12330 lines
436 KiB
XML
12330 lines
436 KiB
XML
<?xml version="1.0" encoding="ISO-8859-1"?>
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<modeling>
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<generator>
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<i name="program" type="string">vasp </i>
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<i name="version" type="string">5.4.4.18Apr17-6-g9f103f2a35 </i>
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<i name="subversion" type="string">(build Aug 01 2017 10:32:50) complex parallel </i>
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<i name="platform" type="string">LinuxIFC </i>
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<i name="date" type="string">2017 12 19 </i>
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<i name="time" type="string">15:22:45 </i>
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</generator>
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<incar>
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<i type="int" name="ISTART"> 0</i>
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<i type="string" name="PREC">normal normal or accurate (medium, h</i>
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<i type="int" name="IALGO"> 48</i>
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<i type="logical" name="LSORBIT"> F </i>
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<i type="int" name="ISPIN"> 1</i>
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<i type="int" name="ICHARG"> 2</i>
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<i type="int" name="INIWAV"> 1</i>
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<i type="int" name="NELM"> 100</i>
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<i type="int" name="NELMDL"> -5</i>
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<i type="int" name="NELMIN"> 2</i>
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<i type="int" name="IBRION"> -1</i>
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<i type="int" name="NFREE"> 0</i>
|
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<i name="EDIFF"> 0.00000100</i>
|
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<i name="EDIFFG"> 0.00100000</i>
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<i type="int" name="NSW"> 0</i>
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<i type="int" name="ISIF"> 2</i>
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<i type="int" name="IWAVPR"> 10</i>
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<i type="int" name="NBLOCK"> 1</i>
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<i type="int" name="KBLOCK"> 1</i>
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<i name="ENCUT"> 600.00000000</i>
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<i name="ENINI"> 600.00000000</i>
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<i name="POTIM"> 0.50000000</i>
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<i name="TEBEG"> 3500.00000000</i>
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<i name="TEEND"> 3500.00000000</i>
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<i name="SMASS"> -3.00000000</i>
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<i name="EMIN"> 10.00000000</i>
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<i name="EMAX"> -10.00000000</i>
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<i name="EFERMI"> 0.00000000</i>
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<i type="int" name="ISMEAR"> 0</i>
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<i name="SIGMA"> 0.10000000</i>
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<i type="int" name="NWRITE"> 2</i>
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<i name="PSTRESS"> 0.00000000</i>
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<i type="logical" name="LWAVE"> T </i>
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<i type="logical" name="LCHARG"> T </i>
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<i type="logical" name="LVTOT"> F </i>
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<i type="logical" name="LVHAR"> F </i>
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<i type="logical" name="LELF"> F </i>
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<v type="int" name="KPOINT_BSE"> -1 0 0 0</v>
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<i type="int" name="NELM"> 100</i>
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<i type="string" name="GGA"> -- GGA type</i>
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<i type="logical" name="LDIPOL"> F </i>
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<i type="logical" name="LMONO"> F </i>
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<i type="int" name="IDIPOL"> 0</i>
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<i name="EPSILON"> 1.00000000</i>
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</incar>
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<structure name="primitive_cell" >
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<crystal>
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<varray name="basis" >
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<v> 3.66961100 0.00000000 0.00000000 </v>
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<v> 0.00000000 3.55744000 0.00000000 </v>
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<v> 0.00000000 0.00000000 3.17678100 </v>
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</varray>
|
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<i name="volume"> 41.47103646 </i>
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<varray name="rec_basis" >
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<v> 0.27250845 0.00000000 0.00000000 </v>
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<v> 0.00000000 0.28110102 0.00000000 </v>
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<v> 0.00000000 0.00000000 0.31478405 </v>
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</varray>
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</crystal>
|
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<varray name="positions" >
|
|
<v> 0.00000000 0.00000000 0.00000000 </v>
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|
<v> 0.00000000 -0.50000000 -0.50000000 </v>
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<v> -0.50000000 0.00000000 -0.50000000 </v>
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<v> -0.50000000 -0.50000000 0.00000000 </v>
|
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</varray>
|
|
</structure>
|
|
<varray name="primitive_index" >
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<v type="int" > 1 </v>
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<v type="int" > 2 </v>
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<v type="int" > 3 </v>
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<v type="int" > 4 </v>
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</varray>
|
|
<kpoints>
|
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<generation param="Monkhorst-Pack">
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<v type="int" name="divisions"> 15 15 15 </v>
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<v name="usershift"> 0.00000000 0.00000000 0.00000000 </v>
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<v name="genvec1"> 0.06666667 0.00000000 0.00000000 </v>
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<v name="genvec2"> 0.00000000 0.06666667 0.00000000 </v>
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<v name="genvec3"> 0.00000000 0.00000000 0.06666667 </v>
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<v name="shift"> 0.00000000 0.00000000 0.00000000 </v>
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</generation>
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<varray name="kpointlist" >
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<v> 0.00000000 0.00000000 0.00000000 </v>
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<v> 0.06666667 0.00000000 0.00000000 </v>
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<v> 0.13333333 0.00000000 0.00000000 </v>
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<v> 0.20000000 0.00000000 0.00000000 </v>
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<v> 0.26666667 0.00000000 0.00000000 </v>
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<v> 0.33333333 0.00000000 0.00000000 </v>
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<v> 0.40000000 0.00000000 0.00000000 </v>
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<v> 0.46666667 0.00000000 0.00000000 </v>
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<v> 0.00000000 0.06666667 0.00000000 </v>
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<v> 0.06666667 0.06666667 0.00000000 </v>
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<v> 0.20000000 0.06666667 0.00000000 </v>
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<v> 0.40000000 0.06666667 0.00000000 </v>
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<v> 0.46666667 0.06666667 0.00000000 </v>
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<v> 0.00000000 0.13333333 0.00000000 </v>
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<v> 0.06666667 0.13333333 0.00000000 </v>
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<v> 0.13333333 0.13333333 0.00000000 </v>
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<v> 0.20000000 0.13333333 0.00000000 </v>
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<v> 0.26666667 0.13333333 0.00000000 </v>
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<v> 0.33333333 0.13333333 0.00000000 </v>
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<v> 0.40000000 0.13333333 0.00000000 </v>
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<v> 0.46666667 0.13333333 0.00000000 </v>
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<v> 0.00000000 0.20000000 0.00000000 </v>
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<v> 0.06666667 0.20000000 0.00000000 </v>
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<v> 0.13333333 0.20000000 0.00000000 </v>
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<v> 0.20000000 0.13333333 0.06666667 </v>
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<v> 0.33333333 0.13333333 0.06666667 </v>
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<rc><c>W </c><c> 1</c></rc>
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<rc><c>Be</c><c> 2</c></rc>
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|
|
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|
|
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|
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|
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|
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<set>
|
|
<rc><c> 1</c><c>W </c><c> 183.85000000</c><c> 14.00000000</c><c> PAW_PBE W_sv_GW 23Mar2010 </c></rc>
|
|
<rc><c> 3</c><c>Be</c><c> 9.01300000</c><c> 4.00000000</c><c> PAW_PBE Be_sv_GW 31Mar2010 </c></rc>
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|
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|
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<time name="total"> 4.31 4.32</time>
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<structure>
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<crystal>
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<v> 3.66961100 0.00000000 0.00000000 </v>
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<v> 0.00000000 3.55744000 0.00000000 </v>
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<v> 0.00000000 0.00000000 3.17678100 </v>
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</varray>
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<v> 0.00000000 0.00000000 0.31478405 </v>
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</structure>
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<v> 0.1 -0.2 -0.3 </v>
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<v> 0.4 -0.5 -0.6 </v>
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</varray>
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<varray name="stress" >
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<v> -214.84833704 0.00000000 0.00000000 </v>
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<v> 0.00000000 -0.00000000 100.18545515 </v>
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</energy>
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<eigenvalues>
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<array>
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<dimension dim="1">band</dimension>
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|
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|
|
<r> 5.6128 1.0000 </r>
|
|
<r> 7.0130 1.0000 </r>
|
|
<r> 7.2261 1.0000 </r>
|
|
<r> 9.0390 0.0000 </r>
|
|
<r> 9.8394 0.0000 </r>
|
|
<r> 11.3191 0.0000 </r>
|
|
<r> 14.0352 0.0000 </r>
|
|
<r> 15.4144 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 6">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4253 1.0000 </r>
|
|
<r> -91.2903 1.0000 </r>
|
|
<r> -65.7471 1.0000 </r>
|
|
<r> -30.0576 1.0000 </r>
|
|
<r> -29.9848 1.0000 </r>
|
|
<r> -29.8076 1.0000 </r>
|
|
<r> -0.8326 1.0000 </r>
|
|
<r> 2.2914 1.0000 </r>
|
|
<r> 4.6917 1.0000 </r>
|
|
<r> 5.3376 1.0000 </r>
|
|
<r> 6.7081 1.0000 </r>
|
|
<r> 7.6717 0.9986 </r>
|
|
<r> 9.0662 0.0000 </r>
|
|
<r> 10.2804 0.0000 </r>
|
|
<r> 11.8535 0.0000 </r>
|
|
<r> 13.4527 0.0000 </r>
|
|
<r> 14.9300 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 7">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4254 1.0000 </r>
|
|
<r> -91.2904 1.0000 </r>
|
|
<r> -65.7470 1.0000 </r>
|
|
<r> -30.0651 1.0000 </r>
|
|
<r> -29.9841 1.0000 </r>
|
|
<r> -29.8068 1.0000 </r>
|
|
<r> -0.3829 1.0000 </r>
|
|
<r> 1.6674 1.0000 </r>
|
|
<r> 4.6772 1.0000 </r>
|
|
<r> 5.1483 1.0000 </r>
|
|
<r> 6.5003 1.0000 </r>
|
|
<r> 8.1260 0.0003 </r>
|
|
<r> 9.0876 0.0000 </r>
|
|
<r> 10.6305 0.0000 </r>
|
|
<r> 12.3305 0.0000 </r>
|
|
<r> 12.9072 0.0000 </r>
|
|
<r> 15.1709 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 8">
|
|
<r> -91.8810 1.0000 </r>
|
|
<r> -91.4260 1.0000 </r>
|
|
<r> -91.2910 1.0000 </r>
|
|
<r> -65.7470 1.0000 </r>
|
|
<r> -30.0692 1.0000 </r>
|
|
<r> -29.9837 1.0000 </r>
|
|
<r> -29.8064 1.0000 </r>
|
|
<r> 0.0259 1.0000 </r>
|
|
<r> 1.1640 1.0000 </r>
|
|
<r> 4.6691 1.0000 </r>
|
|
<r> 5.0521 1.0000 </r>
|
|
<r> 6.3951 1.0000 </r>
|
|
<r> 8.4419 0.0000 </r>
|
|
<r> 9.0994 0.0000 </r>
|
|
<r> 10.8329 0.0000 </r>
|
|
<r> 12.5866 0.0000 </r>
|
|
<r> 12.7497 0.0000 </r>
|
|
<r> 15.0542 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 9">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7478 1.0000 </r>
|
|
<r> -30.0213 1.0000 </r>
|
|
<r> -29.9915 1.0000 </r>
|
|
<r> -29.8110 1.0000 </r>
|
|
<r> -1.9529 1.0000 </r>
|
|
<r> 4.3901 1.0000 </r>
|
|
<r> 4.7755 1.0000 </r>
|
|
<r> 6.3415 1.0000 </r>
|
|
<r> 6.9388 1.0000 </r>
|
|
<r> 8.3265 0.0000 </r>
|
|
<r> 8.4311 0.0000 </r>
|
|
<r> 8.8898 0.0000 </r>
|
|
<r> 9.6264 0.0000 </r>
|
|
<r> 13.5937 0.0000 </r>
|
|
<r> 14.7192 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 10">
|
|
<r> -91.8807 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7477 1.0000 </r>
|
|
<r> -30.0234 1.0000 </r>
|
|
<r> -29.9912 1.0000 </r>
|
|
<r> -29.8108 1.0000 </r>
|
|
<r> -1.9023 1.0000 </r>
|
|
<r> 4.3246 1.0000 </r>
|
|
<r> 4.7293 1.0000 </r>
|
|
<r> 6.2087 1.0000 </r>
|
|
<r> 6.9819 1.0000 </r>
|
|
<r> 8.2546 0.0000 </r>
|
|
<r> 8.4565 0.0000 </r>
|
|
<r> 8.8007 0.0000 </r>
|
|
<r> 9.9214 0.0000 </r>
|
|
<r> 13.6485 0.0000 </r>
|
|
<r> 14.6504 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 11">
|
|
<r> -91.8811 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7476 1.0000 </r>
|
|
<r> -30.0294 1.0000 </r>
|
|
<r> -29.9906 1.0000 </r>
|
|
<r> -29.8102 1.0000 </r>
|
|
<r> -1.7528 1.0000 </r>
|
|
<r> 4.0516 1.0000 </r>
|
|
<r> 4.6663 1.0000 </r>
|
|
<r> 5.9785 1.0000 </r>
|
|
<r> 7.0276 1.0000 </r>
|
|
<r> 7.8427 0.7144 </r>
|
|
<r> 8.7719 0.0000 </r>
|
|
<r> 8.8056 0.0000 </r>
|
|
<r> 10.4508 0.0000 </r>
|
|
<r> 14.3989 0.0000 </r>
|
|
<r> 15.1127 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 12">
|
|
<r> -91.8807 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7474 1.0000 </r>
|
|
<r> -30.0379 1.0000 </r>
|
|
<r> -29.9898 1.0000 </r>
|
|
<r> -29.8093 1.0000 </r>
|
|
<r> -1.5097 1.0000 </r>
|
|
<r> 3.5587 1.0000 </r>
|
|
<r> 4.6450 1.0000 </r>
|
|
<r> 5.7408 1.0000 </r>
|
|
<r> 7.1387 1.0000 </r>
|
|
<r> 7.4085 1.0000 </r>
|
|
<r> 8.7921 0.0000 </r>
|
|
<r> 9.2640 0.0000 </r>
|
|
<r> 11.0130 0.0000 </r>
|
|
<r> 14.0760 0.0000 </r>
|
|
<r> 15.2142 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 13">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4252 1.0000 </r>
|
|
<r> -91.2903 1.0000 </r>
|
|
<r> -65.7472 1.0000 </r>
|
|
<r> -30.0478 1.0000 </r>
|
|
<r> -29.9888 1.0000 </r>
|
|
<r> -29.8083 1.0000 </r>
|
|
<r> -1.1815 1.0000 </r>
|
|
<r> 2.9494 1.0000 </r>
|
|
<r> 4.6412 1.0000 </r>
|
|
<r> 5.4944 1.0000 </r>
|
|
<r> 7.0285 1.0000 </r>
|
|
<r> 7.3926 1.0000 </r>
|
|
<r> 8.8271 0.0000 </r>
|
|
<r> 9.7408 0.0000 </r>
|
|
<r> 11.5692 0.0000 </r>
|
|
<r> 13.8620 0.0000 </r>
|
|
<r> 14.8771 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 14">
|
|
<r> -91.8802 1.0000 </r>
|
|
<r> -91.4251 1.0000 </r>
|
|
<r> -91.2901 1.0000 </r>
|
|
<r> -65.7471 1.0000 </r>
|
|
<r> -30.0573 1.0000 </r>
|
|
<r> -29.9878 1.0000 </r>
|
|
<r> -29.8073 1.0000 </r>
|
|
<r> -0.7815 1.0000 </r>
|
|
<r> 2.3062 1.0000 </r>
|
|
<r> 4.6436 1.0000 </r>
|
|
<r> 5.2669 1.0000 </r>
|
|
<r> 6.7293 1.0000 </r>
|
|
<r> 7.7653 0.9516 </r>
|
|
<r> 8.8638 0.0000 </r>
|
|
<r> 10.1806 0.0000 </r>
|
|
<r> 12.1051 0.0000 </r>
|
|
<r> 13.3952 0.0000 </r>
|
|
<r> 14.8765 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 15">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7470 1.0000 </r>
|
|
<r> -30.0648 1.0000 </r>
|
|
<r> -29.9871 1.0000 </r>
|
|
<r> -29.8065 1.0000 </r>
|
|
<r> -0.3310 1.0000 </r>
|
|
<r> 1.6815 1.0000 </r>
|
|
<r> 4.6514 1.0000 </r>
|
|
<r> 5.0908 1.0000 </r>
|
|
<r> 6.5240 1.0000 </r>
|
|
<r> 8.1695 0.0000 </r>
|
|
<r> 8.8934 0.0000 </r>
|
|
<r> 10.5364 0.0000 </r>
|
|
<r> 12.5997 0.0000 </r>
|
|
<r> 12.8998 0.0000 </r>
|
|
<r> 15.5154 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 16">
|
|
<r> -91.8813 1.0000 </r>
|
|
<r> -91.4263 1.0000 </r>
|
|
<r> -91.2913 1.0000 </r>
|
|
<r> -65.7469 1.0000 </r>
|
|
<r> -30.0689 1.0000 </r>
|
|
<r> -29.9867 1.0000 </r>
|
|
<r> -29.8062 1.0000 </r>
|
|
<r> 0.0847 1.0000 </r>
|
|
<r> 1.1741 1.0000 </r>
|
|
<r> 4.6613 1.0000 </r>
|
|
<r> 4.9916 1.0000 </r>
|
|
<r> 6.4197 1.0000 </r>
|
|
<r> 8.4555 0.0000 </r>
|
|
<r> 8.9099 0.0000 </r>
|
|
<r> 10.7473 0.0000 </r>
|
|
<r> 12.4480 0.0000 </r>
|
|
<r> 12.9600 0.0000 </r>
|
|
<r> 14.8774 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 17">
|
|
<r> -91.8810 1.0000 </r>
|
|
<r> -91.4258 1.0000 </r>
|
|
<r> -91.2908 1.0000 </r>
|
|
<r> -65.7476 1.0000 </r>
|
|
<r> -30.0204 1.0000 </r>
|
|
<r> -29.9998 1.0000 </r>
|
|
<r> -29.8102 1.0000 </r>
|
|
<r> -1.7946 1.0000 </r>
|
|
<r> 4.2094 1.0000 </r>
|
|
<r> 4.6772 1.0000 </r>
|
|
<r> 5.9995 1.0000 </r>
|
|
<r> 6.9517 1.0000 </r>
|
|
<r> 7.8739 0.5498 </r>
|
|
<r> 8.7041 0.0000 </r>
|
|
<r> 8.9110 0.0000 </r>
|
|
<r> 10.2112 0.0000 </r>
|
|
<r> 14.2659 0.0000 </r>
|
|
<r> 14.8795 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 18">
|
|
<r> -91.8814 1.0000 </r>
|
|
<r> -91.4263 1.0000 </r>
|
|
<r> -91.2912 1.0000 </r>
|
|
<r> -65.7476 1.0000 </r>
|
|
<r> -30.0226 1.0000 </r>
|
|
<r> -29.9996 1.0000 </r>
|
|
<r> -29.8099 1.0000 </r>
|
|
<r> -1.7450 1.0000 </r>
|
|
<r> 4.2129 1.0000 </r>
|
|
<r> 4.5661 1.0000 </r>
|
|
<r> 5.8355 1.0000 </r>
|
|
<r> 7.1501 1.0000 </r>
|
|
<r> 7.8382 0.7357 </r>
|
|
<r> 8.7026 0.0000 </r>
|
|
<r> 8.7336 0.0000 </r>
|
|
<r> 10.4623 0.0000 </r>
|
|
<r> 13.8631 0.0000 </r>
|
|
<r> 14.8598 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 19">
|
|
<r> -91.8810 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7475 1.0000 </r>
|
|
<r> -30.0285 1.0000 </r>
|
|
<r> -29.9991 1.0000 </r>
|
|
<r> -29.8093 1.0000 </r>
|
|
<r> -1.5968 1.0000 </r>
|
|
<r> 4.0989 1.0000 </r>
|
|
<r> 4.3522 1.0000 </r>
|
|
<r> 5.6129 1.0000 </r>
|
|
<r> 7.4328 1.0000 </r>
|
|
<r> 7.6870 0.9972 </r>
|
|
<r> 8.4839 0.0000 </r>
|
|
<r> 8.7940 0.0000 </r>
|
|
<r> 10.9754 0.0000 </r>
|
|
<r> 14.1029 0.0000 </r>
|
|
<r> 15.2039 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 20">
|
|
<r> -91.8810 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7473 1.0000 </r>
|
|
<r> -30.0371 1.0000 </r>
|
|
<r> -29.9982 1.0000 </r>
|
|
<r> -29.8084 1.0000 </r>
|
|
<r> -1.3533 1.0000 </r>
|
|
<r> 3.5980 1.0000 </r>
|
|
<r> 4.3620 1.0000 </r>
|
|
<r> 5.4512 1.0000 </r>
|
|
<r> 7.3952 1.0000 </r>
|
|
<r> 7.5979 1.0000 </r>
|
|
<r> 8.3845 0.0000 </r>
|
|
<r> 9.0910 0.0000 </r>
|
|
<r> 11.5502 0.0000 </r>
|
|
<r> 14.7238 0.0000 </r>
|
|
<r> 15.9954 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 21">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4254 1.0000 </r>
|
|
<r> -91.2904 1.0000 </r>
|
|
<r> -65.7471 1.0000 </r>
|
|
<r> -30.0470 1.0000 </r>
|
|
<r> -29.9972 1.0000 </r>
|
|
<r> -29.8074 1.0000 </r>
|
|
<r> -1.0273 1.0000 </r>
|
|
<r> 2.9802 1.0000 </r>
|
|
<r> 4.4181 1.0000 </r>
|
|
<r> 5.2968 1.0000 </r>
|
|
<r> 7.0683 1.0000 </r>
|
|
<r> 7.7534 0.9663 </r>
|
|
<r> 8.3858 0.0000 </r>
|
|
<r> 9.5100 0.0000 </r>
|
|
<r> 12.1157 0.0000 </r>
|
|
<r> 13.7017 0.0000 </r>
|
|
<r> 16.0755 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 22">
|
|
<r> -91.8811 1.0000 </r>
|
|
<r> -91.4260 1.0000 </r>
|
|
<r> -91.2911 1.0000 </r>
|
|
<r> -65.7470 1.0000 </r>
|
|
<r> -30.0566 1.0000 </r>
|
|
<r> -29.9963 1.0000 </r>
|
|
<r> -29.8065 1.0000 </r>
|
|
<r> -0.6301 1.0000 </r>
|
|
<r> 2.3392 1.0000 </r>
|
|
<r> 4.4826 1.0000 </r>
|
|
<r> 5.1281 1.0000 </r>
|
|
<r> 6.7895 1.0000 </r>
|
|
<r> 7.9927 0.0600 </r>
|
|
<r> 8.4203 0.0000 </r>
|
|
<r> 9.9342 0.0000 </r>
|
|
<r> 12.6686 0.0000 </r>
|
|
<r> 14.6904 0.0000 </r>
|
|
<r> 16.3415 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 23">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7468 1.0000 </r>
|
|
<r> -30.0640 1.0000 </r>
|
|
<r> -29.9955 1.0000 </r>
|
|
<r> -29.8057 1.0000 </r>
|
|
<r> -0.1783 1.0000 </r>
|
|
<r> 1.7219 1.0000 </r>
|
|
<r> 4.5543 1.0000 </r>
|
|
<r> 4.9634 1.0000 </r>
|
|
<r> 6.5924 1.0000 </r>
|
|
<r> 8.2811 0.0000 </r>
|
|
<r> 8.4564 0.0000 </r>
|
|
<r> 10.2930 0.0000 </r>
|
|
<r> 12.6655 0.0000 </r>
|
|
<r> 13.2024 0.0000 </r>
|
|
<r> 15.4432 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 24">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4253 1.0000 </r>
|
|
<r> -91.2903 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0681 1.0000 </r>
|
|
<r> -29.9951 1.0000 </r>
|
|
<r> -29.8053 1.0000 </r>
|
|
<r> 0.2566 1.0000 </r>
|
|
<r> 1.2033 1.0000 </r>
|
|
<r> 4.6272 1.0000 </r>
|
|
<r> 4.8360 1.0000 </r>
|
|
<r> 6.4912 1.0000 </r>
|
|
<r> 8.4783 0.0000 </r>
|
|
<r> 8.4935 0.0000 </r>
|
|
<r> 10.5194 0.0000 </r>
|
|
<r> 12.2814 0.0000 </r>
|
|
<r> 13.6544 0.0000 </r>
|
|
<r> 14.8524 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 25">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2907 1.0000 </r>
|
|
<r> -65.7473 1.0000 </r>
|
|
<r> -30.0191 1.0000 </r>
|
|
<r> -30.0121 1.0000 </r>
|
|
<r> -29.8089 1.0000 </r>
|
|
<r> -1.5376 1.0000 </r>
|
|
<r> 3.7788 1.0000 </r>
|
|
<r> 4.6305 1.0000 </r>
|
|
<r> 5.6232 1.0000 </r>
|
|
<r> 7.1210 1.0000 </r>
|
|
<r> 7.3732 1.0000 </r>
|
|
<r> 8.9428 0.0000 </r>
|
|
<r> 9.1443 0.0000 </r>
|
|
<r> 10.7771 0.0000 </r>
|
|
<r> 14.0933 0.0000 </r>
|
|
<r> 15.6423 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 26">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4258 1.0000 </r>
|
|
<r> -91.2908 1.0000 </r>
|
|
<r> -65.7473 1.0000 </r>
|
|
<r> -30.0213 1.0000 </r>
|
|
<r> -30.0119 1.0000 </r>
|
|
<r> -29.8086 1.0000 </r>
|
|
<r> -1.4880 1.0000 </r>
|
|
<r> 3.7961 1.0000 </r>
|
|
<r> 4.5072 1.0000 </r>
|
|
<r> 5.5227 1.0000 </r>
|
|
<r> 7.3126 1.0000 </r>
|
|
<r> 7.3745 1.0000 </r>
|
|
<r> 8.7532 0.0000 </r>
|
|
<r> 9.0824 0.0000 </r>
|
|
<r> 11.0146 0.0000 </r>
|
|
<r> 13.9004 0.0000 </r>
|
|
<r> 15.4021 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 27">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7472 1.0000 </r>
|
|
<r> -30.0271 1.0000 </r>
|
|
<r> -30.0113 1.0000 </r>
|
|
<r> -29.8080 1.0000 </r>
|
|
<r> -1.3394 1.0000 </r>
|
|
<r> 3.8230 1.0000 </r>
|
|
<r> 4.1696 1.0000 </r>
|
|
<r> 5.3756 1.0000 </r>
|
|
<r> 7.3639 1.0000 </r>
|
|
<r> 7.6935 0.9963 </r>
|
|
<r> 8.3844 0.0000 </r>
|
|
<r> 8.9738 0.0000 </r>
|
|
<r> 11.5333 0.0000 </r>
|
|
<r> 14.0395 0.0000 </r>
|
|
<r> 15.4431 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 28">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7470 1.0000 </r>
|
|
<r> -30.0358 1.0000 </r>
|
|
<r> -30.0105 1.0000 </r>
|
|
<r> -29.8072 1.0000 </r>
|
|
<r> -1.1004 1.0000 </r>
|
|
<r> 3.5412 1.0000 </r>
|
|
<r> 4.0159 1.0000 </r>
|
|
<r> 5.2627 1.0000 </r>
|
|
<r> 7.2896 1.0000 </r>
|
|
<r> 7.9988 0.0504 </r>
|
|
<r> 8.0788 0.0028 </r>
|
|
<r> 9.0073 0.0000 </r>
|
|
<r> 12.1244 0.0000 </r>
|
|
<r> 13.7520 0.0000 </r>
|
|
<r> 16.7152 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 29">
|
|
<r> -91.8807 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7468 1.0000 </r>
|
|
<r> -30.0459 1.0000 </r>
|
|
<r> -30.0096 1.0000 </r>
|
|
<r> -29.8061 1.0000 </r>
|
|
<r> -0.7790 1.0000 </r>
|
|
<r> 2.9721 1.0000 </r>
|
|
<r> 4.1076 1.0000 </r>
|
|
<r> 5.1462 1.0000 </r>
|
|
<r> 7.1030 1.0000 </r>
|
|
<r> 7.9500 0.1708 </r>
|
|
<r> 8.1422 0.0001 </r>
|
|
<r> 9.2822 0.0000 </r>
|
|
<r> 12.7110 0.0000 </r>
|
|
<r> 13.3886 0.0000 </r>
|
|
<r> 15.6710 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 30">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4258 1.0000 </r>
|
|
<r> -91.2908 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0554 1.0000 </r>
|
|
<r> -30.0087 1.0000 </r>
|
|
<r> -29.8053 1.0000 </r>
|
|
<r> -0.3863 1.0000 </r>
|
|
<r> 2.3710 1.0000 </r>
|
|
<r> 4.2299 1.0000 </r>
|
|
<r> 5.0035 1.0000 </r>
|
|
<r> 6.8764 1.0000 </r>
|
|
<r> 7.9435 0.1954 </r>
|
|
<r> 8.2650 0.0000 </r>
|
|
<r> 9.6513 0.0000 </r>
|
|
<r> 12.8907 0.0000 </r>
|
|
<r> 13.2663 0.0000 </r>
|
|
<r> 15.5200 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 31">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7465 1.0000 </r>
|
|
<r> -30.0629 1.0000 </r>
|
|
<r> -30.0079 1.0000 </r>
|
|
<r> -29.8045 1.0000 </r>
|
|
<r> 0.0623 1.0000 </r>
|
|
<r> 1.7821 1.0000 </r>
|
|
<r> 4.3653 1.0000 </r>
|
|
<r> 4.8399 1.0000 </r>
|
|
<r> 6.6971 1.0000 </r>
|
|
<r> 7.9722 0.1031 </r>
|
|
<r> 8.4241 0.0000 </r>
|
|
<r> 9.9878 0.0000 </r>
|
|
<r> 12.3795 0.0000 </r>
|
|
<r> 13.7744 0.0000 </r>
|
|
<r> 15.4918 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 32">
|
|
<r> -91.8802 1.0000 </r>
|
|
<r> -91.4251 1.0000 </r>
|
|
<r> -91.2901 1.0000 </r>
|
|
<r> -65.7464 1.0000 </r>
|
|
<r> -30.0669 1.0000 </r>
|
|
<r> -30.0075 1.0000 </r>
|
|
<r> -29.8040 1.0000 </r>
|
|
<r> 0.5200 1.0000 </r>
|
|
<r> 1.2543 1.0000 </r>
|
|
<r> 4.5122 1.0000 </r>
|
|
<r> 4.6723 1.0000 </r>
|
|
<r> 6.6015 1.0000 </r>
|
|
<r> 7.9946 0.0570 </r>
|
|
<r> 8.5494 0.0000 </r>
|
|
<r> 10.2089 0.0000 </r>
|
|
<r> 12.0275 0.0000 </r>
|
|
<r> 14.4133 0.0000 </r>
|
|
<r> 15.6167 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 33">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2908 1.0000 </r>
|
|
<r> -65.7470 1.0000 </r>
|
|
<r> -30.0263 1.0000 </r>
|
|
<r> -30.0177 1.0000 </r>
|
|
<r> -29.8073 1.0000 </r>
|
|
<r> -1.1910 1.0000 </r>
|
|
<r> 3.1811 1.0000 </r>
|
|
<r> 4.6122 1.0000 </r>
|
|
<r> 5.2814 1.0000 </r>
|
|
<r> 6.9503 1.0000 </r>
|
|
<r> 7.4746 1.0000 </r>
|
|
<r> 8.9798 0.0000 </r>
|
|
<r> 9.5814 0.0000 </r>
|
|
<r> 11.3283 0.0000 </r>
|
|
<r> 13.6460 0.0000 </r>
|
|
<r> 15.5948 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 34">
|
|
<r> -91.8811 1.0000 </r>
|
|
<r> -91.4260 1.0000 </r>
|
|
<r> -91.2910 1.0000 </r>
|
|
<r> -65.7470 1.0000 </r>
|
|
<r> -30.0261 1.0000 </r>
|
|
<r> -30.0198 1.0000 </r>
|
|
<r> -29.8072 1.0000 </r>
|
|
<r> -1.1414 1.0000 </r>
|
|
<r> 3.1889 1.0000 </r>
|
|
<r> 4.5083 1.0000 </r>
|
|
<r> 5.2434 1.0000 </r>
|
|
<r> 6.9639 1.0000 </r>
|
|
<r> 7.6097 0.9999 </r>
|
|
<r> 8.7962 0.0000 </r>
|
|
<r> 9.4992 0.0000 </r>
|
|
<r> 11.5568 0.0000 </r>
|
|
<r> 13.6608 0.0000 </r>
|
|
<r> 15.2250 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 35">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4258 1.0000 </r>
|
|
<r> -91.2908 1.0000 </r>
|
|
<r> -65.7469 1.0000 </r>
|
|
<r> -30.0257 1.0000 </r>
|
|
<r> -30.0255 1.0000 </r>
|
|
<r> -29.8066 1.0000 </r>
|
|
<r> -0.9957 1.0000 </r>
|
|
<r> 3.1942 1.0000 </r>
|
|
<r> 4.2418 1.0000 </r>
|
|
<r> 5.1757 1.0000 </r>
|
|
<r> 7.0004 1.0000 </r>
|
|
<r> 7.9287 0.2579 </r>
|
|
<r> 8.4011 0.0000 </r>
|
|
<r> 9.3080 0.0000 </r>
|
|
<r> 12.0788 0.0000 </r>
|
|
<r> 13.5578 0.0000 </r>
|
|
<r> 15.2519 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 36">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0345 1.0000 </r>
|
|
<r> -30.0247 1.0000 </r>
|
|
<r> -29.8057 1.0000 </r>
|
|
<r> -0.7602 1.0000 </r>
|
|
<r> 3.1062 1.0000 </r>
|
|
<r> 3.9790 1.0000 </r>
|
|
<r> 5.1030 1.0000 </r>
|
|
<r> 7.0431 1.0000 </r>
|
|
<r> 7.9901 0.0646 </r>
|
|
<r> 8.2728 0.0000 </r>
|
|
<r> 9.1426 0.0000 </r>
|
|
<r> 12.6730 0.0000 </r>
|
|
<r> 13.3289 0.0000 </r>
|
|
<r> 15.7896 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 37">
|
|
<r> -91.8802 1.0000 </r>
|
|
<r> -91.4251 1.0000 </r>
|
|
<r> -91.2901 1.0000 </r>
|
|
<r> -65.7465 1.0000 </r>
|
|
<r> -30.0445 1.0000 </r>
|
|
<r> -30.0237 1.0000 </r>
|
|
<r> -29.8047 1.0000 </r>
|
|
<r> -0.4475 1.0000 </r>
|
|
<r> 2.8028 1.0000 </r>
|
|
<r> 3.9098 1.0000 </r>
|
|
<r> 5.0079 1.0000 </r>
|
|
<r> 7.0489 1.0000 </r>
|
|
<r> 7.6784 0.9981 </r>
|
|
<r> 8.4720 0.0000 </r>
|
|
<r> 9.1821 0.0000 </r>
|
|
<r> 12.9563 0.0000 </r>
|
|
<r> 13.5965 0.0000 </r>
|
|
<r> 17.2388 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 38">
|
|
<r> -91.8802 1.0000 </r>
|
|
<r> -91.4252 1.0000 </r>
|
|
<r> -91.2902 1.0000 </r>
|
|
<r> -65.7463 1.0000 </r>
|
|
<r> -30.0541 1.0000 </r>
|
|
<r> -30.0228 1.0000 </r>
|
|
<r> -29.8038 1.0000 </r>
|
|
<r> -0.0679 1.0000 </r>
|
|
<r> 2.3493 1.0000 </r>
|
|
<r> 3.9944 1.0000 </r>
|
|
<r> 4.8777 1.0000 </r>
|
|
<r> 6.9573 1.0000 </r>
|
|
<r> 7.5462 1.0000 </r>
|
|
<r> 8.5230 0.0000 </r>
|
|
<r> 9.4304 0.0000 </r>
|
|
<r> 12.4873 0.0000 </r>
|
|
<r> 13.6262 0.0000 </r>
|
|
<r> 16.0306 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 39">
|
|
<r> -91.8797 1.0000 </r>
|
|
<r> -91.4246 1.0000 </r>
|
|
<r> -91.2897 1.0000 </r>
|
|
<r> -65.7461 1.0000 </r>
|
|
<r> -30.0615 1.0000 </r>
|
|
<r> -30.0221 1.0000 </r>
|
|
<r> -29.8030 1.0000 </r>
|
|
<r> 0.3633 1.0000 </r>
|
|
<r> 1.8487 1.0000 </r>
|
|
<r> 4.1415 1.0000 </r>
|
|
<r> 4.7166 1.0000 </r>
|
|
<r> 6.8214 1.0000 </r>
|
|
<r> 7.5399 1.0000 </r>
|
|
<r> 8.5695 0.0000 </r>
|
|
<r> 9.7014 0.0000 </r>
|
|
<r> 12.0422 0.0000 </r>
|
|
<r> 13.9068 0.0000 </r>
|
|
<r> 16.1837 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 40">
|
|
<r> -91.8795 1.0000 </r>
|
|
<r> -91.4245 1.0000 </r>
|
|
<r> -91.2895 1.0000 </r>
|
|
<r> -65.7461 1.0000 </r>
|
|
<r> -30.0656 1.0000 </r>
|
|
<r> -30.0217 1.0000 </r>
|
|
<r> -29.8026 1.0000 </r>
|
|
<r> 0.8283 1.0000 </r>
|
|
<r> 1.3477 1.0000 </r>
|
|
<r> 4.3004 1.0000 </r>
|
|
<r> 4.5506 1.0000 </r>
|
|
<r> 6.7365 1.0000 </r>
|
|
<r> 7.5567 1.0000 </r>
|
|
<r> 8.6157 0.0000 </r>
|
|
<r> 9.8832 0.0000 </r>
|
|
<r> 11.7458 0.0000 </r>
|
|
<r> 14.0429 0.0000 </r>
|
|
<r> 16.0539 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 41">
|
|
<r> -91.8811 1.0000 </r>
|
|
<r> -91.4261 1.0000 </r>
|
|
<r> -91.2910 1.0000 </r>
|
|
<r> -65.7468 1.0000 </r>
|
|
<r> -30.0398 1.0000 </r>
|
|
<r> -30.0163 1.0000 </r>
|
|
<r> -29.8059 1.0000 </r>
|
|
<r> -0.7675 1.0000 </r>
|
|
<r> 2.5196 1.0000 </r>
|
|
<r> 4.5999 1.0000 </r>
|
|
<r> 5.0061 1.0000 </r>
|
|
<r> 6.6208 1.0000 </r>
|
|
<r> 7.9708 0.1066 </r>
|
|
<r> 9.0157 0.0000 </r>
|
|
<r> 9.9775 0.0000 </r>
|
|
<r> 11.8614 0.0000 </r>
|
|
<r> 13.1993 0.0000 </r>
|
|
<r> 15.3650 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 42">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0395 1.0000 </r>
|
|
<r> -30.0184 1.0000 </r>
|
|
<r> -29.8057 1.0000 </r>
|
|
<r> -0.7188 1.0000 </r>
|
|
<r> 2.5262 1.0000 </r>
|
|
<r> 4.5193 1.0000 </r>
|
|
<r> 4.9986 1.0000 </r>
|
|
<r> 6.6392 1.0000 </r>
|
|
<r> 8.0523 0.0083 </r>
|
|
<r> 8.8426 0.0000 </r>
|
|
<r> 9.8894 0.0000 </r>
|
|
<r> 12.0868 0.0000 </r>
|
|
<r> 13.1663 0.0000 </r>
|
|
<r> 16.1220 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 43">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4258 1.0000 </r>
|
|
<r> -91.2908 1.0000 </r>
|
|
<r> -65.7466 1.0000 </r>
|
|
<r> -30.0390 1.0000 </r>
|
|
<r> -30.0243 1.0000 </r>
|
|
<r> -29.8052 1.0000 </r>
|
|
<r> -0.5758 1.0000 </r>
|
|
<r> 2.5363 1.0000 </r>
|
|
<r> 4.3168 1.0000 </r>
|
|
<r> 4.9744 1.0000 </r>
|
|
<r> 6.6919 1.0000 </r>
|
|
<r> 8.2598 0.0000 </r>
|
|
<r> 8.4520 0.0000 </r>
|
|
<r> 9.6694 0.0000 </r>
|
|
<r> 12.6304 0.0000 </r>
|
|
<r> 13.0732 0.0000 </r>
|
|
<r> 15.6443 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 44">
|
|
<r> -91.8811 1.0000 </r>
|
|
<r> -91.4261 1.0000 </r>
|
|
<r> -91.2911 1.0000 </r>
|
|
<r> -65.7465 1.0000 </r>
|
|
<r> -30.0382 1.0000 </r>
|
|
<r> -30.0332 1.0000 </r>
|
|
<r> -29.8043 1.0000 </r>
|
|
<r> -0.3483 1.0000 </r>
|
|
<r> 2.5183 1.0000 </r>
|
|
<r> 4.0832 1.0000 </r>
|
|
<r> 4.9265 1.0000 </r>
|
|
<r> 6.7709 1.0000 </r>
|
|
<r> 8.0186 0.0274 </r>
|
|
<r> 8.5126 0.0000 </r>
|
|
<r> 9.4183 0.0000 </r>
|
|
<r> 12.8043 0.0000 </r>
|
|
<r> 13.1910 0.0000 </r>
|
|
<r> 15.7181 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 45">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7462 1.0000 </r>
|
|
<r> -30.0432 1.0000 </r>
|
|
<r> -30.0373 1.0000 </r>
|
|
<r> -29.8034 1.0000 </r>
|
|
<r> -0.0478 1.0000 </r>
|
|
<r> 2.4216 1.0000 </r>
|
|
<r> 3.9190 1.0000 </r>
|
|
<r> 4.8440 1.0000 </r>
|
|
<r> 6.8610 1.0000 </r>
|
|
<r> 7.6333 0.9998 </r>
|
|
<r> 8.7054 0.0000 </r>
|
|
<r> 9.2656 0.0000 </r>
|
|
<r> 12.4562 0.0000 </r>
|
|
<r> 13.6001 0.0000 </r>
|
|
<r> 16.2032 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 46">
|
|
<r> -91.8799 1.0000 </r>
|
|
<r> -91.4249 1.0000 </r>
|
|
<r> -91.2899 1.0000 </r>
|
|
<r> -65.7460 1.0000 </r>
|
|
<r> -30.0528 1.0000 </r>
|
|
<r> -30.0364 1.0000 </r>
|
|
<r> -29.8024 1.0000 </r>
|
|
<r> 0.3045 1.0000 </r>
|
|
<r> 2.2066 1.0000 </r>
|
|
<r> 3.8869 1.0000 </r>
|
|
<r> 4.7195 1.0000 </r>
|
|
<r> 6.9324 1.0000 </r>
|
|
<r> 7.3479 1.0000 </r>
|
|
<r> 8.7335 0.0000 </r>
|
|
<r> 9.3281 0.0000 </r>
|
|
<r> 12.0629 0.0000 </r>
|
|
<r> 13.7569 0.0000 </r>
|
|
<r> 16.5710 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 47">
|
|
<r> -91.8798 1.0000 </r>
|
|
<r> -91.4248 1.0000 </r>
|
|
<r> -91.2898 1.0000 </r>
|
|
<r> -65.7459 1.0000 </r>
|
|
<r> -30.0602 1.0000 </r>
|
|
<r> -30.0357 1.0000 </r>
|
|
<r> -29.8017 1.0000 </r>
|
|
<r> 0.6908 1.0000 </r>
|
|
<r> 1.8937 1.0000 </r>
|
|
<r> 3.9664 1.0000 </r>
|
|
<r> 4.5594 1.0000 </r>
|
|
<r> 6.9277 1.0000 </r>
|
|
<r> 7.2186 1.0000 </r>
|
|
<r> 8.6985 0.0000 </r>
|
|
<r> 9.4867 0.0000 </r>
|
|
<r> 11.7099 0.0000 </r>
|
|
<r> 13.7542 0.0000 </r>
|
|
<r> 16.7032 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 48">
|
|
<r> -91.8786 1.0000 </r>
|
|
<r> -91.4236 1.0000 </r>
|
|
<r> -91.2886 1.0000 </r>
|
|
<r> -65.7457 1.0000 </r>
|
|
<r> -30.0642 1.0000 </r>
|
|
<r> -30.0352 1.0000 </r>
|
|
<r> -29.8012 1.0000 </r>
|
|
<r> 1.0768 1.0000 </r>
|
|
<r> 1.5402 1.0000 </r>
|
|
<r> 4.0958 1.0000 </r>
|
|
<r> 4.3989 1.0000 </r>
|
|
<r> 6.8746 1.0000 </r>
|
|
<r> 7.2086 1.0000 </r>
|
|
<r> 8.6828 0.0000 </r>
|
|
<r> 9.6000 0.0000 </r>
|
|
<r> 11.4903 0.0000 </r>
|
|
<r> 13.7171 0.0000 </r>
|
|
<r> 16.6030 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 49">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7465 1.0000 </r>
|
|
<r> -30.0502 1.0000 </r>
|
|
<r> -30.0152 1.0000 </r>
|
|
<r> -29.8048 1.0000 </r>
|
|
<r> -0.2969 1.0000 </r>
|
|
<r> 1.8722 1.0000 </r>
|
|
<r> 4.5904 1.0000 </r>
|
|
<r> 4.8147 1.0000 </r>
|
|
<r> 6.3956 1.0000 </r>
|
|
<r> 8.5207 0.0000 </r>
|
|
<r> 9.0442 0.0000 </r>
|
|
<r> 10.2923 0.0000 </r>
|
|
<r> 12.3631 0.0000 </r>
|
|
<r> 12.6799 0.0000 </r>
|
|
<r> 15.4633 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 50">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7465 1.0000 </r>
|
|
<r> -30.0501 1.0000 </r>
|
|
<r> -30.0173 1.0000 </r>
|
|
<r> -29.8046 1.0000 </r>
|
|
<r> -0.2476 1.0000 </r>
|
|
<r> 1.8793 1.0000 </r>
|
|
<r> 4.5376 1.0000 </r>
|
|
<r> 4.8080 1.0000 </r>
|
|
<r> 6.4159 1.0000 </r>
|
|
<r> 8.5593 0.0000 </r>
|
|
<r> 8.8804 0.0000 </r>
|
|
<r> 10.2052 0.0000 </r>
|
|
<r> 12.5854 0.0000 </r>
|
|
<r> 12.5895 0.0000 </r>
|
|
<r> 14.7751 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 51">
|
|
<r> -91.8814 1.0000 </r>
|
|
<r> -91.4264 1.0000 </r>
|
|
<r> -91.2914 1.0000 </r>
|
|
<r> -65.7464 1.0000 </r>
|
|
<r> -30.0496 1.0000 </r>
|
|
<r> -30.0233 1.0000 </r>
|
|
<r> -29.8041 1.0000 </r>
|
|
<r> -0.1045 1.0000 </r>
|
|
<r> 1.8964 1.0000 </r>
|
|
<r> 4.3983 1.0000 </r>
|
|
<r> 4.7846 1.0000 </r>
|
|
<r> 6.4746 1.0000 </r>
|
|
<r> 8.5014 0.0000 </r>
|
|
<r> 8.6596 0.0000 </r>
|
|
<r> 9.9796 0.0000 </r>
|
|
<r> 12.4726 0.0000 </r>
|
|
<r> 13.1496 0.0000 </r>
|
|
<r> 15.1815 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 52">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2908 1.0000 </r>
|
|
<r> -65.7462 1.0000 </r>
|
|
<r> -30.0487 1.0000 </r>
|
|
<r> -30.0321 1.0000 </r>
|
|
<r> -29.8032 1.0000 </r>
|
|
<r> 0.1204 1.0000 </r>
|
|
<r> 1.9197 1.0000 </r>
|
|
<r> 4.2177 1.0000 </r>
|
|
<r> 4.7361 1.0000 </r>
|
|
<r> 6.5646 1.0000 </r>
|
|
<r> 8.0702 0.0040 </r>
|
|
<r> 8.7844 0.0000 </r>
|
|
<r> 9.6958 0.0000 </r>
|
|
<r> 12.2586 0.0000 </r>
|
|
<r> 13.7021 0.0000 </r>
|
|
<r> 15.4427 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 53">
|
|
<r> -91.8807 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2907 1.0000 </r>
|
|
<r> -65.7460 1.0000 </r>
|
|
<r> -30.0478 1.0000 </r>
|
|
<r> -30.0422 1.0000 </r>
|
|
<r> -29.8023 1.0000 </r>
|
|
<r> 0.4035 1.0000 </r>
|
|
<r> 1.9363 1.0000 </r>
|
|
<r> 4.0468 1.0000 </r>
|
|
<r> 4.6515 1.0000 </r>
|
|
<r> 6.6739 1.0000 </r>
|
|
<r> 7.6760 0.9983 </r>
|
|
<r> 8.8822 0.0000 </r>
|
|
<r> 9.4477 0.0000 </r>
|
|
<r> 11.9748 0.0000 </r>
|
|
<r> 13.8742 0.0000 </r>
|
|
<r> 16.0112 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 54">
|
|
<r> -91.8797 1.0000 </r>
|
|
<r> -91.4248 1.0000 </r>
|
|
<r> -91.2897 1.0000 </r>
|
|
<r> -65.7458 1.0000 </r>
|
|
<r> -30.0517 1.0000 </r>
|
|
<r> -30.0469 1.0000 </r>
|
|
<r> -29.8013 1.0000 </r>
|
|
<r> 0.7108 1.0000 </r>
|
|
<r> 1.9297 1.0000 </r>
|
|
<r> 3.9336 1.0000 </r>
|
|
<r> 4.5238 1.0000 </r>
|
|
<r> 6.7857 1.0000 </r>
|
|
<r> 7.3592 1.0000 </r>
|
|
<r> 8.8793 0.0000 </r>
|
|
<r> 9.3398 0.0000 </r>
|
|
<r> 11.6821 0.0000 </r>
|
|
<r> 13.7440 0.0000 </r>
|
|
<r> 16.5307 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 55">
|
|
<r> -91.8799 1.0000 </r>
|
|
<r> -91.4249 1.0000 </r>
|
|
<r> -91.2899 1.0000 </r>
|
|
<r> -65.7456 1.0000 </r>
|
|
<r> -30.0593 1.0000 </r>
|
|
<r> -30.0463 1.0000 </r>
|
|
<r> -29.8006 1.0000 </r>
|
|
<r> 0.9965 1.0000 </r>
|
|
<r> 1.8877 1.0000 </r>
|
|
<r> 3.9039 1.0000 </r>
|
|
<r> 4.3616 1.0000 </r>
|
|
<r> 6.8809 1.0000 </r>
|
|
<r> 7.1374 1.0000 </r>
|
|
<r> 8.7963 0.0000 </r>
|
|
<r> 9.3615 0.0000 </r>
|
|
<r> 11.4387 0.0000 </r>
|
|
<r> 13.5583 0.0000 </r>
|
|
<r> 16.9470 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 56">
|
|
<r> -91.8787 1.0000 </r>
|
|
<r> -91.4238 1.0000 </r>
|
|
<r> -91.2887 1.0000 </r>
|
|
<r> -65.7455 1.0000 </r>
|
|
<r> -30.0632 1.0000 </r>
|
|
<r> -30.0459 1.0000 </r>
|
|
<r> -29.8002 1.0000 </r>
|
|
<r> 1.1916 1.0000 </r>
|
|
<r> 1.8308 1.0000 </r>
|
|
<r> 3.9520 1.0000 </r>
|
|
<r> 4.2094 1.0000 </r>
|
|
<r> 6.9473 1.0000 </r>
|
|
<r> 7.0123 1.0000 </r>
|
|
<r> 8.7381 0.0000 </r>
|
|
<r> 9.3978 0.0000 </r>
|
|
<r> 11.2989 0.0000 </r>
|
|
<r> 13.4437 0.0000 </r>
|
|
<r> 16.5925 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 57">
|
|
<r> -91.8803 1.0000 </r>
|
|
<r> -91.4253 1.0000 </r>
|
|
<r> -91.2903 1.0000 </r>
|
|
<r> -65.7463 1.0000 </r>
|
|
<r> -30.0559 1.0000 </r>
|
|
<r> -30.0145 1.0000 </r>
|
|
<r> -29.8042 1.0000 </r>
|
|
<r> 0.1293 1.0000 </r>
|
|
<r> 1.3542 1.0000 </r>
|
|
<r> 4.5849 1.0000 </r>
|
|
<r> 4.7168 1.0000 </r>
|
|
<r> 6.2814 1.0000 </r>
|
|
<r> 8.9385 0.0000 </r>
|
|
<r> 9.0598 0.0000 </r>
|
|
<r> 10.4726 0.0000 </r>
|
|
<r> 12.1850 0.0000 </r>
|
|
<r> 12.8255 0.0000 </r>
|
|
<r> 15.1774 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 58">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7463 1.0000 </r>
|
|
<r> -30.0557 1.0000 </r>
|
|
<r> -30.0167 1.0000 </r>
|
|
<r> -29.8040 1.0000 </r>
|
|
<r> 0.1836 1.0000 </r>
|
|
<r> 1.3565 1.0000 </r>
|
|
<r> 4.5671 1.0000 </r>
|
|
<r> 4.6874 1.0000 </r>
|
|
<r> 6.3024 1.0000 </r>
|
|
<r> 8.9015 0.0000 </r>
|
|
<r> 8.9469 0.0000 </r>
|
|
<r> 10.3933 0.0000 </r>
|
|
<r> 12.1353 0.0000 </r>
|
|
<r> 13.0125 0.0000 </r>
|
|
<r> 15.3429 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 59">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7462 1.0000 </r>
|
|
<r> -30.0552 1.0000 </r>
|
|
<r> -30.0227 1.0000 </r>
|
|
<r> -29.8035 1.0000 </r>
|
|
<r> 0.3435 1.0000 </r>
|
|
<r> 1.3655 1.0000 </r>
|
|
<r> 4.4967 1.0000 </r>
|
|
<r> 4.6242 1.0000 </r>
|
|
<r> 6.3631 1.0000 </r>
|
|
<r> 8.5307 0.0000 </r>
|
|
<r> 8.9685 0.0000 </r>
|
|
<r> 10.1791 0.0000 </r>
|
|
<r> 12.0342 0.0000 </r>
|
|
<r> 13.5893 0.0000 </r>
|
|
<r> 16.0045 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 60">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7460 1.0000 </r>
|
|
<r> -30.0544 1.0000 </r>
|
|
<r> -30.0315 1.0000 </r>
|
|
<r> -29.8026 1.0000 </r>
|
|
<r> 0.5914 1.0000 </r>
|
|
<r> 1.3832 1.0000 </r>
|
|
<r> 4.3674 1.0000 </r>
|
|
<r> 4.5524 1.0000 </r>
|
|
<r> 6.4562 1.0000 </r>
|
|
<r> 8.1044 0.0009 </r>
|
|
<r> 8.9932 0.0000 </r>
|
|
<r> 9.8884 0.0000 </r>
|
|
<r> 11.8622 0.0000 </r>
|
|
<r> 14.2861 0.0000 </r>
|
|
<r> 15.0487 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 61">
|
|
<r> -91.8803 1.0000 </r>
|
|
<r> -91.4253 1.0000 </r>
|
|
<r> -91.2903 1.0000 </r>
|
|
<r> -65.7459 1.0000 </r>
|
|
<r> -30.0535 1.0000 </r>
|
|
<r> -30.0416 1.0000 </r>
|
|
<r> -29.8017 1.0000 </r>
|
|
<r> 0.8833 1.0000 </r>
|
|
<r> 1.4308 1.0000 </r>
|
|
<r> 4.2192 1.0000 </r>
|
|
<r> 4.4522 1.0000 </r>
|
|
<r> 6.5696 1.0000 </r>
|
|
<r> 7.7127 0.9919 </r>
|
|
<r> 9.0016 0.0000 </r>
|
|
<r> 9.5963 0.0000 </r>
|
|
<r> 11.6488 0.0000 </r>
|
|
<r> 14.0297 0.0000 </r>
|
|
<r> 15.9577 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 62">
|
|
<r> -91.8803 1.0000 </r>
|
|
<r> -91.4253 1.0000 </r>
|
|
<r> -91.2903 1.0000 </r>
|
|
<r> -65.7457 1.0000 </r>
|
|
<r> -30.0528 1.0000 </r>
|
|
<r> -30.0512 1.0000 </r>
|
|
<r> -29.8008 1.0000 </r>
|
|
<r> 1.1157 1.0000 </r>
|
|
<r> 1.5761 1.0000 </r>
|
|
<r> 4.0844 1.0000 </r>
|
|
<r> 4.3103 1.0000 </r>
|
|
<r> 6.6854 1.0000 </r>
|
|
<r> 7.3974 1.0000 </r>
|
|
<r> 8.9559 0.0000 </r>
|
|
<r> 9.3894 0.0000 </r>
|
|
<r> 11.4424 0.0000 </r>
|
|
<r> 13.7001 0.0000 </r>
|
|
<r> 16.5151 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 63">
|
|
<r> -91.8801 1.0000 </r>
|
|
<r> -91.4251 1.0000 </r>
|
|
<r> -91.2901 1.0000 </r>
|
|
<r> -65.7455 1.0000 </r>
|
|
<r> -30.0587 1.0000 </r>
|
|
<r> -30.0521 1.0000 </r>
|
|
<r> -29.8000 1.0000 </r>
|
|
<r> 1.2081 1.0000 </r>
|
|
<r> 1.8399 1.0000 </r>
|
|
<r> 3.9754 1.0000 </r>
|
|
<r> 4.1492 1.0000 </r>
|
|
<r> 6.7823 1.0000 </r>
|
|
<r> 7.1786 1.0000 </r>
|
|
<r> 8.8498 0.0000 </r>
|
|
<r> 9.3109 0.0000 </r>
|
|
<r> 11.2830 0.0000 </r>
|
|
<r> 13.4354 0.0000 </r>
|
|
<r> 16.6304 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 64">
|
|
<r> -91.8793 1.0000 </r>
|
|
<r> -91.4243 1.0000 </r>
|
|
<r> -91.2893 1.0000 </r>
|
|
<r> -65.7454 1.0000 </r>
|
|
<r> -30.0627 1.0000 </r>
|
|
<r> -30.0518 1.0000 </r>
|
|
<r> -29.7996 1.0000 </r>
|
|
<r> 1.2328 1.0000 </r>
|
|
<r> 2.0507 1.0000 </r>
|
|
<r> 3.8985 1.0000 </r>
|
|
<r> 4.0417 1.0000 </r>
|
|
<r> 6.8389 1.0000 </r>
|
|
<r> 7.0660 1.0000 </r>
|
|
<r> 8.7690 0.0000 </r>
|
|
<r> 9.2970 0.0000 </r>
|
|
<r> 11.2437 0.0000 </r>
|
|
<r> 14.1131 0.0000 </r>
|
|
<r> 18.0681 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 65">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4252 1.0000 </r>
|
|
<r> -91.2902 1.0000 </r>
|
|
<r> -65.7474 1.0000 </r>
|
|
<r> -30.0205 1.0000 </r>
|
|
<r> -29.9874 1.0000 </r>
|
|
<r> -29.8211 1.0000 </r>
|
|
<r> -1.9380 1.0000 </r>
|
|
<r> 4.4295 1.0000 </r>
|
|
<r> 4.8508 1.0000 </r>
|
|
<r> 6.3792 1.0000 </r>
|
|
<r> 6.8138 1.0000 </r>
|
|
<r> 8.1771 0.0000 </r>
|
|
<r> 8.8386 0.0000 </r>
|
|
<r> 8.9434 0.0000 </r>
|
|
<r> 9.0466 0.0000 </r>
|
|
<r> 13.4689 0.0000 </r>
|
|
<r> 14.8465 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 66">
|
|
<r> -91.8802 1.0000 </r>
|
|
<r> -91.4250 1.0000 </r>
|
|
<r> -91.2900 1.0000 </r>
|
|
<r> -65.7474 1.0000 </r>
|
|
<r> -30.0226 1.0000 </r>
|
|
<r> -29.9872 1.0000 </r>
|
|
<r> -29.8209 1.0000 </r>
|
|
<r> -1.8859 1.0000 </r>
|
|
<r> 4.3438 1.0000 </r>
|
|
<r> 4.8274 1.0000 </r>
|
|
<r> 6.3656 1.0000 </r>
|
|
<r> 6.6651 1.0000 </r>
|
|
<r> 8.2366 0.0000 </r>
|
|
<r> 8.4561 0.0000 </r>
|
|
<r> 9.1702 0.0000 </r>
|
|
<r> 9.3749 0.0000 </r>
|
|
<r> 14.6979 0.0000 </r>
|
|
<r> 15.1035 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 67">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7473 1.0000 </r>
|
|
<r> -30.0286 1.0000 </r>
|
|
<r> -29.9866 1.0000 </r>
|
|
<r> -29.8203 1.0000 </r>
|
|
<r> -1.7375 1.0000 </r>
|
|
<r> 4.0528 1.0000 </r>
|
|
<r> 4.7878 1.0000 </r>
|
|
<r> 6.3364 1.0000 </r>
|
|
<r> 6.3830 1.0000 </r>
|
|
<r> 8.0619 0.0057 </r>
|
|
<r> 8.3336 0.0000 </r>
|
|
<r> 9.5014 0.0000 </r>
|
|
<r> 9.9115 0.0000 </r>
|
|
<r> 14.1815 0.0000 </r>
|
|
<r> 14.9183 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 68">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7471 1.0000 </r>
|
|
<r> -30.0372 1.0000 </r>
|
|
<r> -29.9857 1.0000 </r>
|
|
<r> -29.8195 1.0000 </r>
|
|
<r> -1.4939 1.0000 </r>
|
|
<r> 3.5647 1.0000 </r>
|
|
<r> 4.7595 1.0000 </r>
|
|
<r> 5.9723 1.0000 </r>
|
|
<r> 6.4743 1.0000 </r>
|
|
<r> 7.7497 0.9700 </r>
|
|
<r> 8.4147 0.0000 </r>
|
|
<r> 9.9423 0.0000 </r>
|
|
<r> 10.4794 0.0000 </r>
|
|
<r> 14.3282 0.0000 </r>
|
|
<r> 15.0758 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 69">
|
|
<r> -91.8796 1.0000 </r>
|
|
<r> -91.4244 1.0000 </r>
|
|
<r> -91.2894 1.0000 </r>
|
|
<r> -65.7469 1.0000 </r>
|
|
<r> -30.0470 1.0000 </r>
|
|
<r> -29.9846 1.0000 </r>
|
|
<r> -29.8185 1.0000 </r>
|
|
<r> -1.1660 1.0000 </r>
|
|
<r> 2.9634 1.0000 </r>
|
|
<r> 4.7389 1.0000 </r>
|
|
<r> 5.6413 1.0000 </r>
|
|
<r> 6.5416 1.0000 </r>
|
|
<r> 7.6483 0.9995 </r>
|
|
<r> 8.4831 0.0000 </r>
|
|
<r> 10.4090 0.0000 </r>
|
|
<r> 11.0447 0.0000 </r>
|
|
<r> 15.0305 0.0000 </r>
|
|
<r> 15.6832 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 70">
|
|
<r> -91.8801 1.0000 </r>
|
|
<r> -91.4251 1.0000 </r>
|
|
<r> -91.2901 1.0000 </r>
|
|
<r> -65.7468 1.0000 </r>
|
|
<r> -30.0566 1.0000 </r>
|
|
<r> -29.9837 1.0000 </r>
|
|
<r> -29.8176 1.0000 </r>
|
|
<r> -0.7654 1.0000 </r>
|
|
<r> 2.3210 1.0000 </r>
|
|
<r> 4.7218 1.0000 </r>
|
|
<r> 5.3752 1.0000 </r>
|
|
<r> 6.4754 1.0000 </r>
|
|
<r> 7.8474 0.6915 </r>
|
|
<r> 8.5405 0.0000 </r>
|
|
<r> 10.8486 0.0000 </r>
|
|
<r> 11.5771 0.0000 </r>
|
|
<r> 13.5613 0.0000 </r>
|
|
<r> 15.1290 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 71">
|
|
<r> -91.8811 1.0000 </r>
|
|
<r> -91.4261 1.0000 </r>
|
|
<r> -91.2911 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0642 1.0000 </r>
|
|
<r> -29.9830 1.0000 </r>
|
|
<r> -29.8168 1.0000 </r>
|
|
<r> -0.3160 1.0000 </r>
|
|
<r> 1.6951 1.0000 </r>
|
|
<r> 4.7092 1.0000 </r>
|
|
<r> 5.1905 1.0000 </r>
|
|
<r> 6.3590 1.0000 </r>
|
|
<r> 8.1987 0.0000 </r>
|
|
<r> 8.5831 0.0000 </r>
|
|
<r> 11.2134 0.0000 </r>
|
|
<r> 12.0304 0.0000 </r>
|
|
<r> 12.9684 0.0000 </r>
|
|
<r> 14.5851 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 72">
|
|
<r> -91.8817 1.0000 </r>
|
|
<r> -91.4266 1.0000 </r>
|
|
<r> -91.2917 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0683 1.0000 </r>
|
|
<r> -29.9826 1.0000 </r>
|
|
<r> -29.8165 1.0000 </r>
|
|
<r> 0.1015 1.0000 </r>
|
|
<r> 1.1853 1.0000 </r>
|
|
<r> 4.7026 1.0000 </r>
|
|
<r> 5.0962 1.0000 </r>
|
|
<r> 6.2848 1.0000 </r>
|
|
<r> 8.4738 0.0000 </r>
|
|
<r> 8.6059 0.0000 </r>
|
|
<r> 11.4369 0.0000 </r>
|
|
<r> 12.3087 0.0000 </r>
|
|
<r> 12.6173 0.0000 </r>
|
|
<r> 14.4394 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 73">
|
|
<r> -91.8803 1.0000 </r>
|
|
<r> -91.4251 1.0000 </r>
|
|
<r> -91.2901 1.0000 </r>
|
|
<r> -65.7474 1.0000 </r>
|
|
<r> -30.0202 1.0000 </r>
|
|
<r> -29.9904 1.0000 </r>
|
|
<r> -29.8208 1.0000 </r>
|
|
<r> -1.8853 1.0000 </r>
|
|
<r> 4.3956 1.0000 </r>
|
|
<r> 4.8088 1.0000 </r>
|
|
<r> 6.2602 1.0000 </r>
|
|
<r> 6.7341 1.0000 </r>
|
|
<r> 8.1965 0.0000 </r>
|
|
<r> 8.5252 0.0000 </r>
|
|
<r> 9.0697 0.0000 </r>
|
|
<r> 9.4119 0.0000 </r>
|
|
<r> 13.8616 0.0000 </r>
|
|
<r> 15.2576 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 74">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4252 1.0000 </r>
|
|
<r> -91.2902 1.0000 </r>
|
|
<r> -65.7473 1.0000 </r>
|
|
<r> -30.0223 1.0000 </r>
|
|
<r> -29.9901 1.0000 </r>
|
|
<r> -29.8206 1.0000 </r>
|
|
<r> -1.8347 1.0000 </r>
|
|
<r> 4.3325 1.0000 </r>
|
|
<r> 4.7685 1.0000 </r>
|
|
<r> 6.1044 1.0000 </r>
|
|
<r> 6.8162 1.0000 </r>
|
|
<r> 7.9710 0.1061 </r>
|
|
<r> 8.7574 0.0000 </r>
|
|
<r> 8.9151 0.0000 </r>
|
|
<r> 9.6966 0.0000 </r>
|
|
<r> 13.8495 0.0000 </r>
|
|
<r> 14.8611 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 75">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2907 1.0000 </r>
|
|
<r> -65.7473 1.0000 </r>
|
|
<r> -30.0283 1.0000 </r>
|
|
<r> -29.9896 1.0000 </r>
|
|
<r> -29.8200 1.0000 </r>
|
|
<r> -1.6854 1.0000 </r>
|
|
<r> 4.0715 1.0000 </r>
|
|
<r> 4.7055 1.0000 </r>
|
|
<r> 5.8924 1.0000 </r>
|
|
<r> 6.8149 1.0000 </r>
|
|
<r> 7.7859 0.9146 </r>
|
|
<r> 8.5439 0.0000 </r>
|
|
<r> 9.2979 0.0000 </r>
|
|
<r> 10.1790 0.0000 </r>
|
|
<r> 14.4429 0.0000 </r>
|
|
<r> 14.9450 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 76">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4254 1.0000 </r>
|
|
<r> -91.2904 1.0000 </r>
|
|
<r> -65.7471 1.0000 </r>
|
|
<r> -30.0369 1.0000 </r>
|
|
<r> -29.9887 1.0000 </r>
|
|
<r> -29.8192 1.0000 </r>
|
|
<r> -1.4415 1.0000 </r>
|
|
<r> 3.5859 1.0000 </r>
|
|
<r> 4.6793 1.0000 </r>
|
|
<r> 5.7131 1.0000 </r>
|
|
<r> 6.7163 1.0000 </r>
|
|
<r> 7.7038 0.9943 </r>
|
|
<r> 8.3889 0.0000 </r>
|
|
<r> 9.7722 0.0000 </r>
|
|
<r> 10.7211 0.0000 </r>
|
|
<r> 14.3964 0.0000 </r>
|
|
<r> 15.0087 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 77">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4253 1.0000 </r>
|
|
<r> -91.2903 1.0000 </r>
|
|
<r> -65.7469 1.0000 </r>
|
|
<r> -30.0468 1.0000 </r>
|
|
<r> -29.9877 1.0000 </r>
|
|
<r> -29.8182 1.0000 </r>
|
|
<r> -1.1142 1.0000 </r>
|
|
<r> 2.9798 1.0000 </r>
|
|
<r> 4.6736 1.0000 </r>
|
|
<r> 5.5108 1.0000 </r>
|
|
<r> 6.6199 1.0000 </r>
|
|
<r> 7.7221 0.9885 </r>
|
|
<r> 8.3636 0.0000 </r>
|
|
<r> 10.2499 0.0000 </r>
|
|
<r> 11.2691 0.0000 </r>
|
|
<r> 14.1095 0.0000 </r>
|
|
<r> 16.1309 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 78">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0564 1.0000 </r>
|
|
<r> -29.9867 1.0000 </r>
|
|
<r> -29.8173 1.0000 </r>
|
|
<r> -0.7140 1.0000 </r>
|
|
<r> 2.3366 1.0000 </r>
|
|
<r> 4.6761 1.0000 </r>
|
|
<r> 5.3013 1.0000 </r>
|
|
<r> 6.5008 1.0000 </r>
|
|
<r> 7.9230 0.2850 </r>
|
|
<r> 8.3953 0.0000 </r>
|
|
<r> 10.6940 0.0000 </r>
|
|
<r> 11.7823 0.0000 </r>
|
|
<r> 13.5487 0.0000 </r>
|
|
<r> 15.0697 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 79">
|
|
<r> -91.8810 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7466 1.0000 </r>
|
|
<r> -30.0639 1.0000 </r>
|
|
<r> -29.9860 1.0000 </r>
|
|
<r> -29.8166 1.0000 </r>
|
|
<r> -0.2628 1.0000 </r>
|
|
<r> 1.7117 1.0000 </r>
|
|
<r> 4.6852 1.0000 </r>
|
|
<r> 5.1307 1.0000 </r>
|
|
<r> 6.3817 1.0000 </r>
|
|
<r> 8.2332 0.0000 </r>
|
|
<r> 8.4366 0.0000 </r>
|
|
<r> 11.0609 0.0000 </r>
|
|
<r> 12.1858 0.0000 </r>
|
|
<r> 13.0336 0.0000 </r>
|
|
<r> 14.9369 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 80">
|
|
<r> -91.8812 1.0000 </r>
|
|
<r> -91.4262 1.0000 </r>
|
|
<r> -91.2912 1.0000 </r>
|
|
<r> -65.7466 1.0000 </r>
|
|
<r> -30.0680 1.0000 </r>
|
|
<r> -29.9856 1.0000 </r>
|
|
<r> -29.8162 1.0000 </r>
|
|
<r> 0.1614 1.0000 </r>
|
|
<r> 1.1971 1.0000 </r>
|
|
<r> 4.6963 1.0000 </r>
|
|
<r> 5.0329 1.0000 </r>
|
|
<r> 6.3108 1.0000 </r>
|
|
<r> 8.4305 0.0000 </r>
|
|
<r> 8.5088 0.0000 </r>
|
|
<r> 11.2905 0.0000 </r>
|
|
<r> 12.2531 0.0000 </r>
|
|
<r> 13.6523 0.0000 </r>
|
|
<r> 15.0165 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 81">
|
|
<r> -91.8799 1.0000 </r>
|
|
<r> -91.4248 1.0000 </r>
|
|
<r> -91.2898 1.0000 </r>
|
|
<r> -65.7472 1.0000 </r>
|
|
<r> -30.0193 1.0000 </r>
|
|
<r> -29.9987 1.0000 </r>
|
|
<r> -29.8199 1.0000 </r>
|
|
<r> -1.7259 1.0000 </r>
|
|
<r> 4.2208 1.0000 </r>
|
|
<r> 4.7206 1.0000 </r>
|
|
<r> 5.9736 1.0000 </r>
|
|
<r> 6.6199 1.0000 </r>
|
|
<r> 8.1432 0.0001 </r>
|
|
<r> 8.2436 0.0000 </r>
|
|
<r> 9.3875 0.0000 </r>
|
|
<r> 9.9330 0.0000 </r>
|
|
<r> 14.2783 0.0000 </r>
|
|
<r> 14.9326 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 82">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4253 1.0000 </r>
|
|
<r> -91.2904 1.0000 </r>
|
|
<r> -65.7472 1.0000 </r>
|
|
<r> -30.0214 1.0000 </r>
|
|
<r> -29.9985 1.0000 </r>
|
|
<r> -29.8197 1.0000 </r>
|
|
<r> -1.6767 1.0000 </r>
|
|
<r> 4.2223 1.0000 </r>
|
|
<r> 4.6204 1.0000 </r>
|
|
<r> 5.7734 1.0000 </r>
|
|
<r> 6.8479 1.0000 </r>
|
|
<r> 7.7918 0.9010 </r>
|
|
<r> 8.5549 0.0000 </r>
|
|
<r> 9.2077 0.0000 </r>
|
|
<r> 10.1836 0.0000 </r>
|
|
<r> 14.6923 0.0000 </r>
|
|
<r> 15.0199 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 83">
|
|
<r> -91.8807 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7471 1.0000 </r>
|
|
<r> -30.0274 1.0000 </r>
|
|
<r> -29.9980 1.0000 </r>
|
|
<r> -29.8192 1.0000 </r>
|
|
<r> -1.5287 1.0000 </r>
|
|
<r> 4.1177 1.0000 </r>
|
|
<r> 4.4062 1.0000 </r>
|
|
<r> 5.5506 1.0000 </r>
|
|
<r> 7.1483 1.0000 </r>
|
|
<r> 7.4218 1.0000 </r>
|
|
<r> 8.7268 0.0000 </r>
|
|
<r> 9.0973 0.0000 </r>
|
|
<r> 10.6622 0.0000 </r>
|
|
<r> 14.4498 0.0000 </r>
|
|
<r> 15.1810 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 84">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4254 1.0000 </r>
|
|
<r> -91.2904 1.0000 </r>
|
|
<r> -65.7469 1.0000 </r>
|
|
<r> -30.0361 1.0000 </r>
|
|
<r> -29.9971 1.0000 </r>
|
|
<r> -29.8183 1.0000 </r>
|
|
<r> -1.2856 1.0000 </r>
|
|
<r> 3.6350 1.0000 </r>
|
|
<r> 4.3984 1.0000 </r>
|
|
<r> 5.4250 1.0000 </r>
|
|
<r> 6.9924 1.0000 </r>
|
|
<r> 7.5022 1.0000 </r>
|
|
<r> 8.4908 0.0000 </r>
|
|
<r> 9.4686 0.0000 </r>
|
|
<r> 11.2024 0.0000 </r>
|
|
<r> 14.4000 0.0000 </r>
|
|
<r> 15.1855 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 85">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2907 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0460 1.0000 </r>
|
|
<r> -29.9962 1.0000 </r>
|
|
<r> -29.8174 1.0000 </r>
|
|
<r> -0.9603 1.0000 </r>
|
|
<r> 3.0182 1.0000 </r>
|
|
<r> 4.4522 1.0000 </r>
|
|
<r> 5.3087 1.0000 </r>
|
|
<r> 6.7413 1.0000 </r>
|
|
<r> 7.7217 0.9886 </r>
|
|
<r> 8.3005 0.0000 </r>
|
|
<r> 9.9206 0.0000 </r>
|
|
<r> 11.7328 0.0000 </r>
|
|
<r> 13.9753 0.0000 </r>
|
|
<r> 15.3830 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 86">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4254 1.0000 </r>
|
|
<r> -91.2904 1.0000 </r>
|
|
<r> -65.7465 1.0000 </r>
|
|
<r> -30.0556 1.0000 </r>
|
|
<r> -29.9952 1.0000 </r>
|
|
<r> -29.8164 1.0000 </r>
|
|
<r> -0.5617 1.0000 </r>
|
|
<r> 2.3790 1.0000 </r>
|
|
<r> 4.5170 1.0000 </r>
|
|
<r> 5.1603 1.0000 </r>
|
|
<r> 6.5656 1.0000 </r>
|
|
<r> 7.9200 0.2994 </r>
|
|
<r> 8.2560 0.0000 </r>
|
|
<r> 10.3547 0.0000 </r>
|
|
<r> 12.1577 0.0000 </r>
|
|
<r> 13.5549 0.0000 </r>
|
|
<r> 17.9977 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 87">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2907 1.0000 </r>
|
|
<r> -65.7464 1.0000 </r>
|
|
<r> -30.0631 1.0000 </r>
|
|
<r> -29.9945 1.0000 </r>
|
|
<r> -29.8157 1.0000 </r>
|
|
<r> -0.1093 1.0000 </r>
|
|
<r> 1.7590 1.0000 </r>
|
|
<r> 4.5897 1.0000 </r>
|
|
<r> 5.0004 1.0000 </r>
|
|
<r> 6.4473 1.0000 </r>
|
|
<r> 8.0381 0.0140 </r>
|
|
<r> 8.3802 0.0000 </r>
|
|
<r> 10.7217 0.0000 </r>
|
|
<r> 12.2601 0.0000 </r>
|
|
<r> 13.3666 0.0000 </r>
|
|
<r> 15.0205 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 88">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7464 1.0000 </r>
|
|
<r> -30.0672 1.0000 </r>
|
|
<r> -29.9941 1.0000 </r>
|
|
<r> -29.8153 1.0000 </r>
|
|
<r> 0.3334 1.0000 </r>
|
|
<r> 1.2318 1.0000 </r>
|
|
<r> 4.6652 1.0000 </r>
|
|
<r> 4.8709 1.0000 </r>
|
|
<r> 6.3846 1.0000 </r>
|
|
<r> 8.0775 0.0029 </r>
|
|
<r> 8.5356 0.0000 </r>
|
|
<r> 10.9631 0.0000 </r>
|
|
<r> 12.0560 0.0000 </r>
|
|
<r> 14.6802 0.0000 </r>
|
|
<r> 15.7986 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 89">
|
|
<r> -91.8809 1.0000 </r>
|
|
<r> -91.4258 1.0000 </r>
|
|
<r> -91.2908 1.0000 </r>
|
|
<r> -65.7470 1.0000 </r>
|
|
<r> -30.0181 1.0000 </r>
|
|
<r> -30.0111 1.0000 </r>
|
|
<r> -29.8187 1.0000 </r>
|
|
<r> -1.4695 1.0000 </r>
|
|
<r> 3.7994 1.0000 </r>
|
|
<r> 4.6693 1.0000 </r>
|
|
<r> 5.6325 1.0000 </r>
|
|
<r> 6.5974 1.0000 </r>
|
|
<r> 7.8461 0.6978 </r>
|
|
<r> 8.3061 0.0000 </r>
|
|
<r> 9.7917 0.0000 </r>
|
|
<r> 10.4886 0.0000 </r>
|
|
<r> 14.2428 0.0000 </r>
|
|
<r> 15.3871 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 90">
|
|
<r> -91.8808 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2907 1.0000 </r>
|
|
<r> -65.7469 1.0000 </r>
|
|
<r> -30.0202 1.0000 </r>
|
|
<r> -30.0109 1.0000 </r>
|
|
<r> -29.8185 1.0000 </r>
|
|
<r> -1.4195 1.0000 </r>
|
|
<r> 3.8193 1.0000 </r>
|
|
<r> 4.5504 1.0000 </r>
|
|
<r> 5.5098 1.0000 </r>
|
|
<r> 6.7466 1.0000 </r>
|
|
<r> 7.7637 0.9539 </r>
|
|
<r> 8.3458 0.0000 </r>
|
|
<r> 9.6384 0.0000 </r>
|
|
<r> 10.7162 0.0000 </r>
|
|
<r> 14.2161 0.0000 </r>
|
|
<r> 15.3807 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 91">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7468 1.0000 </r>
|
|
<r> -30.0261 1.0000 </r>
|
|
<r> -30.0103 1.0000 </r>
|
|
<r> -29.8179 1.0000 </r>
|
|
<r> -1.2729 1.0000 </r>
|
|
<r> 3.8625 1.0000 </r>
|
|
<r> 4.2037 1.0000 </r>
|
|
<r> 5.3571 1.0000 </r>
|
|
<r> 6.9709 1.0000 </r>
|
|
<r> 7.5306 1.0000 </r>
|
|
<r> 8.5275 0.0000 </r>
|
|
<r> 9.3693 0.0000 </r>
|
|
<r> 11.1903 0.0000 </r>
|
|
<r> 14.9903 0.0000 </r>
|
|
<r> 31.3493 0.0000 </r>
|
|
</set>
|
|
<set comment="kpoint 92">
|
|
<r> -91.8807 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
|
|
<r> -91.2907 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0349 1.0000 </r>
|
|
<r> -30.0095 1.0000 </r>
|
|
<r> -29.8171 1.0000 </r>
|
|
<r> -1.0337 1.0000 </r>
|
|
<r> 3.6024 1.0000 </r>
|
|
<r> 4.0290 1.0000 </r>
|
|
<r> 5.2643 1.0000 </r>
|
|
<r> 7.0029 1.0000 </r>
|
|
<r> 7.3935 1.0000 </r>
|
|
<r> 8.6571 0.0000 </r>
|
|
<r> 9.2934 0.0000 </r>
|
|
<r> 11.7135 0.0000 </r>
|
|
<r> 14.0675 0.0000 </r>
|
|
<r> 15.4038 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 93">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4253 1.0000 </r>
|
|
<r> -91.2903 1.0000 </r>
|
|
<r> -65.7464 1.0000 </r>
|
|
<r> -30.0448 1.0000 </r>
|
|
<r> -30.0085 1.0000 </r>
|
|
<r> -29.8161 1.0000 </r>
|
|
<r> -0.7114 1.0000 </r>
|
|
<r> 3.0260 1.0000 </r>
|
|
<r> 4.1301 1.0000 </r>
|
|
<r> 5.1712 1.0000 </r>
|
|
<r> 6.8136 1.0000 </r>
|
|
<r> 7.4784 1.0000 </r>
|
|
<r> 8.5466 0.0000 </r>
|
|
<r> 9.5926 0.0000 </r>
|
|
<r> 12.1469 0.0000 </r>
|
|
<r> 13.8100 0.0000 </r>
|
|
<r> 15.8147 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 94">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7463 1.0000 </r>
|
|
<r> -30.0544 1.0000 </r>
|
|
<r> -30.0076 1.0000 </r>
|
|
<r> -29.8152 1.0000 </r>
|
|
<r> -0.3183 1.0000 </r>
|
|
<r> 2.4223 1.0000 </r>
|
|
<r> 4.2569 1.0000 </r>
|
|
<r> 5.0412 1.0000 </r>
|
|
<r> 6.6493 1.0000 </r>
|
|
<r> 7.5743 1.0000 </r>
|
|
<r> 8.4765 0.0000 </r>
|
|
<r> 9.9779 0.0000 </r>
|
|
<r> 12.2811 0.0000 </r>
|
|
<r> 13.6749 0.0000 </r>
|
|
<r> 15.6480 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 95">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7461 1.0000 </r>
|
|
<r> -30.0619 1.0000 </r>
|
|
<r> -30.0069 1.0000 </r>
|
|
<r> -29.8145 1.0000 </r>
|
|
<r> 0.1309 1.0000 </r>
|
|
<r> 1.8302 1.0000 </r>
|
|
<r> 4.3950 1.0000 </r>
|
|
<r> 4.8792 1.0000 </r>
|
|
<r> 6.5467 1.0000 </r>
|
|
<r> 7.6338 0.9998 </r>
|
|
<r> 8.5191 0.0000 </r>
|
|
<r> 10.3234 0.0000 </r>
|
|
<r> 12.0332 0.0000 </r>
|
|
<r> 13.9324 0.0000 </r>
|
|
<r> 15.8350 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 96">
|
|
<r> -91.8807 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7461 1.0000 </r>
|
|
<r> -30.0660 1.0000 </r>
|
|
<r> -30.0065 1.0000 </r>
|
|
<r> -29.8141 1.0000 </r>
|
|
<r> 0.5962 1.0000 </r>
|
|
<r> 1.2931 1.0000 </r>
|
|
<r> 4.5437 1.0000 </r>
|
|
<r> 4.7091 1.0000 </r>
|
|
<r> 6.4966 1.0000 </r>
|
|
<r> 7.6617 0.9991 </r>
|
|
<r> 8.5908 0.0000 </r>
|
|
<r> 10.5605 0.0000 </r>
|
|
<r> 11.7454 0.0000 </r>
|
|
<r> 14.3195 0.0000 </r>
|
|
<r> 15.4240 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 97">
|
|
<r> -91.8811 1.0000 </r>
|
|
<r> -91.4260 1.0000 </r>
|
|
<r> -91.2910 1.0000 </r>
|
|
<r> -65.7467 1.0000 </r>
|
|
<r> -30.0253 1.0000 </r>
|
|
<r> -30.0166 1.0000 </r>
|
|
<r> -29.8173 1.0000 </r>
|
|
<r> -1.1232 1.0000 </r>
|
|
<r> 3.2045 1.0000 </r>
|
|
<r> 4.6486 1.0000 </r>
|
|
<r> 5.3096 1.0000 </r>
|
|
<r> 6.5657 1.0000 </r>
|
|
<r> 7.8108 0.8458 </r>
|
|
<r> 8.3758 0.0000 </r>
|
|
<r> 10.2111 0.0000 </r>
|
|
<r> 11.0400 0.0000 </r>
|
|
<r> 13.9258 0.0000 </r>
|
|
<r> 15.5259 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 98">
|
|
<r> -91.8810 1.0000 </r>
|
|
<r> -91.4259 1.0000 </r>
|
|
<r> -91.2909 1.0000 </r>
|
|
<r> -65.7466 1.0000 </r>
|
|
<r> -30.0251 1.0000 </r>
|
|
<r> -30.0187 1.0000 </r>
|
|
<r> -29.8171 1.0000 </r>
|
|
<r> -1.0740 1.0000 </r>
|
|
<r> 3.2169 1.0000 </r>
|
|
<r> 4.5463 1.0000 </r>
|
|
<r> 5.2645 1.0000 </r>
|
|
<r> 6.6130 1.0000 </r>
|
|
<r> 7.8637 0.6062 </r>
|
|
<r> 8.2993 0.0000 </r>
|
|
<r> 10.0666 0.0000 </r>
|
|
<r> 11.2485 0.0000 </r>
|
|
<r> 13.8793 0.0000 </r>
|
|
<r> 15.1310 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 99">
|
|
<r> -91.8806 1.0000 </r>
|
|
<r> -91.4256 1.0000 </r>
|
|
<r> -91.2906 1.0000 </r>
|
|
<r> -65.7465 1.0000 </r>
|
|
<r> -30.0247 1.0000 </r>
|
|
<r> -30.0245 1.0000 </r>
|
|
<r> -29.8165 1.0000 </r>
|
|
<r> -0.9278 1.0000 </r>
|
|
<r> 3.2332 1.0000 </r>
|
|
<r> 4.2746 1.0000 </r>
|
|
<r> 5.1943 1.0000 </r>
|
|
<r> 6.7018 1.0000 </r>
|
|
<r> 7.7714 0.9424 </r>
|
|
<r> 8.3727 0.0000 </r>
|
|
<r> 9.7624 0.0000 </r>
|
|
<r> 11.6929 0.0000 </r>
|
|
<r> 13.8341 0.0000 </r>
|
|
<r> 15.2470 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 100">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
|
|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7463 1.0000 </r>
|
|
<r> -30.0335 1.0000 </r>
|
|
<r> -30.0237 1.0000 </r>
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<r> -29.8157 1.0000 </r>
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|
<r> -0.6936 1.0000 </r>
|
|
<r> 3.1651 1.0000 </r>
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|
<r> 3.9951 1.0000 </r>
|
|
<r> 5.1310 1.0000 </r>
|
|
<r> 6.7693 1.0000 </r>
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|
<r> 7.5109 1.0000 </r>
|
|
<r> 8.6573 0.0000 </r>
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|
<r> 9.4680 0.0000 </r>
|
|
<r> 12.1191 0.0000 </r>
|
|
<r> 13.7501 0.0000 </r>
|
|
<r> 16.2199 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 101">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4254 1.0000 </r>
|
|
<r> -91.2904 1.0000 </r>
|
|
<r> -65.7461 1.0000 </r>
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|
<r> -30.0435 1.0000 </r>
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|
<r> -30.0228 1.0000 </r>
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<r> -29.8147 1.0000 </r>
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|
<r> -0.3808 1.0000 </r>
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|
<r> 2.8709 1.0000 </r>
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|
<r> 3.9188 1.0000 </r>
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|
<r> 5.0470 1.0000 </r>
|
|
<r> 6.7750 1.0000 </r>
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|
<r> 7.3303 1.0000 </r>
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|
<r> 8.7957 0.0000 </r>
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|
<r> 9.4194 0.0000 </r>
|
|
<r> 12.2854 0.0000 </r>
|
|
<r> 15.1004 0.0000 </r>
|
|
<r> 16.6631 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 102">
|
|
<r> -91.8804 1.0000 </r>
|
|
<r> -91.4254 1.0000 </r>
|
|
<r> -91.2904 1.0000 </r>
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|
<r> -65.7460 1.0000 </r>
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|
<r> -30.0531 1.0000 </r>
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|
<r> -30.0219 1.0000 </r>
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<r> -29.8138 1.0000 </r>
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|
<r> -0.0012 1.0000 </r>
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|
<r> 2.4149 1.0000 </r>
|
|
<r> 4.0086 1.0000 </r>
|
|
<r> 4.9212 1.0000 </r>
|
|
<r> 6.7199 1.0000 </r>
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|
<r> 7.2772 1.0000 </r>
|
|
<r> 8.7185 0.0000 </r>
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|
<r> 9.6676 0.0000 </r>
|
|
<r> 12.0399 0.0000 </r>
|
|
<r> 13.9078 0.0000 </r>
|
|
<r> 16.1396 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 103">
|
|
<r> -91.8802 1.0000 </r>
|
|
<r> -91.4251 1.0000 </r>
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|
<r> -91.2901 1.0000 </r>
|
|
<r> -65.7458 1.0000 </r>
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|
<r> -30.0605 1.0000 </r>
|
|
<r> -30.0212 1.0000 </r>
|
|
<r> -29.8131 1.0000 </r>
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|
<r> 0.4304 1.0000 </r>
|
|
<r> 1.9114 1.0000 </r>
|
|
<r> 4.1602 1.0000 </r>
|
|
<r> 4.7577 1.0000 </r>
|
|
<r> 6.6629 1.0000 </r>
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|
<r> 7.2826 1.0000 </r>
|
|
<r> 8.6633 0.0000 </r>
|
|
<r> 9.9472 0.0000 </r>
|
|
<r> 11.6785 0.0000 </r>
|
|
<r> 15.2726 0.0000 </r>
|
|
<r> 16.0488 0.0000 </r>
|
|
</set>
|
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<set comment="kpoint 104">
|
|
<r> -91.8797 1.0000 </r>
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|
<r> -91.4247 1.0000 </r>
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|
<r> -91.2897 1.0000 </r>
|
|
<r> -65.7457 1.0000 </r>
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|
<r> -30.0646 1.0000 </r>
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|
<r> -30.0207 1.0000 </r>
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|
<r> -29.8127 1.0000 </r>
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|
<r> 0.8992 1.0000 </r>
|
|
<r> 1.4048 1.0000 </r>
|
|
<r> 4.3197 1.0000 </r>
|
|
<r> 4.5902 1.0000 </r>
|
|
<r> 6.6327 1.0000 </r>
|
|
<r> 7.2942 1.0000 </r>
|
|
<r> 8.6558 0.0000 </r>
|
|
<r> 10.1424 0.0000 </r>
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|
<r> 11.4034 0.0000 </r>
|
|
<r> 14.2472 0.0000 </r>
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|
<r> 41.7288 0.0000 </r>
|
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</set>
|
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<set comment="kpoint 105">
|
|
<r> -91.8814 1.0000 </r>
|
|
<r> -91.4263 1.0000 </r>
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|
<r> -91.2913 1.0000 </r>
|
|
<r> -65.7464 1.0000 </r>
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|
<r> -30.0388 1.0000 </r>
|
|
<r> -30.0152 1.0000 </r>
|
|
<r> -29.8160 1.0000 </r>
|
|
<r> -0.7011 1.0000 </r>
|
|
<r> 2.5446 1.0000 </r>
|
|
<r> 4.6365 1.0000 </r>
|
|
<r> 5.0441 1.0000 </r>
|
|
<r> 6.4285 1.0000 </r>
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|
<r> 8.1110 0.0006 </r>
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|
<r> 8.4422 0.0000 </r>
|
|
<r> 10.6018 0.0000 </r>
|
|
<r> 11.5597 0.0000 </r>
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|
<r> 13.3506 0.0000 </r>
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|
<r> 15.1051 0.0000 </r>
|
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</set>
|
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<set comment="kpoint 106">
|
|
<r> -91.8812 1.0000 </r>
|
|
<r> -91.4261 1.0000 </r>
|
|
<r> -91.2911 1.0000 </r>
|
|
<r> -65.7464 1.0000 </r>
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|
<r> -30.0386 1.0000 </r>
|
|
<r> -30.0173 1.0000 </r>
|
|
<r> -29.8158 1.0000 </r>
|
|
<r> -0.6526 1.0000 </r>
|
|
<r> 2.5545 1.0000 </r>
|
|
<r> 4.5567 1.0000 </r>
|
|
<r> 5.0344 1.0000 </r>
|
|
<r> 6.4474 1.0000 </r>
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|
<r> 8.1580 0.0000 </r>
|
|
<r> 8.3450 0.0000 </r>
|
|
<r> 10.4604 0.0000 </r>
|
|
<r> 11.7435 0.0000 </r>
|
|
<r> 13.3794 0.0000 </r>
|
|
<r> 15.8365 0.0000 </r>
|
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</set>
|
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<set comment="kpoint 107">
|
|
<r> -91.8810 1.0000 </r>
|
|
<r> -91.4260 1.0000 </r>
|
|
<r> -91.2910 1.0000 </r>
|
|
<r> -65.7462 1.0000 </r>
|
|
<r> -30.0381 1.0000 </r>
|
|
<r> -30.0233 1.0000 </r>
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|
<r> -29.8152 1.0000 </r>
|
|
<r> -0.5089 1.0000 </r>
|
|
<r> 2.5736 1.0000 </r>
|
|
<r> 4.3507 1.0000 </r>
|
|
<r> 5.0102 1.0000 </r>
|
|
<r> 6.4989 1.0000 </r>
|
|
<r> 7.9569 0.1473 </r>
|
|
<r> 8.4473 0.0000 </r>
|
|
<r> 10.1404 0.0000 </r>
|
|
<r> 12.0883 0.0000 </r>
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|
<r> 13.4032 0.0000 </r>
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|
<r> 15.1473 0.0000 </r>
|
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</set>
|
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<set comment="kpoint 108">
|
|
<r> -91.8807 1.0000 </r>
|
|
<r> -91.4257 1.0000 </r>
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|
<r> -91.2907 1.0000 </r>
|
|
<r> -65.7461 1.0000 </r>
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|
<r> -30.0373 1.0000 </r>
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|
<r> -30.0321 1.0000 </r>
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|
<r> -29.8143 1.0000 </r>
|
|
<r> -0.2806 1.0000 </r>
|
|
<r> 2.5705 1.0000 </r>
|
|
<r> 4.1067 1.0000 </r>
|
|
<r> 4.9666 1.0000 </r>
|
|
<r> 6.5721 1.0000 </r>
|
|
<r> 7.6198 0.9999 </r>
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|
<r> 8.7017 0.0000 </r>
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|
<r> 9.7782 0.0000 </r>
|
|
<r> 12.2391 0.0000 </r>
|
|
<r> 13.5917 0.0000 </r>
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|
<r> 15.4441 0.0000 </r>
|
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</set>
|
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<set comment="kpoint 109">
|
|
<r> -91.8805 1.0000 </r>
|
|
<r> -91.4255 1.0000 </r>
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|
<r> -91.2905 1.0000 </r>
|
|
<r> -65.7459 1.0000 </r>
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|
<r> -30.0422 1.0000 </r>
|
|
<r> -30.0363 1.0000 </r>
|
|
<r> -29.8134 1.0000 </r>
|
|
<r> 0.0188 1.0000 </r>
|
|
<r> 2.4896 1.0000 </r>
|
|
<r> 3.9304 1.0000 </r>
|
|
<r> 4.8876 1.0000 </r>
|
|
<r> 6.6514 1.0000 </r>
|
|
<r> 7.3330 1.0000 </r>
|
|
<r> 8.9105 0.0000 </r>
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|
<r> 9.5027 0.0000 </r>
|
|
<r> 12.0077 0.0000 </r>
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|
<r> 14.3536 0.0000 </r>
|
|
<r> 16.5093 0.0000 </r>
|
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</set>
|
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<set comment="kpoint 110">
|
|
<r> -91.8802 1.0000 </r>
|
|
<r> -91.4252 1.0000 </r>
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|
<r> -91.2902 1.0000 </r>
|
|
<r> -65.7457 1.0000 </r>
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|
<r> -30.0518 1.0000 </r>
|
|
<r> -30.0354 1.0000 </r>
|
|
<r> -29.8125 1.0000 </r>
|
|
<r> 0.3709 1.0000 </r>
|
|
<r> 2.2835 1.0000 </r>
|
|
<r> 3.8916 1.0000 </r>
|
|
<r> 4.7617 1.0000 </r>
|
|
<r> 6.7183 1.0000 </r>
|
|
<r> 7.1436 1.0000 </r>
|
|
<r> 8.9049 0.0000 </r>
|
|
<r> 9.4941 0.0000 </r>
|
|
<r> 11.7396 0.0000 </r>
|
|
<r> 15.6793 0.0000 </r>
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|
<r> 16.9345 0.0000 </r>
|
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</set>
|
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<set comment="kpoint 111">
|
|
<r> -91.8798 1.0000 </r>
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|
<r> -91.4248 1.0000 </r>
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|
<r> -91.2898 1.0000 </r>
|
|
<r> -65.7455 1.0000 </r>
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|
<r> -30.0593 1.0000 </r>
|
|
<r> -30.0348 1.0000 </r>
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|
<r> -29.8117 1.0000 </r>
|
|
<r> 0.7545 1.0000 </r>
|
|
<r> 1.9742 1.0000 </r>
|
|
<r> 3.9744 1.0000 </r>
|
|
<r> 4.5954 1.0000 </r>
|
|
<r> 6.7577 1.0000 </r>
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|
<r> 7.0518 1.0000 </r>
|
|
<r> 8.7886 0.0000 </r>
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|
<r> 9.6473 0.0000 </r>
|
|
<r> 11.3101 0.0000 </r>
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|
<r> 14.0340 0.0000 </r>
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|
<r> 16.7643 0.0000 </r>
|
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</set>
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<set comment="kpoint 112">
|
|
<r> -91.8795 1.0000 </r>
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|
<r> -91.4245 1.0000 </r>
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|
<r> -91.2895 1.0000 </r>
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|
<r> -65.7454 1.0000 </r>
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<r> -30.0633 1.0000 </r>
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<r> -30.0343 1.0000 </r>
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<r> -29.8114 1.0000 </r>
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<r> 1.1319 1.0000 </r>
|
|
<r> 1.6271 1.0000 </r>
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<r> 4.1052 1.0000 </r>
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|
<r> 4.4298 1.0000 </r>
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|
<r> 6.7711 1.0000 </r>
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<r> 7.0239 1.0000 </r>
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|
<r> 8.7206 0.0000 </r>
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|
<r> 9.7665 0.0000 </r>
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|
<r> 11.0890 0.0000 </r>
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|
<r> 13.9788 0.0000 </r>
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|
<r> 16.9520 0.0000 </r>
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</set>
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<set comment="kpoint 113">
|
|
<r> -91.8810 1.0000 </r>
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|
<r> -91.4260 1.0000 </r>
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|
<r> -91.2910 1.0000 </r>
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<r> -65.7462 1.0000 </r>
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<r> -30.0493 1.0000 </r>
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<r> -30.0141 1.0000 </r>
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<r> -29.8149 1.0000 </r>
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<r> -0.2288 1.0000 </r>
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<r> 1.8983 1.0000 </r>
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<r> 4.6283 1.0000 </r>
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<r> 4.8575 1.0000 </r>
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<r> 6.2772 1.0000 </r>
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<r> 8.4945 0.0000 </r>
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<r> 8.5804 0.0000 </r>
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<r> 10.9224 0.0000 </r>
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<r> 11.9786 0.0000 </r>
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|
<r> 12.7899 0.0000 </r>
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|
<r> 14.9087 0.0000 </r>
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</set>
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<set comment="kpoint 114">
|
|
<r> -91.8809 1.0000 </r>
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|
<r> -91.4259 1.0000 </r>
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<r> -91.2909 1.0000 </r>
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<r> -65.7461 1.0000 </r>
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<r> -30.0491 1.0000 </r>
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<r> -30.0162 1.0000 </r>
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<r> -29.8147 1.0000 </r>
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<r> -0.1792 1.0000 </r>
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<r> 1.9074 1.0000 </r>
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<r> 4.5762 1.0000 </r>
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<r> 4.8487 1.0000 </r>
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<r> 6.2969 1.0000 </r>
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<r> 8.3585 0.0000 </r>
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<r> 8.6284 0.0000 </r>
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<r> 10.7823 0.0000 </r>
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<r> 12.0806 0.0000 </r>
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<r> 12.8868 0.0000 </r>
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<r> 15.2348 0.0000 </r>
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</set>
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<set comment="kpoint 115">
|
|
<r> -91.8809 1.0000 </r>
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<r> -91.4259 1.0000 </r>
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|
<r> -91.2909 1.0000 </r>
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<r> -65.7460 1.0000 </r>
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<r> -30.0486 1.0000 </r>
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<r> -30.0222 1.0000 </r>
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<r> -29.8141 1.0000 </r>
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<r> -0.0352 1.0000 </r>
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<r> 1.9332 1.0000 </r>
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<r> 4.4339 1.0000 </r>
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<r> 4.8242 1.0000 </r>
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<r> 6.3536 1.0000 </r>
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<r> 8.0475 0.0099 </r>
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<r> 8.7378 0.0000 </r>
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<r> 10.4554 0.0000 </r>
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<r> 12.1158 0.0000 </r>
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<r> 13.2657 0.0000 </r>
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<r> 14.9000 0.0000 </r>
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<set comment="kpoint 116">
|
|
<r> -91.8807 1.0000 </r>
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<r> -91.4257 1.0000 </r>
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<r> -91.2907 1.0000 </r>
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<r> -65.7458 1.0000 </r>
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<r> -30.0478 1.0000 </r>
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<r> -30.0311 1.0000 </r>
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<r> -29.8133 1.0000 </r>
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<r> 0.1893 1.0000 </r>
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<r> 1.9679 1.0000 </r>
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<r> 4.2451 1.0000 </r>
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<r> 4.7769 1.0000 </r>
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<r> 6.4400 1.0000 </r>
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<r> 7.6916 0.9966 </r>
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<r> 8.8745 0.0000 </r>
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<r> 10.0643 0.0000 </r>
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<r> 11.9241 0.0000 </r>
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|
<r> 13.8014 0.0000 </r>
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<r> 15.2989 0.0000 </r>
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</set>
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<set comment="kpoint 117">
|
|
<r> -91.8807 1.0000 </r>
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|
<r> -91.4257 1.0000 </r>
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<r> -91.2907 1.0000 </r>
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<r> -65.7456 1.0000 </r>
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<r> -30.0469 1.0000 </r>
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<r> -30.0412 1.0000 </r>
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<r> -29.8123 1.0000 </r>
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<r> 0.4706 1.0000 </r>
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<r> 1.9998 1.0000 </r>
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<r> 4.0636 1.0000 </r>
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<r> 4.6916 1.0000 </r>
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<r> 6.5446 1.0000 </r>
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<r> 7.3787 1.0000 </r>
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<r> 8.9926 0.0000 </r>
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<r> 9.6981 0.0000 </r>
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<r> 11.6104 0.0000 </r>
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|
<r> 14.1038 0.0000 </r>
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<r> 15.9363 0.0000 </r>
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</set>
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<set comment="kpoint 118">
|
|
<r> -91.8803 1.0000 </r>
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<r> -91.4253 1.0000 </r>
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<r> -91.2903 1.0000 </r>
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<r> -65.7454 1.0000 </r>
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<r> -30.0508 1.0000 </r>
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<r> -30.0460 1.0000 </r>
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<r> -29.8114 1.0000 </r>
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<r> 0.7753 1.0000 </r>
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<r> 2.0098 1.0000 </r>
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<r> 3.9391 1.0000 </r>
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<r> 4.5583 1.0000 </r>
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<r> 6.6530 1.0000 </r>
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<r> 7.1493 1.0000 </r>
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<r> 9.0079 0.0000 </r>
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<r> 9.4727 0.0000 </r>
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<r> 11.2802 0.0000 </r>
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|
<r> 14.0000 0.0000 </r>
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|
<r> 16.5368 0.0000 </r>
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</set>
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<set comment="kpoint 119">
|
|
<r> -91.8795 1.0000 </r>
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|
<r> -91.4245 1.0000 </r>
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<r> -91.2895 1.0000 </r>
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<r> -65.7452 1.0000 </r>
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<r> -30.0583 1.0000 </r>
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<r> -30.0454 1.0000 </r>
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<r> -29.8107 1.0000 </r>
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<r> 1.0560 1.0000 </r>
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<r> 1.9838 1.0000 </r>
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<r> 3.9064 1.0000 </r>
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<r> 4.3863 1.0000 </r>
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<r> 6.7511 1.0000 </r>
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<r> 7.0039 1.0000 </r>
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<r> 8.8800 0.0000 </r>
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<r> 9.4519 0.0000 </r>
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<r> 11.0055 0.0000 </r>
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|
<r> 13.8522 0.0000 </r>
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<r> 16.8940 0.0000 </r>
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<set comment="kpoint 120">
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|
<r> -91.8797 1.0000 </r>
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<r> -91.4247 1.0000 </r>
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<r> -91.2896 1.0000 </r>
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<r> -65.7452 1.0000 </r>
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<r> -30.0624 1.0000 </r>
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<r> -30.0450 1.0000 </r>
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<r> -29.8103 1.0000 </r>
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<r> 1.2424 1.0000 </r>
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<r> 1.9383 1.0000 </r>
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<r> 3.9540 1.0000 </r>
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<r> 4.2239 1.0000 </r>
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<r> 6.8299 1.0000 </r>
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<r> 6.9158 1.0000 </r>
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<r> 8.7739 0.0000 </r>
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<r> 9.4832 0.0000 </r>
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<r> 10.8480 0.0000 </r>
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<r> 13.7576 0.0000 </r>
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<r> 16.7488 0.0000 </r>
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<set comment="kpoint 121">
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<r> -91.8809 1.0000 </r>
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<r> -91.4259 1.0000 </r>
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<r> -91.2908 1.0000 </r>
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<r> -65.7460 1.0000 </r>
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<r> -30.0134 1.0000 </r>
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<r> 0.2043 1.0000 </r>
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<r> 1.3732 1.0000 </r>
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<r> 4.6240 1.0000 </r>
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<r> 4.7616 1.0000 </r>
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<r> 6.1883 1.0000 </r>
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<r> 8.9674 0.0000 </r>
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<r> 12.6025 0.0000 </r>
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<r> 14.7790 0.0000 </r>
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<set comment="kpoint 122">
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<r> -91.8807 1.0000 </r>
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<r> -91.2907 1.0000 </r>
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<r> -65.7460 1.0000 </r>
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<r> -30.0156 1.0000 </r>
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<r> 0.2601 1.0000 </r>
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<r> 1.3783 1.0000 </r>
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<r> 4.6072 1.0000 </r>
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<r> 4.7289 1.0000 </r>
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<r> 6.2110 1.0000 </r>
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<r> 8.9806 0.0000 </r>
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<r> 10.9757 0.0000 </r>
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<r> 11.9688 0.0000 </r>
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<r> 12.8374 0.0000 </r>
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<r> 14.6721 0.0000 </r>
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<set comment="kpoint 123">
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<r> -91.8805 1.0000 </r>
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<r> -91.4255 1.0000 </r>
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<r> -91.2905 1.0000 </r>
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<r> -65.7458 1.0000 </r>
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<r> -30.0216 1.0000 </r>
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<r> -29.8135 1.0000 </r>
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<r> 0.4205 1.0000 </r>
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<r> 1.3934 1.0000 </r>
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<r> 4.5342 1.0000 </r>
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<r> 4.6626 1.0000 </r>
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<r> 6.2753 1.0000 </r>
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<r> 13.4681 0.0000 </r>
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<r> 14.6325 0.0000 </r>
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<set comment="kpoint 124">
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<r> -91.8806 1.0000 </r>
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<r> -65.7457 1.0000 </r>
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<r> -30.0305 1.0000 </r>
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<r> -29.8127 1.0000 </r>
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<r> -91.8804 1.0000 </r>
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<set comment="kpoint 165">
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<r> -91.8806 1.0000 </r>
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<set comment="kpoint 166">
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<r> -91.8804 1.0000 </r>
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<set comment="kpoint 167">
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<r> -91.8805 1.0000 </r>
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<set comment="kpoint 168">
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<r> -91.8798 1.0000 </r>
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<set comment="kpoint 169">
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<set comment="kpoint 170">
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<r> -91.8809 1.0000 </r>
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<set comment="kpoint 171">
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<r> -91.8808 1.0000 </r>
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<set comment="kpoint 172">
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<set comment="kpoint 173">
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<set comment="kpoint 174">
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<set comment="kpoint 175">
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<set comment="kpoint 178">
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<r> 6.9228 1.0000 </r>
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<r> 10.4464 0.0000 </r>
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<r> 11.5965 0.0000 </r>
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<r> 13.3203 0.0000 </r>
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<set comment="kpoint 462">
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<r> -91.8799 1.0000 </r>
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<r> -65.7388 1.0000 </r>
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<r> 4.7455 1.0000 </r>
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<r> 5.3763 1.0000 </r>
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<r> 6.6315 1.0000 </r>
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<r> 14.4175 0.0000 </r>
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<set comment="kpoint 463">
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<r> -91.8801 1.0000 </r>
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<r> -65.7386 1.0000 </r>
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<r> 2.2630 1.0000 </r>
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<r> 4.4722 1.0000 </r>
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<r> 4.7995 1.0000 </r>
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<r> 5.4863 1.0000 </r>
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<r> 6.4480 1.0000 </r>
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<r> 11.6147 0.0000 </r>
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<r> 12.5272 0.0000 </r>
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<set comment="kpoint 464">
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<r> -91.8798 1.0000 </r>
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<r> -91.2898 1.0000 </r>
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<r> 4.8365 1.0000 </r>
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<r> 5.5489 1.0000 </r>
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<r> 12.3538 0.0000 </r>
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<set comment="kpoint 465">
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<r> -91.8809 1.0000 </r>
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<r> 4.6768 1.0000 </r>
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<r> 4.8227 1.0000 </r>
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<r> 13.8872 0.0000 </r>
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<set comment="kpoint 466">
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<r> -91.8802 1.0000 </r>
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<set comment="kpoint 467">
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<set comment="kpoint 468">
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<set comment="kpoint 469">
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<r> -91.8800 1.0000 </r>
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<set comment="kpoint 470">
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<set comment="kpoint 471">
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<set comment="kpoint 472">
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<set comment="kpoint 473">
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<set comment="kpoint 474">
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<set comment="kpoint 476">
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<set comment="kpoint 477">
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<r> 4.6470 1.0000 </r>
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<r> 4.9310 1.0000 </r>
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<r> 4.9604 1.0000 </r>
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<r> 6.8399 1.0000 </r>
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<r> 11.6789 0.0000 </r>
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<set comment="kpoint 482">
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<r> -91.8811 1.0000 </r>
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<r> -65.7387 1.0000 </r>
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<r> -29.9955 1.0000 </r>
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<r> 1.4097 1.0000 </r>
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<r> 2.0396 1.0000 </r>
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<r> 4.6145 1.0000 </r>
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<r> 4.7530 1.0000 </r>
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<r> 5.1891 1.0000 </r>
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<r> 6.7162 1.0000 </r>
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<r> 10.1096 0.0000 </r>
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<r> 11.6000 0.0000 </r>
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<r> 13.1316 0.0000 </r>
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<r> 37.6273 0.0000 </r>
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<set comment="kpoint 483">
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<r> -91.8805 1.0000 </r>
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<r> -91.4255 1.0000 </r>
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<r> -91.2905 1.0000 </r>
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<r> -65.7386 1.0000 </r>
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<r> -30.0305 1.0000 </r>
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<r> -30.0017 1.0000 </r>
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<r> 1.5583 1.0000 </r>
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<r> 2.1490 1.0000 </r>
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<r> 4.4268 1.0000 </r>
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<r> 4.7673 1.0000 </r>
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<r> 5.4207 1.0000 </r>
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<r> 6.4119 1.0000 </r>
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<r> 9.5620 0.0000 </r>
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<r> 11.5431 0.0000 </r>
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<r> 13.8192 0.0000 </r>
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<r> 14.7273 0.0000 </r>
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<set comment="kpoint 484">
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<r> -91.8807 1.0000 </r>
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<r> 1.7596 1.0000 </r>
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<r> 2.3479 1.0000 </r>
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<r> 4.2353 1.0000 </r>
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<r> 4.8561 1.0000 </r>
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<r> 5.6156 1.0000 </r>
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<r> 6.0522 1.0000 </r>
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<r> 11.4301 0.0000 </r>
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<r> 13.3676 0.0000 </r>
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<r> 14.5676 0.0000 </r>
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<set comment="kpoint 485">
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<r> -91.8806 1.0000 </r>
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<r> -65.7382 1.0000 </r>
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<r> -30.0216 1.0000 </r>
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<r> 1.9573 1.0000 </r>
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<r> 2.6478 1.0000 </r>
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<r> 4.0985 1.0000 </r>
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<r> 4.9571 1.0000 </r>
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<r> 5.6139 1.0000 </r>
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<r> 5.8909 1.0000 </r>
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<r> 11.3423 0.0000 </r>
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<r> 13.7094 0.0000 </r>
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<r> 15.7553 0.0000 </r>
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<set comment="kpoint 486">
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<r> -91.8806 1.0000 </r>
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<r> 2.1129 1.0000 </r>
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<r> 3.0175 1.0000 </r>
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<r> 4.0379 1.0000 </r>
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<r> 4.9190 1.0000 </r>
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<r> 5.5211 1.0000 </r>
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<r> 5.9990 1.0000 </r>
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<r> 7.5405 1.0000 </r>
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<r> 11.4577 0.0000 </r>
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<r> 13.7122 0.0000 </r>
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<r> 15.9308 0.0000 </r>
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<set comment="kpoint 487">
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<r> -91.8811 1.0000 </r>
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<r> -91.2911 1.0000 </r>
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<r> -65.7379 1.0000 </r>
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<r> -30.0287 1.0000 </r>
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<r> 2.2149 1.0000 </r>
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<r> 3.3832 1.0000 </r>
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<r> 4.0564 1.0000 </r>
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<r> 4.6690 1.0000 </r>
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<r> 5.6796 1.0000 </r>
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<r> 6.0916 1.0000 </r>
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<r> 7.0870 1.0000 </r>
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<r> 11.5424 0.0000 </r>
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<r> 14.3066 0.0000 </r>
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<r> 15.5761 0.0000 </r>
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<set comment="kpoint 488">
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<r> -91.8814 1.0000 </r>
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<r> -91.2914 1.0000 </r>
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<r> -65.7378 1.0000 </r>
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<r> -30.0440 1.0000 </r>
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<r> -30.0285 1.0000 </r>
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<r> -29.9994 1.0000 </r>
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<r> 2.2640 1.0000 </r>
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<r> 3.6435 1.0000 </r>
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<r> 4.1382 1.0000 </r>
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<r> 4.4048 1.0000 </r>
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<r> 5.8558 1.0000 </r>
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<r> 6.1352 1.0000 </r>
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<r> 6.8387 1.0000 </r>
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<r> 11.5772 0.0000 </r>
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<r> 14.3099 0.0000 </r>
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<r> 14.9653 0.0000 </r>
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<set comment="kpoint 489">
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<r> -91.8808 1.0000 </r>
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<r> 4.6783 1.0000 </r>
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<r> 4.9977 1.0000 </r>
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<r> 5.1255 1.0000 </r>
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<set comment="kpoint 490">
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<r> -91.8804 1.0000 </r>
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<r> 4.6697 1.0000 </r>
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<r> 4.8109 1.0000 </r>
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<r> 5.3294 1.0000 </r>
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<r> 12.6587 0.0000 </r>
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<set comment="kpoint 491">
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<r> 13.4966 0.0000 </r>
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<set comment="kpoint 492">
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<r> -91.8807 1.0000 </r>
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<r> 13.9612 0.0000 </r>
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<set comment="kpoint 493">
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<r> -91.8809 1.0000 </r>
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<r> 5.9945 1.0000 </r>
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<r> 13.4783 0.0000 </r>
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<set comment="kpoint 494">
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<r> -91.8810 1.0000 </r>
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<r> 13.1952 0.0000 </r>
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<set comment="kpoint 495">
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<r> 4.8268 1.0000 </r>
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<r> 13.1926 0.0000 </r>
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<set comment="kpoint 496">
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<set comment="kpoint 497">
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<set comment="kpoint 498">
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<set comment="kpoint 499">
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<set comment="kpoint 500">
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<set comment="kpoint 501">
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|
|
<r> -35.7972 0.0000 8.0000 </r>
|
|
<r> -35.2936 0.0000 8.0000 </r>
|
|
<r> -34.7899 0.0000 8.0000 </r>
|
|
<r> -34.2863 0.0000 8.0000 </r>
|
|
<r> -33.7827 0.0000 8.0000 </r>
|
|
<r> -33.2791 0.0000 8.0000 </r>
|
|
<r> -32.7755 0.0000 8.0000 </r>
|
|
<r> -32.2719 0.0000 8.0000 </r>
|
|
<r> -31.7682 0.0000 8.0000 </r>
|
|
<r> -31.2646 0.0000 8.0000 </r>
|
|
<r> -30.7610 0.0000 8.0000 </r>
|
|
<r> -30.2574 0.0062 8.0031 </r>
|
|
<r> -29.7538 11.6675 13.8791 </r>
|
|
<r> -29.2502 0.2401 14.0000 </r>
|
|
<r> -28.7465 0.0000 14.0000 </r>
|
|
<r> -28.2429 0.0000 14.0000 </r>
|
|
<r> -27.7393 0.0000 14.0000 </r>
|
|
<r> -27.2357 0.0000 14.0000 </r>
|
|
<r> -26.7321 0.0000 14.0000 </r>
|
|
<r> -26.2285 0.0000 14.0000 </r>
|
|
<r> -25.7248 0.0000 14.0000 </r>
|
|
<r> -25.2212 0.0000 14.0000 </r>
|
|
<r> -24.7176 0.0000 14.0000 </r>
|
|
<r> -24.2140 0.0000 14.0000 </r>
|
|
<r> -23.7104 0.0000 14.0000 </r>
|
|
<r> -23.2068 0.0000 14.0000 </r>
|
|
<r> -22.7031 0.0000 14.0000 </r>
|
|
<r> -22.1995 0.0000 14.0000 </r>
|
|
<r> -21.6959 0.0000 14.0000 </r>
|
|
<r> -21.1923 0.0000 14.0000 </r>
|
|
<r> -20.6887 0.0000 14.0000 </r>
|
|
<r> -20.1851 0.0000 14.0000 </r>
|
|
<r> -19.6815 0.0000 14.0000 </r>
|
|
<r> -19.1778 0.0000 14.0000 </r>
|
|
<r> -18.6742 0.0000 14.0000 </r>
|
|
<r> -18.1706 0.0000 14.0000 </r>
|
|
<r> -17.6670 0.0000 14.0000 </r>
|
|
<r> -17.1634 0.0000 14.0000 </r>
|
|
<r> -16.6598 0.0000 14.0000 </r>
|
|
<r> -16.1561 0.0000 14.0000 </r>
|
|
<r> -15.6525 0.0000 14.0000 </r>
|
|
<r> -15.1489 0.0000 14.0000 </r>
|
|
<r> -14.6453 0.0000 14.0000 </r>
|
|
<r> -14.1417 0.0000 14.0000 </r>
|
|
<r> -13.6381 0.0000 14.0000 </r>
|
|
<r> -13.1344 0.0000 14.0000 </r>
|
|
<r> -12.6308 0.0000 14.0000 </r>
|
|
<r> -12.1272 0.0000 14.0000 </r>
|
|
<r> -11.6236 0.0000 14.0000 </r>
|
|
<r> -11.1200 0.0000 14.0000 </r>
|
|
<r> -10.6164 0.0000 14.0000 </r>
|
|
<r> -10.1127 0.0000 14.0000 </r>
|
|
<r> -9.6091 0.0000 14.0000 </r>
|
|
<r> -9.1055 0.0000 14.0000 </r>
|
|
<r> -8.6019 0.0000 14.0000 </r>
|
|
<r> -8.0983 0.0000 14.0000 </r>
|
|
<r> -7.5947 0.0000 14.0000 </r>
|
|
<r> -7.0910 0.0000 14.0000 </r>
|
|
<r> -6.5874 0.0000 14.0000 </r>
|
|
<r> -6.0838 0.0000 14.0000 </r>
|
|
<r> -5.5802 0.0000 14.0000 </r>
|
|
<r> -5.0766 0.0000 14.0000 </r>
|
|
<r> -4.5730 0.0000 14.0000 </r>
|
|
<r> -4.0694 0.0000 14.0000 </r>
|
|
<r> -3.5657 0.0000 14.0000 </r>
|
|
<r> -3.0621 0.0000 14.0000 </r>
|
|
<r> -2.5585 0.0000 14.0000 </r>
|
|
<r> -2.0549 0.0009 14.0005 </r>
|
|
<r> -1.5513 0.1132 14.0574 </r>
|
|
<r> -1.0477 0.2483 14.1825 </r>
|
|
<r> -0.5440 0.3448 14.3561 </r>
|
|
<r> -0.0404 0.4543 14.5849 </r>
|
|
<r> 0.4632 0.5588 14.8664 </r>
|
|
<r> 0.9668 0.6103 15.1737 </r>
|
|
<r> 1.4704 0.8493 15.6014 </r>
|
|
<r> 1.9740 1.0615 16.1360 </r>
|
|
<r> 2.4777 1.1259 16.7031 </r>
|
|
<r> 2.9813 0.9778 17.1955 </r>
|
|
<r> 3.4849 0.7572 17.5768 </r>
|
|
<r> 3.9885 0.9446 18.0526 </r>
|
|
<r> 4.4921 2.2831 19.2023 </r>
|
|
<r> 4.9957 3.6694 21.0503 </r>
|
|
<r> 5.4994 2.8044 22.4627 </r>
|
|
<r> 6.0030 2.3933 23.6680 </r>
|
|
<r> 6.5066 1.9045 24.6271 </r>
|
|
<r> 7.0102 1.3513 25.3077 </r>
|
|
<r> 7.5138 0.8062 25.7137 </r>
|
|
<r> 8.0174 0.7272 26.0799 </r>
|
|
<r> 8.5211 0.8382 26.5020 </r>
|
|
<r> 9.0247 1.4316 27.2230 </r>
|
|
<r> 9.5283 1.9155 28.1877 </r>
|
|
<r> 10.0319 1.7300 29.0590 </r>
|
|
<r> 10.5355 1.5459 29.8375 </r>
|
|
<r> 11.0391 1.1419 30.4126 </r>
|
|
<r> 11.5427 1.3555 31.0952 </r>
|
|
<r> 12.0464 1.2953 31.7476 </r>
|
|
<r> 12.5500 0.5429 32.0210 </r>
|
|
<r> 13.0536 0.4473 32.2462 </r>
|
|
<r> 13.5572 0.8282 32.6634 </r>
|
|
<r> 14.0608 1.1877 33.2615 </r>
|
|
<r> 14.5644 1.1003 33.8156 </r>
|
|
<r> 15.0681 1.3090 34.4749 </r>
|
|
<r> 15.5717 1.4011 35.1805 </r>
|
|
<r> 16.0753 0.7368 35.5516 </r>
|
|
<r> 16.5789 0.3354 35.7205 </r>
|
|
<r> 17.0825 0.2344 35.8385 </r>
|
|
<r> 17.5861 0.0350 35.8561 </r>
|
|
<r> 18.0898 0.0355 35.8740 </r>
|
|
<r> 18.5934 0.0265 35.8874 </r>
|
|
<r> 19.0970 0.0000 35.8874 </r>
|
|
<r> 19.6006 0.0175 35.8962 </r>
|
|
<r> 20.1042 0.0059 35.8992 </r>
|
|
<r> 20.6078 0.0000 35.8993 </r>
|
|
<r> 21.1115 0.0000 35.8993 </r>
|
|
<r> 21.6151 0.0004 35.8995 </r>
|
|
<r> 22.1187 0.0043 35.9016 </r>
|
|
<r> 22.6223 0.0000 35.9016 </r>
|
|
<r> 23.1259 0.0000 35.9016 </r>
|
|
<r> 23.6295 0.0000 35.9016 </r>
|
|
<r> 24.1332 0.0047 35.9040 </r>
|
|
<r> 24.6368 0.0000 35.9040 </r>
|
|
<r> 25.1404 0.0000 35.9040 </r>
|
|
<r> 25.6440 0.0000 35.9040 </r>
|
|
<r> 26.1476 0.0000 35.9040 </r>
|
|
<r> 26.6512 0.0000 35.9040 </r>
|
|
<r> 27.1548 0.0000 35.9040 </r>
|
|
<r> 27.6585 0.0000 35.9040 </r>
|
|
<r> 28.1621 0.0000 35.9040 </r>
|
|
<r> 28.6657 0.0000 35.9040 </r>
|
|
<r> 29.1693 0.0000 35.9040 </r>
|
|
<r> 29.6729 0.0000 35.9040 </r>
|
|
<r> 30.1765 0.0000 35.9040 </r>
|
|
<r> 30.6802 0.0000 35.9040 </r>
|
|
<r> 31.1838 0.0001 35.9040 </r>
|
|
<r> 31.6874 0.0186 35.9134 </r>
|
|
<r> 32.1910 0.0092 35.9180 </r>
|
|
<r> 32.6946 0.0003 35.9182 </r>
|
|
<r> 33.1982 0.0094 35.9230 </r>
|
|
<r> 33.7019 0.0000 35.9230 </r>
|
|
<r> 34.2055 0.0107 35.9284 </r>
|
|
<r> 34.7091 0.0081 35.9324 </r>
|
|
<r> 35.2127 0.0000 35.9324 </r>
|
|
<r> 35.7163 0.0223 35.9437 </r>
|
|
<r> 36.2199 0.0077 35.9475 </r>
|
|
<r> 36.7236 0.0030 35.9490 </r>
|
|
<r> 37.2272 0.0047 35.9514 </r>
|
|
<r> 37.7308 0.0088 35.9558 </r>
|
|
<r> 38.2344 0.0020 35.9568 </r>
|
|
<r> 38.7380 0.0269 35.9704 </r>
|
|
<r> 39.2416 0.0102 35.9755 </r>
|
|
<r> 39.7453 0.0015 35.9763 </r>
|
|
<r> 40.2489 0.0000 35.9763 </r>
|
|
<r> 40.7525 0.0047 35.9787 </r>
|
|
<r> 41.2561 0.0000 35.9787 </r>
|
|
<r> 41.7597 0.0178 35.9876 </r>
|
|
<r> 42.2633 0.0114 35.9934 </r>
|
|
<r> 42.7670 0.0038 35.9953 </r>
|
|
<r> 43.2706 0.0000 35.9953 </r>
|
|
<r> 43.7742 0.0000 35.9953 </r>
|
|
<r> 44.2778 0.0000 35.9953 </r>
|
|
<r> 44.7814 0.0000 35.9953 </r>
|
|
<r> 45.2850 0.0000 35.9953 </r>
|
|
<r> 45.7886 0.0094 36.0000 </r>
|
|
<r> 46.2923 0.0000 36.0000 </r>
|
|
<r> 46.7959 0.0000 36.0000 </r>
|
|
<r> 47.2995 0.0000 36.0000 </r>
|
|
<r> 47.8031 0.0000 36.0000 </r>
|
|
<r> 48.3067 0.0000 36.0000 </r>
|
|
<r> 48.8103 0.0000 36.0000 </r>
|
|
<r> 49.3140 0.0000 36.0000 </r>
|
|
<r> 49.8176 0.0000 36.0000 </r>
|
|
<r> 50.3212 0.0000 36.0000 </r>
|
|
<r> 50.8248 0.0000 36.0000 </r>
|
|
<r> 51.3284 0.0000 36.0000 </r>
|
|
<r> 51.8320 0.0000 36.0000 </r>
|
|
<r> 52.3357 0.0000 36.0000 </r>
|
|
</set>
|
|
</set>
|
|
</array>
|
|
</total>
|
|
</dos>
|
|
</calculation>
|
|
<structure name="finalpos" >
|
|
<crystal>
|
|
<varray name="basis" >
|
|
<v> 3.66961100 0.00000000 0.00000000 </v>
|
|
<v> 0.00000000 3.55744000 0.00000000 </v>
|
|
<v> 0.00000000 0.00000000 3.17678100 </v>
|
|
</varray>
|
|
<i name="volume"> 41.47103646 </i>
|
|
<varray name="rec_basis" >
|
|
<v> 0.27250845 0.00000000 0.00000000 </v>
|
|
<v> 0.00000000 0.28110102 0.00000000 </v>
|
|
<v> 0.00000000 0.00000000 0.31478405 </v>
|
|
</varray>
|
|
</crystal>
|
|
<varray name="positions" >
|
|
<v> 0.00000000 0.00000000 0.00000000 </v>
|
|
<v> 0.00000000 0.50000000 0.50000000 </v>
|
|
<v> 0.50000000 0.00000000 0.50000000 </v>
|
|
<v> 0.50000000 0.50000000 0.00000000 </v>
|
|
</varray>
|
|
</structure>
|
|
</modeling>
|