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iafoss
2020-05-18 17:28:48 -04:00
parent be93ef7b20
commit e26be18b1e
66 changed files with 3277 additions and 3532 deletions
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21
potentials/CNT_10_10/TPMA.xrs
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@ -1,21 +0,0 @@
10 10 20
1.38310128694773
1.35724209149762
1.32365748767981
1.29442479067528
1.26718337154593
1.24958609494311
1.24451289818673
1.23708643487397
1.22995846566678
1.22360130756455
1.21805814607791
1.21324855249729
1.20903840855456
1.20526799643516
1.20171559451527
1.19823073480505
1.19488513621680
1.19171041995885
1.18871927412810
1.18605209171295

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potentials/CNT_10_10/TPMSSTP.xrs → potentials/MESONT-TABTP_10_10.xrs
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@ -1,3 +1,6 @@
DATE 27-MAR-20
Tabulated data of the tubular potential for ( 10, 10) CNTs
A. N. Volkov, L. V. Zhigilei, J. Phys. Chem. C 114, 5513-5531, 2010. doi: 10.1021/jp906142h
10 10 1000 1000
0.00000000000000000E+00 0.00000000000000000E+00
-0.10557811324094224E-17 0.63808804195976917E-23
@ -696450,3 +696453,24 @@
0.00000000000000000E+00 0.00000000000000000E+00
0.00000000000000000E+00 0.00000000000000000E+00
0.00000000000000000E+00 0.00000000000000000E+00
10 10 20
1.38310128694773
1.35724209149762
1.32365748767981
1.29442479067528
1.26718337154593
1.24958609494311
1.24451289818673
1.23708643487397
1.22995846566678
1.22360130756455
1.21805814607791
1.21324855249729
1.20903840855456
1.20526799643516
1.20171559451527
1.19823073480505
1.19488513621680
1.19171041995885
1.18871927412810
1.18605209171295