84 lines
2.4 KiB
Plaintext
84 lines
2.4 KiB
Plaintext
#phonon dispersion for Cu at 298K
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# from Phys Rev 164, 922 (1967).
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# x v_298 v_49 dv qr
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#
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#00x from G (0,0,0) to X (0.5, 0, 0.5)
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0.20 2.440 2.43 0.040 0.141421
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0.30 3.560 3.56 0.040 0.212132
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0.40 4.500 4.56 0.050 0.282843
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0.50 5.420 5.44 0.070 0.353553
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0.60 6.140 6.15 0.100 0.424264
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0.70 6.660 6.66 0.100 0.494975
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0.80 6.900 6.90 0.150 0.565685
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0.90 7.150 7.18 0.170 0.636396
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1.00 7.200 7.25 0.200 0.707107
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#00x
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0.20 1.600 1.65 0.020 0.141421
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0.30 2.350 2.40 0.020 0.212132
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0.40 3.050 3.09 0.020 0.282843
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0.50 3.670 3.69 0.030 0.353553
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0.60 4.170 4.22 0.030 0.424264
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0.70 4.590 4.64 0.000 0.494975
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0.80 4.880 4.94 0.100 0.565685
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0.90 5.070 5.08 0.100 0.636396
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1.00 5.090 5.13 0.150 0.707107
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#xx0 from (0.5,1.0,0.5) to (0,0,0)
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0.10 1.960 2.01 0.02 2.51648
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0.20 3.670 3.73 0.03 2.39401
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0.30 5.030 5.1O 0.07 2.27153
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0.40 6.000 6.05 0.10 2.14906
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0.50 6.350 6.42 0.15 2.02659
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0.60 6.350 6.39 0.15 1.90411
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0.70 6.140 6.18 0.10 1.78164
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0.80 5.710 5.80 0.15 1.65916
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1.00 5.090 5.13 0.15 1.41421
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#xx0
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0.10 1.120 1.21 0.015 2.51648
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0.20 2.345 2.385 0.020 2.39401
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0.30 3.410 3.46 0.030 2.27153
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0.40 4.330 4.39 0.030 2.14906
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0.50 5.120 5.16 0.060 2.02659
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0.60 5.760 5.85 0.070 1.90411
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0.70 6.390 6.40 0.120 1.78164
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0.80 6.790 6.84 0.150 1.65916
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0.90 7.080 7.05 0.200 1.53669
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1.00 7.200 7.25 0.200 1.41421
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#xx0
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0.25 1.730 1.79 0.03 2.33277
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0.30 2.070 2.12 0.04 2.27153
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0.40 2.730 2.79 0.03 2.14906
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0.50 3.390 3.43 0.04 2.02659
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0.60 3.850 3.93 0.07 1.90411
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0.70 4.330 4.40 0.00 1.78164
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0.80 4.700 4.80 0.06 1.65916
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0.90 4.930 5.07 0.10 1.53669
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1.00 5.090 5.13 0.15 1.41421
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#xxx from (0,0,0) to (0.5, 0.5, 0.5)
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0.05 1.220 1.22 0.03 2.72556
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0.10 2.490 2.49 0.05 2.81216
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0.15 3.590 3.59 0.00 2.89877
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0.20 4.570 4.61 0.05 2.98537
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0.25 5.460 5.51 0.10 3.07197
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0.30 6.180 6.21 0.10 3.15857
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0.35 6.710 6.80 0.15 3.24518
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0.40 7.010 7.12 0.15 3.33178
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0.45 7.160 7.27 0.20 3.41838
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0.50 7.290 7.30 0.20 3.50498
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#xxx
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0.10 0.980 1.05 0.06 2.81216
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0.15 1.440 1.53 0.06 2.89877
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0.20 1.890 1.90 0.06 2.98537
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0.25 2.300 2.35 0.04 3.07197
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0.30 2.690 2.72 0.05 3.15857
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0.35 2.980 3.03 0.06 3.24518
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0.40 3.210 3.24 0.07 3.33178
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0.45 3.370 3.39 0.08 3.41838
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0.50 3.410 3.42 0.10 3.50498
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#10x from (0.5,0,0.5) via (0.5, 0.25, 0.75) then back to ( 0.5, 0., 0.5)
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0.50 4.890 4.95 0.09 1.06066
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0.60 4.970 4.96 0.09 1.13137
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0.70 5.000 4.98 0.10 1.20208
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0.80 5.020 5.08 0.10 1.27279
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0.90 5.050 5.11 0.10 1.3435
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1.00 5.090 5.13 0.15 1.41421
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