----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:10:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.697238610031450 0.000000000000000 0.000000000000000 b 0.000000000000000 7.844613649999999 0.000000000000000 c -0.016929932115554 0.000000000000000 12.377626095575430 Atomic positions (fractional): *1 Se 0.54615741958338 0.16333558010661 0.09900325251017 78.960 *2 Se 0.72545265532168 0.17165519326200 0.81349367558999 78.960 3 Se 0.72545265532168 0.32834480673800 0.31349367558999 78.960 4 Se 0.27454734467831 0.82834480673800 0.18650632441001 78.960 *5 Se 0.27610558761633 0.46088689831085 0.00081444718997 78.960 6 Se 0.72389441238367 0.96088689831085 0.49918555281003 78.960 7 Se 0.72389441238367 0.53911310168915 0.99918555281003 78.960 8 Se 0.27610558761633 0.03911310168915 0.50081444718997 78.960 *9 Se 0.73690896155972 0.80212234290936 0.21949409110222 78.960 10 Se 0.26309103844028 0.30212234290936 0.28050590889778 78.960 11 Se 0.26309103844028 0.19787765709065 0.78050590889778 78.960 12 Se 0.54615741958338 0.33666441989339 0.59900325251017 78.960 *13 Se 0.95515816168417 0.17533554916385 0.08761430905022 78.960 14 Se 0.04484183831583 0.67533554916385 0.41238569094978 78.960 15 Se 0.04484183831583 0.82466445083615 0.91238569094978 78.960 16 Se 0.95515816168417 0.32466445083615 0.58761430905022 78.960 17 Se 0.73690896155972 0.69787765709064 0.71949409110222 78.960 18 Se 0.45384258041662 0.66333558010661 0.40099674748983 78.960 19 Se 0.45384258041662 0.83666441989339 0.90099674748983 78.960 20 Se 0.27454734467831 0.67165519326200 0.68650632441001 78.960 *21 Sr 0.99433558490940 0.03842911869458 0.32640081713656 87.620 22 Sr 0.00566441509060 0.53842911869458 0.17359918286344 87.620 23 Sr 0.00566441509060 0.96157088130542 0.67359918286344 87.620 24 Sr 0.99433558490940 0.46157088130542 0.82640081713656 87.620 *25 Th 0.24816987819989 0.42240773932628 0.51029002847577 232.038 26 Th 0.24816987819989 0.07759226067372 0.01029002847577 232.038 27 Th 0.75183012180011 0.57759226067372 0.48970997152423 232.038 28 Th 0.75183012180011 0.92240773932628 0.98970997152423 232.038 *29 Th 0.49906849207082 0.47839767544075 0.82049273414169 232.038 30 Th 0.50093150792918 0.97839767544075 0.67950726585831 232.038 31 Th 0.50093150792918 0.52160232455925 0.17950726585831 232.038 32 Th 0.49906849207082 0.02160232455925 0.32049273414169 232.038 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.697238610031450 0.000000000000000 0.000000000000000 b 0.000000000000000 7.844613649999999 0.000000000000000 c -0.016929932115554 0.000000000000000 12.377626095575430 Atomic positions (fractional): *1 Se 0.54615741958338 0.16333558010661 0.09900325251017 78.960 > 1 *2 Se 0.72545265532168 0.17165519326200 0.81349367558999 78.960 > 2 3 Se 0.72545265532168 0.32834480673800 0.31349367558999 78.960 > 3 4 Se 0.27454734467831 0.82834480673800 0.18650632441001 78.960 > 4 *5 Se 0.27610558761633 0.46088689831085 0.00081444718997 78.960 > 5 6 Se 0.72389441238367 0.96088689831085 0.49918555281003 78.960 > 6 7 Se 0.72389441238367 0.53911310168915 0.99918555281003 78.960 > 7 8 Se 0.27610558761633 0.03911310168915 0.50081444718997 78.960 > 8 *9 Se 0.73690896155972 0.80212234290936 0.21949409110222 78.960 > 9 10 Se 0.26309103844028 0.30212234290936 0.28050590889778 78.960 > 10 11 Se 0.26309103844028 0.19787765709065 0.78050590889778 78.960 > 11 12 Se 0.54615741958338 0.33666441989339 0.59900325251017 78.960 > 12 *13 Se 0.95515816168417 0.17533554916385 0.08761430905022 78.960 > 13 14 Se 0.04484183831583 0.67533554916385 0.41238569094978 78.960 > 14 15 Se 0.04484183831583 0.82466445083615 0.91238569094978 78.960 > 15 16 Se 0.95515816168417 0.32466445083615 0.58761430905022 78.960 > 16 17 Se 0.73690896155972 0.69787765709064 0.71949409110222 78.960 > 17 18 Se 0.45384258041662 0.66333558010661 0.40099674748983 78.960 > 18 19 Se 0.45384258041662 0.83666441989339 0.90099674748983 78.960 > 19 20 Se 0.27454734467831 0.67165519326200 0.68650632441001 78.960 > 20 *21 Sr 0.99433558490940 0.03842911869458 0.32640081713656 87.620 > 21 22 Sr 0.00566441509060 0.53842911869458 0.17359918286344 87.620 > 22 23 Sr 0.00566441509060 0.96157088130542 0.67359918286344 87.620 > 23 24 Sr 0.99433558490940 0.46157088130542 0.82640081713656 87.620 > 24 *25 Th 0.24816987819989 0.42240773932628 0.51029002847577 232.038 > 25 26 Th 0.24816987819989 0.07759226067372 0.01029002847577 232.038 > 26 27 Th 0.75183012180011 0.57759226067372 0.48970997152423 232.038 > 27 28 Th 0.75183012180011 0.92240773932628 0.98970997152423 232.038 > 28 *29 Th 0.49906849207082 0.47839767544075 0.82049273414169 232.038 > 29 30 Th 0.50093150792918 0.97839767544075 0.67950726585831 232.038 > 30 31 Th 0.50093150792918 0.52160232455925 0.17950726585831 232.038 > 31 32 Th 0.49906849207082 0.02160232455925 0.32049273414169 232.038 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.394477220062900 0.000000000000000 0.000000000000000 b 0.000000000000000 15.689227299999999 0.000000000000000 c -0.016929932115554 0.000000000000000 12.377626095575430 Atomic positions (fractional): *1 Se 0.27307870979169 0.08166779005330 0.09900325251017 78.960 > 1 2 Se 0.77307870979169 0.08166779005330 0.09900325251017 78.960 > 1 3 Se 0.27307870979169 0.58166779005330 0.09900325251017 78.960 > 1 4 Se 0.77307870979169 0.58166779005330 0.09900325251017 78.960 > 1 *5 Se 0.36272632766084 0.08582759663100 0.81349367558999 78.960 > 2 6 Se 0.86272632766084 0.08582759663100 0.81349367558999 78.960 > 2 7 Se 0.36272632766084 0.58582759663100 0.81349367558999 78.960 > 2 8 Se 0.86272632766084 0.58582759663100 0.81349367558999 78.960 > 2 9 Se 0.36272632766084 0.16417240336900 0.31349367558999 78.960 > 3 10 Se 0.86272632766084 0.16417240336900 0.31349367558999 78.960 > 3 11 Se 0.36272632766084 0.66417240336900 0.31349367558999 78.960 > 3 12 Se 0.86272632766084 0.66417240336900 0.31349367558999 78.960 > 3 13 Se 0.13727367233916 0.41417240336900 0.18650632441001 78.960 > 4 14 Se 0.63727367233916 0.41417240336900 0.18650632441001 78.960 > 4 15 Se 0.13727367233916 0.91417240336900 0.18650632441001 78.960 > 4 16 Se 0.63727367233916 0.91417240336900 0.18650632441001 78.960 > 4 *17 Se 0.13805279380817 0.23044344915543 0.00081444718997 78.960 > 5 18 Se 0.63805279380817 0.23044344915543 0.00081444718997 78.960 > 5 19 Se 0.13805279380817 0.73044344915543 0.00081444718997 78.960 > 5 20 Se 0.63805279380817 0.73044344915543 0.00081444718997 78.960 > 5 21 Se 0.36194720619183 0.48044344915543 0.49918555281003 78.960 > 6 22 Se 0.86194720619183 0.48044344915543 0.49918555281003 78.960 > 6 23 Se 0.36194720619183 0.98044344915543 0.49918555281003 78.960 > 6 24 Se 0.86194720619183 0.98044344915543 0.49918555281003 78.960 > 6 25 Se 0.36194720619183 0.26955655084457 0.99918555281003 78.960 > 7 26 Se 0.86194720619183 0.26955655084457 0.99918555281003 78.960 > 7 27 Se 0.36194720619183 0.76955655084457 0.99918555281003 78.960 > 7 28 Se 0.86194720619183 0.76955655084457 0.99918555281003 78.960 > 7 29 Se 0.13805279380817 0.01955655084457 0.50081444718997 78.960 > 8 30 Se 0.63805279380817 0.01955655084457 0.50081444718997 78.960 > 8 31 Se 0.13805279380817 0.51955655084457 0.50081444718997 78.960 > 8 32 Se 0.63805279380817 0.51955655084457 0.50081444718997 78.960 > 8 *33 Se 0.36845448077986 0.40106117145468 0.21949409110222 78.960 > 9 34 Se 0.86845448077986 0.40106117145468 0.21949409110222 78.960 > 9 35 Se 0.36845448077986 0.90106117145468 0.21949409110222 78.960 > 9 36 Se 0.86845448077986 0.90106117145468 0.21949409110222 78.960 > 9 37 Se 0.13154551922014 0.15106117145468 0.28050590889778 78.960 > 10 38 Se 0.63154551922014 0.15106117145468 0.28050590889778 78.960 > 10 39 Se 0.13154551922014 0.65106117145468 0.28050590889778 78.960 > 10 40 Se 0.63154551922014 0.65106117145468 0.28050590889778 78.960 > 10 41 Se 0.13154551922014 0.09893882854532 0.78050590889778 78.960 > 11 42 Se 0.63154551922014 0.09893882854532 0.78050590889778 78.960 > 11 43 Se 0.13154551922014 0.59893882854532 0.78050590889778 78.960 > 11 44 Se 0.63154551922014 0.59893882854532 0.78050590889778 78.960 > 11 45 Se 0.27307870979169 0.16833220994670 0.59900325251017 78.960 > 12 46 Se 0.77307870979169 0.16833220994670 0.59900325251017 78.960 > 12 47 Se 0.27307870979169 0.66833220994670 0.59900325251017 78.960 > 12 48 Se 0.77307870979169 0.66833220994670 0.59900325251017 78.960 > 12 *49 Se 0.47757908084208 0.08766777458192 0.08761430905022 78.960 > 13 50 Se 0.97757908084208 0.08766777458192 0.08761430905022 78.960 > 13 51 Se 0.47757908084208 0.58766777458192 0.08761430905022 78.960 > 13 52 Se 0.97757908084208 0.58766777458192 0.08761430905022 78.960 > 13 53 Se 0.02242091915792 0.33766777458192 0.41238569094978 78.960 > 14 54 Se 0.52242091915792 0.33766777458192 0.41238569094978 78.960 > 14 55 Se 0.02242091915792 0.83766777458192 0.41238569094978 78.960 > 14 56 Se 0.52242091915792 0.83766777458192 0.41238569094978 78.960 > 14 57 Se 0.02242091915792 0.41233222541808 0.91238569094978 78.960 > 15 58 Se 0.52242091915792 0.41233222541808 0.91238569094978 78.960 > 15 59 Se 0.02242091915792 0.91233222541808 0.91238569094978 78.960 > 15 60 Se 0.52242091915792 0.91233222541808 0.91238569094978 78.960 > 15 61 Se 0.47757908084208 0.16233222541808 0.58761430905022 78.960 > 16 62 Se 0.97757908084208 0.16233222541808 0.58761430905022 78.960 > 16 63 Se 0.47757908084208 0.66233222541808 0.58761430905022 78.960 > 16 64 Se 0.97757908084208 0.66233222541808 0.58761430905022 78.960 > 16 65 Se 0.36845448077986 0.34893882854532 0.71949409110222 78.960 > 17 66 Se 0.86845448077986 0.34893882854532 0.71949409110222 78.960 > 17 67 Se 0.36845448077986 0.84893882854532 0.71949409110222 78.960 > 17 68 Se 0.86845448077986 0.84893882854532 0.71949409110222 78.960 > 17 69 Se 0.22692129020831 0.33166779005330 0.40099674748983 78.960 > 18 70 Se 0.72692129020831 0.33166779005330 0.40099674748983 78.960 > 18 71 Se 0.22692129020831 0.83166779005330 0.40099674748983 78.960 > 18 72 Se 0.72692129020831 0.83166779005330 0.40099674748983 78.960 > 18 73 Se 0.22692129020831 0.41833220994670 0.90099674748983 78.960 > 19 74 Se 0.72692129020831 0.41833220994670 0.90099674748983 78.960 > 19 75 Se 0.22692129020831 0.91833220994670 0.90099674748983 78.960 > 19 76 Se 0.72692129020831 0.91833220994670 0.90099674748983 78.960 > 19 77 Se 0.13727367233916 0.33582759663100 0.68650632441001 78.960 > 20 78 Se 0.63727367233916 0.33582759663100 0.68650632441001 78.960 > 20 79 Se 0.13727367233916 0.83582759663100 0.68650632441001 78.960 > 20 80 Se 0.63727367233916 0.83582759663100 0.68650632441001 78.960 > 20 *81 Sr 0.49716779245470 0.01921455934729 0.32640081713656 87.620 > 21 82 Sr 0.99716779245470 0.01921455934729 0.32640081713656 87.620 > 21 83 Sr 0.49716779245470 0.51921455934729 0.32640081713656 87.620 > 21 84 Sr 0.99716779245470 0.51921455934729 0.32640081713656 87.620 > 21 85 Sr 0.00283220754530 0.26921455934729 0.17359918286344 87.620 > 22 86 Sr 0.50283220754530 0.26921455934729 0.17359918286344 87.620 > 22 87 Sr 0.00283220754530 0.76921455934729 0.17359918286344 87.620 > 22 88 Sr 0.50283220754530 0.76921455934729 0.17359918286344 87.620 > 22 89 Sr 0.00283220754530 0.48078544065271 0.67359918286344 87.620 > 23 90 Sr 0.50283220754530 0.48078544065271 0.67359918286344 87.620 > 23 91 Sr 0.00283220754530 0.98078544065271 0.67359918286344 87.620 > 23 92 Sr 0.50283220754530 0.98078544065271 0.67359918286344 87.620 > 23 93 Sr 0.49716779245470 0.23078544065271 0.82640081713656 87.620 > 24 94 Sr 0.99716779245470 0.23078544065271 0.82640081713656 87.620 > 24 95 Sr 0.49716779245470 0.73078544065271 0.82640081713656 87.620 > 24 96 Sr 0.99716779245470 0.73078544065271 0.82640081713656 87.620 > 24 *97 Th 0.12408493909995 0.21120386966314 0.51029002847577 232.038 > 25 98 Th 0.62408493909995 0.21120386966314 0.51029002847577 232.038 > 25 99 Th 0.12408493909995 0.71120386966314 0.51029002847577 232.038 > 25 100 Th 0.62408493909995 0.71120386966314 0.51029002847577 232.038 > 25 101 Th 0.12408493909995 0.03879613033686 0.01029002847577 232.038 > 26 102 Th 0.62408493909995 0.03879613033686 0.01029002847577 232.038 > 26 103 Th 0.12408493909995 0.53879613033686 0.01029002847577 232.038 > 26 104 Th 0.62408493909995 0.53879613033686 0.01029002847577 232.038 > 26 105 Th 0.37591506090005 0.28879613033686 0.48970997152423 232.038 > 27 106 Th 0.87591506090005 0.28879613033686 0.48970997152423 232.038 > 27 107 Th 0.37591506090005 0.78879613033686 0.48970997152423 232.038 > 27 108 Th 0.87591506090005 0.78879613033686 0.48970997152423 232.038 > 27 109 Th 0.37591506090005 0.46120386966314 0.98970997152423 232.038 > 28 110 Th 0.87591506090005 0.46120386966314 0.98970997152423 232.038 > 28 111 Th 0.37591506090005 0.96120386966314 0.98970997152423 232.038 > 28 112 Th 0.87591506090005 0.96120386966314 0.98970997152423 232.038 > 28 *113 Th 0.24953424603541 0.23919883772037 0.82049273414169 232.038 > 29 114 Th 0.74953424603541 0.23919883772037 0.82049273414169 232.038 > 29 115 Th 0.24953424603541 0.73919883772037 0.82049273414169 232.038 > 29 116 Th 0.74953424603541 0.73919883772037 0.82049273414169 232.038 > 29 117 Th 0.25046575396459 0.48919883772037 0.67950726585831 232.038 > 30 118 Th 0.75046575396459 0.48919883772037 0.67950726585831 232.038 > 30 119 Th 0.25046575396459 0.98919883772037 0.67950726585831 232.038 > 30 120 Th 0.75046575396459 0.98919883772037 0.67950726585831 232.038 > 30 121 Th 0.25046575396459 0.26080116227963 0.17950726585831 232.038 > 31 122 Th 0.75046575396459 0.26080116227963 0.17950726585831 232.038 > 31 123 Th 0.25046575396459 0.76080116227963 0.17950726585831 232.038 > 31 124 Th 0.75046575396459 0.76080116227963 0.17950726585831 232.038 > 31 125 Th 0.24953424603541 0.01080116227963 0.32049273414169 232.038 > 32 126 Th 0.74953424603541 0.01080116227963 0.32049273414169 232.038 > 32 127 Th 0.24953424603541 0.51080116227963 0.32049273414169 232.038 > 32 128 Th 0.74953424603541 0.51080116227963 0.32049273414169 232.038 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9436740 0.0000000 0.0604588 0.0000000 9.4280196 0.0000000 0.0604632 0.0000000 9.5390316 -------------------------- Born effective charges -------------------------- 1 Se -2.2003025 0.4170405 0.1026140 0.4654181 -2.7987848 -0.4701169 0.2279095 -0.5246264 -2.8539740 2 Se -2.4301992 0.1722994 -0.5321807 0.3298667 -3.2277286 0.2326394 -0.5709528 0.1357568 -2.4463169 3 Se -2.4301992 -0.1722994 -0.5321807 -0.3298667 -3.2277286 -0.2326394 -0.5709528 -0.1357568 -2.4463169 4 Se -2.4301992 0.1722994 -0.5321807 0.3298667 -3.2277286 0.2326394 -0.5709528 0.1357568 -2.4463169 5 Se -2.4151643 -0.4143444 0.0287552 -0.3983003 -2.2360359 -0.0829216 0.0683424 -0.1250187 -3.3027769 6 Se -2.4151643 0.4143444 0.0287552 0.3983003 -2.2360359 0.0829216 0.0683424 0.1250187 -3.3027769 7 Se -2.4151643 -0.4143444 0.0287552 -0.3983003 -2.2360359 -0.0829216 0.0683424 -0.1250187 -3.3027769 8 Se -2.4151643 0.4143444 0.0287552 0.3983003 -2.2360359 0.0829216 0.0683424 0.1250187 -3.3027769 9 Se -2.5165025 -0.0694953 0.3817968 -0.1389888 -2.7019743 0.1076482 0.3678340 -0.2333375 -2.8688572 10 Se -2.5165025 0.0694953 0.3817968 0.1389888 -2.7019743 -0.1076482 0.3678340 0.2333375 -2.8688572 11 Se -2.5165025 -0.0694953 0.3817968 -0.1389888 -2.7019743 0.1076482 0.3678340 -0.2333375 -2.8688572 12 Se -2.2003025 -0.4170405 0.1026140 -0.4654181 -2.7987848 0.4701169 0.2279095 0.5246264 -2.8539740 13 Se -3.4838991 -0.5928720 -0.0257523 -0.4477749 -2.2370706 -0.3670572 -0.0671887 -0.4234065 -2.0836832 14 Se -3.4838991 0.5928720 -0.0257523 0.4477749 -2.2370706 0.3670572 -0.0671887 0.4234065 -2.0836832 15 Se -3.4838991 -0.5928720 -0.0257523 -0.4477749 -2.2370706 -0.3670572 -0.0671887 -0.4234065 -2.0836832 16 Se -3.4838991 0.5928720 -0.0257523 0.4477749 -2.2370706 0.3670572 -0.0671887 0.4234065 -2.0836832 17 Se -2.5165025 0.0694953 0.3817968 0.1389888 -2.7019743 -0.1076482 0.3678340 0.2333375 -2.8688572 18 Se -2.2003025 -0.4170405 0.1026140 -0.4654181 -2.7987848 0.4701169 0.2279095 0.5246264 -2.8539740 19 Se -2.2003025 0.4170405 0.1026140 0.4654181 -2.7987848 -0.4701169 0.2279095 -0.5246264 -2.8539740 20 Se -2.4301992 -0.1722994 -0.5321807 -0.3298667 -3.2277286 -0.2326394 -0.5709528 -0.1357568 -2.4463169 21 Sr 3.3702690 0.1828895 -0.0801403 0.1084868 2.6113554 -0.0368868 0.0745015 -0.2802446 2.5765101 22 Sr 3.3702690 -0.1828895 -0.0801403 -0.1084868 2.6113554 0.0368868 0.0745015 0.2802446 2.5765101 23 Sr 3.3702690 0.1828895 -0.0801403 0.1084868 2.6113554 -0.0368868 0.0745015 -0.2802446 2.5765101 24 Sr 3.3702690 -0.1828895 -0.0801403 -0.1084868 2.6113554 0.0368868 0.0745015 0.2802446 2.5765101 25 Th 5.7594842 -0.4357188 0.0205943 -0.1174592 4.8430341 0.1299102 -0.0091017 -0.1435445 5.0814739 26 Th 5.7594842 0.4357188 0.0205943 0.1174592 4.8430341 -0.1299102 -0.0091017 0.1435445 5.0814739 27 Th 5.7594842 -0.4357188 0.0205943 -0.1174592 4.8430341 0.1299102 -0.0091017 -0.1435445 5.0814739 28 Th 5.7594842 0.4357188 0.0205943 0.1174592 4.8430341 -0.1299102 -0.0091017 0.1435445 5.0814739 29 Th 3.9163145 0.0826406 0.1043130 0.3816522 5.7472047 0.2338555 -0.0913443 0.2233322 5.8976242 30 Th 3.9163145 -0.0826406 0.1043130 -0.3816522 5.7472047 -0.2338555 -0.0913443 -0.2233322 5.8976242 31 Th 3.9163145 0.0826406 0.1043130 0.3816522 5.7472047 0.2338555 -0.0913443 0.2233322 5.8976242 32 Th 3.9163145 -0.0826406 0.1043130 -0.3816522 5.7472047 -0.2338555 -0.0913443 -0.2233322 5.8976242 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 11), data: (524, 27) @ (27, 11) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 11), data: (524, 27) @ (27, 11) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 960 - Time: 1.629 Solver_block: 200 / 960 - Time: 1.534 Solver_block: 300 / 960 - Time: 1.677 Solver_block: 400 / 960 - Time: 3.324 Solver_block: 500 / 960 - Time: 1.210 Solver_block: 600 / 960 - Time: 1.112 Solver_block: 700 / 960 - Time: 1.225 Solver_block: 800 / 960 - Time: 2.451 Solver_block: 900 / 960 - Time: 1.194 Solver_block: 960 / 960 - Time: 1.255 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.185 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 16), data: (560, 24) @ (24, 16) |-- (60, 52), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 11), data: (524, 27) @ (27, 11) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 11), data: (524, 27) @ (27, 11) |-- (274, 259), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:11:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:11:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.697238610031450 0.000000000000000 0.000000000000000 b 0.000000000000000 7.844613649999999 0.000000000000000 c -0.016929932115554 0.000000000000000 12.377626095575430 Atomic positions (fractional): 1 Se 0.54615741958338 0.16333558010661 0.09900325251017 78.960 2 Se 0.72545265532168 0.17165519326200 0.81349367558999 78.960 3 Se 0.72545265532168 0.32834480673800 0.31349367558999 78.960 4 Se 0.27454734467831 0.82834480673800 0.18650632441001 78.960 5 Se 0.27610558761633 0.46088689831085 0.00081444718997 78.960 6 Se 0.72389441238367 0.96088689831085 0.49918555281003 78.960 7 Se 0.72389441238367 0.53911310168915 0.99918555281003 78.960 8 Se 0.27610558761633 0.03911310168915 0.50081444718997 78.960 9 Se 0.73690896155972 0.80212234290936 0.21949409110222 78.960 10 Se 0.26309103844028 0.30212234290936 0.28050590889778 78.960 11 Se 0.26309103844028 0.19787765709065 0.78050590889778 78.960 12 Se 0.54615741958338 0.33666441989339 0.59900325251017 78.960 13 Se 0.95515816168417 0.17533554916385 0.08761430905022 78.960 14 Se 0.04484183831583 0.67533554916385 0.41238569094978 78.960 15 Se 0.04484183831583 0.82466445083615 0.91238569094978 78.960 16 Se 0.95515816168417 0.32466445083615 0.58761430905022 78.960 17 Se 0.73690896155972 0.69787765709064 0.71949409110222 78.960 18 Se 0.45384258041662 0.66333558010661 0.40099674748983 78.960 19 Se 0.45384258041662 0.83666441989339 0.90099674748983 78.960 20 Se 0.27454734467831 0.67165519326200 0.68650632441001 78.960 21 Sr 0.99433558490940 0.03842911869458 0.32640081713656 87.620 22 Sr 0.00566441509060 0.53842911869458 0.17359918286344 87.620 23 Sr 0.00566441509060 0.96157088130542 0.67359918286344 87.620 24 Sr 0.99433558490940 0.46157088130542 0.82640081713656 87.620 25 Th 0.24816987819989 0.42240773932628 0.51029002847577 232.038 26 Th 0.24816987819989 0.07759226067372 0.01029002847577 232.038 27 Th 0.75183012180011 0.57759226067372 0.48970997152423 232.038 28 Th 0.75183012180011 0.92240773932628 0.98970997152423 232.038 29 Th 0.49906849207082 0.47839767544075 0.82049273414169 232.038 30 Th 0.50093150792918 0.97839767544075 0.67950726585831 232.038 31 Th 0.50093150792918 0.52160232455925 0.17950726585831 232.038 32 Th 0.49906849207082 0.02160232455925 0.32049273414169 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.394477220062900 0.000000000000000 0.000000000000000 b 0.000000000000000 15.689227299999999 0.000000000000000 c -0.016929932115554 0.000000000000000 12.377626095575430 Atomic positions (fractional): 1 Se 0.27307870979169 0.08166779005330 0.09900325251017 78.960 > 1 2 Se 0.77307870979169 0.08166779005330 0.09900325251017 78.960 > 1 3 Se 0.27307870979169 0.58166779005330 0.09900325251017 78.960 > 1 4 Se 0.77307870979169 0.58166779005330 0.09900325251017 78.960 > 1 5 Se 0.36272632766084 0.08582759663100 0.81349367558999 78.960 > 5 6 Se 0.86272632766084 0.08582759663100 0.81349367558999 78.960 > 5 7 Se 0.36272632766084 0.58582759663100 0.81349367558999 78.960 > 5 8 Se 0.86272632766084 0.58582759663100 0.81349367558999 78.960 > 5 9 Se 0.36272632766084 0.16417240336900 0.31349367558999 78.960 > 9 10 Se 0.86272632766084 0.16417240336900 0.31349367558999 78.960 > 9 11 Se 0.36272632766084 0.66417240336900 0.31349367558999 78.960 > 9 12 Se 0.86272632766084 0.66417240336900 0.31349367558999 78.960 > 9 13 Se 0.13727367233916 0.41417240336900 0.18650632441001 78.960 > 13 14 Se 0.63727367233916 0.41417240336900 0.18650632441001 78.960 > 13 15 Se 0.13727367233916 0.91417240336900 0.18650632441001 78.960 > 13 16 Se 0.63727367233916 0.91417240336900 0.18650632441001 78.960 > 13 17 Se 0.13805279380817 0.23044344915543 0.00081444718997 78.960 > 17 18 Se 0.63805279380817 0.23044344915543 0.00081444718997 78.960 > 17 19 Se 0.13805279380817 0.73044344915543 0.00081444718997 78.960 > 17 20 Se 0.63805279380817 0.73044344915543 0.00081444718997 78.960 > 17 21 Se 0.36194720619183 0.48044344915543 0.49918555281003 78.960 > 21 22 Se 0.86194720619183 0.48044344915543 0.49918555281003 78.960 > 21 23 Se 0.36194720619183 0.98044344915543 0.49918555281003 78.960 > 21 24 Se 0.86194720619183 0.98044344915543 0.49918555281003 78.960 > 21 25 Se 0.36194720619183 0.26955655084457 0.99918555281003 78.960 > 25 26 Se 0.86194720619183 0.26955655084457 0.99918555281003 78.960 > 25 27 Se 0.36194720619183 0.76955655084457 0.99918555281003 78.960 > 25 28 Se 0.86194720619183 0.76955655084457 0.99918555281003 78.960 > 25 29 Se 0.13805279380817 0.01955655084457 0.50081444718997 78.960 > 29 30 Se 0.63805279380817 0.01955655084457 0.50081444718997 78.960 > 29 31 Se 0.13805279380817 0.51955655084457 0.50081444718997 78.960 > 29 32 Se 0.63805279380817 0.51955655084457 0.50081444718997 78.960 > 29 33 Se 0.36845448077986 0.40106117145468 0.21949409110222 78.960 > 33 34 Se 0.86845448077986 0.40106117145468 0.21949409110222 78.960 > 33 35 Se 0.36845448077986 0.90106117145468 0.21949409110222 78.960 > 33 36 Se 0.86845448077986 0.90106117145468 0.21949409110222 78.960 > 33 37 Se 0.13154551922014 0.15106117145468 0.28050590889778 78.960 > 37 38 Se 0.63154551922014 0.15106117145468 0.28050590889778 78.960 > 37 39 Se 0.13154551922014 0.65106117145468 0.28050590889778 78.960 > 37 40 Se 0.63154551922014 0.65106117145468 0.28050590889778 78.960 > 37 41 Se 0.13154551922014 0.09893882854532 0.78050590889778 78.960 > 41 42 Se 0.63154551922014 0.09893882854532 0.78050590889778 78.960 > 41 43 Se 0.13154551922014 0.59893882854532 0.78050590889778 78.960 > 41 44 Se 0.63154551922014 0.59893882854532 0.78050590889778 78.960 > 41 45 Se 0.27307870979169 0.16833220994670 0.59900325251017 78.960 > 45 46 Se 0.77307870979169 0.16833220994670 0.59900325251017 78.960 > 45 47 Se 0.27307870979169 0.66833220994670 0.59900325251017 78.960 > 45 48 Se 0.77307870979169 0.66833220994670 0.59900325251017 78.960 > 45 49 Se 0.47757908084208 0.08766777458192 0.08761430905022 78.960 > 49 50 Se 0.97757908084208 0.08766777458192 0.08761430905022 78.960 > 49 51 Se 0.47757908084208 0.58766777458192 0.08761430905022 78.960 > 49 52 Se 0.97757908084208 0.58766777458192 0.08761430905022 78.960 > 49 53 Se 0.02242091915792 0.33766777458192 0.41238569094978 78.960 > 53 54 Se 0.52242091915792 0.33766777458192 0.41238569094978 78.960 > 53 55 Se 0.02242091915792 0.83766777458192 0.41238569094978 78.960 > 53 56 Se 0.52242091915792 0.83766777458192 0.41238569094978 78.960 > 53 57 Se 0.02242091915792 0.41233222541808 0.91238569094978 78.960 > 57 58 Se 0.52242091915792 0.41233222541808 0.91238569094978 78.960 > 57 59 Se 0.02242091915792 0.91233222541808 0.91238569094978 78.960 > 57 60 Se 0.52242091915792 0.91233222541808 0.91238569094978 78.960 > 57 61 Se 0.47757908084208 0.16233222541808 0.58761430905022 78.960 > 61 62 Se 0.97757908084208 0.16233222541808 0.58761430905022 78.960 > 61 63 Se 0.47757908084208 0.66233222541808 0.58761430905022 78.960 > 61 64 Se 0.97757908084208 0.66233222541808 0.58761430905022 78.960 > 61 65 Se 0.36845448077986 0.34893882854532 0.71949409110222 78.960 > 65 66 Se 0.86845448077986 0.34893882854532 0.71949409110222 78.960 > 65 67 Se 0.36845448077986 0.84893882854532 0.71949409110222 78.960 > 65 68 Se 0.86845448077986 0.84893882854532 0.71949409110222 78.960 > 65 69 Se 0.22692129020831 0.33166779005330 0.40099674748983 78.960 > 69 70 Se 0.72692129020831 0.33166779005330 0.40099674748983 78.960 > 69 71 Se 0.22692129020831 0.83166779005330 0.40099674748983 78.960 > 69 72 Se 0.72692129020831 0.83166779005330 0.40099674748983 78.960 > 69 73 Se 0.22692129020831 0.41833220994670 0.90099674748983 78.960 > 73 74 Se 0.72692129020831 0.41833220994670 0.90099674748983 78.960 > 73 75 Se 0.22692129020831 0.91833220994670 0.90099674748983 78.960 > 73 76 Se 0.72692129020831 0.91833220994670 0.90099674748983 78.960 > 73 77 Se 0.13727367233916 0.33582759663100 0.68650632441001 78.960 > 77 78 Se 0.63727367233916 0.33582759663100 0.68650632441001 78.960 > 77 79 Se 0.13727367233916 0.83582759663100 0.68650632441001 78.960 > 77 80 Se 0.63727367233916 0.83582759663100 0.68650632441001 78.960 > 77 81 Sr 0.49716779245470 0.01921455934729 0.32640081713656 87.620 > 81 82 Sr 0.99716779245470 0.01921455934729 0.32640081713656 87.620 > 81 83 Sr 0.49716779245470 0.51921455934729 0.32640081713656 87.620 > 81 84 Sr 0.99716779245470 0.51921455934729 0.32640081713656 87.620 > 81 85 Sr 0.00283220754530 0.26921455934729 0.17359918286344 87.620 > 85 86 Sr 0.50283220754530 0.26921455934729 0.17359918286344 87.620 > 85 87 Sr 0.00283220754530 0.76921455934729 0.17359918286344 87.620 > 85 88 Sr 0.50283220754530 0.76921455934729 0.17359918286344 87.620 > 85 89 Sr 0.00283220754530 0.48078544065271 0.67359918286344 87.620 > 89 90 Sr 0.50283220754530 0.48078544065271 0.67359918286344 87.620 > 89 91 Sr 0.00283220754530 0.98078544065271 0.67359918286344 87.620 > 89 92 Sr 0.50283220754530 0.98078544065271 0.67359918286344 87.620 > 89 93 Sr 0.49716779245470 0.23078544065271 0.82640081713656 87.620 > 93 94 Sr 0.99716779245470 0.23078544065271 0.82640081713656 87.620 > 93 95 Sr 0.49716779245470 0.73078544065271 0.82640081713656 87.620 > 93 96 Sr 0.99716779245470 0.73078544065271 0.82640081713656 87.620 > 93 97 Th 0.12408493909995 0.21120386966314 0.51029002847577 232.038 > 97 98 Th 0.62408493909995 0.21120386966314 0.51029002847577 232.038 > 97 99 Th 0.12408493909995 0.71120386966314 0.51029002847577 232.038 > 97 100 Th 0.62408493909995 0.71120386966314 0.51029002847577 232.038 > 97 101 Th 0.12408493909995 0.03879613033686 0.01029002847577 232.038 > 101 102 Th 0.62408493909995 0.03879613033686 0.01029002847577 232.038 > 101 103 Th 0.12408493909995 0.53879613033686 0.01029002847577 232.038 > 101 104 Th 0.62408493909995 0.53879613033686 0.01029002847577 232.038 > 101 105 Th 0.37591506090005 0.28879613033686 0.48970997152423 232.038 > 105 106 Th 0.87591506090005 0.28879613033686 0.48970997152423 232.038 > 105 107 Th 0.37591506090005 0.78879613033686 0.48970997152423 232.038 > 105 108 Th 0.87591506090005 0.78879613033686 0.48970997152423 232.038 > 105 109 Th 0.37591506090005 0.46120386966314 0.98970997152423 232.038 > 109 110 Th 0.87591506090005 0.46120386966314 0.98970997152423 232.038 > 109 111 Th 0.37591506090005 0.96120386966314 0.98970997152423 232.038 > 109 112 Th 0.87591506090005 0.96120386966314 0.98970997152423 232.038 > 109 113 Th 0.24953424603541 0.23919883772037 0.82049273414169 232.038 > 113 114 Th 0.74953424603541 0.23919883772037 0.82049273414169 232.038 > 113 115 Th 0.24953424603541 0.73919883772037 0.82049273414169 232.038 > 113 116 Th 0.74953424603541 0.73919883772037 0.82049273414169 232.038 > 113 117 Th 0.25046575396459 0.48919883772037 0.67950726585831 232.038 > 117 118 Th 0.75046575396459 0.48919883772037 0.67950726585831 232.038 > 117 119 Th 0.25046575396459 0.98919883772037 0.67950726585831 232.038 > 117 120 Th 0.75046575396459 0.98919883772037 0.67950726585831 232.038 > 117 121 Th 0.25046575396459 0.26080116227963 0.17950726585831 232.038 > 121 122 Th 0.75046575396459 0.26080116227963 0.17950726585831 232.038 > 121 123 Th 0.25046575396459 0.76080116227963 0.17950726585831 232.038 > 121 124 Th 0.75046575396459 0.76080116227963 0.17950726585831 232.038 > 121 125 Th 0.24953424603541 0.01080116227963 0.32049273414169 232.038 > 125 126 Th 0.74953424603541 0.01080116227963 0.32049273414169 232.038 > 125 127 Th 0.24953424603541 0.51080116227963 0.32049273414169 232.038 > 125 128 Th 0.74953424603541 0.51080116227963 0.32049273414169 232.038 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.9436740 0.0000000 0.0604588 0.0000000 9.4280196 0.0000000 0.0604632 0.0000000 9.5390316 -------------------------- Born effective charges -------------------------- 1 Se -2.2003025 0.4170405 0.1026140 0.4654181 -2.7987848 -0.4701169 0.2279095 -0.5246264 -2.8539740 2 Se -2.4301992 0.1722994 -0.5321807 0.3298667 -3.2277286 0.2326394 -0.5709528 0.1357568 -2.4463169 3 Se -2.4301992 -0.1722994 -0.5321807 -0.3298667 -3.2277286 -0.2326394 -0.5709528 -0.1357568 -2.4463169 4 Se -2.4301992 0.1722994 -0.5321807 0.3298667 -3.2277286 0.2326394 -0.5709528 0.1357568 -2.4463169 5 Se -2.4151643 -0.4143444 0.0287552 -0.3983003 -2.2360359 -0.0829216 0.0683424 -0.1250187 -3.3027769 6 Se -2.4151643 0.4143444 0.0287552 0.3983003 -2.2360359 0.0829216 0.0683424 0.1250187 -3.3027769 7 Se -2.4151643 -0.4143444 0.0287552 -0.3983003 -2.2360359 -0.0829216 0.0683424 -0.1250187 -3.3027769 8 Se -2.4151643 0.4143444 0.0287552 0.3983003 -2.2360359 0.0829216 0.0683424 0.1250187 -3.3027769 9 Se -2.5165025 -0.0694953 0.3817968 -0.1389888 -2.7019743 0.1076482 0.3678340 -0.2333375 -2.8688572 10 Se -2.5165025 0.0694953 0.3817968 0.1389888 -2.7019743 -0.1076482 0.3678340 0.2333375 -2.8688572 11 Se -2.5165025 -0.0694953 0.3817968 -0.1389888 -2.7019743 0.1076482 0.3678340 -0.2333375 -2.8688572 12 Se -2.2003025 -0.4170405 0.1026140 -0.4654181 -2.7987848 0.4701169 0.2279095 0.5246264 -2.8539740 13 Se -3.4838991 -0.5928720 -0.0257523 -0.4477749 -2.2370706 -0.3670572 -0.0671887 -0.4234065 -2.0836832 14 Se -3.4838991 0.5928720 -0.0257523 0.4477749 -2.2370706 0.3670572 -0.0671887 0.4234065 -2.0836832 15 Se -3.4838991 -0.5928720 -0.0257523 -0.4477749 -2.2370706 -0.3670572 -0.0671887 -0.4234065 -2.0836832 16 Se -3.4838991 0.5928720 -0.0257523 0.4477749 -2.2370706 0.3670572 -0.0671887 0.4234065 -2.0836832 17 Se -2.5165025 0.0694953 0.3817968 0.1389888 -2.7019743 -0.1076482 0.3678340 0.2333375 -2.8688572 18 Se -2.2003025 -0.4170405 0.1026140 -0.4654181 -2.7987848 0.4701169 0.2279095 0.5246264 -2.8539740 19 Se -2.2003025 0.4170405 0.1026140 0.4654181 -2.7987848 -0.4701169 0.2279095 -0.5246264 -2.8539740 20 Se -2.4301992 -0.1722994 -0.5321807 -0.3298667 -3.2277286 -0.2326394 -0.5709528 -0.1357568 -2.4463169 21 Sr 3.3702690 0.1828895 -0.0801403 0.1084868 2.6113554 -0.0368868 0.0745015 -0.2802446 2.5765101 22 Sr 3.3702690 -0.1828895 -0.0801403 -0.1084868 2.6113554 0.0368868 0.0745015 0.2802446 2.5765101 23 Sr 3.3702690 0.1828895 -0.0801403 0.1084868 2.6113554 -0.0368868 0.0745015 -0.2802446 2.5765101 24 Sr 3.3702690 -0.1828895 -0.0801403 -0.1084868 2.6113554 0.0368868 0.0745015 0.2802446 2.5765101 25 Th 5.7594842 -0.4357188 0.0205943 -0.1174592 4.8430341 0.1299102 -0.0091017 -0.1435445 5.0814739 26 Th 5.7594842 0.4357188 0.0205943 0.1174592 4.8430341 -0.1299102 -0.0091017 0.1435445 5.0814739 27 Th 5.7594842 -0.4357188 0.0205943 -0.1174592 4.8430341 0.1299102 -0.0091017 -0.1435445 5.0814739 28 Th 5.7594842 0.4357188 0.0205943 0.1174592 4.8430341 -0.1299102 -0.0091017 0.1435445 5.0814739 29 Th 3.9163145 0.0826406 0.1043130 0.3816522 5.7472047 0.2338555 -0.0913443 0.2233322 5.8976242 30 Th 3.9163145 -0.0826406 0.1043130 -0.3816522 5.7472047 -0.2338555 -0.0913443 -0.2233322 5.8976242 31 Th 3.9163145 0.0826406 0.1043130 0.3816522 5.7472047 0.2338555 -0.0913443 0.2233322 5.8976242 32 Th 3.9163145 -0.0826406 0.1043130 -0.3816522 5.7472047 -0.2338555 -0.0913443 -0.2233322 5.8976242 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:12:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:12:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.697238610031450 0.000000000000000 0.000000000000000 b 0.000000000000000 7.844613649999999 0.000000000000000 c -0.016929932115554 0.000000000000000 12.377626095575430 Atomic positions (fractional): 1 Se 0.54615741958338 0.16333558010661 0.09900325251017 78.960 2 Se 0.72545265532168 0.17165519326200 0.81349367558999 78.960 3 Se 0.72545265532168 0.32834480673800 0.31349367558999 78.960 4 Se 0.27454734467831 0.82834480673800 0.18650632441001 78.960 5 Se 0.27610558761633 0.46088689831085 0.00081444718997 78.960 6 Se 0.72389441238367 0.96088689831085 0.49918555281003 78.960 7 Se 0.72389441238367 0.53911310168915 0.99918555281003 78.960 8 Se 0.27610558761633 0.03911310168915 0.50081444718997 78.960 9 Se 0.73690896155972 0.80212234290936 0.21949409110222 78.960 10 Se 0.26309103844028 0.30212234290936 0.28050590889778 78.960 11 Se 0.26309103844028 0.19787765709065 0.78050590889778 78.960 12 Se 0.54615741958338 0.33666441989339 0.59900325251017 78.960 13 Se 0.95515816168417 0.17533554916385 0.08761430905022 78.960 14 Se 0.04484183831583 0.67533554916385 0.41238569094978 78.960 15 Se 0.04484183831583 0.82466445083615 0.91238569094978 78.960 16 Se 0.95515816168417 0.32466445083615 0.58761430905022 78.960 17 Se 0.73690896155972 0.69787765709064 0.71949409110222 78.960 18 Se 0.45384258041662 0.66333558010661 0.40099674748983 78.960 19 Se 0.45384258041662 0.83666441989339 0.90099674748983 78.960 20 Se 0.27454734467831 0.67165519326200 0.68650632441001 78.960 21 Sr 0.99433558490940 0.03842911869458 0.32640081713656 87.620 22 Sr 0.00566441509060 0.53842911869458 0.17359918286344 87.620 23 Sr 0.00566441509060 0.96157088130542 0.67359918286344 87.620 24 Sr 0.99433558490940 0.46157088130542 0.82640081713656 87.620 25 Th 0.24816987819989 0.42240773932628 0.51029002847577 232.038 26 Th 0.24816987819989 0.07759226067372 0.01029002847577 232.038 27 Th 0.75183012180011 0.57759226067372 0.48970997152423 232.038 28 Th 0.75183012180011 0.92240773932628 0.98970997152423 232.038 29 Th 0.49906849207082 0.47839767544075 0.82049273414169 232.038 30 Th 0.50093150792918 0.97839767544075 0.67950726585831 232.038 31 Th 0.50093150792918 0.52160232455925 0.17950726585831 232.038 32 Th 0.49906849207082 0.02160232455925 0.32049273414169 232.038 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.394477220062900 0.000000000000000 0.000000000000000 b 0.000000000000000 15.689227299999999 0.000000000000000 c -0.016929932115554 0.000000000000000 12.377626095575430 Atomic positions (fractional): 1 Se 0.27307870979169 0.08166779005330 0.09900325251017 78.960 > 1 2 Se 0.77307870979169 0.08166779005330 0.09900325251017 78.960 > 1 3 Se 0.27307870979169 0.58166779005330 0.09900325251017 78.960 > 1 4 Se 0.77307870979169 0.58166779005330 0.09900325251017 78.960 > 1 5 Se 0.36272632766084 0.08582759663100 0.81349367558999 78.960 > 5 6 Se 0.86272632766084 0.08582759663100 0.81349367558999 78.960 > 5 7 Se 0.36272632766084 0.58582759663100 0.81349367558999 78.960 > 5 8 Se 0.86272632766084 0.58582759663100 0.81349367558999 78.960 > 5 9 Se 0.36272632766084 0.16417240336900 0.31349367558999 78.960 > 9 10 Se 0.86272632766084 0.16417240336900 0.31349367558999 78.960 > 9 11 Se 0.36272632766084 0.66417240336900 0.31349367558999 78.960 > 9 12 Se 0.86272632766084 0.66417240336900 0.31349367558999 78.960 > 9 13 Se 0.13727367233916 0.41417240336900 0.18650632441001 78.960 > 13 14 Se 0.63727367233916 0.41417240336900 0.18650632441001 78.960 > 13 15 Se 0.13727367233916 0.91417240336900 0.18650632441001 78.960 > 13 16 Se 0.63727367233916 0.91417240336900 0.18650632441001 78.960 > 13 17 Se 0.13805279380817 0.23044344915543 0.00081444718997 78.960 > 17 18 Se 0.63805279380817 0.23044344915543 0.00081444718997 78.960 > 17 19 Se 0.13805279380817 0.73044344915543 0.00081444718997 78.960 > 17 20 Se 0.63805279380817 0.73044344915543 0.00081444718997 78.960 > 17 21 Se 0.36194720619183 0.48044344915543 0.49918555281003 78.960 > 21 22 Se 0.86194720619183 0.48044344915543 0.49918555281003 78.960 > 21 23 Se 0.36194720619183 0.98044344915543 0.49918555281003 78.960 > 21 24 Se 0.86194720619183 0.98044344915543 0.49918555281003 78.960 > 21 25 Se 0.36194720619183 0.26955655084457 0.99918555281003 78.960 > 25 26 Se 0.86194720619183 0.26955655084457 0.99918555281003 78.960 > 25 27 Se 0.36194720619183 0.76955655084457 0.99918555281003 78.960 > 25 28 Se 0.86194720619183 0.76955655084457 0.99918555281003 78.960 > 25 29 Se 0.13805279380817 0.01955655084457 0.50081444718997 78.960 > 29 30 Se 0.63805279380817 0.01955655084457 0.50081444718997 78.960 > 29 31 Se 0.13805279380817 0.51955655084457 0.50081444718997 78.960 > 29 32 Se 0.63805279380817 0.51955655084457 0.50081444718997 78.960 > 29 33 Se 0.36845448077986 0.40106117145468 0.21949409110222 78.960 > 33 34 Se 0.86845448077986 0.40106117145468 0.21949409110222 78.960 > 33 35 Se 0.36845448077986 0.90106117145468 0.21949409110222 78.960 > 33 36 Se 0.86845448077986 0.90106117145468 0.21949409110222 78.960 > 33 37 Se 0.13154551922014 0.15106117145468 0.28050590889778 78.960 > 37 38 Se 0.63154551922014 0.15106117145468 0.28050590889778 78.960 > 37 39 Se 0.13154551922014 0.65106117145468 0.28050590889778 78.960 > 37 40 Se 0.63154551922014 0.65106117145468 0.28050590889778 78.960 > 37 41 Se 0.13154551922014 0.09893882854532 0.78050590889778 78.960 > 41 42 Se 0.63154551922014 0.09893882854532 0.78050590889778 78.960 > 41 43 Se 0.13154551922014 0.59893882854532 0.78050590889778 78.960 > 41 44 Se 0.63154551922014 0.59893882854532 0.78050590889778 78.960 > 41 45 Se 0.27307870979169 0.16833220994670 0.59900325251017 78.960 > 45 46 Se 0.77307870979169 0.16833220994670 0.59900325251017 78.960 > 45 47 Se 0.27307870979169 0.66833220994670 0.59900325251017 78.960 > 45 48 Se 0.77307870979169 0.66833220994670 0.59900325251017 78.960 > 45 49 Se 0.47757908084208 0.08766777458192 0.08761430905022 78.960 > 49 50 Se 0.97757908084208 0.08766777458192 0.08761430905022 78.960 > 49 51 Se 0.47757908084208 0.58766777458192 0.08761430905022 78.960 > 49 52 Se 0.97757908084208 0.58766777458192 0.08761430905022 78.960 > 49 53 Se 0.02242091915792 0.33766777458192 0.41238569094978 78.960 > 53 54 Se 0.52242091915792 0.33766777458192 0.41238569094978 78.960 > 53 55 Se 0.02242091915792 0.83766777458192 0.41238569094978 78.960 > 53 56 Se 0.52242091915792 0.83766777458192 0.41238569094978 78.960 > 53 57 Se 0.02242091915792 0.41233222541808 0.91238569094978 78.960 > 57 58 Se 0.52242091915792 0.41233222541808 0.91238569094978 78.960 > 57 59 Se 0.02242091915792 0.91233222541808 0.91238569094978 78.960 > 57 60 Se 0.52242091915792 0.91233222541808 0.91238569094978 78.960 > 57 61 Se 0.47757908084208 0.16233222541808 0.58761430905022 78.960 > 61 62 Se 0.97757908084208 0.16233222541808 0.58761430905022 78.960 > 61 63 Se 0.47757908084208 0.66233222541808 0.58761430905022 78.960 > 61 64 Se 0.97757908084208 0.66233222541808 0.58761430905022 78.960 > 61 65 Se 0.36845448077986 0.34893882854532 0.71949409110222 78.960 > 65 66 Se 0.86845448077986 0.34893882854532 0.71949409110222 78.960 > 65 67 Se 0.36845448077986 0.84893882854532 0.71949409110222 78.960 > 65 68 Se 0.86845448077986 0.84893882854532 0.71949409110222 78.960 > 65 69 Se 0.22692129020831 0.33166779005330 0.40099674748983 78.960 > 69 70 Se 0.72692129020831 0.33166779005330 0.40099674748983 78.960 > 69 71 Se 0.22692129020831 0.83166779005330 0.40099674748983 78.960 > 69 72 Se 0.72692129020831 0.83166779005330 0.40099674748983 78.960 > 69 73 Se 0.22692129020831 0.41833220994670 0.90099674748983 78.960 > 73 74 Se 0.72692129020831 0.41833220994670 0.90099674748983 78.960 > 73 75 Se 0.22692129020831 0.91833220994670 0.90099674748983 78.960 > 73 76 Se 0.72692129020831 0.91833220994670 0.90099674748983 78.960 > 73 77 Se 0.13727367233916 0.33582759663100 0.68650632441001 78.960 > 77 78 Se 0.63727367233916 0.33582759663100 0.68650632441001 78.960 > 77 79 Se 0.13727367233916 0.83582759663100 0.68650632441001 78.960 > 77 80 Se 0.63727367233916 0.83582759663100 0.68650632441001 78.960 > 77 81 Sr 0.49716779245470 0.01921455934729 0.32640081713656 87.620 > 81 82 Sr 0.99716779245470 0.01921455934729 0.32640081713656 87.620 > 81 83 Sr 0.49716779245470 0.51921455934729 0.32640081713656 87.620 > 81 84 Sr 0.99716779245470 0.51921455934729 0.32640081713656 87.620 > 81 85 Sr 0.00283220754530 0.26921455934729 0.17359918286344 87.620 > 85 86 Sr 0.50283220754530 0.26921455934729 0.17359918286344 87.620 > 85 87 Sr 0.00283220754530 0.76921455934729 0.17359918286344 87.620 > 85 88 Sr 0.50283220754530 0.76921455934729 0.17359918286344 87.620 > 85 89 Sr 0.00283220754530 0.48078544065271 0.67359918286344 87.620 > 89 90 Sr 0.50283220754530 0.48078544065271 0.67359918286344 87.620 > 89 91 Sr 0.00283220754530 0.98078544065271 0.67359918286344 87.620 > 89 92 Sr 0.50283220754530 0.98078544065271 0.67359918286344 87.620 > 89 93 Sr 0.49716779245470 0.23078544065271 0.82640081713656 87.620 > 93 94 Sr 0.99716779245470 0.23078544065271 0.82640081713656 87.620 > 93 95 Sr 0.49716779245470 0.73078544065271 0.82640081713656 87.620 > 93 96 Sr 0.99716779245470 0.73078544065271 0.82640081713656 87.620 > 93 97 Th 0.12408493909995 0.21120386966314 0.51029002847577 232.038 > 97 98 Th 0.62408493909995 0.21120386966314 0.51029002847577 232.038 > 97 99 Th 0.12408493909995 0.71120386966314 0.51029002847577 232.038 > 97 100 Th 0.62408493909995 0.71120386966314 0.51029002847577 232.038 > 97 101 Th 0.12408493909995 0.03879613033686 0.01029002847577 232.038 > 101 102 Th 0.62408493909995 0.03879613033686 0.01029002847577 232.038 > 101 103 Th 0.12408493909995 0.53879613033686 0.01029002847577 232.038 > 101 104 Th 0.62408493909995 0.53879613033686 0.01029002847577 232.038 > 101 105 Th 0.37591506090005 0.28879613033686 0.48970997152423 232.038 > 105 106 Th 0.87591506090005 0.28879613033686 0.48970997152423 232.038 > 105 107 Th 0.37591506090005 0.78879613033686 0.48970997152423 232.038 > 105 108 Th 0.87591506090005 0.78879613033686 0.48970997152423 232.038 > 105 109 Th 0.37591506090005 0.46120386966314 0.98970997152423 232.038 > 109 110 Th 0.87591506090005 0.46120386966314 0.98970997152423 232.038 > 109 111 Th 0.37591506090005 0.96120386966314 0.98970997152423 232.038 > 109 112 Th 0.87591506090005 0.96120386966314 0.98970997152423 232.038 > 109 113 Th 0.24953424603541 0.23919883772037 0.82049273414169 232.038 > 113 114 Th 0.74953424603541 0.23919883772037 0.82049273414169 232.038 > 113 115 Th 0.24953424603541 0.73919883772037 0.82049273414169 232.038 > 113 116 Th 0.74953424603541 0.73919883772037 0.82049273414169 232.038 > 113 117 Th 0.25046575396459 0.48919883772037 0.67950726585831 232.038 > 117 118 Th 0.75046575396459 0.48919883772037 0.67950726585831 232.038 > 117 119 Th 0.25046575396459 0.98919883772037 0.67950726585831 232.038 > 117 120 Th 0.75046575396459 0.98919883772037 0.67950726585831 232.038 > 117 121 Th 0.25046575396459 0.26080116227963 0.17950726585831 232.038 > 121 122 Th 0.75046575396459 0.26080116227963 0.17950726585831 232.038 > 121 123 Th 0.25046575396459 0.76080116227963 0.17950726585831 232.038 > 121 124 Th 0.75046575396459 0.76080116227963 0.17950726585831 232.038 > 121 125 Th 0.24953424603541 0.01080116227963 0.32049273414169 232.038 > 125 126 Th 0.74953424603541 0.01080116227963 0.32049273414169 232.038 > 125 127 Th 0.24953424603541 0.51080116227963 0.32049273414169 232.038 > 125 128 Th 0.74953424603541 0.51080116227963 0.32049273414169 232.038 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.9436740 0.0000000 0.0604588 0.0000000 9.4280196 0.0000000 0.0604632 0.0000000 9.5390316 -------------------------- Born effective charges -------------------------- 1 Se -2.2003025 0.4170405 0.1026140 0.4654181 -2.7987848 -0.4701169 0.2279095 -0.5246264 -2.8539740 2 Se -2.4301992 0.1722994 -0.5321807 0.3298667 -3.2277286 0.2326394 -0.5709528 0.1357568 -2.4463169 3 Se -2.4301992 -0.1722994 -0.5321807 -0.3298667 -3.2277286 -0.2326394 -0.5709528 -0.1357568 -2.4463169 4 Se -2.4301992 0.1722994 -0.5321807 0.3298667 -3.2277286 0.2326394 -0.5709528 0.1357568 -2.4463169 5 Se -2.4151643 -0.4143444 0.0287552 -0.3983003 -2.2360359 -0.0829216 0.0683424 -0.1250187 -3.3027769 6 Se -2.4151643 0.4143444 0.0287552 0.3983003 -2.2360359 0.0829216 0.0683424 0.1250187 -3.3027769 7 Se -2.4151643 -0.4143444 0.0287552 -0.3983003 -2.2360359 -0.0829216 0.0683424 -0.1250187 -3.3027769 8 Se -2.4151643 0.4143444 0.0287552 0.3983003 -2.2360359 0.0829216 0.0683424 0.1250187 -3.3027769 9 Se -2.5165025 -0.0694953 0.3817968 -0.1389888 -2.7019743 0.1076482 0.3678340 -0.2333375 -2.8688572 10 Se -2.5165025 0.0694953 0.3817968 0.1389888 -2.7019743 -0.1076482 0.3678340 0.2333375 -2.8688572 11 Se -2.5165025 -0.0694953 0.3817968 -0.1389888 -2.7019743 0.1076482 0.3678340 -0.2333375 -2.8688572 12 Se -2.2003025 -0.4170405 0.1026140 -0.4654181 -2.7987848 0.4701169 0.2279095 0.5246264 -2.8539740 13 Se -3.4838991 -0.5928720 -0.0257523 -0.4477749 -2.2370706 -0.3670572 -0.0671887 -0.4234065 -2.0836832 14 Se -3.4838991 0.5928720 -0.0257523 0.4477749 -2.2370706 0.3670572 -0.0671887 0.4234065 -2.0836832 15 Se -3.4838991 -0.5928720 -0.0257523 -0.4477749 -2.2370706 -0.3670572 -0.0671887 -0.4234065 -2.0836832 16 Se -3.4838991 0.5928720 -0.0257523 0.4477749 -2.2370706 0.3670572 -0.0671887 0.4234065 -2.0836832 17 Se -2.5165025 0.0694953 0.3817968 0.1389888 -2.7019743 -0.1076482 0.3678340 0.2333375 -2.8688572 18 Se -2.2003025 -0.4170405 0.1026140 -0.4654181 -2.7987848 0.4701169 0.2279095 0.5246264 -2.8539740 19 Se -2.2003025 0.4170405 0.1026140 0.4654181 -2.7987848 -0.4701169 0.2279095 -0.5246264 -2.8539740 20 Se -2.4301992 -0.1722994 -0.5321807 -0.3298667 -3.2277286 -0.2326394 -0.5709528 -0.1357568 -2.4463169 21 Sr 3.3702690 0.1828895 -0.0801403 0.1084868 2.6113554 -0.0368868 0.0745015 -0.2802446 2.5765101 22 Sr 3.3702690 -0.1828895 -0.0801403 -0.1084868 2.6113554 0.0368868 0.0745015 0.2802446 2.5765101 23 Sr 3.3702690 0.1828895 -0.0801403 0.1084868 2.6113554 -0.0368868 0.0745015 -0.2802446 2.5765101 24 Sr 3.3702690 -0.1828895 -0.0801403 -0.1084868 2.6113554 0.0368868 0.0745015 0.2802446 2.5765101 25 Th 5.7594842 -0.4357188 0.0205943 -0.1174592 4.8430341 0.1299102 -0.0091017 -0.1435445 5.0814739 26 Th 5.7594842 0.4357188 0.0205943 0.1174592 4.8430341 -0.1299102 -0.0091017 0.1435445 5.0814739 27 Th 5.7594842 -0.4357188 0.0205943 -0.1174592 4.8430341 0.1299102 -0.0091017 -0.1435445 5.0814739 28 Th 5.7594842 0.4357188 0.0205943 0.1174592 4.8430341 -0.1299102 -0.0091017 0.1435445 5.0814739 29 Th 3.9163145 0.0826406 0.1043130 0.3816522 5.7472047 0.2338555 -0.0913443 0.2233322 5.8976242 30 Th 3.9163145 -0.0826406 0.1043130 -0.3816522 5.7472047 -0.2338555 -0.0913443 -0.2233322 5.8976242 31 Th 3.9163145 0.0826406 0.1043130 0.3816522 5.7472047 0.2338555 -0.0913443 0.2233322 5.8976242 32 Th 3.9163145 -0.0826406 0.1043130 -0.3816522 5.7472047 -0.2338555 -0.0913443 -0.2233322 5.8976242 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 311, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.317 ( 0.000 0.000 0.000) 0.000 1.346 ( 0.000 0.000 0.000) 0.000 1.356 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.471 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.683 ( 0.000 0.000 0.000) 0.000 1.807 ( 0.000 0.000 0.000) 0.000 1.870 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.969 ( 0.000 0.000 0.000) 0.000 2.096 ( 0.000 0.000 0.000) 0.000 2.126 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.180 ( 0.000 0.000 0.000) 0.000 2.196 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.325 ( 0.000 0.000 0.000) 0.000 2.391 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.801 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.109 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.434 ( 0.000 0.000 0.000) 0.000 3.458 ( 0.000 0.000 0.000) 0.000 3.506 ( 0.000 0.000 0.000) 0.000 3.564 ( 0.000 0.000 0.000) 0.000 3.575 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.774 ( 0.000 0.000 0.000) 0.000 3.805 ( 0.000 0.000 0.000) 0.000 3.807 ( 0.000 0.000 0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 3.938 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.103 ( 0.000 0.000 0.000) 0.000 4.111 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.392 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.594 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.653 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.760 ( 0.000 0.000 0.000) 0.000 4.894 ( 0.000 0.000 0.000) 0.000 4.909 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.119 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.317 ( 0.000 0.000 0.000) 0.000 5.335 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.038 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 19.608 0.000 -1.166) 19.643 0.418 ( 21.312 0.000 -0.018) 21.312 0.723 ( 36.172 0.000 0.142) 36.172 1.196 ( -6.809 0.000 2.879) 7.392 1.362 ( 1.730 0.000 -1.225) 2.120 1.376 ( -2.337 0.000 -0.864) 2.491 1.441 ( 1.649 0.000 -5.269) 5.521 1.559 ( 6.466 0.000 -2.194) 6.828 1.578 ( -1.581 0.000 2.042) 2.583 1.689 ( 1.120 0.000 -1.366) 1.766 1.716 ( 5.665 0.000 1.607) 5.889 1.812 ( -11.699 0.000 0.476) 11.708 1.834 ( -1.254 0.000 1.255) 1.774 1.881 ( 1.856 0.000 0.558) 1.938 1.972 ( 6.130 0.000 3.252) 6.939 2.047 ( -4.580 0.000 2.527) 5.231 2.062 ( -3.891 0.000 3.239) 5.062 2.164 ( 0.894 0.000 -1.237) 1.526 2.165 ( 1.555 0.000 1.275) 2.011 2.233 ( 0.146 0.000 -1.964) 1.970 2.319 ( 9.070 0.000 -2.885) 9.517 2.348 ( -4.027 0.000 -5.938) 7.175 2.383 ( 2.995 0.000 -3.013) 4.248 2.491 ( 0.184 0.000 1.772) 1.781 2.549 ( 0.630 0.000 -5.943) 5.977 2.580 ( 1.689 0.000 3.318) 3.723 2.621 ( 2.025 0.000 0.197) 2.035 2.646 ( -0.845 0.000 2.348) 2.495 2.715 ( 1.620 0.000 1.360) 2.115 2.727 ( -2.276 0.000 1.767) 2.881 2.743 ( 3.998 0.000 1.758) 4.368 2.808 ( -1.035 0.000 -1.286) 1.651 2.863 ( 0.061 0.000 -3.476) 3.477 2.943 ( -0.010 0.000 -0.886) 0.886 2.957 ( 0.458 0.000 -1.360) 1.435 2.992 ( 2.560 0.000 -5.623) 6.178 3.058 ( -2.601 0.000 0.674) 2.687 3.156 ( 1.242 0.000 0.242) 1.265 3.169 ( 1.003 0.000 0.658) 1.200 3.355 ( -3.021 0.000 -1.048) 3.198 3.407 ( -5.718 0.000 3.792) 6.861 3.464 ( 0.699 0.000 0.617) 0.932 3.467 ( -3.456 0.000 -2.470) 4.248 3.573 ( 0.141 0.000 0.494) 0.514 3.579 ( -0.085 0.000 0.485) 0.493 3.633 ( 0.563 0.000 0.337) 0.656 3.656 ( -2.426 0.000 -0.002) 2.426 3.749 ( -4.283 0.000 7.772) 8.874 3.774 ( 0.013 0.000 0.380) 0.380 3.792 ( -1.289 0.000 -0.116) 1.294 3.823 ( 0.916 0.000 0.681) 1.141 3.825 ( -0.864 0.000 0.677) 1.097 3.891 ( -0.836 0.000 -0.533) 0.992 3.914 ( -1.086 0.000 -1.808) 2.109 3.946 ( 0.815 0.000 1.555) 1.756 3.966 ( 0.266 0.000 0.698) 0.747 4.007 ( -0.286 0.000 -1.128) 1.164 4.082 ( -2.175 0.000 3.319) 3.969 4.117 ( -1.034 0.000 -9.269) 9.327 4.148 ( 3.369 0.000 0.163) 3.373 4.200 ( -1.769 0.000 2.567) 3.118 4.236 ( 0.498 0.000 -0.870) 1.003 4.315 ( -3.804 0.000 -0.440) 3.829 4.359 ( 1.336 0.000 0.272) 1.363 4.377 ( -1.842 0.000 3.046) 3.560 4.418 ( 0.734 0.000 1.168) 1.380 4.514 ( 0.212 0.000 -0.387) 0.441 4.543 ( -1.135 0.000 -3.428) 3.611 4.578 ( 0.919 0.000 -0.531) 1.061 4.592 ( -0.914 0.000 1.704) 1.934 4.627 ( -1.108 0.000 2.988) 3.187 4.655 ( 3.255 0.000 0.224) 3.263 4.655 ( -0.273 0.000 -1.633) 1.656 4.759 ( 0.418 0.000 0.023) 0.419 4.867 ( -0.042 0.000 1.112) 1.113 4.906 ( -1.104 0.000 -1.322) 1.722 4.960 ( -4.866 0.000 2.829) 5.628 4.998 ( -3.425 0.000 0.236) 3.433 5.049 ( -0.032 0.000 -0.727) 0.728 5.103 ( -0.888 0.000 -0.779) 1.181 5.108 ( -0.061 0.000 -0.341) 0.347 5.176 ( 1.933 0.000 2.287) 2.994 5.242 ( -1.238 0.000 1.673) 2.081 5.295 ( -2.123 0.000 2.431) 3.227 5.400 ( -1.873 0.000 -3.114) 3.634 5.454 ( -2.818 0.000 2.298) 3.636 5.487 ( 1.934 0.000 -0.861) 2.117 5.562 ( 0.784 0.000 -0.956) 1.237 5.592 ( -2.919 0.000 0.594) 2.979 5.644 ( -2.435 0.000 -0.536) 2.493 5.712 ( 5.971 0.000 -0.278) 5.977 5.911 ( 1.437 0.000 -0.853) 1.671 5.930 ( 5.220 0.000 1.119) 5.339 6.002 ( 5.561 0.000 -0.732) 5.609 6.004 ( -3.151 0.000 0.795) 3.249 6.341 ( 0.839 0.000 -5.030) 5.099 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 17.101 0.000 -0.808) 17.120 0.800 ( 17.735 0.000 0.237) 17.737 1.087 ( -4.294 0.000 1.798) 4.656 1.318 ( 19.177 0.000 -4.645) 19.731 1.330 ( -1.656 0.000 -2.143) 2.708 1.430 ( 7.987 0.000 1.090) 8.061 1.484 ( 2.049 0.000 -8.315) 8.564 1.537 ( -3.607 0.000 1.587) 3.940 1.570 ( -8.691 0.000 4.675) 9.869 1.624 ( -1.842 0.000 4.505) 4.867 1.711 ( -6.806 0.000 4.113) 7.952 1.731 ( 2.915 0.000 -2.937) 4.138 1.813 ( 3.277 0.000 -2.854) 4.345 1.924 ( 2.356 0.000 2.655) 3.549 1.962 ( -5.728 0.000 3.617) 6.774 2.067 ( 4.795 0.000 0.850) 4.870 2.080 ( 4.063 0.000 5.248) 6.636 2.211 ( 2.039 0.000 -4.970) 5.373 2.212 ( -1.552 0.000 2.295) 2.771 2.229 ( -0.493 0.000 -2.065) 2.123 2.281 ( 1.399 0.000 -7.226) 7.360 2.418 ( 0.848 0.000 -0.868) 1.213 2.452 ( -3.576 0.000 0.039) 3.576 2.475 ( 6.920 0.000 0.711) 6.957 2.557 ( -0.069 0.000 -4.849) 4.849 2.579 ( -2.509 0.000 0.639) 2.589 2.665 ( 2.314 0.000 3.243) 3.984 2.680 ( -1.234 0.000 2.926) 3.175 2.700 ( 5.447 0.000 -2.035) 5.814 2.767 ( 3.277 0.000 2.591) 4.177 2.793 ( -0.081 0.000 -1.988) 1.989 2.816 ( 2.399 0.000 2.848) 3.724 2.877 ( 1.496 0.000 -2.375) 2.807 2.943 ( 0.164 0.000 -0.475) 0.503 2.951 ( -0.916 0.000 -1.467) 1.730 3.030 ( -0.315 0.000 -1.085) 1.129 3.039 ( 1.828 0.000 -2.520) 3.113 3.163 ( 0.052 0.000 0.981) 0.983 3.191 ( 1.514 0.000 2.008) 2.515 3.220 ( -10.722 0.000 1.614) 10.842 3.307 ( -3.234 0.000 2.171) 3.895 3.381 ( -5.636 0.000 -3.817) 6.806 3.485 ( 1.387 0.000 1.353) 1.937 3.558 ( -1.173 0.000 -0.047) 1.174 3.561 ( -2.153 0.000 1.227) 2.478 3.602 ( -1.787 0.000 -0.641) 1.899 3.655 ( -1.324 0.000 0.641) 1.471 3.691 ( 0.912 0.000 1.781) 2.001 3.767 ( -0.811 0.000 -1.209) 1.455 3.777 ( 0.215 0.000 0.431) 0.482 3.805 ( -1.057 0.000 0.345) 1.112 3.828 ( -0.421 0.000 -1.241) 1.310 3.887 ( 0.375 0.000 0.104) 0.389 3.910 ( 0.446 0.000 0.538) 0.699 3.952 ( -1.254 0.000 0.568) 1.376 3.970 ( 1.249 0.000 -0.481) 1.338 3.993 ( -0.447 0.000 0.269) 0.522 4.026 ( -3.176 0.000 -0.029) 3.176 4.089 ( -1.398 0.000 -1.695) 2.196 4.178 ( -0.345 0.000 -0.100) 0.359 4.199 ( 0.784 0.000 1.391) 1.597 4.236 ( -3.581 0.000 -0.961) 3.708 4.301 ( 5.220 0.000 2.887) 5.965 4.340 ( -1.414 0.000 0.906) 1.679 4.389 ( 1.624 0.000 -2.201) 2.735 4.415 ( -0.782 0.000 1.043) 1.303 4.496 ( -1.483 0.000 0.114) 1.487 4.508 ( -2.593 0.000 -3.904) 4.687 4.566 ( -0.654 0.000 2.563) 2.646 4.599 ( 1.046 0.000 -0.374) 1.111 4.626 ( 0.176 0.000 3.154) 3.159 4.643 ( -0.980 0.000 -2.736) 2.906 4.709 ( 1.899 0.000 0.538) 1.974 4.759 ( -0.662 0.000 -1.203) 1.374 4.851 ( -3.170 0.000 2.947) 4.328 4.878 ( 1.253 0.000 -1.094) 1.663 4.901 ( -1.773 0.000 -2.082) 2.735 4.962 ( -0.004 0.000 0.665) 0.665 5.042 ( -0.375 0.000 0.808) 0.890 5.077 ( -1.525 0.000 -1.704) 2.287 5.111 ( 0.378 0.000 -0.325) 0.498 5.137 ( -4.339 0.000 3.704) 5.705 5.252 ( 0.852 0.000 2.715) 2.845 5.308 ( 2.296 0.000 -0.457) 2.341 5.344 ( -2.089 0.000 -3.247) 3.862 5.401 ( -2.544 0.000 1.235) 2.828 5.517 ( -0.259 0.000 0.720) 0.765 5.530 ( -1.350 0.000 -1.161) 1.781 5.558 ( -1.269 0.000 -1.929) 2.309 5.615 ( -0.330 0.000 0.474) 0.577 5.854 ( 5.662 0.000 -1.969) 5.995 5.926 ( 0.461 0.000 -0.402) 0.611 5.933 ( -2.137 0.000 2.763) 3.493 6.015 ( 2.500 0.000 0.559) 2.562 6.117 ( 5.105 0.000 -0.469) 5.126 6.356 ( 0.518 0.000 -1.324) 1.421 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 0.000 -0.000) 0.000 1.025 ( 0.000 0.000 0.000) 0.000 1.028 ( -0.000 0.000 -0.000) 0.000 1.327 ( 0.000 0.000 -0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 -0.000) 0.000 1.453 ( 0.000 0.000 -0.000) 0.000 1.473 ( 0.000 0.000 0.000) 0.000 1.583 ( 0.000 0.000 -0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.747 ( 0.000 0.000 -0.000) 0.000 1.764 ( -0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 -0.000) 0.000 1.886 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 -0.000) 0.000 2.152 ( 0.000 0.000 -0.000) 0.000 2.165 ( 0.000 0.000 -0.000) 0.000 2.228 ( 0.000 0.000 -0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.385 ( 0.000 0.000 -0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.535 ( -0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 -0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 -0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.807 ( 0.000 0.000 -0.000) 0.000 2.814 ( -0.000 0.000 0.000) 0.000 2.818 ( 0.000 0.000 -0.000) 0.000 2.916 ( 0.000 0.000 -0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.950 ( 0.000 0.000 0.000) 0.000 3.022 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.085 ( -0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 -0.000) 0.000 3.244 ( -0.000 0.000 -0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.274 ( 0.000 0.000 -0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 -0.000) 0.000 3.543 ( 0.000 0.000 -0.000) 0.000 3.591 ( 0.000 0.000 -0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 -0.000) 0.000 3.769 ( 0.000 0.000 -0.000) 0.000 3.779 ( 0.000 0.000 0.000) 0.000 3.793 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 -0.000) 0.000 3.893 ( 0.000 0.000 -0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 -0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 3.991 ( 0.000 0.000 -0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 -0.000) 0.000 4.330 ( 0.000 0.000 -0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.388 ( -0.000 0.000 -0.000) 0.000 4.429 ( -0.000 0.000 -0.000) 0.000 4.454 ( 0.000 0.000 -0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.567 ( 0.000 0.000 -0.000) 0.000 4.611 ( 0.000 0.000 -0.000) 0.000 4.626 ( 0.000 0.000 -0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.729 ( 0.000 0.000 -0.000) 0.000 4.745 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 -0.000) 0.000 4.882 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.040 ( 0.000 0.000 -0.000) 0.000 5.059 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 -0.000) 0.000 5.117 ( 0.000 0.000 -0.000) 0.000 5.254 ( 0.000 0.000 -0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 -0.000) 0.000 5.354 ( -0.000 0.000 -0.000) 0.000 5.491 ( 0.000 0.000 -0.000) 0.000 5.540 ( 0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 -0.000) 0.000 5.615 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 -0.000) 0.000 5.931 ( 0.000 0.000 -0.000) 0.000 5.963 ( 0.000 0.000 -0.000) 0.000 6.031 ( 0.000 0.000 -0.000) 0.000 6.170 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 0.000 18.352 0.000) 18.352 0.466 ( 0.000 21.560 0.000) 21.560 0.801 ( 0.000 36.333 0.000) 36.333 1.319 ( 0.000 -2.676 0.000) 2.676 1.320 ( 0.000 0.499 0.000) 0.499 1.425 ( 0.000 2.215 0.000) 2.215 1.443 ( 0.000 0.608 0.000) 0.608 1.490 ( 0.000 -0.649 0.000) 0.649 1.586 ( 0.000 0.723 0.000) 0.723 1.687 ( 0.000 2.822 0.000) 2.822 1.707 ( 0.000 0.290 0.000) 0.290 1.753 ( 0.000 -4.727 0.000) 4.727 1.856 ( 0.000 -0.822 0.000) 0.822 1.903 ( 0.000 0.464 0.000) 0.464 1.982 ( 0.000 1.158 0.000) 1.158 2.054 ( 0.000 -6.630 0.000) 6.630 2.083 ( 0.000 -2.901 0.000) 2.901 2.121 ( 0.000 -1.823 0.000) 1.823 2.140 ( 0.000 -0.358 0.000) 0.358 2.169 ( 0.000 -2.016 0.000) 2.016 2.197 ( 0.000 -3.360 0.000) 3.360 2.296 ( 0.000 -2.474 0.000) 2.474 2.424 ( 0.000 -4.710 0.000) 4.710 2.451 ( 0.000 -3.070 0.000) 3.070 2.497 ( 0.000 -3.253 0.000) 3.253 2.511 ( 0.000 -3.330 0.000) 3.330 2.533 ( 0.000 0.978 0.000) 0.978 2.651 ( 0.000 1.074 0.000) 1.074 2.689 ( 0.000 -6.671 0.000) 6.671 2.726 ( 0.000 -1.983 0.000) 1.983 2.728 ( 0.000 1.405 0.000) 1.405 2.851 ( 0.000 -4.035 0.000) 4.035 2.857 ( 0.000 5.160 0.000) 5.160 2.914 ( 0.000 4.141 0.000) 4.141 2.999 ( 0.000 4.931 0.000) 4.931 3.040 ( 0.000 5.118 0.000) 5.118 3.129 ( 0.000 -1.313 0.000) 1.313 3.145 ( 0.000 0.340 0.000) 0.340 3.175 ( 0.000 2.097 0.000) 2.097 3.373 ( 0.000 -4.402 0.000) 4.402 3.387 ( 0.000 0.243 0.000) 0.243 3.427 ( 0.000 -2.810 0.000) 2.810 3.533 ( 0.000 1.328 0.000) 1.328 3.560 ( 0.000 0.939 0.000) 0.939 3.614 ( 0.000 -3.190 0.000) 3.190 3.649 ( 0.000 -2.000 0.000) 2.000 3.655 ( 0.000 2.377 0.000) 2.377 3.687 ( 0.000 3.215 0.000) 3.215 3.771 ( 0.000 1.693 0.000) 1.693 3.780 ( 0.000 -3.252 0.000) 3.252 3.820 ( 0.000 -2.770 0.000) 2.770 3.884 ( 0.000 -0.419 0.000) 0.419 3.905 ( 0.000 3.289 0.000) 3.289 3.923 ( 0.000 1.514 0.000) 1.514 3.937 ( 0.000 0.126 0.000) 0.126 3.999 ( 0.000 3.299 0.000) 3.299 4.024 ( 0.000 -0.424 0.000) 0.424 4.049 ( 0.000 -4.985 0.000) 4.985 4.075 ( 0.000 -1.048 0.000) 1.048 4.191 ( 0.000 1.231 0.000) 1.231 4.196 ( 0.000 -0.320 0.000) 0.320 4.291 ( 0.000 -3.608 0.000) 3.608 4.347 ( 0.000 0.758 0.000) 0.758 4.355 ( 0.000 0.634 0.000) 0.634 4.385 ( 0.000 -5.451 0.000) 5.451 4.422 ( 0.000 -1.100 0.000) 1.100 4.491 ( 0.000 -0.919 0.000) 0.919 4.546 ( 0.000 -0.195 0.000) 0.195 4.564 ( 0.000 -3.271 0.000) 3.271 4.607 ( 0.000 2.448 0.000) 2.448 4.646 ( 0.000 3.845 0.000) 3.845 4.713 ( 0.000 0.633 0.000) 0.633 4.722 ( 0.000 3.670 0.000) 3.670 4.765 ( 0.000 1.555 0.000) 1.555 4.874 ( 0.000 3.621 0.000) 3.621 4.931 ( 0.000 3.023 0.000) 3.023 5.026 ( 0.000 -0.540 0.000) 0.540 5.052 ( 0.000 0.275 0.000) 0.275 5.104 ( 0.000 -0.327 0.000) 0.327 5.122 ( 0.000 0.363 0.000) 0.363 5.139 ( 0.000 2.696 0.000) 2.696 5.181 ( 0.000 -0.234 0.000) 0.234 5.222 ( 0.000 -0.166 0.000) 0.166 5.294 ( 0.000 -2.175 0.000) 2.175 5.362 ( 0.000 -2.081 0.000) 2.081 5.467 ( 0.000 -2.037 0.000) 2.037 5.511 ( 0.000 -2.234 0.000) 2.234 5.537 ( 0.000 -1.357 0.000) 1.357 5.585 ( 0.000 5.724 0.000) 5.724 5.637 ( 0.000 1.476 0.000) 1.476 5.680 ( 0.000 0.135 0.000) 0.135 5.723 ( 0.000 3.027 0.000) 3.027 5.851 ( 0.000 -3.341 0.000) 3.341 5.908 ( 0.000 2.062 0.000) 2.062 5.976 ( 0.000 0.876 0.000) 0.876 6.390 ( 0.000 -4.654 0.000) 4.654 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 12.648 12.606 -1.038) 17.887 0.600 ( 12.641 14.701 0.989) 19.414 1.057 ( 20.969 24.550 -0.218) 32.287 1.227 ( -4.674 1.930 2.377) 5.588 1.367 ( 1.047 0.789 -1.588) 2.059 1.418 ( -0.778 3.082 1.142) 3.378 1.453 ( 1.963 1.140 -4.917) 5.416 1.520 ( 2.376 -1.522 -2.288) 3.632 1.602 ( 1.975 0.035 1.973) 2.792 1.699 ( -0.157 0.251 -2.926) 2.941 1.736 ( 1.600 1.366 4.582) 5.042 1.777 ( -1.907 -0.785 -1.917) 2.816 1.833 ( -0.759 -1.591 -0.236) 1.779 1.911 ( -1.546 1.039 1.373) 2.315 1.945 ( -2.693 -3.518 1.225) 4.596 1.975 ( 3.203 -1.123 3.064) 4.572 2.072 ( -2.359 -0.561 3.403) 4.178 2.115 ( -0.154 -2.980 2.088) 3.642 2.185 ( 2.534 -0.065 -0.731) 2.638 2.203 ( 2.070 -5.371 -2.878) 6.436 2.223 ( 3.231 -3.734 -4.025) 6.371 2.340 ( 2.157 -3.806 -0.453) 4.399 2.414 ( -1.091 -4.155 0.027) 4.295 2.428 ( -1.367 2.495 -4.848) 5.621 2.478 ( -1.001 -8.497 1.790) 8.741 2.519 ( -0.614 -2.356 -2.605) 3.566 2.543 ( 1.964 -3.616 5.821) 7.128 2.654 ( -0.431 1.235 -1.085) 1.699 2.704 ( 1.337 -4.837 2.690) 5.694 2.726 ( 0.968 -1.027 -3.423) 3.703 2.741 ( 0.877 0.440 -0.893) 1.327 2.821 ( 1.064 0.555 3.464) 3.665 2.918 ( 0.539 4.353 -1.716) 4.710 2.935 ( 3.111 1.568 -3.187) 4.722 2.999 ( 0.400 3.768 -1.141) 3.957 3.028 ( -1.430 3.897 -0.082) 4.152 3.108 ( -0.759 1.199 -0.073) 1.421 3.152 ( 0.384 -1.320 2.025) 2.448 3.192 ( 1.047 3.068 -0.263) 3.252 3.363 ( -3.491 -1.108 2.790) 4.604 3.375 ( -2.096 -0.482 -1.357) 2.543 3.402 ( -0.529 -4.181 -0.380) 4.232 3.491 ( -2.774 2.076 0.260) 3.475 3.563 ( 0.115 0.835 0.485) 0.972 3.615 ( -0.058 -2.047 -1.281) 2.416 3.643 ( -0.610 -1.007 -2.742) 2.984 3.668 ( 0.750 0.043 2.387) 2.502 3.705 ( 0.589 3.974 2.551) 4.759 3.771 ( 0.247 1.152 0.043) 1.179 3.776 ( -0.479 -3.245 -0.465) 3.313 3.820 ( 0.141 -1.674 -0.410) 1.729 3.857 ( -2.741 2.644 4.533) 5.921 3.885 ( -0.934 0.009 -2.230) 2.417 3.898 ( -0.901 -0.269 -0.829) 1.253 3.944 ( 0.008 -0.079 0.024) 0.083 4.004 ( -1.533 1.894 0.296) 2.454 4.029 ( -2.163 -0.539 1.881) 2.917 4.050 ( 1.663 -1.771 0.526) 2.486 4.066 ( 0.302 -1.211 -1.563) 2.000 4.180 ( 0.100 -0.715 -0.107) 0.730 4.213 ( 0.818 1.395 -1.134) 1.975 4.226 ( -4.019 0.652 -0.390) 4.090 4.302 ( -0.977 -0.769 -0.885) 1.526 4.335 ( -0.344 -0.951 1.406) 1.732 4.397 ( 1.104 -2.171 0.083) 2.438 4.440 ( -1.309 1.043 -0.394) 1.719 4.489 ( -0.362 -0.003 -1.413) 1.459 4.538 ( -0.609 -0.393 -0.707) 1.013 4.567 ( -1.009 -3.542 1.473) 3.966 4.600 ( -0.004 0.319 0.806) 0.867 4.646 ( -0.610 2.922 -0.209) 2.993 4.686 ( -1.993 4.221 1.850) 5.021 4.722 ( 0.267 1.305 0.887) 1.601 4.772 ( 1.262 2.104 -1.349) 2.800 4.886 ( -0.396 1.331 0.288) 1.418 4.904 ( -2.564 -0.008 1.057) 2.774 4.942 ( -5.041 0.202 -0.363) 5.059 5.005 ( -2.750 0.634 -1.942) 3.426 5.070 ( -1.651 0.893 -0.101) 1.880 5.095 ( -0.605 0.004 -0.613) 0.861 5.139 ( -1.083 1.529 -0.481) 1.935 5.157 ( -1.468 0.262 3.796) 4.079 5.229 ( 3.850 -0.119 -0.947) 3.967 5.312 ( -3.654 -0.719 1.716) 4.100 5.397 ( -0.059 -0.968 -1.953) 2.180 5.439 ( -0.698 -1.791 2.422) 3.091 5.515 ( -3.382 2.378 0.081) 4.135 5.547 ( 3.960 -0.603 -1.237) 4.192 5.591 ( -3.162 -0.497 -0.244) 3.210 5.662 ( -0.440 3.142 -0.412) 3.199 5.744 ( 5.448 0.875 1.932) 5.846 5.795 ( 7.952 -7.083 -3.435) 11.190 5.890 ( 2.600 -1.039 0.652) 2.875 5.958 ( 3.547 1.074 -0.667) 3.766 6.014 ( 4.076 -0.956 0.728) 4.249 6.328 ( -3.994 -3.356 -1.273) 5.370 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 13.959 6.496 -1.718) 15.493 0.886 ( 15.860 6.677 0.716) 17.223 1.123 ( -3.327 3.731 0.964) 5.091 1.334 ( -0.669 3.649 -3.422) 5.047 1.404 ( -2.275 0.947 5.401) 5.936 1.435 ( 3.101 1.059 1.182) 3.483 1.501 ( 2.611 0.944 -6.059) 6.665 1.556 ( -7.656 2.797 -1.989) 8.390 1.587 ( 6.453 4.293 -1.364) 7.870 1.686 ( -0.712 -1.981 -0.413) 2.145 1.704 ( 0.688 0.680 1.516) 1.798 1.738 ( 1.034 5.778 1.949) 6.185 1.830 ( 3.512 1.688 -1.880) 4.327 1.901 ( -1.371 -0.481 2.578) 2.959 2.011 ( 7.127 -1.249 2.727) 7.733 2.039 ( 0.303 2.240 2.613) 3.455 2.088 ( 4.116 0.310 5.923) 7.220 2.146 ( 2.645 -3.587 1.603) 4.736 2.201 ( -1.098 -2.854 -2.308) 3.831 2.230 ( 1.296 -2.210 -6.123) 6.638 2.287 ( 1.063 -3.986 -4.213) 5.896 2.328 ( 0.578 -4.341 -3.356) 5.518 2.378 ( -2.387 -3.360 1.883) 4.532 2.422 ( -1.280 -5.276 0.533) 5.456 2.486 ( 1.862 -4.591 -1.669) 5.228 2.510 ( -0.486 -5.990 0.916) 6.079 2.577 ( 0.962 -3.978 3.971) 5.703 2.635 ( -1.202 0.429 -0.426) 1.346 2.711 ( -1.433 -2.162 -1.142) 2.834 2.749 ( 3.594 -1.785 -0.105) 4.014 2.800 ( 4.020 -1.478 0.313) 4.294 2.867 ( 2.516 0.237 -1.720) 3.057 2.929 ( 0.506 2.579 -1.832) 3.204 2.968 ( 1.176 6.889 0.546) 7.010 2.985 ( -2.026 0.504 0.292) 2.108 3.023 ( 0.795 1.863 -0.975) 2.248 3.107 ( -0.010 2.461 -1.794) 3.046 3.163 ( 0.710 -1.344 3.831) 4.122 3.211 ( -8.771 -1.064 3.543) 9.520 3.212 ( 0.692 4.110 -0.205) 4.173 3.335 ( -2.321 1.311 -1.243) 2.941 3.384 ( -2.086 1.379 -2.652) 3.645 3.460 ( -0.972 0.184 1.114) 1.490 3.563 ( 0.127 1.061 0.021) 1.069 3.600 ( -1.498 0.927 -0.069) 1.763 3.626 ( -0.856 0.676 -1.315) 1.708 3.665 ( -1.294 0.743 2.052) 2.537 3.723 ( 2.201 1.920 -0.213) 2.929 3.765 ( -0.491 -3.595 -1.054) 3.779 3.778 ( 0.259 2.181 0.709) 2.308 3.813 ( -1.342 1.384 2.341) 3.033 3.824 ( -0.178 0.525 -0.479) 0.733 3.855 ( -2.327 -1.915 -0.323) 3.030 3.893 ( 0.202 -0.945 -1.329) 1.643 3.947 ( 0.538 0.675 -1.201) 1.479 3.973 ( -0.055 -0.342 3.446) 3.464 4.008 ( -1.052 1.487 0.951) 2.055 4.036 ( -2.193 -0.099 -2.282) 3.166 4.079 ( 0.657 0.121 0.310) 0.736 4.172 ( -1.356 -0.629 -0.635) 1.624 4.203 ( 1.394 0.447 0.059) 1.465 4.266 ( -1.942 2.060 -0.078) 2.832 4.269 ( 3.439 -1.670 3.629) 5.271 4.337 ( -0.126 -1.680 -2.158) 2.738 4.396 ( -0.727 -1.799 0.476) 1.998 4.413 ( -0.800 1.588 0.097) 1.780 4.485 ( -0.733 -0.172 -3.582) 3.660 4.521 ( -1.433 0.741 0.337) 1.648 4.533 ( -1.050 -1.814 0.123) 2.100 4.591 ( -1.300 -3.213 1.031) 3.616 4.622 ( -1.154 0.669 0.248) 1.356 4.663 ( -0.529 3.493 0.346) 3.550 4.731 ( 0.450 0.476 1.793) 1.909 4.786 ( -0.087 0.754 -0.470) 0.893 4.823 ( -2.192 0.106 1.150) 2.478 4.878 ( -1.954 -0.845 -0.933) 2.324 4.905 ( -0.418 0.520 -1.664) 1.793 4.992 ( 1.518 2.171 -0.359) 2.673 5.046 ( -0.899 0.002 0.103) 0.904 5.076 ( -1.333 0.187 -1.305) 1.875 5.108 ( -1.721 -0.856 0.746) 2.062 5.145 ( 0.010 2.917 2.879) 4.098 5.247 ( -2.519 -1.923 0.701) 3.246 5.300 ( 2.879 0.023 0.337) 2.899 5.361 ( -1.740 0.072 -0.965) 1.991 5.405 ( -2.873 0.604 -0.145) 2.940 5.478 ( -0.580 -2.163 -0.723) 2.353 5.521 ( -2.778 -0.106 1.020) 2.961 5.605 ( 0.891 2.432 -2.362) 3.505 5.651 ( -0.172 3.446 0.171) 3.455 5.827 ( 1.575 -2.060 -0.169) 2.599 5.889 ( 3.550 -2.877 1.392) 4.777 5.937 ( 1.387 -0.072 -1.801) 2.274 6.001 ( 1.792 -0.546 1.519) 2.412 6.103 ( 3.913 -1.661 0.036) 4.251 6.294 ( 0.118 -5.077 -0.982) 5.172 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -0.000 3.266 -0.000) 3.266 1.113 ( 0.000 6.329 0.000) 6.329 1.138 ( -0.000 8.795 -0.000) 8.795 1.228 ( -0.000 -8.666 -0.000) 8.666 1.322 ( 0.000 0.256 -0.000) 0.256 1.398 ( 0.000 1.880 0.000) 1.880 1.504 ( -0.000 3.386 0.000) 3.386 1.569 ( -0.000 5.337 -0.000) 5.337 1.598 ( -0.000 1.842 0.000) 1.842 1.649 ( 0.000 -1.312 -0.000) 1.312 1.706 ( -0.000 -4.091 0.000) 4.091 1.824 ( -0.000 1.425 -0.000) 1.425 1.862 ( 0.000 0.804 -0.000) 0.804 1.981 ( -0.000 10.522 -0.000) 10.522 2.046 ( 0.000 4.873 0.000) 4.873 2.081 ( -0.000 -3.430 -0.000) 3.430 2.112 ( -0.000 -0.555 0.000) 0.555 2.171 ( 0.000 -0.027 -0.000) 0.027 2.204 ( -0.000 -2.170 -0.000) 2.170 2.211 ( 0.000 -1.381 0.000) 1.381 2.311 ( -0.000 -4.697 0.000) 4.697 2.316 ( 0.000 -1.642 -0.000) 1.642 2.373 ( 0.000 -3.528 0.000) 3.528 2.401 ( 0.000 -10.464 -0.000) 10.464 2.497 ( 0.000 -8.397 0.000) 8.397 2.516 ( 0.000 -2.456 0.000) 2.456 2.560 ( 0.000 -1.577 -0.000) 1.577 2.630 ( 0.000 -0.917 -0.000) 0.917 2.692 ( -0.000 -4.004 0.000) 4.004 2.806 ( 0.000 -2.182 -0.000) 2.182 2.845 ( -0.000 -3.899 0.000) 3.899 2.910 ( 0.000 4.043 0.000) 4.043 2.942 ( 0.000 -0.325 -0.000) 0.325 2.947 ( -0.000 -0.891 0.000) 0.891 3.013 ( -0.000 8.576 0.000) 8.576 3.022 ( 0.000 0.042 -0.000) 0.042 3.039 ( -0.000 0.224 0.000) 0.224 3.108 ( -0.000 2.828 0.000) 2.828 3.205 ( -0.000 -0.209 -0.000) 0.209 3.248 ( -0.000 0.315 -0.000) 0.315 3.278 ( 0.000 4.496 0.000) 4.496 3.361 ( 0.000 5.912 0.000) 5.912 3.445 ( 0.000 -2.175 -0.000) 2.175 3.569 ( 0.000 1.733 -0.000) 1.733 3.579 ( 0.000 2.278 0.000) 2.278 3.616 ( 0.000 1.039 -0.000) 1.039 3.649 ( 0.000 1.962 0.000) 1.962 3.759 ( 0.000 -3.050 -0.000) 3.050 3.766 ( -0.000 2.483 0.000) 2.483 3.784 ( -0.000 2.224 0.000) 2.224 3.789 ( 0.000 -5.182 -0.000) 5.182 3.815 ( -0.000 2.898 0.000) 2.898 3.830 ( 0.000 0.010 -0.000) 0.010 3.897 ( -0.000 -1.113 0.000) 1.113 3.955 ( -0.000 0.464 0.000) 0.464 3.988 ( -0.000 -0.215 -0.000) 0.215 3.995 ( 0.000 1.110 0.000) 1.110 4.000 ( -0.000 0.602 -0.000) 0.602 4.085 ( 0.000 0.923 0.000) 0.923 4.156 ( 0.000 -0.919 0.000) 0.919 4.217 ( 0.000 0.780 0.000) 0.780 4.241 ( 0.000 3.037 0.000) 3.037 4.317 ( -0.000 -1.858 -0.000) 1.858 4.336 ( 0.000 -3.216 0.000) 3.216 4.397 ( -0.000 -2.457 -0.000) 2.457 4.405 ( 0.000 1.678 -0.000) 1.678 4.453 ( 0.000 0.554 0.000) 0.554 4.499 ( 0.000 0.997 -0.000) 0.997 4.537 ( 0.000 -2.289 0.000) 2.289 4.577 ( 0.000 -4.530 -0.000) 4.530 4.607 ( 0.000 0.259 0.000) 0.259 4.660 ( 0.000 3.661 0.000) 3.661 4.733 ( -0.000 0.141 -0.000) 0.141 4.792 ( 0.000 -2.498 -0.000) 2.498 4.796 ( 0.000 4.027 0.000) 4.027 4.863 ( 0.000 -2.123 0.000) 2.123 4.896 ( 0.000 0.857 0.000) 0.857 5.027 ( 0.000 1.127 -0.000) 1.127 5.032 ( -0.000 -0.135 -0.000) 0.135 5.062 ( 0.000 0.761 0.000) 0.761 5.081 ( 0.000 0.324 0.000) 0.324 5.149 ( 0.000 4.174 -0.000) 4.174 5.222 ( 0.000 -2.799 -0.000) 2.799 5.329 ( -0.000 -2.135 0.000) 2.135 5.341 ( 0.000 -0.003 -0.000) 0.003 5.373 ( 0.000 1.772 -0.000) 1.772 5.474 ( 0.000 -2.937 -0.000) 2.937 5.492 ( -0.000 0.006 0.000) 0.006 5.607 ( 0.000 3.311 0.000) 3.311 5.658 ( 0.000 3.473 -0.000) 3.473 5.818 ( 0.000 -3.130 0.000) 3.130 5.923 ( 0.000 -1.496 -0.000) 1.496 5.969 ( 0.000 0.511 0.000) 0.511 6.015 ( 0.000 -1.313 -0.000) 1.313 6.142 ( 0.000 -2.413 -0.000) 2.413 6.300 ( 0.000 -5.036 0.000) 5.036 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 0.000 16.354 0.000) 16.354 0.907 ( 0.000 19.726 0.000) 19.726 1.248 ( 0.000 -3.465 0.000) 3.465 1.338 ( 0.000 0.631 0.000) 0.631 1.396 ( 0.000 -0.224 0.000) 0.224 1.468 ( 0.000 9.046 0.000) 9.046 1.496 ( 0.000 5.531 0.000) 5.531 1.596 ( 0.000 5.151 0.000) 5.151 1.601 ( 0.000 4.460 0.000) 4.460 1.628 ( 0.000 2.519 0.000) 2.519 1.717 ( 0.000 1.189 0.000) 1.189 1.741 ( 0.000 1.772 0.000) 1.772 1.857 ( 0.000 1.267 0.000) 1.267 1.892 ( 0.000 -1.544 0.000) 1.544 1.923 ( 0.000 -0.912 0.000) 0.912 1.982 ( 0.000 -5.670 0.000) 5.670 1.991 ( 0.000 -4.961 0.000) 4.961 2.066 ( 0.000 -3.720 0.000) 3.720 2.111 ( 0.000 -1.943 0.000) 1.943 2.138 ( 0.000 -0.395 0.000) 0.395 2.152 ( 0.000 0.212 0.000) 0.212 2.243 ( 0.000 -10.681 0.000) 10.681 2.244 ( 0.000 -3.547 0.000) 3.547 2.286 ( 0.000 -2.491 0.000) 2.491 2.447 ( 0.000 -4.256 0.000) 4.256 2.482 ( 0.000 -0.151 0.000) 0.151 2.521 ( 0.000 -7.987 0.000) 7.987 2.634 ( 0.000 6.032 0.000) 6.032 2.650 ( 0.000 -2.456 0.000) 2.456 2.697 ( 0.000 -0.481 0.000) 0.481 2.746 ( 0.000 -0.927 0.000) 0.927 2.827 ( 0.000 0.814 0.000) 0.814 2.975 ( 0.000 6.415 0.000) 6.415 3.008 ( 0.000 3.033 0.000) 3.033 3.017 ( 0.000 -6.055 0.000) 6.055 3.061 ( 0.000 0.508 0.000) 0.508 3.135 ( 0.000 1.188 0.000) 1.188 3.206 ( 0.000 5.718 0.000) 5.718 3.254 ( 0.000 4.802 0.000) 4.802 3.259 ( 0.000 -6.031 0.000) 6.031 3.366 ( 0.000 -2.568 0.000) 2.568 3.409 ( 0.000 2.043 0.000) 2.043 3.492 ( 0.000 -5.983 0.000) 5.983 3.558 ( 0.000 -1.288 0.000) 1.288 3.573 ( 0.000 -4.217 0.000) 4.217 3.584 ( 0.000 0.602 0.000) 0.602 3.657 ( 0.000 -1.557 0.000) 1.557 3.692 ( 0.000 -2.766 0.000) 2.766 3.740 ( 0.000 3.614 0.000) 3.614 3.813 ( 0.000 1.284 0.000) 1.284 3.860 ( 0.000 -2.100 0.000) 2.100 3.880 ( 0.000 4.887 0.000) 4.887 3.910 ( 0.000 -1.303 0.000) 1.303 3.941 ( 0.000 -0.953 0.000) 0.953 3.955 ( 0.000 -0.487 0.000) 0.487 3.976 ( 0.000 0.067 0.000) 0.067 4.026 ( 0.000 0.180 0.000) 0.180 4.064 ( 0.000 1.416 0.000) 1.416 4.072 ( 0.000 2.587 0.000) 2.587 4.184 ( 0.000 -4.230 0.000) 4.230 4.211 ( 0.000 2.592 0.000) 2.592 4.242 ( 0.000 0.719 0.000) 0.719 4.339 ( 0.000 -1.524 0.000) 1.524 4.347 ( 0.000 2.054 0.000) 2.054 4.362 ( 0.000 -2.992 0.000) 2.992 4.375 ( 0.000 1.138 0.000) 1.138 4.480 ( 0.000 0.055 0.000) 0.055 4.496 ( 0.000 -2.318 0.000) 2.318 4.520 ( 0.000 -2.287 0.000) 2.287 4.653 ( 0.000 -5.178 0.000) 5.178 4.699 ( 0.000 4.149 0.000) 4.149 4.751 ( 0.000 4.735 0.000) 4.735 4.759 ( 0.000 0.511 0.000) 0.511 4.806 ( 0.000 0.894 0.000) 0.894 4.960 ( 0.000 3.945 0.000) 3.945 4.991 ( 0.000 1.954 0.000) 1.954 5.011 ( 0.000 -0.663 0.000) 0.663 5.037 ( 0.000 -0.435 0.000) 0.435 5.122 ( 0.000 1.691 0.000) 1.691 5.135 ( 0.000 0.770 0.000) 0.770 5.186 ( 0.000 0.556 0.000) 0.556 5.200 ( 0.000 1.449 0.000) 1.449 5.227 ( 0.000 1.629 0.000) 1.629 5.268 ( 0.000 -0.501 0.000) 0.501 5.328 ( 0.000 -0.803 0.000) 0.803 5.410 ( 0.000 -3.227 0.000) 3.227 5.465 ( 0.000 -1.836 0.000) 1.836 5.489 ( 0.000 -2.859 0.000) 2.859 5.651 ( 0.000 1.133 0.000) 1.133 5.681 ( 0.000 -0.119 0.000) 0.119 5.704 ( 0.000 2.933 0.000) 2.933 5.785 ( 0.000 -2.575 0.000) 2.575 5.824 ( 0.000 6.863 0.000) 6.863 5.961 ( 0.000 3.042 0.000) 3.042 5.977 ( 0.000 -0.754 0.000) 0.754 6.253 ( 0.000 -7.901 0.000) 7.901 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 6.272 13.879 -0.378) 15.235 0.947 ( 3.919 16.416 0.026) 16.877 1.253 ( -0.608 0.108 -1.174) 1.327 1.365 ( 1.857 -1.359 3.303) 4.026 1.417 ( 1.638 -0.162 0.078) 1.647 1.485 ( 0.598 4.040 2.710) 4.901 1.501 ( 1.193 3.537 -5.860) 6.948 1.602 ( -0.971 1.455 1.837) 2.537 1.652 ( 4.505 10.144 -0.151) 11.101 1.689 ( 6.061 -1.797 1.625) 6.527 1.732 ( 3.474 2.983 -4.680) 6.547 1.785 ( 1.699 2.284 1.754) 3.344 1.829 ( -4.268 -0.407 -2.145) 4.794 1.868 ( -1.567 6.123 -2.662) 6.858 1.930 ( 3.012 -1.814 0.433) 3.542 1.960 ( 0.697 -3.437 0.829) 3.604 1.988 ( 0.348 -7.100 1.313) 7.229 2.063 ( 0.428 -4.656 -0.159) 4.678 2.121 ( 1.626 2.029 2.113) 3.350 2.157 ( 1.097 -2.116 3.648) 4.358 2.190 ( 1.883 -1.146 -0.292) 2.224 2.226 ( -1.613 -5.373 -1.442) 5.792 2.235 ( 0.520 -7.936 -0.521) 7.970 2.319 ( 1.750 -3.284 -0.858) 3.819 2.447 ( -0.018 -2.709 0.586) 2.772 2.491 ( 0.503 -0.885 0.712) 1.242 2.518 ( -1.112 -5.099 0.320) 5.228 2.582 ( -1.151 0.461 -0.386) 1.298 2.682 ( -0.312 -0.213 -0.369) 0.528 2.715 ( 2.771 0.101 0.022) 2.773 2.754 ( -0.579 -0.314 -1.883) 1.995 2.804 ( 0.221 -0.202 0.833) 0.885 2.969 ( -2.751 -2.806 -1.697) 4.280 3.012 ( -1.191 -0.477 0.250) 1.307 3.029 ( 2.703 2.317 1.602) 3.904 3.063 ( 1.103 2.493 -0.324) 2.746 3.142 ( 1.112 3.076 -3.132) 4.528 3.187 ( -1.007 2.346 -0.478) 2.598 3.243 ( 0.035 0.735 3.194) 3.277 3.324 ( 2.211 -1.552 0.751) 2.803 3.350 ( -1.249 1.219 -0.522) 1.822 3.397 ( -0.020 1.705 1.939) 2.582 3.496 ( 0.269 -3.038 -0.773) 3.146 3.554 ( -0.399 -3.289 -0.850) 3.421 3.585 ( 1.519 -1.224 -1.985) 2.783 3.594 ( 0.735 -0.013 -0.274) 0.784 3.652 ( -0.571 -1.396 1.233) 1.948 3.687 ( -0.234 -2.836 -0.598) 2.908 3.749 ( 0.148 1.703 1.491) 2.268 3.812 ( -0.607 -0.930 0.152) 1.121 3.839 ( -0.811 -0.780 -2.087) 2.371 3.874 ( -0.771 3.753 0.042) 3.832 3.896 ( -1.540 1.141 1.186) 2.254 3.928 ( -0.829 1.800 1.898) 2.744 3.958 ( 0.387 0.430 -0.889) 1.061 3.979 ( 0.126 -0.468 -0.542) 0.727 4.034 ( -0.401 -0.075 2.588) 2.620 4.049 ( 0.933 0.472 -0.160) 1.057 4.076 ( -0.550 2.019 2.800) 3.495 4.190 ( -0.955 1.343 -1.225) 2.054 4.206 ( 0.890 -2.171 -1.973) 3.066 4.255 ( 0.721 -0.755 -1.463) 1.797 4.276 ( -3.045 1.222 0.035) 3.281 4.337 ( -1.053 1.566 1.185) 2.228 4.372 ( -0.391 0.282 -1.043) 1.149 4.397 ( 1.342 -4.690 -4.127) 6.389 4.469 ( -1.491 -2.376 0.839) 2.928 4.493 ( 0.247 0.049 1.881) 1.898 4.518 ( -0.105 -1.935 1.077) 2.217 4.652 ( -1.230 -2.844 0.585) 3.154 4.674 ( -2.206 2.766 0.651) 3.598 4.740 ( -1.797 1.316 0.581) 2.302 4.756 ( 0.452 3.011 2.035) 3.662 4.798 ( -1.140 0.646 -1.025) 1.664 4.919 ( -5.045 2.127 0.274) 5.482 4.932 ( -2.098 2.206 -0.102) 3.046 4.970 ( -4.193 1.059 -3.065) 5.301 5.016 ( -0.199 0.277 1.414) 1.455 5.073 ( -3.156 0.206 -1.107) 3.351 5.115 ( -1.584 1.019 -0.747) 2.026 5.131 ( -1.528 -0.157 0.277) 1.561 5.206 ( -0.692 -1.056 -0.148) 1.271 5.233 ( 1.439 3.223 -0.137) 3.532 5.299 ( -1.178 0.040 0.922) 1.496 5.366 ( 0.656 -1.455 -0.069) 1.598 5.392 ( -0.815 -2.256 3.196) 3.996 5.531 ( 6.906 -0.682 -3.151) 7.622 5.544 ( -3.628 0.347 -0.400) 3.666 5.588 ( -3.917 0.012 0.084) 3.918 5.651 ( 7.658 -4.414 -0.934) 8.888 5.774 ( 0.896 5.031 0.150) 5.112 5.806 ( 1.167 3.134 2.061) 3.928 5.876 ( 3.857 -0.139 -0.632) 3.911 5.981 ( 1.270 0.768 -1.574) 2.163 5.988 ( 2.381 -0.781 1.528) 2.935 6.211 ( -3.447 -7.016 -0.344) 7.824 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 8.451 8.921 -1.019) 12.330 1.045 ( 5.864 7.950 -1.178) 9.949 1.233 ( -0.433 5.337 0.009) 5.355 1.359 ( -4.679 -3.316 3.565) 6.753 1.407 ( -1.077 0.571 2.318) 2.619 1.494 ( 0.051 3.607 -0.443) 3.635 1.543 ( 2.049 2.641 -1.247) 3.568 1.580 ( -1.117 0.639 -1.179) 1.746 1.674 ( -2.662 0.884 -1.344) 3.111 1.686 ( -1.807 3.502 -2.449) 4.639 1.757 ( -2.382 4.975 -0.834) 5.579 1.819 ( 3.015 2.464 -2.027) 4.390 1.865 ( 2.794 -2.710 3.681) 5.357 1.903 ( 4.650 -0.050 -3.438) 5.783 1.992 ( 5.117 -3.601 2.385) 6.696 2.024 ( 2.880 -3.517 0.772) 4.611 2.065 ( 6.267 -1.625 -2.253) 6.855 2.079 ( 1.195 -4.360 2.129) 4.997 2.157 ( -0.609 -0.531 1.639) 1.827 2.167 ( 0.724 -1.722 2.426) 3.062 2.212 ( 1.647 -1.067 1.067) 2.234 2.227 ( 3.129 -0.521 -2.895) 4.295 2.267 ( 2.419 -5.347 1.822) 6.145 2.323 ( -1.261 -1.683 -0.185) 2.111 2.439 ( -2.698 -0.684 -2.219) 3.559 2.448 ( -0.559 -1.790 -1.174) 2.212 2.539 ( 2.489 -0.226 0.829) 2.633 2.597 ( 1.279 -2.356 2.274) 3.515 2.688 ( 0.859 -1.912 -0.903) 2.282 2.711 ( -1.876 -0.214 0.010) 1.888 2.772 ( 1.965 -0.612 0.432) 2.103 2.847 ( 3.266 -1.725 -0.978) 3.821 2.919 ( -2.045 -3.425 -0.387) 4.008 2.957 ( -3.819 -3.205 -1.314) 5.156 3.056 ( 0.065 3.191 0.070) 3.192 3.106 ( 2.491 3.830 -0.723) 4.626 3.167 ( -0.267 3.206 -0.254) 3.227 3.172 ( -2.054 1.108 -1.339) 2.691 3.211 ( -0.658 1.247 3.813) 4.065 3.288 ( -2.780 0.841 -1.175) 3.133 3.366 ( 1.412 4.095 1.282) 4.518 3.426 ( 1.795 2.407 -0.047) 3.003 3.502 ( -0.674 0.850 -0.211) 1.105 3.555 ( 0.961 -2.297 -0.725) 2.593 3.603 ( -0.184 -0.896 -2.164) 2.349 3.611 ( 1.358 -1.759 -0.808) 2.365 3.641 ( -0.320 -0.786 1.063) 1.360 3.682 ( -0.392 -2.754 -0.030) 2.782 3.739 ( -0.633 0.215 1.267) 1.433 3.796 ( -0.688 -2.567 2.555) 3.687 3.830 ( -0.813 0.635 -2.778) 2.963 3.853 ( -0.777 -0.891 0.177) 1.196 3.874 ( -0.717 4.766 0.867) 4.897 3.923 ( -0.115 5.158 0.583) 5.192 3.962 ( 0.227 0.488 -0.828) 0.988 3.983 ( 0.689 1.826 0.957) 2.174 4.023 ( -1.520 -0.353 1.124) 1.923 4.043 ( -0.736 0.515 1.152) 1.461 4.091 ( 1.954 0.404 0.855) 2.171 4.174 ( -0.933 0.901 -0.566) 1.415 4.210 ( 0.180 -0.126 0.099) 0.240 4.248 ( -0.068 -0.501 1.152) 1.258 4.274 ( 0.422 -3.311 -4.426) 5.543 4.309 ( -1.422 1.981 0.087) 2.440 4.361 ( -0.402 -0.401 -0.429) 0.711 4.415 ( 0.569 -4.210 -2.186) 4.777 4.442 ( -0.771 -3.315 0.109) 3.406 4.497 ( -0.040 -0.993 1.736) 2.001 4.518 ( -0.071 -0.265 1.600) 1.623 4.573 ( -5.229 2.886 -0.856) 6.034 4.637 ( -2.081 0.168 1.330) 2.475 4.711 ( -0.823 -2.617 -0.042) 2.744 4.762 ( -1.077 0.926 0.508) 1.508 4.771 ( 0.093 4.143 1.834) 4.532 4.863 ( -1.240 1.629 -0.128) 2.051 4.896 ( -2.091 2.256 -0.344) 3.095 4.916 ( -1.192 0.247 -2.264) 2.571 5.017 ( 0.381 0.001 0.674) 0.774 5.028 ( -1.428 -1.077 -0.603) 1.887 5.087 ( -0.931 0.261 -0.264) 1.003 5.107 ( -1.310 0.814 -0.275) 1.567 5.173 ( -2.093 -2.947 -0.416) 3.639 5.246 ( 0.551 3.963 0.784) 4.077 5.298 ( -0.476 0.013 0.238) 0.532 5.342 ( -1.014 -1.641 -0.232) 1.943 5.389 ( 0.109 -1.643 0.825) 1.841 5.469 ( -2.930 0.696 -0.334) 3.030 5.510 ( -2.666 -1.001 -0.265) 2.860 5.648 ( 2.948 1.895 -2.185) 4.130 5.736 ( -0.363 1.741 1.681) 2.447 5.790 ( 0.423 0.491 -0.308) 0.717 5.845 ( 3.298 -0.416 0.795) 3.417 5.932 ( 2.594 -0.419 -1.310) 2.936 5.983 ( -0.145 -1.732 1.247) 2.139 6.061 ( 3.144 -1.329 0.225) 3.421 6.173 ( 0.030 -5.708 -0.697) 5.751 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -0.000 4.887 -0.000) 4.887 1.148 ( 0.000 2.650 -0.000) 2.650 1.239 ( -0.000 -1.400 -0.000) 1.400 1.265 ( 0.000 7.161 0.000) 7.161 1.401 ( 0.000 2.611 -0.000) 2.611 1.441 ( -0.000 4.051 0.000) 4.051 1.559 ( -0.000 1.355 0.000) 1.355 1.604 ( -0.000 -1.714 0.000) 1.714 1.652 ( 0.000 2.554 -0.000) 2.554 1.689 ( -0.000 4.950 0.000) 4.950 1.693 ( 0.000 5.678 0.000) 5.678 1.849 ( -0.000 2.618 0.000) 2.618 1.889 ( 0.000 0.831 -0.000) 0.831 1.970 ( -0.000 -5.770 -0.000) 5.770 2.016 ( 0.000 -11.689 -0.000) 11.689 2.080 ( -0.000 -1.487 0.000) 1.487 2.082 ( 0.000 -6.223 -0.000) 6.223 2.132 ( 0.000 -5.326 -0.000) 5.326 2.160 ( -0.000 2.819 0.000) 2.819 2.174 ( 0.000 -1.119 0.000) 1.119 2.212 ( 0.000 -2.591 -0.000) 2.591 2.266 ( -0.000 0.155 -0.000) 0.155 2.295 ( 0.000 -0.426 0.000) 0.426 2.323 ( -0.000 -2.720 -0.000) 2.720 2.424 ( 0.000 1.637 0.000) 1.637 2.448 ( 0.000 -1.990 -0.000) 1.990 2.576 ( -0.000 2.679 0.000) 2.679 2.623 ( 0.000 0.322 0.000) 0.322 2.648 ( -0.000 -0.297 -0.000) 0.297 2.725 ( 0.000 -5.491 0.000) 5.491 2.792 ( 0.000 -0.941 -0.000) 0.941 2.887 ( 0.000 -3.780 -0.000) 3.780 2.895 ( -0.000 -2.646 -0.000) 2.646 2.916 ( 0.000 -1.827 0.000) 1.827 3.056 ( 0.000 2.954 -0.000) 2.954 3.075 ( 0.000 3.520 0.000) 3.520 3.151 ( 0.000 3.211 -0.000) 3.211 3.180 ( 0.000 3.196 -0.000) 3.196 3.228 ( -0.000 1.711 0.000) 1.711 3.252 ( 0.000 0.025 -0.000) 0.025 3.384 ( 0.000 4.793 0.000) 4.793 3.454 ( -0.000 2.400 -0.000) 2.400 3.468 ( 0.000 2.905 0.000) 2.905 3.583 ( -0.000 -0.157 0.000) 0.157 3.590 ( 0.000 -1.362 -0.000) 1.362 3.628 ( 0.000 0.004 -0.000) 0.004 3.642 ( 0.000 -2.927 -0.000) 2.927 3.675 ( 0.000 -2.971 0.000) 2.971 3.736 ( -0.000 -0.587 -0.000) 0.587 3.784 ( 0.000 -0.803 0.000) 0.803 3.824 ( -0.000 -0.517 0.000) 0.517 3.843 ( 0.000 -2.440 0.000) 2.440 3.866 ( 0.000 4.400 -0.000) 4.400 3.924 ( 0.000 6.372 -0.000) 6.372 3.962 ( 0.000 0.606 0.000) 0.606 3.996 ( 0.000 1.230 -0.000) 1.230 4.007 ( -0.000 -0.200 -0.000) 0.200 4.032 ( -0.000 1.807 0.000) 1.807 4.117 ( 0.000 1.265 -0.000) 1.265 4.161 ( 0.000 1.699 0.000) 1.699 4.207 ( 0.000 -2.196 -0.000) 2.196 4.263 ( 0.000 -2.138 0.000) 2.138 4.266 ( -0.000 -2.874 -0.000) 2.874 4.296 ( 0.000 1.847 0.000) 1.847 4.360 ( 0.000 -0.569 -0.000) 0.569 4.421 ( 0.000 -3.242 0.000) 3.242 4.438 ( 0.000 -4.360 0.000) 4.360 4.494 ( 0.000 -1.625 -0.000) 1.625 4.512 ( 0.000 4.044 0.000) 4.044 4.516 ( 0.000 0.603 -0.000) 0.603 4.613 ( 0.000 0.634 -0.000) 0.634 4.703 ( 0.000 -5.279 -0.000) 5.279 4.756 ( 0.000 1.983 -0.000) 1.983 4.769 ( -0.000 4.780 0.000) 4.780 4.850 ( 0.000 1.071 -0.000) 1.071 4.880 ( 0.000 3.367 0.000) 3.367 4.904 ( 0.000 -0.136 0.000) 0.136 5.014 ( -0.000 -2.046 -0.000) 2.046 5.022 ( 0.000 -0.336 0.000) 0.336 5.081 ( 0.000 0.987 0.000) 0.987 5.091 ( 0.000 0.313 0.000) 0.313 5.148 ( 0.000 -3.745 -0.000) 3.745 5.256 ( 0.000 2.461 -0.000) 2.461 5.296 ( 0.000 1.548 0.000) 1.548 5.317 ( 0.000 -2.202 -0.000) 2.202 5.396 ( 0.000 -0.127 -0.000) 0.127 5.442 ( 0.000 0.252 0.000) 0.252 5.485 ( 0.000 -0.748 -0.000) 0.748 5.666 ( -0.000 2.127 0.000) 2.127 5.753 ( -0.000 4.885 0.000) 4.885 5.754 ( 0.000 -2.664 -0.000) 2.664 5.879 ( 0.000 -2.189 -0.000) 2.189 5.970 ( 0.000 -0.416 -0.000) 0.416 5.983 ( 0.000 -1.602 -0.000) 1.602 6.089 ( 0.000 -1.762 -0.000) 1.762 6.182 ( 0.000 -5.356 0.000) 5.356 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 0.000 -12.307 0.000) 12.307 1.083 ( 0.000 12.307 0.000) 12.307 1.275 ( 0.000 -11.842 0.000) 11.842 1.275 ( 0.000 11.842 0.000) 11.842 1.364 ( 0.000 -5.441 0.000) 5.441 1.364 ( 0.000 5.441 0.000) 5.441 1.623 ( 0.000 -2.972 0.000) 2.972 1.623 ( 0.000 2.972 0.000) 2.972 1.679 ( 0.000 -7.593 0.000) 7.593 1.679 ( 0.000 7.593 0.000) 7.593 1.769 ( 0.000 -0.796 0.000) 0.796 1.769 ( 0.000 0.796 0.000) 0.796 1.861 ( 0.000 -0.920 0.000) 0.920 1.861 ( 0.000 0.920 0.000) 0.920 1.926 ( 0.000 -1.550 0.000) 1.550 1.926 ( 0.000 1.550 0.000) 1.550 2.014 ( 0.000 -5.536 0.000) 5.536 2.014 ( 0.000 5.536 0.000) 5.536 2.109 ( 0.000 -1.258 0.000) 1.258 2.109 ( 0.000 1.258 0.000) 1.258 2.165 ( 0.000 -0.058 0.000) 0.058 2.165 ( 0.000 0.058 0.000) 0.058 2.247 ( 0.000 -14.398 0.000) 14.398 2.247 ( 0.000 14.398 0.000) 14.398 2.373 ( 0.000 -6.270 0.000) 6.270 2.373 ( 0.000 6.270 0.000) 6.270 2.535 ( 0.000 -5.940 0.000) 5.940 2.535 ( 0.000 5.940 0.000) 5.940 2.707 ( 0.000 -1.490 0.000) 1.490 2.707 ( 0.000 1.490 0.000) 1.490 2.764 ( 0.000 -6.027 0.000) 6.027 2.764 ( 0.000 6.027 0.000) 6.027 2.978 ( 0.000 -2.571 0.000) 2.571 2.978 ( 0.000 2.571 0.000) 2.571 3.110 ( 0.000 -3.928 0.000) 3.928 3.110 ( 0.000 3.928 0.000) 3.928 3.129 ( 0.000 -5.566 0.000) 5.566 3.129 ( 0.000 5.566 0.000) 5.566 3.317 ( 0.000 -3.293 0.000) 3.293 3.317 ( 0.000 3.293 0.000) 3.293 3.360 ( 0.000 -5.599 0.000) 5.599 3.360 ( 0.000 5.599 0.000) 5.599 3.474 ( 0.000 -4.020 0.000) 4.020 3.474 ( 0.000 4.020 0.000) 4.020 3.569 ( 0.000 -1.324 0.000) 1.324 3.569 ( 0.000 1.324 0.000) 1.324 3.653 ( 0.000 -1.066 0.000) 1.066 3.653 ( 0.000 1.066 0.000) 1.066 3.803 ( 0.000 -2.347 0.000) 2.347 3.803 ( 0.000 2.347 0.000) 2.347 3.862 ( 0.000 -2.488 0.000) 2.488 3.862 ( 0.000 2.488 0.000) 2.488 3.930 ( 0.000 -0.382 0.000) 0.382 3.930 ( 0.000 0.382 0.000) 0.382 3.982 ( 0.000 -1.032 0.000) 1.032 3.982 ( 0.000 1.032 0.000) 1.032 4.036 ( 0.000 -3.416 0.000) 3.416 4.036 ( 0.000 3.416 0.000) 3.416 4.120 ( 0.000 -2.275 0.000) 2.275 4.120 ( 0.000 2.275 0.000) 2.275 4.263 ( 0.000 -0.191 0.000) 0.191 4.263 ( 0.000 0.191 0.000) 0.191 4.309 ( 0.000 -0.655 0.000) 0.655 4.309 ( 0.000 0.655 0.000) 0.655 4.412 ( 0.000 -0.294 0.000) 0.294 4.412 ( 0.000 0.294 0.000) 0.294 4.464 ( 0.000 -0.506 0.000) 0.506 4.464 ( 0.000 0.506 0.000) 0.506 4.526 ( 0.000 -4.513 0.000) 4.513 4.526 ( 0.000 4.513 0.000) 4.513 4.753 ( 0.000 -0.984 0.000) 0.984 4.753 ( 0.000 0.984 0.000) 0.984 4.811 ( 0.000 -0.620 0.000) 0.620 4.811 ( 0.000 0.620 0.000) 0.620 5.006 ( 0.000 -0.127 0.000) 0.127 5.006 ( 0.000 0.127 0.000) 0.127 5.023 ( 0.000 -1.596 0.000) 1.596 5.023 ( 0.000 1.596 0.000) 1.596 5.147 ( 0.000 -0.040 0.000) 0.040 5.147 ( 0.000 0.040 0.000) 0.040 5.200 ( 0.000 -0.608 0.000) 0.608 5.200 ( 0.000 0.608 0.000) 0.608 5.264 ( 0.000 -0.560 0.000) 0.560 5.264 ( 0.000 0.560 0.000) 0.560 5.341 ( 0.000 -2.409 0.000) 2.409 5.341 ( 0.000 2.409 0.000) 2.409 5.446 ( 0.000 -0.506 0.000) 0.506 5.446 ( 0.000 0.506 0.000) 0.506 5.672 ( 0.000 -0.788 0.000) 0.788 5.672 ( 0.000 0.788 0.000) 0.788 5.744 ( 0.000 -1.510 0.000) 1.510 5.744 ( 0.000 1.510 0.000) 1.510 5.942 ( 0.000 -3.000 0.000) 3.000 5.942 ( 0.000 3.000 0.000) 3.000 6.075 ( 0.000 -8.029 0.000) 8.029 6.075 ( 0.000 8.029 0.000) 8.029 ======================= Grid point 23 (14/56) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 1.623 -8.893 -1.275) 9.130 1.097 ( 1.623 8.893 -1.275) 9.130 1.285 ( 0.443 -7.286 0.030) 7.300 1.285 ( 0.443 7.286 0.030) 7.300 1.427 ( 4.662 -6.353 2.161) 8.171 1.427 ( 4.662 6.353 2.161) 8.171 1.605 ( -1.127 -2.660 1.009) 3.060 1.605 ( -1.127 2.660 1.009) 3.060 1.690 ( 1.003 -7.121 -0.150) 7.192 1.690 ( 1.003 7.121 -0.150) 7.192 1.793 ( 1.595 -4.176 -3.334) 5.577 1.793 ( 1.595 4.176 -3.334) 5.577 1.864 ( 1.110 -1.919 0.103) 2.219 1.864 ( 1.110 1.919 0.103) 2.219 1.944 ( 2.187 -4.504 -1.729) 5.297 1.944 ( 2.187 4.504 -1.729) 5.297 1.974 ( -2.251 -3.884 0.474) 4.514 1.974 ( -2.251 3.884 0.474) 4.514 2.092 ( -2.190 -4.267 -0.341) 4.809 2.092 ( -2.190 4.267 -0.341) 4.809 2.205 ( 3.666 -1.483 2.314) 4.582 2.205 ( 3.666 1.483 2.314) 4.582 2.302 ( 4.036 -10.938 0.523) 11.671 2.302 ( 4.036 10.938 0.523) 11.671 2.370 ( 0.013 -5.954 0.390) 5.966 2.370 ( 0.013 5.954 0.390) 5.966 2.535 ( 0.107 -4.586 0.745) 4.647 2.535 ( 0.107 4.586 0.745) 4.647 2.708 ( -0.029 -2.562 -0.787) 2.681 2.708 ( -0.029 2.562 -0.787) 2.681 2.758 ( -0.148 -3.860 -0.602) 3.910 2.758 ( -0.148 3.860 -0.602) 3.910 2.943 ( -2.754 -2.576 0.718) 3.839 2.943 ( -2.754 2.576 0.718) 3.839 3.116 ( 0.595 -0.921 -0.261) 1.127 3.116 ( 0.595 0.921 -0.261) 1.127 3.157 ( 1.895 -1.541 -1.793) 3.030 3.157 ( 1.895 1.541 -1.793) 3.030 3.300 ( -1.525 -3.022 0.507) 3.423 3.300 ( -1.525 3.022 0.507) 3.423 3.393 ( 3.006 -2.012 1.692) 3.993 3.393 ( 3.006 2.012 1.692) 3.993 3.480 ( 0.584 -3.161 -0.799) 3.312 3.480 ( 0.584 3.161 -0.799) 3.312 3.586 ( 1.339 -0.715 -0.761) 1.698 3.586 ( 1.339 0.715 -0.761) 1.698 3.646 ( -0.517 -0.929 0.232) 1.088 3.646 ( -0.517 0.929 0.232) 1.088 3.785 ( -1.668 -1.304 0.212) 2.128 3.785 ( -1.668 1.304 0.212) 2.128 3.851 ( -0.718 -1.657 0.446) 1.860 3.851 ( -0.718 1.657 0.446) 1.860 3.940 ( 0.776 -0.225 1.500) 1.704 3.940 ( 0.776 0.225 1.500) 1.704 3.993 ( 0.898 -1.151 -1.469) 2.071 3.993 ( 0.898 1.151 -1.469) 2.071 4.044 ( 0.280 -1.784 0.573) 1.894 4.044 ( 0.280 1.784 0.573) 1.894 4.115 ( -0.236 -2.975 1.301) 3.256 4.115 ( -0.236 2.975 1.301) 3.256 4.255 ( -0.612 -1.260 -1.197) 1.843 4.255 ( -0.612 1.260 -1.197) 1.843 4.286 ( -1.953 -3.371 -2.718) 4.750 4.286 ( -1.953 3.371 -2.718) 4.750 4.395 ( -1.625 -1.266 0.008) 2.060 4.395 ( -1.625 1.266 0.008) 2.060 4.457 ( -0.469 -1.619 0.214) 1.699 4.457 ( -0.469 1.619 0.214) 1.699 4.546 ( 1.320 -4.434 3.168) 5.607 4.546 ( 1.320 4.434 3.168) 5.607 4.730 ( -2.590 -1.574 0.167) 3.035 4.730 ( -2.590 1.574 0.167) 3.035 4.807 ( -0.405 -0.916 -0.345) 1.059 4.807 ( -0.405 0.916 -0.345) 1.059 4.958 ( -4.591 -0.321 -0.744) 4.662 4.958 ( -4.591 0.321 -0.744) 4.662 4.990 ( -1.589 -2.039 -0.681) 2.673 4.990 ( -1.589 2.039 -0.681) 2.673 5.102 ( -3.261 -1.474 0.597) 3.628 5.102 ( -3.261 1.474 0.597) 3.628 5.162 ( -1.164 -2.182 -1.439) 2.861 5.162 ( -1.164 2.182 -1.439) 2.861 5.295 ( 1.390 -1.291 0.238) 1.912 5.295 ( 1.390 1.291 0.238) 1.912 5.353 ( -1.281 -0.900 2.279) 2.765 5.353 ( -1.281 0.900 2.279) 2.765 5.534 ( 3.745 -1.042 -2.205) 4.469 5.534 ( 3.745 1.042 -2.205) 4.469 5.595 ( 0.077 -1.054 0.004) 1.057 5.595 ( 0.077 1.054 0.004) 1.057 5.827 ( 3.759 -1.456 0.652) 4.084 5.827 ( 3.759 1.456 0.652) 4.084 5.936 ( -0.645 -3.504 0.815) 3.655 5.936 ( -0.645 3.504 0.815) 3.655 6.059 ( -0.685 -6.170 -0.723) 6.250 6.059 ( -0.685 6.170 -0.723) 6.250 ======================= Grid point 25 (15/56) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 2.467 -3.157 -1.680) 4.345 1.140 ( 2.467 3.157 -1.680) 4.345 1.287 ( 0.016 -3.613 0.595) 3.662 1.287 ( 0.016 3.613 0.595) 3.662 1.448 ( -2.313 -6.002 1.578) 6.623 1.448 ( -2.313 6.002 1.578) 6.623 1.619 ( 2.177 -1.823 0.111) 2.842 1.619 ( 2.177 1.823 0.111) 2.842 1.717 ( 1.546 -1.284 0.979) 2.236 1.717 ( 1.546 1.284 0.979) 2.236 1.799 ( -0.374 -3.052 -0.966) 3.223 1.799 ( -0.374 3.052 -0.966) 3.223 1.904 ( 2.067 -2.053 -1.571) 3.310 1.904 ( 2.067 2.053 -1.571) 3.310 1.942 ( -1.022 -6.666 -0.892) 6.803 1.942 ( -1.022 6.666 -0.892) 6.803 2.001 ( 1.432 -5.433 -3.095) 6.415 2.001 ( 1.432 5.433 -3.095) 6.415 2.089 ( 3.238 -3.772 3.724) 6.211 2.089 ( 3.238 3.772 3.724) 6.211 2.255 ( 1.521 -1.016 0.127) 1.833 2.255 ( 1.521 1.016 0.127) 1.833 2.326 ( -1.374 -1.576 -0.436) 2.136 2.326 ( -1.374 1.576 -0.436) 2.136 2.410 ( 3.193 -1.928 1.241) 3.930 2.410 ( 3.193 1.928 1.241) 3.930 2.556 ( 2.510 -1.922 1.152) 3.365 2.556 ( 2.510 1.922 1.152) 3.365 2.696 ( -1.226 -2.048 -0.539) 2.448 2.696 ( -1.226 2.048 -0.539) 2.448 2.779 ( 2.032 -2.718 0.111) 3.395 2.779 ( 2.032 2.718 0.111) 3.395 2.895 ( -1.977 -1.606 -0.193) 2.555 2.895 ( -1.977 1.606 -0.193) 2.555 3.126 ( 0.447 -2.307 -1.094) 2.592 3.126 ( 0.447 2.307 -1.094) 2.592 3.185 ( 0.813 -0.427 -0.421) 1.010 3.185 ( 0.813 0.427 -0.421) 1.010 3.264 ( -1.842 -3.156 -0.243) 3.662 3.264 ( -1.842 3.156 -0.243) 3.662 3.452 ( 2.339 -2.349 0.999) 3.463 3.452 ( 2.339 2.349 0.999) 3.463 3.497 ( 1.267 -3.020 0.435) 3.303 3.497 ( 1.267 3.020 0.435) 3.303 3.594 ( -0.790 -0.577 -1.465) 1.762 3.594 ( -0.790 0.577 -1.465) 1.762 3.645 ( 0.482 -0.331 0.005) 0.585 3.645 ( 0.482 0.331 0.005) 0.585 3.753 ( -1.239 -1.028 1.143) 1.974 3.753 ( -1.239 1.028 1.143) 1.974 3.836 ( -1.095 -0.555 0.130) 1.234 3.836 ( -1.095 0.555 0.130) 1.234 3.950 ( 0.191 -1.930 0.145) 1.945 3.950 ( 0.191 1.930 0.145) 1.945 4.008 ( 0.028 -1.178 0.626) 1.334 4.008 ( 0.028 1.178 0.626) 1.334 4.033 ( -0.230 -1.745 0.469) 1.821 4.033 ( -0.230 1.745 0.469) 1.821 4.132 ( 1.856 -3.721 1.570) 4.445 4.132 ( 1.856 3.721 1.570) 4.445 4.237 ( -2.234 -1.003 -4.491) 5.115 4.237 ( -2.234 1.003 -4.491) 5.115 4.258 ( 0.020 -4.534 0.138) 4.536 4.258 ( 0.020 4.534 0.138) 4.536 4.363 ( -1.352 -0.984 -0.601) 1.777 4.363 ( -1.352 0.984 -0.601) 1.777 4.452 ( 0.040 -1.892 0.694) 2.016 4.452 ( 0.040 1.892 0.694) 2.016 4.558 ( -0.010 -3.272 3.489) 4.784 4.558 ( -0.010 3.272 3.489) 4.784 4.662 ( -3.776 -2.005 -1.289) 4.465 4.662 ( -3.776 2.005 -1.289) 4.465 4.802 ( 0.014 -1.370 0.940) 1.661 4.802 ( 0.014 1.370 0.940) 1.661 4.898 ( -1.689 -1.402 -1.256) 2.529 4.898 ( -1.689 1.402 -1.256) 2.529 4.959 ( -1.124 -3.465 -0.036) 3.643 4.959 ( -1.124 3.465 -0.036) 3.643 5.064 ( -0.971 -2.508 0.466) 2.730 5.064 ( -0.971 2.508 0.466) 2.730 5.126 ( -2.212 -0.935 -1.537) 2.852 5.126 ( -2.212 0.935 -1.537) 2.852 5.297 ( -2.019 -1.567 0.251) 2.568 5.297 ( -2.019 1.567 0.251) 2.568 5.344 ( 1.737 -2.806 0.527) 3.342 5.344 ( 1.737 2.806 0.527) 3.342 5.487 ( -2.607 -0.995 -0.285) 2.805 5.487 ( -2.607 0.995 -0.285) 2.805 5.696 ( 3.037 -2.655 -0.387) 4.053 5.696 ( 3.037 2.655 -0.387) 4.053 5.846 ( -1.049 -1.275 0.671) 1.782 5.846 ( -1.049 1.275 0.671) 1.782 5.935 ( 1.453 -1.622 0.319) 2.201 5.935 ( 1.453 1.622 0.319) 2.201 6.076 ( 1.702 -2.876 -0.470) 3.375 6.076 ( 1.702 2.876 -0.470) 3.375 ======================= Grid point 27 (16/56) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 0.000 -4.252 0.000) 4.252 1.169 ( 0.000 4.252 -0.000) 4.252 1.290 ( 0.000 -8.092 0.000) 8.092 1.290 ( 0.000 8.092 0.000) 8.092 1.411 ( 0.000 -6.244 -0.000) 6.244 1.411 ( 0.000 6.244 -0.000) 6.244 1.645 ( 0.000 -3.589 -0.000) 3.589 1.645 ( 0.000 3.589 0.000) 3.589 1.732 ( 0.000 -10.730 0.000) 10.730 1.732 ( 0.000 10.730 0.000) 10.730 1.797 ( 0.000 -1.053 -0.000) 1.053 1.797 ( 0.000 1.053 -0.000) 1.053 1.922 ( 0.000 -6.342 -0.000) 6.342 1.922 ( 0.000 6.342 0.000) 6.342 1.936 ( 0.000 -5.617 -0.000) 5.617 1.936 ( 0.000 5.617 -0.000) 5.617 2.005 ( 0.000 -5.661 0.000) 5.661 2.005 ( 0.000 5.661 0.000) 5.661 2.141 ( 0.000 -3.150 -0.000) 3.150 2.141 ( 0.000 3.150 -0.000) 3.150 2.269 ( 0.000 -1.512 -0.000) 1.512 2.269 ( 0.000 1.512 -0.000) 1.512 2.305 ( 0.000 -0.594 0.000) 0.594 2.305 ( 0.000 0.594 0.000) 0.594 2.441 ( 0.000 -0.388 0.000) 0.388 2.441 ( 0.000 0.388 0.000) 0.388 2.600 ( 0.000 -2.594 -0.000) 2.594 2.600 ( 0.000 2.594 0.000) 2.594 2.675 ( 0.000 -0.727 -0.000) 0.727 2.675 ( 0.000 0.727 0.000) 0.727 2.802 ( 0.000 -2.921 0.000) 2.921 2.802 ( 0.000 2.921 0.000) 2.921 2.878 ( 0.000 -1.197 -0.000) 1.197 2.878 ( 0.000 1.197 0.000) 1.197 3.132 ( 0.000 -2.412 -0.000) 2.412 3.132 ( 0.000 2.412 -0.000) 2.412 3.187 ( 0.000 -3.529 0.000) 3.529 3.187 ( 0.000 3.529 -0.000) 3.529 3.246 ( 0.000 -0.993 -0.000) 0.993 3.246 ( 0.000 0.993 -0.000) 0.993 3.473 ( 0.000 -2.474 0.000) 2.474 3.473 ( 0.000 2.474 0.000) 2.474 3.514 ( 0.000 -4.084 0.000) 4.084 3.514 ( 0.000 4.084 -0.000) 4.084 3.580 ( 0.000 -0.646 0.000) 0.646 3.580 ( 0.000 0.646 0.000) 0.646 3.652 ( 0.000 -0.270 -0.000) 0.270 3.652 ( 0.000 0.270 0.000) 0.270 3.742 ( 0.000 -1.086 -0.000) 1.086 3.742 ( 0.000 1.086 -0.000) 1.086 3.819 ( 0.000 -0.453 0.000) 0.453 3.819 ( 0.000 0.453 0.000) 0.453 3.951 ( 0.000 -2.988 0.000) 2.988 3.951 ( 0.000 2.988 0.000) 2.988 3.999 ( 0.000 -0.016 0.000) 0.016 3.999 ( 0.000 0.016 0.000) 0.016 4.042 ( 0.000 -1.755 -0.000) 1.755 4.042 ( 0.000 1.755 -0.000) 1.755 4.163 ( 0.000 -1.655 0.000) 1.655 4.163 ( 0.000 1.655 0.000) 1.655 4.200 ( -0.000 -3.782 -0.000) 3.782 4.200 ( 0.000 3.782 -0.000) 3.782 4.263 ( 0.000 -3.596 -0.000) 3.596 4.263 ( 0.000 3.596 -0.000) 3.596 4.349 ( 0.000 -1.128 0.000) 1.128 4.349 ( 0.000 1.128 -0.000) 1.128 4.454 ( 0.000 -1.616 -0.000) 1.616 4.454 ( 0.000 1.616 0.000) 1.616 4.559 ( 0.000 -1.794 0.000) 1.794 4.559 ( 0.000 1.794 0.000) 1.794 4.616 ( 0.000 -0.594 -0.000) 0.594 4.616 ( 0.000 0.594 -0.000) 0.594 4.803 ( 0.000 -1.402 -0.000) 1.402 4.803 ( 0.000 1.402 -0.000) 1.402 4.884 ( 0.000 -1.592 -0.000) 1.592 4.884 ( 0.000 1.592 0.000) 1.592 4.952 ( 0.000 -3.374 0.000) 3.374 4.952 ( 0.000 3.374 -0.000) 3.374 5.053 ( 0.000 -3.222 -0.000) 3.222 5.053 ( 0.000 3.222 -0.000) 3.222 5.102 ( 0.000 -0.874 0.000) 0.874 5.102 ( 0.000 0.874 0.000) 0.874 5.272 ( 0.000 -1.462 -0.000) 1.462 5.272 ( 0.000 1.463 -0.000) 1.463 5.367 ( 0.000 -2.590 -0.000) 2.590 5.367 ( 0.000 2.590 -0.000) 2.590 5.463 ( 0.000 -1.202 -0.000) 1.202 5.463 ( 0.000 1.202 -0.000) 1.202 5.706 ( 0.000 -1.913 -0.000) 1.913 5.706 ( 0.000 1.913 -0.000) 1.913 5.834 ( 0.000 -2.500 0.000) 2.500 5.834 ( 0.000 2.500 -0.000) 2.500 5.961 ( -0.000 -0.065 -0.000) 0.065 5.961 ( 0.000 0.065 0.000) 0.065 6.094 ( 0.000 -2.426 -0.000) 2.426 6.094 ( 0.000 2.426 -0.000) 2.426 ======================= Grid point 49 (17/56) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -0.037 0.000 19.048) 19.048 0.401 ( -0.220 0.000 19.722) 19.724 0.603 ( -0.076 0.000 27.720) 27.720 1.142 ( 3.088 0.000 -15.187) 15.498 1.155 ( -0.351 0.000 -13.674) 13.678 1.408 ( -1.333 0.000 3.775) 4.004 1.448 ( -2.439 0.000 -2.284) 3.341 1.491 ( -5.572 0.000 6.714) 8.725 1.633 ( 0.579 0.000 -2.976) 3.032 1.730 ( -0.975 0.000 4.965) 5.060 1.806 ( 0.931 0.000 8.009) 8.063 1.816 ( 0.664 0.000 2.206) 2.304 1.827 ( 1.740 0.000 -2.556) 3.092 1.900 ( 4.139 0.000 -3.375) 5.340 1.914 ( 0.763 0.000 -4.913) 4.972 1.973 ( 0.789 0.000 -1.666) 1.843 2.064 ( 3.693 0.000 -2.925) 4.711 2.111 ( -1.181 0.000 -6.096) 6.210 2.133 ( 1.445 0.000 -4.724) 4.940 2.226 ( 1.878 0.000 2.611) 3.216 2.247 ( -2.624 0.000 0.727) 2.723 2.323 ( -2.731 0.000 -1.480) 3.106 2.365 ( -5.564 0.000 0.719) 5.610 2.391 ( -2.836 0.000 -7.399) 7.924 2.579 ( 1.782 0.000 -2.307) 2.915 2.582 ( 0.403 0.000 -2.868) 2.896 2.596 ( -1.469 0.000 4.830) 5.048 2.661 ( 0.994 0.000 0.889) 1.334 2.704 ( 3.248 0.000 2.811) 4.295 2.706 ( 2.327 0.000 -0.575) 2.397 2.747 ( 0.538 0.000 1.981) 2.053 2.867 ( -4.462 0.000 -1.497) 4.706 2.920 ( -3.054 0.000 2.665) 4.053 2.927 ( -0.553 0.000 -1.091) 1.223 2.936 ( -0.443 0.000 -0.342) 0.560 3.026 ( -3.413 0.000 6.106) 6.995 3.076 ( 0.249 0.000 -3.718) 3.726 3.130 ( -0.068 0.000 0.990) 0.992 3.186 ( 1.587 0.000 3.150) 3.527 3.345 ( 0.330 0.000 -3.112) 3.129 3.482 ( 3.111 0.000 2.230) 3.828 3.505 ( -2.832 0.000 0.020) 2.832 3.523 ( -0.777 0.000 3.917) 3.994 3.569 ( 0.210 0.000 -0.487) 0.530 3.590 ( 0.897 0.000 1.160) 1.466 3.643 ( -0.489 0.000 2.779) 2.822 3.684 ( -0.056 0.000 0.135) 0.146 3.705 ( 4.010 0.000 0.686) 4.068 3.770 ( 0.256 0.000 -1.977) 1.993 3.790 ( -1.368 0.000 0.057) 1.369 3.792 ( 1.110 0.000 -2.742) 2.958 3.885 ( 0.945 0.000 -1.572) 1.834 3.895 ( -0.368 0.000 0.817) 0.895 3.916 ( 0.030 0.000 -0.622) 0.622 3.951 ( 1.565 0.000 0.128) 1.571 3.981 ( 1.288 0.000 3.022) 3.285 4.016 ( -0.491 0.000 -3.394) 3.429 4.071 ( -0.909 0.000 0.442) 1.011 4.158 ( 1.334 0.000 2.806) 3.107 4.160 ( -2.099 0.000 0.681) 2.207 4.190 ( -0.719 0.000 -4.305) 4.365 4.323 ( -1.187 0.000 0.501) 1.289 4.349 ( -1.297 0.000 -1.657) 2.105 4.388 ( 1.901 0.000 -1.245) 2.273 4.415 ( 1.666 0.000 4.397) 4.702 4.453 ( -1.510 0.000 -2.786) 3.169 4.470 ( -1.877 0.000 -2.053) 2.781 4.564 ( -0.301 0.000 -1.094) 1.135 4.570 ( -3.622 0.000 -1.833) 4.060 4.572 ( 0.905 0.000 -2.770) 2.914 4.672 ( 4.740 0.000 1.112) 4.869 4.678 ( -1.473 0.000 0.911) 1.732 4.734 ( 2.998 0.000 3.405) 4.537 4.761 ( 0.304 0.000 6.409) 6.416 4.861 ( -0.447 0.000 0.982) 1.079 4.905 ( -1.197 0.000 -0.121) 1.203 4.976 ( 3.734 0.000 -2.230) 4.349 5.082 ( -0.243 0.000 -2.688) 2.699 5.088 ( -1.490 0.000 2.194) 2.652 5.120 ( 2.518 0.000 0.047) 2.518 5.126 ( -0.345 0.000 1.477) 1.517 5.185 ( -8.490 0.000 1.273) 8.585 5.269 ( 10.631 0.000 -3.196) 11.101 5.274 ( 5.264 0.000 -2.410) 5.790 5.364 ( -8.488 0.000 1.311) 8.589 5.439 ( 9.245 0.000 -3.101) 9.751 5.500 ( -0.101 0.000 1.231) 1.235 5.543 ( -1.031 0.000 0.077) 1.033 5.634 ( -0.066 0.000 1.795) 1.796 5.671 ( -0.725 0.000 -0.660) 0.980 5.703 ( 0.915 0.000 2.417) 2.584 5.846 ( -4.617 0.000 -0.631) 4.660 5.863 ( 1.113 0.000 0.418) 1.189 5.912 ( -1.578 0.000 -3.258) 3.621 6.049 ( 1.057 0.000 0.989) 1.448 6.072 ( -5.500 0.000 0.383) 5.513 ======================= Grid point 50 (18/56) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( 10.308 0.000 10.048) 14.395 0.558 ( 14.846 0.000 12.020) 19.102 0.971 ( 26.215 0.000 17.655) 31.605 1.109 ( -4.001 0.000 -12.542) 13.165 1.183 ( 3.260 0.000 -11.256) 11.718 1.372 ( -2.824 0.000 1.803) 3.350 1.378 ( -4.399 0.000 1.539) 4.661 1.568 ( 10.999 0.000 1.045) 11.049 1.602 ( -3.861 0.000 -5.924) 7.071 1.695 ( -2.545 0.000 5.410) 5.979 1.819 ( -1.105 0.000 4.476) 4.610 1.840 ( -3.034 0.000 1.186) 3.258 1.893 ( 6.772 0.000 4.690) 8.238 1.929 ( -0.310 0.000 4.322) 4.333 1.951 ( 5.522 0.000 -4.840) 7.343 2.039 ( -1.070 0.000 -6.472) 6.559 2.043 ( 5.550 0.000 -5.465) 7.789 2.086 ( -4.823 0.000 -1.133) 4.954 2.179 ( 1.866 0.000 -3.825) 4.256 2.187 ( -2.776 0.000 5.079) 5.789 2.261 ( -1.831 0.000 -3.908) 4.316 2.304 ( 6.472 0.000 1.515) 6.647 2.336 ( 0.281 0.000 -1.205) 1.238 2.353 ( -0.190 0.000 -10.214) 10.216 2.545 ( -2.662 0.000 2.708) 3.798 2.610 ( 1.132 0.000 -1.075) 1.561 2.614 ( 2.224 0.000 0.797) 2.362 2.702 ( 2.668 0.000 1.151) 2.906 2.737 ( -0.387 0.000 -1.381) 1.435 2.760 ( 3.286 0.000 1.934) 3.813 2.776 ( -1.245 0.000 -1.729) 2.131 2.796 ( 3.642 0.000 3.117) 4.793 2.876 ( -1.943 0.000 3.919) 4.374 2.920 ( -0.252 0.000 -0.828) 0.866 2.931 ( -0.975 0.000 -0.678) 1.188 3.004 ( 0.658 0.000 4.535) 4.582 3.051 ( -2.693 0.000 -1.411) 3.040 3.137 ( 1.001 0.000 -1.281) 1.626 3.221 ( 1.443 0.000 3.919) 4.177 3.310 ( -4.056 0.000 -3.531) 5.378 3.422 ( -5.507 0.000 -2.123) 5.902 3.483 ( -2.487 0.000 3.115) 3.987 3.518 ( -0.059 0.000 3.390) 3.390 3.565 ( -0.475 0.000 -1.181) 1.273 3.614 ( 1.956 0.000 0.246) 1.971 3.629 ( -0.984 0.000 4.660) 4.763 3.670 ( -1.533 0.000 0.717) 1.692 3.727 ( -1.669 0.000 -2.128) 2.704 3.767 ( -0.623 0.000 -2.680) 2.752 3.772 ( -0.307 0.000 0.357) 0.471 3.810 ( 0.446 0.000 -0.955) 1.054 3.889 ( -0.660 0.000 1.085) 1.270 3.889 ( -0.648 0.000 -0.361) 0.742 3.908 ( 0.015 0.000 -1.514) 1.514 3.956 ( -0.999 0.000 -0.381) 1.069 4.013 ( 0.253 0.000 2.912) 2.923 4.046 ( 0.281 0.000 0.730) 0.782 4.066 ( 3.030 0.000 -5.198) 6.017 4.081 ( -4.549 0.000 4.838) 6.641 4.155 ( -1.234 0.000 2.044) 2.388 4.176 ( -0.274 0.000 -4.560) 4.568 4.287 ( -1.522 0.000 4.365) 4.623 4.291 ( -3.822 0.000 -1.864) 4.252 4.389 ( -1.067 0.000 -0.027) 1.067 4.397 ( -3.223 0.000 -1.344) 3.491 4.419 ( -1.265 0.000 -2.850) 3.118 4.477 ( 2.200 0.000 3.190) 3.875 4.531 ( -1.225 0.000 1.006) 1.586 4.555 ( -0.318 0.000 -1.397) 1.433 4.583 ( 0.589 0.000 -1.319) 1.445 4.651 ( -1.242 0.000 -0.811) 1.484 4.681 ( 1.747 0.000 2.595) 3.128 4.763 ( -0.082 0.000 6.650) 6.650 4.780 ( -1.067 0.000 1.432) 1.786 4.859 ( 0.162 0.000 -1.386) 1.395 4.880 ( -1.291 0.000 0.195) 1.306 5.013 ( -4.568 0.000 1.444) 4.790 5.034 ( 0.957 0.000 0.119) 0.964 5.035 ( -4.187 0.000 1.443) 4.429 5.081 ( -0.611 0.000 -1.425) 1.550 5.103 ( -2.072 0.000 0.468) 2.124 5.193 ( 4.107 0.000 -0.439) 4.130 5.234 ( -2.251 0.000 -2.030) 3.031 5.316 ( -2.050 0.000 -4.244) 4.713 5.363 ( 0.223 0.000 -0.815) 0.845 5.464 ( -5.969 0.000 1.695) 6.205 5.490 ( 0.460 0.000 1.190) 1.276 5.556 ( -1.859 0.000 -0.094) 1.861 5.610 ( -2.406 0.000 1.042) 2.621 5.630 ( -0.204 0.000 -0.782) 0.808 5.742 ( 4.430 0.000 3.278) 5.511 5.894 ( 1.316 0.000 -0.782) 1.531 5.943 ( 7.541 0.000 -4.768) 8.922 5.949 ( 5.446 0.000 0.806) 5.506 6.042 ( -1.280 0.000 2.765) 3.047 6.132 ( 7.918 0.000 -7.413) 10.846 ======================= Grid point 51 (19/56) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 16.247 0.000 -0.567) 16.257 0.858 ( 14.245 0.000 4.238) 14.862 1.043 ( -2.445 0.000 -3.876) 4.583 1.244 ( 0.567 0.000 -2.698) 2.757 1.303 ( -1.247 0.000 -7.992) 8.088 1.338 ( 3.649 0.000 -7.989) 8.783 1.357 ( 0.108 0.000 4.329) 4.330 1.580 ( 5.003 0.000 2.146) 5.444 1.655 ( 3.114 0.000 5.575) 6.386 1.710 ( -9.950 0.000 1.409) 10.049 1.748 ( 6.244 0.000 4.401) 7.639 1.785 ( -1.920 0.000 3.273) 3.795 1.902 ( -0.845 0.000 7.055) 7.106 1.998 ( 1.163 0.000 -8.559) 8.638 2.027 ( 4.413 0.000 5.564) 7.101 2.077 ( -0.893 0.000 1.726) 1.944 2.093 ( 6.212 0.000 1.396) 6.367 2.132 ( 1.141 0.000 1.260) 1.700 2.144 ( 2.721 0.000 -4.750) 5.474 2.200 ( 0.466 0.000 -1.209) 1.296 2.215 ( -1.514 0.000 -1.071) 1.855 2.350 ( 1.057 0.000 -3.781) 3.926 2.360 ( 0.408 0.000 -11.418) 11.425 2.469 ( 9.282 0.000 -0.529) 9.297 2.506 ( -1.472 0.000 4.223) 4.472 2.640 ( -0.113 0.000 3.645) 3.647 2.661 ( 4.862 0.000 -2.122) 5.305 2.690 ( -3.465 0.000 -1.825) 3.917 2.750 ( -0.229 0.000 2.399) 2.410 2.773 ( 1.276 0.000 -0.739) 1.475 2.822 ( 2.081 0.000 1.718) 2.698 2.853 ( -0.075 0.000 0.513) 0.518 2.862 ( 2.847 0.000 1.066) 3.040 2.914 ( -0.492 0.000 -1.761) 1.828 2.922 ( 0.877 0.000 0.055) 0.879 2.997 ( -2.365 0.000 -1.553) 2.829 3.033 ( 1.752 0.000 1.723) 2.457 3.155 ( 0.774 0.000 -1.154) 1.390 3.195 ( -7.381 0.000 -2.979) 7.959 3.239 ( 1.107 0.000 2.783) 2.995 3.298 ( -7.435 0.000 -4.571) 8.728 3.392 ( -6.084 0.000 4.504) 7.570 3.521 ( 0.328 0.000 1.039) 1.089 3.559 ( -0.185 0.000 -1.230) 1.244 3.606 ( -1.100 0.000 4.690) 4.817 3.624 ( -2.687 0.000 2.434) 3.625 3.663 ( 1.954 0.000 0.612) 2.048 3.693 ( -0.948 0.000 -0.428) 1.041 3.751 ( -0.821 0.000 -2.766) 2.885 3.766 ( -0.113 0.000 0.596) 0.606 3.803 ( -0.876 0.000 -0.464) 0.991 3.858 ( -1.395 0.000 2.937) 3.251 3.882 ( 0.185 0.000 -3.375) 3.380 3.918 ( 0.577 0.000 1.022) 1.174 3.953 ( 0.964 0.000 1.278) 1.601 3.991 ( -2.200 0.000 1.963) 2.948 4.008 ( -3.146 0.000 4.497) 5.488 4.043 ( 0.250 0.000 0.691) 0.735 4.113 ( 0.588 0.000 -5.721) 5.751 4.128 ( -1.452 0.000 2.227) 2.659 4.208 ( 2.171 0.000 -5.228) 5.661 4.225 ( -1.688 0.000 -2.932) 3.383 4.285 ( 0.679 0.000 4.621) 4.670 4.343 ( -2.562 0.000 0.229) 2.573 4.364 ( -1.898 0.000 -3.072) 3.611 4.390 ( -0.619 0.000 -1.808) 1.911 4.499 ( -1.614 0.000 0.546) 1.704 4.503 ( 0.504 0.000 3.606) 3.641 4.564 ( 0.814 0.000 -2.647) 2.769 4.597 ( 0.667 0.000 0.591) 0.891 4.625 ( -1.477 0.000 -0.323) 1.512 4.729 ( 2.372 0.000 0.721) 2.480 4.749 ( -1.391 0.000 0.102) 1.395 4.757 ( -0.787 0.000 6.661) 6.708 4.864 ( -0.217 0.000 -0.050) 0.222 4.871 ( 1.311 0.000 0.541) 1.418 4.918 ( -3.977 0.000 3.108) 5.047 4.980 ( -1.916 0.000 0.541) 1.991 5.039 ( -0.921 0.000 -0.112) 0.927 5.066 ( -0.958 0.000 0.020) 0.958 5.081 ( 0.261 0.000 -1.941) 1.958 5.224 ( -3.199 0.000 2.870) 4.298 5.244 ( 2.289 0.000 -3.982) 4.593 5.288 ( 1.665 0.000 -1.182) 2.042 5.328 ( -2.556 0.000 1.913) 3.192 5.351 ( -4.717 0.000 -4.585) 6.578 5.511 ( 1.159 0.000 0.636) 1.322 5.536 ( -0.326 0.000 -0.480) 0.580 5.554 ( -2.729 0.000 1.627) 3.177 5.617 ( -0.749 0.000 -0.107) 0.757 5.845 ( 4.285 0.000 1.105) 4.425 5.909 ( 0.726 0.000 -1.240) 1.437 5.981 ( -0.954 0.000 1.911) 2.136 6.063 ( 2.521 0.000 4.111) 4.822 6.071 ( 5.029 0.000 -3.679) 6.231 6.255 ( 4.405 0.000 -7.062) 8.323 ======================= Grid point 52 (20/56) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( -2.724 0.000 -5.106) 5.787 0.987 ( 4.646 0.000 2.840) 5.445 1.077 ( 0.423 0.000 4.193) 4.214 1.113 ( -3.360 0.000 -12.334) 12.783 1.347 ( 4.711 0.000 -8.667) 9.865 1.372 ( -0.008 0.000 -7.027) 7.027 1.391 ( 4.854 0.000 5.158) 7.083 1.540 ( -4.331 0.000 0.767) 4.398 1.557 ( -0.411 0.000 0.859) 0.952 1.755 ( -2.652 0.000 -3.513) 4.402 1.792 ( -1.976 0.000 7.789) 8.036 1.814 ( 3.354 0.000 7.202) 7.945 1.895 ( 0.777 0.000 5.404) 5.460 1.992 ( -6.163 0.000 -0.096) 6.164 2.018 ( -2.574 0.000 1.130) 2.811 2.050 ( -5.552 0.000 1.927) 5.877 2.109 ( 0.743 0.000 0.258) 0.787 2.180 ( 1.529 0.000 3.276) 3.615 2.206 ( 0.265 0.000 -1.677) 1.698 2.216 ( 6.779 0.000 1.749) 7.001 2.305 ( 6.519 0.000 -0.464) 6.536 2.357 ( -0.141 0.000 -11.283) 11.284 2.366 ( 0.784 0.000 -3.575) 3.660 2.483 ( -1.033 0.000 5.250) 5.351 2.575 ( -1.641 0.000 -0.955) 1.898 2.617 ( -0.737 0.000 0.937) 1.192 2.649 ( 0.839 0.000 -2.503) 2.640 2.696 ( -2.791 0.000 5.033) 5.755 2.758 ( 2.959 0.000 -1.146) 3.173 2.816 ( -2.579 0.000 0.339) 2.601 2.833 ( 3.242 0.000 -3.048) 4.450 2.853 ( -3.624 0.000 1.397) 3.884 2.879 ( 2.384 0.000 0.070) 2.385 2.908 ( -0.295 0.000 -3.800) 3.811 2.956 ( 1.378 0.000 1.370) 1.943 3.000 ( 3.157 0.000 -2.228) 3.864 3.037 ( -0.575 0.000 0.946) 1.107 3.101 ( -0.278 0.000 0.756) 0.805 3.153 ( -3.678 0.000 -3.136) 4.833 3.160 ( -3.145 0.000 -3.518) 4.719 3.300 ( -2.611 0.000 1.977) 3.275 3.308 ( 6.483 0.000 1.608) 6.679 3.525 ( 0.036 0.000 1.255) 1.255 3.549 ( -0.770 0.000 -0.351) 0.846 3.592 ( -0.369 0.000 3.958) 3.975 3.598 ( 0.224 0.000 2.401) 2.411 3.655 ( -0.806 0.000 3.176) 3.277 3.696 ( -0.508 0.000 -0.981) 1.105 3.743 ( 0.088 0.000 -2.436) 2.438 3.781 ( 1.345 0.000 0.544) 1.450 3.784 ( -1.037 0.000 -1.570) 1.882 3.869 ( 1.583 0.000 4.155) 4.447 3.894 ( 0.829 0.000 -3.988) 4.073 3.916 ( -0.936 0.000 0.982) 1.357 3.936 ( -2.013 0.000 0.965) 2.232 3.954 ( -0.755 0.000 1.838) 1.987 3.997 ( 1.336 0.000 4.084) 4.297 4.049 ( 0.015 0.000 0.756) 0.756 4.111 ( 0.031 0.000 1.690) 1.690 4.121 ( 0.827 0.000 -4.035) 4.119 4.198 ( 0.877 0.000 -0.673) 1.105 4.238 ( -1.210 0.000 -7.887) 7.979 4.287 ( -0.683 0.000 5.826) 5.866 4.312 ( -0.406 0.000 -0.760) 0.861 4.331 ( -0.876 0.000 -4.367) 4.454 4.403 ( 1.233 0.000 -2.118) 2.451 4.481 ( -0.126 0.000 0.573) 0.586 4.501 ( -0.540 0.000 1.819) 1.898 4.578 ( 0.571 0.000 -2.555) 2.618 4.583 ( -1.617 0.000 -0.572) 1.715 4.635 ( 2.702 0.000 3.434) 4.370 4.722 ( -1.186 0.000 -1.096) 1.615 4.737 ( -1.068 0.000 5.014) 5.126 4.773 ( 1.973 0.000 2.239) 2.984 4.839 ( -2.355 0.000 2.329) 3.312 4.898 ( 1.462 0.000 2.111) 2.567 4.901 ( 0.936 0.000 0.835) 1.254 4.960 ( 0.102 0.000 -1.794) 1.797 5.023 ( -0.243 0.000 -0.104) 0.264 5.072 ( 1.404 0.000 0.403) 1.460 5.080 ( -0.688 0.000 -1.078) 1.279 5.142 ( -3.644 0.000 3.524) 5.069 5.272 ( -2.954 0.000 1.436) 3.284 5.277 ( -1.558 0.000 -6.869) 7.043 5.307 ( 3.945 0.000 -2.311) 4.572 5.344 ( 1.756 0.000 -0.923) 1.984 5.497 ( -1.387 0.000 0.981) 1.699 5.545 ( 1.419 0.000 -0.050) 1.419 5.558 ( 1.805 0.000 1.169) 2.151 5.605 ( -0.670 0.000 -0.970) 1.179 5.871 ( -0.028 0.000 0.872) 0.873 5.920 ( 0.417 0.000 -0.972) 1.058 5.982 ( -0.497 0.000 1.879) 1.943 6.076 ( -1.189 0.000 4.106) 4.275 6.125 ( 0.456 0.000 -3.891) 3.917 6.304 ( 0.920 0.000 -5.073) 5.155 ======================= Grid point 54 (21/56) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( -16.328 0.000 1.941) 16.443 0.837 ( -11.694 0.000 1.487) 11.788 0.995 ( -2.064 0.000 -3.227) 3.831 1.267 ( 0.794 0.000 -9.631) 9.664 1.325 ( -1.284 0.000 -6.527) 6.652 1.407 ( 2.316 0.000 -0.479) 2.365 1.512 ( 5.006 0.000 0.796) 5.069 1.534 ( -12.468 0.000 2.034) 12.633 1.614 ( 8.474 0.000 1.039) 8.537 1.638 ( 3.187 0.000 8.491) 9.070 1.707 ( -4.994 0.000 6.872) 8.495 1.832 ( -0.371 0.000 0.356) 0.515 1.877 ( -3.070 0.000 -3.005) 4.296 1.919 ( 0.834 0.000 3.673) 3.766 1.938 ( -6.410 0.000 2.672) 6.944 1.994 ( 0.896 0.000 1.215) 1.510 2.058 ( -4.103 0.000 -0.251) 4.111 2.147 ( -6.031 0.000 -2.251) 6.437 2.189 ( -2.458 0.000 -2.906) 3.806 2.276 ( -1.239 0.000 -0.104) 1.243 2.352 ( -0.991 0.000 -10.555) 10.602 2.388 ( 1.964 0.000 -1.107) 2.254 2.414 ( 3.959 0.000 4.399) 5.918 2.476 ( 0.772 0.000 1.343) 1.549 2.511 ( -4.401 0.000 -7.439) 8.643 2.587 ( -0.642 0.000 0.358) 0.735 2.648 ( 0.542 0.000 1.918) 1.994 2.707 ( 0.073 0.000 2.737) 2.738 2.732 ( -4.408 0.000 0.561) 4.443 2.747 ( -5.973 0.000 -0.352) 5.983 2.766 ( -1.907 0.000 -0.642) 2.012 2.823 ( -1.208 0.000 0.885) 1.497 2.917 ( 1.315 0.000 0.465) 1.394 2.929 ( 1.493 0.000 -1.844) 2.373 2.982 ( 0.769 0.000 2.170) 2.303 3.043 ( 0.547 0.000 0.328) 0.638 3.112 ( 0.645 0.000 3.234) 3.298 3.117 ( 0.612 0.000 -4.145) 4.190 3.141 ( 0.486 0.000 -1.663) 1.733 3.148 ( 9.863 0.000 -2.406) 10.152 3.302 ( 2.452 0.000 0.011) 2.452 3.445 ( 6.191 0.000 2.137) 6.549 3.529 ( 0.561 0.000 4.373) 4.409 3.546 ( 0.479 0.000 -0.908) 1.027 3.584 ( -0.331 0.000 1.990) 2.017 3.621 ( 2.113 0.000 1.748) 2.742 3.659 ( -1.642 0.000 2.420) 2.924 3.663 ( -0.088 0.000 0.237) 0.253 3.752 ( 0.691 0.000 -1.796) 1.925 3.769 ( -0.333 0.000 -2.973) 2.991 3.801 ( 0.610 0.000 1.358) 1.488 3.890 ( 1.267 0.000 1.985) 2.355 3.891 ( -1.040 0.000 -1.919) 2.183 3.905 ( -0.031 0.000 -1.441) 1.441 3.926 ( -0.005 0.000 3.350) 3.350 3.957 ( 0.960 0.000 0.986) 1.377 4.029 ( 2.222 0.000 3.174) 3.875 4.048 ( 0.102 0.000 1.300) 1.304 4.132 ( 1.485 0.000 -0.060) 1.486 4.137 ( -0.319 0.000 -3.057) 3.074 4.196 ( -1.577 0.000 -6.112) 6.312 4.242 ( 3.152 0.000 -1.318) 3.416 4.281 ( 1.041 0.000 7.149) 7.225 4.319 ( 0.920 0.000 -0.183) 0.938 4.334 ( 0.954 0.000 -4.094) 4.204 4.408 ( -0.648 0.000 -0.694) 0.950 4.492 ( 1.179 0.000 0.139) 1.187 4.501 ( 0.928 0.000 -1.033) 1.388 4.553 ( -1.726 0.000 -0.127) 1.731 4.585 ( 0.108 0.000 -1.106) 1.111 4.694 ( -1.951 0.000 -1.584) 2.513 4.698 ( 1.501 0.000 3.914) 4.192 4.735 ( 2.363 0.000 4.912) 5.451 4.804 ( 0.717 0.000 2.825) 2.915 4.808 ( -0.265 0.000 0.942) 0.978 4.902 ( -0.546 0.000 0.844) 1.005 4.926 ( 0.931 0.000 0.387) 1.008 4.960 ( -0.061 0.000 0.179) 0.189 5.037 ( 1.677 0.000 0.897) 1.902 5.073 ( 0.813 0.000 -1.682) 1.868 5.111 ( 2.199 0.000 1.175) 2.493 5.117 ( 0.509 0.000 -0.336) 0.610 5.214 ( -2.670 0.000 -0.258) 2.682 5.270 ( 0.595 0.000 -5.268) 5.302 5.359 ( -0.020 0.000 -0.868) 0.868 5.393 ( 4.377 0.000 0.969) 4.483 5.497 ( 1.657 0.000 -0.274) 1.680 5.578 ( 0.151 0.000 2.451) 2.456 5.579 ( 0.210 0.000 -0.631) 0.665 5.601 ( 1.842 0.000 -0.570) 1.929 5.886 ( -1.117 0.000 -1.227) 1.659 5.915 ( -3.719 0.000 3.414) 5.049 5.922 ( -0.293 0.000 -0.911) 0.957 6.034 ( -2.836 0.000 2.524) 3.797 6.088 ( -4.049 0.000 -2.926) 4.995 6.296 ( -1.708 0.000 -5.991) 6.230 ======================= Grid point 55 (22/56) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -11.929 0.000 10.430) 15.846 0.557 ( -14.626 0.000 11.746) 18.759 0.965 ( -26.152 0.000 17.082) 31.237 1.038 ( 5.189 0.000 -11.449) 12.570 1.196 ( -3.804 0.000 -12.013) 12.601 1.434 ( 0.020 0.000 2.063) 2.063 1.555 ( -4.254 0.000 1.990) 4.697 1.568 ( 6.132 0.000 -5.448) 8.202 1.575 ( -3.766 0.000 8.557) 9.349 1.733 ( 2.579 0.000 4.842) 5.486 1.789 ( 5.471 0.000 -0.554) 5.499 1.820 ( -2.900 0.000 -1.888) 3.461 1.820 ( 0.249 0.000 -6.153) 6.158 1.852 ( 1.488 0.000 0.769) 1.675 1.886 ( -5.092 0.000 1.607) 5.340 1.983 ( -2.274 0.000 0.485) 2.326 2.028 ( 0.794 0.000 -1.176) 1.419 2.085 ( 1.604 0.000 -2.055) 2.607 2.132 ( -1.292 0.000 -2.767) 3.054 2.232 ( -2.424 0.000 -1.679) 2.949 2.311 ( -3.315 0.000 -4.883) 5.902 2.365 ( -2.283 0.000 -2.704) 3.539 2.436 ( -2.678 0.000 -7.125) 7.612 2.474 ( -2.760 0.000 -0.047) 2.761 2.522 ( 5.099 0.000 6.343) 8.138 2.592 ( -0.078 0.000 -1.345) 1.348 2.618 ( -3.812 0.000 0.271) 3.821 2.663 ( -0.468 0.000 -3.080) 3.116 2.671 ( -0.042 0.000 3.572) 3.572 2.688 ( -1.661 0.000 -0.263) 1.682 2.749 ( -0.292 0.000 0.972) 1.015 2.861 ( 3.096 0.000 1.646) 3.506 2.926 ( -0.106 0.000 0.188) 0.216 2.938 ( -0.370 0.000 -1.259) 1.313 2.979 ( -0.925 0.000 2.634) 2.792 3.061 ( 1.161 0.000 -0.471) 1.253 3.103 ( -2.191 0.000 2.702) 3.478 3.117 ( 0.590 0.000 -0.686) 0.904 3.170 ( 0.951 0.000 -0.564) 1.105 3.299 ( 4.687 0.000 -2.996) 5.562 3.380 ( 5.557 0.000 0.473) 5.577 3.518 ( 1.561 0.000 2.067) 2.590 3.539 ( -0.163 0.000 5.384) 5.387 3.558 ( 0.709 0.000 -0.819) 1.083 3.585 ( -0.223 0.000 -1.468) 1.485 3.622 ( 0.551 0.000 5.982) 6.007 3.668 ( 1.930 0.000 0.688) 2.049 3.676 ( -0.018 0.000 0.353) 0.354 3.764 ( 0.469 0.000 -1.284) 1.367 3.773 ( 0.681 0.000 -3.806) 3.867 3.806 ( -0.177 0.000 0.979) 0.995 3.878 ( -0.405 0.000 -2.972) 3.000 3.906 ( 0.550 0.000 0.405) 0.683 3.912 ( -0.689 0.000 4.640) 4.691 3.919 ( 1.044 0.000 -1.084) 1.505 3.975 ( 0.253 0.000 1.644) 1.663 4.045 ( -1.050 0.000 -0.345) 1.105 4.096 ( -2.220 0.000 -2.773) 3.553 4.101 ( 4.655 0.000 5.043) 6.863 4.154 ( 1.298 0.000 -2.563) 2.873 4.196 ( 0.197 0.000 -3.865) 3.870 4.308 ( 3.662 0.000 -1.361) 3.906 4.330 ( 0.671 0.000 -0.349) 0.756 4.358 ( 1.499 0.000 -2.054) 2.543 4.368 ( 7.879 0.000 7.470) 10.857 4.400 ( -0.018 0.000 0.033) 0.038 4.500 ( -2.374 0.000 -0.330) 2.397 4.525 ( 2.544 0.000 1.249) 2.834 4.543 ( 1.754 0.000 -2.444) 3.009 4.579 ( -0.688 0.000 0.149) 0.704 4.642 ( -3.393 0.000 -1.994) 3.935 4.698 ( -0.501 0.000 2.571) 2.620 4.758 ( -0.142 0.000 8.041) 8.042 4.783 ( -2.765 0.000 2.054) 3.444 4.875 ( 5.673 0.000 -3.231) 6.529 4.877 ( -1.299 0.000 2.629) 2.933 4.930 ( -0.325 0.000 -0.574) 0.660 5.017 ( 5.647 0.000 0.987) 5.733 5.077 ( 1.975 0.000 2.153) 2.922 5.091 ( 0.878 0.000 -1.397) 1.650 5.133 ( -0.289 0.000 1.751) 1.775 5.138 ( 1.261 0.000 -1.431) 1.907 5.197 ( 1.723 0.000 -1.989) 2.632 5.276 ( -0.848 0.000 -1.011) 1.319 5.368 ( 1.472 0.000 -4.287) 4.532 5.461 ( 2.437 0.000 2.438) 3.447 5.517 ( -2.887 0.000 1.631) 3.316 5.563 ( -1.063 0.000 -1.036) 1.484 5.592 ( 3.048 0.000 0.665) 3.120 5.647 ( 1.978 0.000 -0.360) 2.010 5.745 ( -6.863 0.000 2.928) 7.462 5.909 ( -3.120 0.000 -0.814) 3.224 5.909 ( -1.139 0.000 -1.784) 2.117 5.987 ( -5.787 0.000 -1.549) 5.991 6.010 ( 1.883 0.000 1.178) 2.221 6.229 ( -5.962 0.000 -8.215) 10.151 ======================= Grid point 56 (23/56) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( -1.752 13.966 13.165) 19.273 0.612 ( 2.265 15.861 12.694) 20.441 0.949 ( -0.341 25.271 11.635) 27.823 1.165 ( 3.427 3.863 -10.260) 11.486 1.223 ( -1.049 5.895 -11.813) 13.244 1.385 ( -1.396 -2.207 3.884) 4.680 1.475 ( -5.287 -0.900 3.327) 6.312 1.483 ( -1.626 3.124 -0.813) 3.615 1.655 ( 0.803 -0.069 -1.443) 1.653 1.711 ( -0.591 -0.277 5.693) 5.730 1.739 ( 1.407 -4.775 -1.671) 5.251 1.816 ( 1.061 -2.390 -0.502) 2.663 1.838 ( 1.380 0.984 5.225) 5.493 1.889 ( -0.432 -1.313 -2.276) 2.663 1.935 ( 2.560 0.177 -1.517) 2.981 1.989 ( 1.854 1.016 -6.347) 6.689 2.055 ( 3.296 0.448 -4.146) 5.315 2.073 ( -0.691 -4.367 -0.879) 4.508 2.124 ( 0.552 -2.288 -0.747) 2.469 2.171 ( -3.161 -0.596 -1.838) 3.705 2.214 ( 0.993 -2.983 1.033) 3.309 2.291 ( -2.156 -2.468 -1.216) 3.496 2.330 ( -1.949 -4.309 -5.524) 7.272 2.359 ( -2.816 -0.666 -1.094) 3.094 2.457 ( 2.164 -8.853 -2.185) 9.372 2.585 ( 0.016 -2.955 2.618) 3.948 2.609 ( -0.752 -2.128 -5.043) 5.525 2.626 ( 0.520 0.773 4.465) 4.561 2.667 ( -0.730 -1.192 1.340) 1.937 2.724 ( 1.645 1.319 -0.383) 2.143 2.777 ( -0.563 -1.070 1.369) 1.827 2.818 ( 2.606 0.140 1.734) 3.133 2.920 ( -0.677 2.049 -0.274) 2.175 2.947 ( -3.456 0.160 2.448) 4.238 2.974 ( -2.093 1.996 -1.310) 3.175 3.058 ( 0.869 3.510 1.772) 4.027 3.113 ( -0.434 -1.414 -2.406) 2.824 3.126 ( -1.067 0.818 -1.495) 2.010 3.209 ( 2.592 3.364 5.052) 6.600 3.381 ( 0.385 1.549 -0.445) 1.657 3.408 ( -0.994 -4.268 1.795) 4.736 3.445 ( 1.707 -3.023 0.649) 3.531 3.549 ( -0.895 -0.335 2.129) 2.334 3.563 ( 1.341 -2.435 -0.154) 2.784 3.593 ( -0.820 -2.041 -1.530) 2.679 3.628 ( -0.453 -1.852 1.094) 2.198 3.653 ( -0.640 1.803 -0.053) 1.914 3.694 ( 1.795 1.174 -0.649) 2.241 3.738 ( -0.454 -2.782 -2.877) 4.028 3.768 ( -0.065 0.748 -1.250) 1.458 3.846 ( -0.247 -1.377 2.508) 2.871 3.877 ( 0.118 3.146 1.147) 3.350 3.906 ( -0.798 2.191 -0.909) 2.503 3.930 ( 1.356 -0.468 -0.058) 1.436 3.970 ( 2.215 1.618 -0.669) 2.823 4.011 ( 0.449 2.414 1.996) 3.164 4.028 ( 0.128 1.378 0.641) 1.525 4.077 ( -1.042 -4.330 0.279) 4.462 4.096 ( 1.389 -2.914 2.538) 4.106 4.160 ( -1.019 1.715 -1.606) 2.561 4.220 ( -1.452 1.601 -0.252) 2.176 4.282 ( -2.537 -1.760 0.499) 3.127 4.349 ( 2.300 -2.495 -0.088) 3.395 4.397 ( 0.861 -2.867 -0.442) 3.026 4.399 ( -2.165 -1.103 0.934) 2.603 4.419 ( 1.404 1.452 -1.695) 2.637 4.453 ( -0.529 -1.853 2.585) 3.224 4.529 ( -1.080 -2.640 -1.450) 3.200 4.561 ( -0.190 0.371 -0.221) 0.472 4.629 ( 0.030 3.515 -1.384) 3.778 4.656 ( 0.976 2.061 1.874) 2.952 4.706 ( 1.929 1.486 -0.774) 2.555 4.776 ( 1.354 0.998 3.835) 4.188 4.819 ( -0.502 2.699 4.098) 4.932 4.866 ( -0.421 1.457 -0.106) 1.520 4.920 ( -0.880 1.414 -0.053) 1.666 4.995 ( 1.970 2.148 -1.264) 3.177 5.034 ( -0.976 -1.113 -2.161) 2.620 5.090 ( -0.081 -1.288 0.227) 1.310 5.114 ( 0.053 1.710 -1.164) 2.069 5.143 ( -0.833 0.608 1.370) 1.715 5.190 ( -2.081 0.306 0.879) 2.280 5.251 ( 7.510 -0.290 -0.712) 7.549 5.299 ( -4.028 -1.245 -2.284) 4.795 5.315 ( -2.501 -2.023 0.217) 3.225 5.417 ( 6.273 -2.135 -3.278) 7.392 5.513 ( -0.793 -1.146 0.522) 1.488 5.537 ( 0.488 0.167 -0.062) 0.519 5.625 ( 0.016 -0.451 1.043) 1.136 5.660 ( -0.061 0.742 -0.052) 0.747 5.688 ( -4.815 -0.175 2.819) 5.582 5.764 ( 0.117 -0.130 2.064) 2.072 5.841 ( 1.459 -1.987 -0.055) 2.466 5.908 ( -1.516 0.808 -1.108) 2.044 6.020 ( 0.532 1.545 4.328) 4.626 6.266 ( -0.950 2.066 -8.146) 8.458 ======================= Grid point 57 (24/56) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 5.434 13.029 8.147) 16.299 0.736 ( 10.105 13.241 9.412) 19.132 1.150 ( 7.379 9.498 -2.959) 12.386 1.185 ( 3.452 7.902 -5.049) 9.993 1.238 ( 6.155 8.401 -0.562) 10.430 1.377 ( -1.517 0.868 -0.019) 1.748 1.393 ( -0.138 1.613 1.189) 2.008 1.539 ( 5.059 0.334 0.529) 5.097 1.638 ( -0.884 0.721 -3.039) 3.246 1.689 ( -1.980 -0.097 3.184) 3.750 1.781 ( -0.157 -3.387 2.886) 4.453 1.805 ( -1.911 -4.082 0.517) 4.537 1.897 ( 4.367 1.262 6.543) 7.967 1.912 ( 1.390 -3.275 -1.478) 3.853 1.940 ( 0.447 -0.771 -2.797) 2.936 2.021 ( 1.216 -2.449 -1.044) 2.927 2.056 ( 1.503 -0.624 -1.553) 2.250 2.120 ( -0.063 -1.855 -5.392) 5.702 2.137 ( 2.891 0.565 -0.204) 2.953 2.142 ( 0.739 -1.277 0.292) 1.504 2.196 ( -1.339 -1.998 -1.178) 2.679 2.294 ( -0.093 -3.329 -8.316) 8.958 2.325 ( -1.346 0.737 -0.101) 1.538 2.338 ( 4.415 -3.798 -1.647) 6.052 2.488 ( 0.095 -5.103 0.097) 5.105 2.558 ( -1.067 -2.515 2.283) 3.560 2.603 ( 0.133 -4.684 -1.873) 5.047 2.654 ( -0.025 -3.102 0.397) 3.127 2.666 ( 2.428 0.386 0.779) 2.578 2.749 ( 1.776 -0.558 0.883) 2.060 2.767 ( -0.520 -1.173 2.347) 2.675 2.865 ( 0.541 -0.971 1.001) 1.496 2.874 ( -1.443 3.026 -0.569) 3.400 2.950 ( 0.748 0.931 -2.642) 2.900 2.962 ( 2.302 5.204 3.045) 6.454 3.048 ( -1.822 3.347 1.529) 4.106 3.092 ( -1.436 -1.989 -0.379) 2.482 3.139 ( 1.939 2.359 -2.832) 4.164 3.240 ( 0.731 3.279 4.788) 5.849 3.354 ( -3.769 1.304 -2.213) 4.560 3.385 ( -2.161 -1.635 -0.704) 2.800 3.432 ( -2.699 -2.516 2.460) 4.435 3.511 ( -1.797 -1.413 1.339) 2.649 3.575 ( 0.168 -2.491 0.659) 2.582 3.585 ( -0.216 -0.514 -0.848) 1.015 3.628 ( 0.801 -1.144 1.519) 2.063 3.662 ( 0.758 0.101 -0.340) 0.837 3.707 ( -0.694 -0.721 -1.759) 2.024 3.733 ( -0.378 -1.077 -2.571) 2.813 3.770 ( 0.560 -0.633 -1.324) 1.571 3.833 ( -1.012 1.525 1.885) 2.627 3.864 ( -0.591 0.365 -0.418) 0.811 3.903 ( 0.146 0.643 1.708) 1.831 3.945 ( -0.478 1.070 0.607) 1.320 3.989 ( -0.809 2.304 0.357) 2.468 4.025 ( 0.092 -1.104 1.607) 1.951 4.040 ( -0.082 1.557 0.418) 1.614 4.062 ( -0.106 -0.477 2.648) 2.693 4.097 ( -1.348 -0.060 0.861) 1.601 4.128 ( -0.012 -0.309 -1.286) 1.323 4.177 ( -1.558 0.548 -2.414) 2.925 4.255 ( -0.257 -0.051 2.033) 2.050 4.323 ( -3.997 -0.320 1.062) 4.148 4.382 ( 0.431 -2.077 -0.644) 2.217 4.410 ( 0.308 -1.414 0.663) 1.591 4.418 ( -1.601 -0.998 2.233) 2.924 4.435 ( -0.603 1.046 -0.839) 1.470 4.517 ( -0.498 -1.515 -1.574) 2.241 4.551 ( -0.795 0.108 -1.660) 1.844 4.624 ( -0.380 3.241 -0.596) 3.317 4.642 ( -1.272 -0.333 -0.836) 1.558 4.743 ( 1.018 2.768 1.060) 3.134 4.778 ( -2.494 0.768 5.260) 5.872 4.791 ( -0.170 1.208 2.583) 2.857 4.867 ( -0.732 0.319 -3.437) 3.529 4.901 ( -0.981 0.915 0.419) 1.405 4.938 ( -4.484 -1.612 1.953) 5.149 5.018 ( -1.746 -0.070 1.089) 2.059 5.059 ( -1.985 0.491 0.105) 2.047 5.094 ( -0.879 0.771 0.469) 1.260 5.128 ( -1.629 1.393 -0.637) 2.236 5.188 ( 1.121 -2.090 -2.532) 3.469 5.218 ( 0.586 0.977 1.032) 1.537 5.310 ( -1.615 -1.181 -3.379) 3.927 5.353 ( 0.742 -0.317 -1.450) 1.660 5.438 ( -1.695 -1.416 -0.943) 2.401 5.530 ( -2.735 1.180 0.494) 3.020 5.538 ( -1.161 -1.651 0.868) 2.197 5.602 ( -2.814 -0.044 1.111) 3.026 5.652 ( 2.821 2.617 -0.692) 3.909 5.742 ( 8.398 -3.890 -0.801) 9.290 5.805 ( 4.199 -0.404 3.504) 5.483 5.890 ( 0.841 -0.756 -1.163) 1.622 5.956 ( 6.654 -0.522 -0.028) 6.675 6.042 ( 1.875 0.060 2.724) 3.308 6.220 ( -2.534 1.332 -6.892) 7.463 ======================= Grid point 58 (25/56) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 11.793 6.117 0.394) 13.290 0.964 ( 11.890 8.326 3.926) 15.037 1.082 ( -3.654 2.959 -2.911) 5.531 1.296 ( 2.353 4.788 -3.291) 6.269 1.317 ( -3.504 2.972 -4.929) 6.739 1.374 ( 3.065 3.143 -8.015) 9.139 1.433 ( -0.664 5.949 0.827) 6.043 1.600 ( -5.861 -2.182 3.788) 7.312 1.623 ( 1.925 3.054 2.170) 4.212 1.723 ( 4.467 -1.248 2.204) 5.135 1.744 ( -0.702 -3.676 5.863) 6.955 1.791 ( 3.495 2.481 3.793) 5.723 1.890 ( 2.704 -0.943 4.005) 4.924 1.928 ( -1.966 -2.743 -4.689) 5.777 2.020 ( 2.552 -1.214 1.450) 3.177 2.076 ( 3.019 -3.579 -5.235) 7.023 2.093 ( 0.790 -1.361 -2.847) 3.253 2.140 ( 3.490 -0.510 0.051) 3.527 2.163 ( 2.101 -0.993 0.823) 2.465 2.196 ( 0.071 -0.551 0.082) 0.561 2.206 ( 3.870 4.312 -0.302) 5.802 2.299 ( 0.379 -2.568 0.687) 2.686 2.317 ( 1.888 -3.350 -8.046) 8.918 2.412 ( 1.596 -7.862 1.694) 8.199 2.471 ( 0.149 1.811 2.043) 2.734 2.575 ( 0.863 -8.454 2.058) 8.743 2.600 ( -0.667 -4.026 -0.908) 4.181 2.668 ( 1.716 -2.589 1.940) 3.662 2.701 ( 0.788 0.576 -0.919) 1.341 2.762 ( 0.593 -2.099 1.814) 2.837 2.801 ( 3.191 0.109 0.352) 3.212 2.844 ( 0.357 -1.459 -0.847) 1.724 2.900 ( 1.687 3.313 -0.816) 3.806 2.940 ( -1.089 3.987 -2.376) 4.767 2.986 ( -1.611 -1.665 -0.719) 2.426 3.046 ( 1.039 5.907 3.129) 6.765 3.066 ( -0.155 0.325 -0.981) 1.045 3.169 ( 0.579 1.516 -2.545) 3.019 3.216 ( -6.868 0.421 -1.170) 6.979 3.271 ( 0.157 3.210 2.933) 4.351 3.307 ( -5.402 1.601 -2.989) 6.378 3.377 ( -2.673 0.270 2.743) 3.839 3.484 ( -0.875 -1.091 0.658) 1.546 3.579 ( 0.010 -0.726 -0.150) 0.741 3.590 ( 0.949 0.077 0.652) 1.154 3.620 ( -1.896 -1.220 1.384) 2.645 3.676 ( -1.937 -0.942 0.151) 2.159 3.696 ( 2.817 0.046 -1.004) 2.991 3.727 ( -0.210 -1.414 -2.553) 2.926 3.782 ( 0.411 1.443 -0.413) 1.556 3.819 ( -0.243 1.581 -0.924) 1.848 3.860 ( -0.665 -2.004 1.745) 2.739 3.887 ( -2.188 0.704 1.166) 2.577 3.916 ( -1.068 2.925 3.119) 4.408 3.970 ( -0.041 1.532 -0.052) 1.533 3.994 ( -2.475 -0.242 2.517) 3.539 4.037 ( 0.259 1.203 1.957) 2.311 4.046 ( -0.712 2.379 3.434) 4.238 4.115 ( -0.390 -1.737 1.426) 2.281 4.130 ( 0.743 0.978 -3.896) 4.086 4.182 ( 1.966 -1.366 -4.344) 4.960 4.263 ( -1.838 2.941 -1.677) 3.852 4.271 ( 0.955 -0.912 3.178) 3.441 4.355 ( -2.280 -0.197 -0.001) 2.288 4.382 ( -1.679 -1.800 -0.115) 2.464 4.400 ( -1.231 2.899 -1.579) 3.523 4.440 ( 0.575 -2.981 1.206) 3.267 4.511 ( -0.339 -0.053 -0.589) 0.682 4.538 ( 0.077 -2.220 0.024) 2.221 4.603 ( -1.498 1.928 -1.347) 2.789 4.629 ( -0.285 -0.389 0.177) 0.513 4.716 ( -2.604 -1.744 2.024) 3.731 4.772 ( 1.190 0.792 0.545) 1.530 4.784 ( -0.915 1.280 2.935) 3.330 4.851 ( -1.502 -0.152 0.929) 1.773 4.871 ( -1.286 -1.563 1.360) 2.439 4.876 ( -1.033 0.075 -0.721) 1.262 4.992 ( -0.592 0.621 -1.207) 1.481 5.041 ( -0.736 0.036 1.358) 1.544 5.076 ( -0.930 1.161 0.937) 1.758 5.098 ( -0.475 0.562 -1.037) 1.272 5.202 ( -0.393 0.507 0.278) 0.699 5.252 ( 1.276 -2.597 -0.030) 2.894 5.281 ( -0.142 -0.218 -3.090) 3.101 5.331 ( -2.238 0.808 -0.669) 2.471 5.372 ( -3.503 1.630 -1.956) 4.331 5.481 ( -0.709 -1.333 0.702) 1.665 5.533 ( -2.000 -1.531 -0.175) 2.525 5.584 ( 1.098 2.466 0.675) 2.783 5.657 ( -1.105 3.707 0.474) 3.897 5.834 ( 2.397 -0.996 0.935) 2.759 5.903 ( 1.377 -1.945 -1.179) 2.659 5.922 ( 4.215 -2.116 1.176) 4.861 6.053 ( 1.767 -0.922 3.623) 4.135 6.078 ( 2.543 -0.587 -2.028) 3.305 6.217 ( 2.077 -3.309 -5.681) 6.895 ======================= Grid point 59 (26/56) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 2.401 3.122 -2.322) 4.572 1.053 ( 6.825 -0.471 -7.908) 10.456 1.077 ( -7.510 3.267 -0.563) 8.209 1.184 ( -4.101 9.195 3.333) 10.606 1.366 ( 2.319 3.151 -5.326) 6.608 1.429 ( 3.200 3.108 -3.213) 5.497 1.441 ( 0.493 3.168 2.132) 3.850 1.505 ( 0.828 1.321 -0.253) 1.580 1.596 ( 0.049 3.222 0.623) 3.283 1.733 ( 0.355 -3.616 2.193) 4.244 1.755 ( -2.154 -2.168 6.028) 6.759 1.836 ( 0.011 -1.508 1.154) 1.899 1.887 ( 0.046 -1.115 -0.206) 1.135 1.985 ( -1.439 -1.233 -2.992) 3.542 2.034 ( -2.423 2.597 0.178) 3.557 2.063 ( -3.836 -0.214 -1.953) 4.309 2.101 ( -2.829 -2.703 -0.899) 4.015 2.121 ( 0.317 -0.889 0.266) 0.981 2.190 ( 1.457 -1.670 0.187) 2.224 2.260 ( 4.014 -3.165 -1.167) 5.243 2.298 ( 2.700 2.240 2.202) 4.142 2.319 ( 1.148 -1.478 -3.720) 4.164 2.368 ( 3.113 -1.394 -0.989) 3.552 2.408 ( -0.662 -4.809 5.145) 7.074 2.490 ( 0.279 -5.335 1.262) 5.489 2.544 ( -3.471 -3.755 2.994) 5.925 2.577 ( -0.786 -3.715 -1.139) 3.964 2.665 ( 0.154 -1.268 5.343) 5.493 2.728 ( -0.148 -4.295 -1.051) 4.424 2.797 ( 0.497 -1.574 0.137) 1.656 2.841 ( 0.716 -0.177 -0.496) 0.888 2.891 ( 2.665 -0.128 -1.618) 3.120 2.907 ( 0.939 2.897 -1.510) 3.400 2.926 ( -0.499 3.121 -3.844) 4.976 3.000 ( 1.256 0.505 -0.859) 1.603 3.010 ( -0.109 -0.543 -0.789) 0.964 3.063 ( -1.974 3.153 2.977) 4.765 3.118 ( -0.297 2.139 0.380) 2.192 3.147 ( -3.218 -0.196 -3.839) 5.013 3.213 ( -2.522 4.474 -2.591) 5.752 3.326 ( 3.827 2.255 2.362) 5.031 3.352 ( 0.708 4.179 -0.004) 4.238 3.480 ( 0.108 -1.341 2.089) 2.485 3.560 ( -1.310 0.487 -1.772) 2.256 3.599 ( 0.269 -0.162 1.809) 1.836 3.624 ( 1.901 0.224 0.963) 2.143 3.643 ( -1.218 -1.108 0.996) 1.925 3.726 ( 0.031 -1.446 -2.120) 2.567 3.738 ( 0.552 1.008 -2.038) 2.339 3.789 ( -0.257 1.864 0.523) 1.953 3.801 ( -0.570 -0.043 0.148) 0.590 3.834 ( -0.634 -0.841 2.444) 2.661 3.871 ( -0.219 -0.675 -1.994) 2.116 3.914 ( 0.619 2.189 4.770) 5.285 3.955 ( -1.153 0.909 1.086) 1.826 3.977 ( 0.284 1.012 -0.658) 1.240 4.021 ( -0.972 3.220 5.556) 6.495 4.054 ( 0.997 -0.264 0.912) 1.377 4.114 ( -0.024 -0.542 1.140) 1.263 4.139 ( 0.575 0.100 -1.707) 1.804 4.202 ( -0.459 -1.342 -5.239) 5.427 4.236 ( -0.233 3.198 -1.683) 3.622 4.277 ( -0.559 -1.129 4.030) 4.222 4.324 ( -0.789 0.188 -1.537) 1.738 4.370 ( 0.016 1.529 -0.762) 1.709 4.392 ( 0.514 0.438 -2.562) 2.649 4.446 ( 0.477 -2.327 0.245) 2.388 4.501 ( -0.052 1.258 -0.672) 1.427 4.571 ( 3.235 -4.660 3.203) 6.515 4.585 ( -0.408 0.633 -1.512) 1.689 4.613 ( -1.362 0.184 0.643) 1.518 4.682 ( -0.949 -1.982 0.607) 2.280 4.749 ( -2.035 0.244 1.618) 2.611 4.800 ( 0.504 -2.539 1.513) 2.998 4.815 ( -0.477 2.465 2.103) 3.275 4.866 ( 0.300 -2.115 0.577) 2.213 4.897 ( 2.407 0.266 -0.290) 2.439 4.992 ( 0.135 0.856 -3.203) 3.318 5.031 ( 0.018 0.470 1.231) 1.317 5.070 ( -0.028 0.675 0.968) 1.180 5.094 ( 0.139 0.559 -0.170) 0.600 5.170 ( -2.512 2.019 1.895) 3.738 5.244 ( -1.872 -1.013 1.124) 2.407 5.273 ( -1.015 -0.717 -3.931) 4.123 5.323 ( 3.305 0.331 -1.958) 3.856 5.356 ( 0.352 1.416 -1.442) 2.051 5.479 ( 0.456 -1.756 0.731) 1.956 5.502 ( -0.885 -1.362 0.298) 1.652 5.611 ( 1.110 2.897 0.499) 3.142 5.647 ( 0.745 3.361 -0.895) 3.557 5.840 ( -0.700 -2.183 1.820) 2.927 5.912 ( -0.204 -1.301 -1.132) 1.736 5.979 ( 1.034 -0.175 1.392) 1.743 6.053 ( -1.502 -1.910 3.149) 3.978 6.106 ( -0.091 -1.655 -2.864) 3.309 6.253 ( 0.940 -4.258 -4.223) 6.070 ======================= Grid point 61 (27/56) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -12.886 6.196 2.137) 14.457 0.955 ( -10.021 9.298 3.023) 14.000 1.029 ( -1.173 3.485 -4.766) 6.020 1.264 ( 6.844 0.073 -6.905) 9.722 1.333 ( -3.242 2.615 -5.909) 7.229 1.439 ( 0.869 1.758 5.098) 5.462 1.543 ( 3.248 4.564 -6.431) 8.529 1.609 ( 5.451 2.012 2.313) 6.254 1.634 ( -0.516 3.954 3.523) 5.321 1.685 ( -2.446 -0.375 4.020) 4.721 1.730 ( -1.818 4.006 3.446) 5.589 1.785 ( -4.593 -1.676 6.743) 8.329 1.847 ( -3.384 -1.573 -6.539) 7.529 1.910 ( -1.155 -1.381 2.545) 3.117 1.950 ( -3.663 -0.146 -1.447) 3.942 1.998 ( -1.212 -0.083 1.062) 1.613 2.040 ( -3.560 -1.095 -0.511) 3.759 2.101 ( -3.596 -2.858 -0.722) 4.650 2.192 ( -2.150 -1.549 -1.061) 2.855 2.262 ( -1.479 -6.153 -7.364) 9.709 2.279 ( -4.132 -0.434 -2.332) 4.764 2.349 ( 1.441 -6.087 -2.907) 6.898 2.382 ( -1.723 -1.861 3.174) 4.062 2.444 ( 3.981 -2.847 3.510) 6.023 2.477 ( -1.421 -5.756 -0.921) 5.999 2.504 ( -0.336 -2.605 2.143) 3.390 2.577 ( -0.020 -0.920 1.841) 2.058 2.673 ( -0.406 -2.903 1.126) 3.140 2.705 ( -1.107 -1.735 -1.859) 2.773 2.749 ( -3.571 -1.546 0.035) 3.892 2.795 ( -2.965 0.593 0.666) 3.096 2.850 ( -4.211 3.512 -2.660) 6.094 2.943 ( 1.123 0.962 -1.492) 2.100 2.969 ( 2.553 2.415 -0.513) 3.552 3.017 ( 0.945 1.516 2.584) 3.142 3.047 ( 2.047 -1.910 1.570) 3.210 3.100 ( 0.350 -0.205 -1.333) 1.393 3.112 ( 0.376 2.175 -0.689) 2.312 3.151 ( 4.349 0.186 -1.137) 4.499 3.199 ( 2.952 5.044 -0.890) 5.912 3.363 ( 1.310 4.703 -0.211) 4.886 3.419 ( 3.576 -1.013 1.218) 3.911 3.477 ( -0.117 -2.301 1.753) 2.895 3.563 ( 1.075 0.830 -0.679) 1.518 3.599 ( -0.340 0.640 2.151) 2.269 3.639 ( 0.735 -1.009 0.625) 1.396 3.662 ( 1.667 -0.028 0.257) 1.687 3.698 ( -2.406 -0.407 -1.768) 3.013 3.743 ( 0.534 -0.570 -1.800) 1.963 3.771 ( -0.591 2.336 -0.876) 2.564 3.824 ( 0.078 1.387 2.670) 3.010 3.830 ( 1.232 -1.562 1.125) 2.286 3.870 ( 0.713 0.039 -1.986) 2.111 3.938 ( 1.434 0.506 2.394) 2.836 3.957 ( 1.083 0.172 2.636) 2.855 3.973 ( -0.342 0.634 -1.887) 2.020 4.011 ( -0.184 2.581 7.192) 7.643 4.076 ( 1.052 -0.892 -0.641) 1.521 4.099 ( -1.417 -0.727 0.238) 1.610 4.155 ( 0.247 0.297 -2.248) 2.281 4.182 ( -0.025 -1.037 -2.883) 3.064 4.257 ( 1.825 2.715 -2.160) 3.920 4.265 ( -0.165 -0.735 5.448) 5.500 4.334 ( 1.372 -0.317 -1.401) 1.986 4.381 ( 0.645 1.392 -0.185) 1.545 4.396 ( 0.921 0.244 -0.766) 1.222 4.466 ( 1.376 -0.156 -2.133) 2.543 4.515 ( 0.937 0.160 -0.688) 1.173 4.558 ( -1.720 0.437 1.231) 2.159 4.602 ( 0.135 0.754 -1.035) 1.287 4.659 ( -1.441 -1.401 -1.015) 2.251 4.667 ( 5.591 -4.258 3.655) 7.922 4.726 ( -0.022 0.075 1.035) 1.038 4.785 ( -0.266 -1.623 1.567) 2.272 4.839 ( 0.645 2.273 2.549) 3.476 4.886 ( 2.496 -1.280 0.124) 2.807 4.943 ( 0.755 1.161 1.087) 1.760 4.982 ( -0.473 1.375 -2.063) 2.524 5.040 ( 1.275 0.235 0.005) 1.296 5.072 ( 0.398 0.661 -0.455) 0.896 5.107 ( 0.787 -0.038 1.219) 1.451 5.140 ( 0.127 2.269 1.224) 2.581 5.235 ( 0.392 0.571 -0.104) 0.700 5.256 ( -0.238 -0.578 -4.656) 4.698 5.350 ( -0.433 -0.573 -0.732) 1.026 5.404 ( 3.716 0.137 -0.591) 3.765 5.498 ( 0.915 -2.466 1.042) 2.829 5.505 ( 1.883 0.027 -0.546) 1.961 5.633 ( 1.537 2.622 -0.404) 3.066 5.659 ( -0.619 3.642 1.122) 3.860 5.834 ( -0.958 -3.718 0.572) 3.882 5.873 ( -4.373 -1.455 -0.116) 4.610 5.973 ( -0.144 1.150 0.071) 1.161 6.001 ( -3.549 -1.980 3.035) 5.072 6.075 ( -3.225 -1.499 -2.293) 4.232 6.250 ( -0.760 -3.849 -4.534) 5.996 ======================= Grid point 62 (28/56) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( -6.805 12.717 8.896) 16.945 0.726 ( -10.747 12.754 9.703) 19.295 1.071 ( 1.710 5.579 -8.701) 10.477 1.179 ( -11.833 12.202 0.953) 17.024 1.269 ( -6.266 9.998 -2.749) 12.116 1.407 ( -0.274 -2.455 1.730) 3.016 1.561 ( -3.341 -1.315 5.787) 6.810 1.572 ( -4.386 1.952 -2.267) 5.309 1.589 ( 4.009 1.463 0.296) 4.278 1.720 ( -0.397 -1.506 7.787) 7.942 1.755 ( -1.000 -2.630 -4.784) 5.550 1.785 ( 2.731 -1.992 -0.843) 3.483 1.855 ( 2.239 1.093 0.225) 2.502 1.875 ( 2.109 3.070 -4.719) 6.012 1.884 ( -4.224 -1.620 0.866) 4.606 1.964 ( -0.527 -1.352 1.409) 2.022 2.024 ( -1.325 -0.323 -0.091) 1.367 2.059 ( 2.694 -2.532 -2.071) 4.238 2.139 ( -2.304 0.336 -2.562) 3.462 2.202 ( -2.694 -1.957 -3.003) 4.484 2.240 ( -1.702 -6.162 -4.355) 7.735 2.338 ( -2.136 -0.155 -0.376) 2.175 2.366 ( -0.977 -6.468 -2.866) 7.141 2.433 ( -2.703 -3.959 -3.784) 6.107 2.440 ( -2.211 -9.541 1.545) 9.915 2.556 ( 3.057 -0.166 3.415) 4.586 2.590 ( 1.984 -0.068 3.377) 3.917 2.644 ( -1.706 -3.407 -3.288) 5.032 2.684 ( -1.238 0.312 2.571) 2.871 2.710 ( -0.575 1.766 -4.363) 4.742 2.775 ( 0.112 1.711 1.901) 2.560 2.797 ( -0.592 -1.940 1.359) 2.441 2.939 ( -1.132 2.076 -0.687) 2.462 2.988 ( -0.425 2.155 -1.966) 2.948 3.029 ( -1.451 -3.742 3.889) 5.589 3.041 ( -0.396 4.238 0.881) 4.347 3.118 ( 0.620 0.132 0.101) 0.642 3.141 ( 1.021 1.505 0.708) 1.952 3.156 ( 0.838 0.838 -1.090) 1.610 3.333 ( 5.907 2.376 -0.162) 6.369 3.391 ( 1.948 0.109 -0.606) 2.043 3.435 ( -1.255 -3.921 2.296) 4.714 3.507 ( 2.862 -0.775 1.559) 3.350 3.567 ( -0.438 -0.268 1.203) 1.308 3.603 ( 0.288 -1.111 -0.389) 1.212 3.637 ( -0.854 -2.573 0.506) 2.758 3.672 ( -0.501 2.658 -1.272) 2.989 3.679 ( 0.063 0.321 -0.163) 0.365 3.747 ( -0.366 -2.282 -2.573) 3.459 3.765 ( 0.208 1.520 -0.872) 1.765 3.842 ( 0.582 -0.915 1.982) 2.259 3.851 ( 2.124 3.208 2.767) 4.739 3.894 ( 1.280 0.210 -0.921) 1.591 3.936 ( -0.632 1.071 0.102) 1.247 3.957 ( -1.358 0.041 -1.686) 2.165 3.995 ( 1.630 1.862 2.746) 3.697 4.032 ( 1.320 -0.163 3.817) 4.042 4.064 ( -0.827 -1.384 0.388) 1.658 4.100 ( 0.373 -4.087 0.710) 4.165 4.154 ( 0.769 1.762 -2.883) 3.465 4.209 ( 1.933 1.536 -1.310) 2.795 4.287 ( 2.368 -2.200 4.716) 5.718 4.298 ( 2.534 0.747 -1.684) 3.133 4.357 ( 0.993 -1.034 1.688) 2.215 4.391 ( 0.854 0.382 -1.251) 1.562 4.430 ( 1.509 0.041 -1.285) 1.983 4.462 ( -2.201 -1.621 0.889) 2.874 4.538 ( 1.588 -0.209 -0.648) 1.727 4.554 ( 0.857 1.970 0.143) 2.153 4.596 ( 0.174 0.908 -1.681) 1.918 4.638 ( -0.292 1.471 -0.895) 1.746 4.718 ( -0.754 -0.142 2.688) 2.796 4.746 ( 1.458 -0.590 3.391) 3.738 4.829 ( -0.297 2.427 4.249) 4.902 4.853 ( 5.748 -1.297 -2.856) 6.548 4.903 ( -1.783 2.488 1.865) 3.585 4.940 ( 1.698 0.471 -0.136) 1.767 5.024 ( 3.532 1.674 -1.667) 4.249 5.072 ( 1.336 -0.601 1.276) 1.942 5.089 ( 1.154 0.265 -1.365) 1.807 5.125 ( 2.543 0.447 0.767) 2.694 5.150 ( -0.039 1.606 0.466) 1.673 5.229 ( -0.488 0.935 -1.033) 1.476 5.280 ( 1.408 -0.041 -1.390) 1.979 5.350 ( 0.855 -1.512 -3.837) 4.211 5.442 ( -0.932 -2.949 1.013) 3.255 5.518 ( 1.278 1.179 0.315) 1.767 5.553 ( 0.275 0.330 -0.166) 0.461 5.611 ( -2.076 0.304 1.154) 2.394 5.660 ( 0.764 0.958 -0.886) 1.512 5.740 ( -5.107 0.406 1.327) 5.292 5.820 ( -2.570 -5.092 -0.573) 5.733 5.901 ( -5.452 -0.988 0.968) 5.625 5.983 ( -5.631 -0.660 -0.933) 5.746 6.005 ( 1.259 1.090 2.661) 3.139 6.252 ( 1.291 -0.858 -6.553) 6.733 ======================= Grid point 63 (29/56) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( -0.577 14.744 10.250) 17.966 0.978 ( 0.528 17.389 6.608) 18.610 1.272 ( 3.544 6.870 -5.778) 9.651 1.311 ( -1.456 -2.760 5.158) 6.028 1.355 ( 0.487 8.305 -8.008) 11.547 1.442 ( -3.702 -1.725 1.296) 4.285 1.480 ( -1.475 9.319 3.334) 10.007 1.591 ( -0.702 2.139 -4.447) 4.984 1.615 ( 0.831 -4.147 0.340) 4.243 1.656 ( 1.074 5.555 1.773) 5.929 1.707 ( 0.714 -1.500 1.232) 2.068 1.739 ( -0.196 -3.499 -0.300) 3.517 1.842 ( 0.268 4.502 -0.856) 4.591 1.864 ( -0.322 -4.674 -3.506) 5.851 1.924 ( -0.635 -2.524 -1.873) 3.207 1.947 ( -3.178 -2.548 -3.726) 5.520 1.993 ( 1.309 0.168 3.197) 3.458 2.057 ( 0.855 -1.462 -1.515) 2.273 2.078 ( 2.165 -1.013 -0.255) 2.404 2.111 ( 0.309 -5.094 -1.475) 5.313 2.179 ( 0.916 -2.158 -1.410) 2.735 2.221 ( -2.805 -6.312 -0.733) 6.946 2.226 ( 2.460 -4.271 -2.100) 5.358 2.328 ( -0.242 1.516 1.963) 2.492 2.384 ( -0.118 1.795 -1.131) 2.125 2.511 ( 0.537 -2.695 0.938) 2.904 2.545 ( 0.222 -3.335 1.781) 3.787 2.639 ( -1.307 -1.607 0.081) 2.073 2.654 ( 0.039 1.897 1.145) 2.216 2.715 ( 0.842 -1.252 0.723) 1.673 2.775 ( -0.995 -0.859 1.992) 2.387 2.827 ( -0.661 -0.127 0.052) 0.675 2.971 ( -1.624 1.320 -1.917) 2.838 2.985 ( 3.160 2.906 -0.306) 4.304 2.990 ( 0.340 -0.905 -2.965) 3.119 3.032 ( -1.218 -2.942 -0.705) 3.262 3.122 ( -2.535 1.651 -1.188) 3.250 3.170 ( -0.462 2.499 -2.422) 3.511 3.294 ( 4.978 2.196 3.176) 6.300 3.302 ( -0.588 -3.383 2.847) 4.461 3.375 ( -1.349 -3.076 -0.151) 3.362 3.404 ( 1.632 -0.117 -0.318) 1.667 3.496 ( -1.497 -3.332 0.245) 3.661 3.536 ( -0.694 -2.270 -0.998) 2.575 3.561 ( -0.446 0.907 -0.701) 1.230 3.585 ( 0.280 -1.360 0.364) 1.435 3.629 ( -0.055 -3.237 -1.198) 3.452 3.663 ( 0.230 -1.957 -1.424) 2.431 3.751 ( 0.399 3.138 0.184) 3.169 3.830 ( -0.491 2.224 -2.677) 3.514 3.851 ( -1.056 1.407 2.553) 3.101 3.903 ( -1.131 -0.264 0.260) 1.190 3.920 ( 0.916 -0.655 1.697) 2.036 3.951 ( 0.628 -1.713 -0.758) 1.976 3.974 ( 1.765 0.130 1.259) 2.171 4.003 ( 0.203 0.450 3.290) 3.326 4.030 ( -0.088 1.009 -0.337) 1.068 4.064 ( 2.232 0.958 0.416) 2.464 4.105 ( 0.936 2.216 1.431) 2.799 4.182 ( -1.380 1.390 -0.250) 1.975 4.234 ( -2.292 -1.011 2.520) 3.553 4.256 ( -0.165 -0.900 1.362) 1.641 4.299 ( 1.557 -3.477 -1.337) 4.037 4.333 ( -1.486 -0.750 -1.011) 1.948 4.394 ( -0.787 0.371 2.282) 2.442 4.420 ( -0.196 1.354 2.223) 2.610 4.445 ( -0.052 -0.699 -3.671) 3.737 4.502 ( -0.371 1.114 1.381) 1.813 4.550 ( 0.175 -2.106 2.894) 3.583 4.642 ( 1.189 -2.993 -1.302) 3.473 4.717 ( 2.204 1.346 0.669) 2.668 4.749 ( -0.823 1.952 0.692) 2.229 4.780 ( 1.769 2.257 2.275) 3.660 4.861 ( -0.516 0.940 4.490) 4.616 4.931 ( -1.096 3.393 -3.681) 5.125 4.957 ( -0.945 1.851 -0.996) 2.305 5.012 ( 1.702 -0.303 -1.990) 2.636 5.022 ( -1.194 -0.583 -1.910) 2.327 5.112 ( -1.733 2.926 0.907) 3.519 5.145 ( 1.897 0.945 0.985) 2.338 5.169 ( -1.901 1.433 -1.230) 2.679 5.207 ( -1.093 1.278 0.292) 1.706 5.249 ( 5.609 0.041 0.171) 5.612 5.251 ( -6.019 -1.765 0.282) 6.278 5.298 ( 1.115 -0.302 -2.739) 2.973 5.362 ( 5.692 -2.773 -3.235) 7.110 5.475 ( -1.519 -1.962 0.456) 2.523 5.495 ( -2.315 -2.815 0.258) 3.654 5.658 ( -2.483 1.413 0.443) 2.891 5.680 ( -0.976 0.292 0.007) 1.019 5.705 ( -0.944 1.638 0.061) 1.892 5.756 ( 5.206 -1.333 -1.797) 5.666 5.855 ( -1.053 4.160 2.234) 4.838 5.934 ( -0.050 1.418 -1.373) 1.974 6.039 ( -0.056 0.413 4.176) 4.196 6.213 ( -0.201 -5.450 -3.570) 6.518 ======================= Grid point 64 (30/56) ======================= q-point: ( 0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 1.442 14.067 6.378) 15.513 1.029 ( 4.479 13.223 7.045) 15.638 1.254 ( -4.902 1.422 0.338) 5.116 1.347 ( 3.864 8.245 -6.407) 11.133 1.369 ( 1.060 1.215 -3.342) 3.710 1.446 ( 2.779 4.248 0.145) 5.078 1.539 ( 7.765 5.694 4.051) 10.447 1.575 ( -0.925 -0.310 -3.085) 3.236 1.668 ( 2.531 2.042 -0.615) 3.310 1.696 ( 0.289 -2.421 -2.741) 3.669 1.719 ( -2.030 -1.741 5.687) 6.284 1.731 ( 3.817 3.270 0.175) 5.029 1.824 ( -3.219 0.183 -0.977) 3.369 1.868 ( 0.133 -3.134 -1.925) 3.680 1.902 ( -0.351 -7.934 -5.219) 9.503 1.931 ( 4.701 -1.629 -0.002) 4.976 2.016 ( -0.167 -2.127 1.978) 2.910 2.083 ( 1.561 -3.504 -0.597) 3.883 2.089 ( 1.067 -0.561 -1.297) 1.771 2.132 ( 0.420 -3.327 -4.078) 5.280 2.182 ( 0.451 -2.527 0.290) 2.583 2.202 ( 1.501 -2.915 1.037) 3.439 2.287 ( 3.341 2.224 -1.805) 4.401 2.345 ( 1.319 -4.075 0.991) 4.396 2.397 ( 0.821 3.818 0.232) 3.912 2.512 ( -1.152 -2.424 0.833) 2.810 2.534 ( -0.104 -1.153 1.293) 1.736 2.609 ( -0.882 -1.111 1.801) 2.293 2.689 ( 2.884 0.640 -0.342) 2.974 2.730 ( 0.454 -1.586 3.192) 3.593 2.754 ( -0.292 -0.469 0.514) 0.755 2.821 ( 0.117 -1.950 1.162) 2.273 2.947 ( -0.558 1.112 -1.072) 1.642 2.973 ( -3.274 0.469 -3.991) 5.184 2.996 ( 0.191 -2.642 -3.614) 4.481 3.069 ( 1.955 4.233 2.471) 5.277 3.085 ( 0.404 -0.248 -2.006) 2.061 3.183 ( 1.614 0.623 -0.322) 1.760 3.300 ( -1.116 -0.551 -0.042) 1.245 3.331 ( -1.927 -1.202 1.712) 2.845 3.376 ( 2.553 1.788 1.854) 3.627 3.431 ( 0.369 1.160 0.518) 1.323 3.472 ( -0.449 -2.204 -1.207) 2.553 3.529 ( 0.051 -2.908 -0.407) 2.937 3.549 ( -0.010 -0.678 -0.657) 0.944 3.598 ( 0.308 -1.808 0.258) 1.852 3.626 ( -0.147 -2.618 -2.238) 3.448 3.658 ( -0.475 -1.727 -0.508) 1.862 3.758 ( 0.083 2.449 -0.777) 2.571 3.798 ( -1.882 1.356 -3.044) 3.827 3.849 ( 0.084 1.292 3.347) 3.589 3.885 ( -0.263 1.040 -0.675) 1.268 3.924 ( -0.400 -0.939 2.130) 2.362 3.970 ( 0.858 0.225 0.384) 0.966 3.982 ( -0.140 0.932 1.659) 1.908 4.017 ( 0.440 0.821 3.065) 3.204 4.041 ( 0.777 0.236 0.429) 0.919 4.098 ( 0.866 0.237 1.607) 1.841 4.117 ( 0.446 1.010 -2.491) 2.725 4.160 ( -0.040 4.081 2.600) 4.839 4.192 ( -2.590 0.409 1.258) 2.909 4.258 ( 0.062 -2.691 1.379) 3.025 4.276 ( -3.522 -0.824 1.318) 3.850 4.314 ( 0.309 -5.172 -2.479) 5.744 4.377 ( 0.060 -0.589 1.135) 1.280 4.404 ( -1.703 0.942 3.294) 3.826 4.438 ( -0.527 -0.839 -2.354) 2.554 4.508 ( 0.453 2.058 -1.290) 2.471 4.551 ( -0.010 -1.211 1.630) 2.030 4.641 ( -1.295 -0.267 -0.215) 1.339 4.704 ( -3.062 2.932 0.293) 4.250 4.740 ( -0.563 -1.126 -0.524) 1.363 4.798 ( -2.769 1.326 1.806) 3.562 4.821 ( -1.580 0.698 2.231) 2.821 4.884 ( -1.986 1.237 -2.754) 3.614 4.928 ( -2.718 0.674 -0.212) 2.808 4.933 ( -3.002 0.931 -0.460) 3.176 5.036 ( -1.988 -1.123 0.442) 2.326 5.069 ( -2.164 2.766 1.292) 3.742 5.104 ( -0.865 0.346 -0.358) 0.998 5.131 ( -2.868 -0.604 -0.187) 2.937 5.182 ( 0.183 -0.298 -1.381) 1.424 5.239 ( 1.228 2.144 0.206) 2.479 5.290 ( -0.577 -0.184 -2.138) 2.222 5.353 ( -0.437 -0.014 -1.238) 1.313 5.401 ( -0.150 -2.120 -2.375) 3.187 5.496 ( 3.388 -0.996 0.852) 3.633 5.544 ( -3.799 -0.288 0.721) 3.878 5.600 ( -1.794 -0.254 0.896) 2.021 5.624 ( 9.469 -3.071 -1.434) 10.057 5.774 ( 1.778 4.160 -0.234) 4.530 5.847 ( 0.313 3.620 2.088) 4.190 5.863 ( 3.516 -1.539 -1.153) 4.007 5.959 ( 3.548 0.721 -0.746) 3.696 6.034 ( -0.024 -0.702 3.194) 3.271 6.170 ( -3.462 -4.958 -3.230) 6.856 ======================= Grid point 65 (31/56) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 3.430 8.945 -0.051) 9.580 1.126 ( 1.588 4.215 5.801) 7.344 1.167 ( -0.221 6.187 -3.922) 7.329 1.420 ( 3.081 4.334 -3.591) 6.417 1.433 ( 4.607 3.050 -1.060) 5.626 1.455 ( -0.909 6.859 1.701) 7.125 1.547 ( -3.637 3.501 0.865) 5.122 1.588 ( -2.696 2.558 0.204) 3.722 1.663 ( -1.261 -0.940 1.871) 2.444 1.684 ( -1.321 1.626 3.129) 3.765 1.737 ( 3.632 3.621 0.535) 5.157 1.767 ( 0.200 -1.832 -0.522) 1.915 1.844 ( 2.924 -2.023 -5.567) 6.606 1.891 ( 1.516 -4.434 -0.587) 4.723 1.921 ( 1.718 -8.161 -7.132) 10.974 1.995 ( -0.211 -5.279 -2.790) 5.974 2.045 ( 4.687 -4.619 1.178) 6.685 2.080 ( 0.001 -3.440 -3.368) 4.814 2.112 ( -1.200 -3.407 -3.911) 5.324 2.178 ( 6.222 -2.983 3.425) 7.703 2.236 ( 2.587 0.421 0.308) 2.639 2.247 ( 2.925 -1.304 1.719) 3.635 2.332 ( -1.966 1.952 -5.738) 6.372 2.369 ( 1.344 -5.016 2.481) 5.755 2.391 ( 2.920 6.033 7.808) 10.290 2.506 ( 0.376 0.666 3.538) 3.620 2.542 ( 0.508 -1.079 -0.450) 1.275 2.622 ( 2.494 -1.758 2.031) 3.665 2.724 ( -0.257 1.296 2.804) 3.100 2.748 ( 1.868 0.079 2.173) 2.867 2.783 ( 2.767 -1.985 0.746) 3.486 2.828 ( 0.990 0.003 -0.489) 1.104 2.899 ( -2.984 -2.918 -2.799) 5.025 2.936 ( -1.990 -3.913 1.376) 4.600 3.027 ( 2.504 1.046 -5.936) 6.527 3.040 ( -1.519 3.535 -2.022) 4.347 3.140 ( 2.011 2.381 0.565) 3.167 3.186 ( -2.914 -1.005 0.803) 3.185 3.248 ( -1.921 3.259 -2.296) 4.425 3.303 ( -1.634 0.192 3.635) 3.990 3.397 ( 0.079 4.180 0.517) 4.213 3.423 ( -0.692 3.354 0.685) 3.492 3.485 ( 1.343 0.404 -1.488) 2.045 3.540 ( 1.079 -3.527 -0.974) 3.814 3.560 ( 0.443 -2.044 -1.818) 2.771 3.592 ( -0.125 -0.778 -0.402) 0.884 3.616 ( -1.124 -2.512 -0.752) 2.852 3.656 ( 0.256 -2.496 -1.391) 2.869 3.745 ( -1.032 0.805 -1.415) 1.927 3.781 ( -0.307 -1.466 -3.410) 3.724 3.846 ( -0.319 2.625 3.968) 4.768 3.891 ( 0.513 3.055 0.412) 3.125 3.912 ( -0.540 0.910 1.925) 2.197 3.966 ( -0.512 2.157 1.926) 2.936 3.991 ( 0.148 0.624 2.219) 2.310 4.025 ( 0.561 1.939 3.680) 4.197 4.043 ( -0.492 0.739 0.671) 1.113 4.087 ( -1.910 0.024 2.720) 3.324 4.121 ( -0.049 1.087 0.022) 1.089 4.145 ( -1.581 -0.196 -1.198) 1.993 4.170 ( 0.664 2.063 -1.224) 2.488 4.229 ( -0.055 -2.790 1.293) 3.075 4.278 ( 0.200 -2.663 1.035) 2.864 4.321 ( 1.082 -2.425 -2.722) 3.802 4.362 ( -1.286 0.776 2.526) 2.939 4.395 ( 0.831 -2.401 1.786) 3.106 4.434 ( 0.272 -0.216 -0.463) 0.578 4.495 ( -2.118 2.640 -2.559) 4.243 4.544 ( -1.056 -0.778 1.250) 1.812 4.601 ( -2.212 -0.108 1.085) 2.466 4.645 ( -3.043 1.270 0.173) 3.302 4.693 ( -2.275 -2.626 -2.152) 4.087 4.740 ( -1.934 0.814 -0.951) 2.304 4.811 ( -1.011 1.046 1.115) 1.833 4.856 ( -1.256 0.192 -0.562) 1.389 4.876 ( -1.084 -0.089 -1.477) 1.834 4.906 ( -1.139 2.521 1.396) 3.099 4.997 ( -1.112 -0.552 -1.667) 2.079 5.041 ( -0.993 0.587 1.853) 2.182 5.098 ( -0.591 0.704 0.801) 1.220 5.105 ( -0.036 0.173 0.154) 0.234 5.157 ( -1.691 -3.906 -0.922) 4.355 5.254 ( -0.800 1.154 -1.205) 1.850 5.286 ( 0.914 1.838 -0.767) 2.191 5.329 ( -0.848 -0.915 -0.354) 1.297 5.395 ( -0.109 -0.206 -0.621) 0.664 5.465 ( -2.625 0.141 0.254) 2.641 5.502 ( -1.863 -1.108 -0.334) 2.193 5.635 ( 2.545 2.521 0.731) 3.656 5.756 ( -2.503 4.238 0.270) 4.930 5.785 ( 4.620 -3.019 -0.075) 5.520 5.862 ( 0.708 -0.190 0.678) 0.998 5.914 ( 3.448 -0.017 -0.542) 3.490 6.020 ( -0.144 -2.395 2.483) 3.453 6.052 ( 2.577 -1.028 -0.918) 2.922 6.130 ( 0.254 -4.392 -3.154) 5.413 ======================= Grid point 66 (32/56) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.027 ( 3.720 2.189 -5.108) 6.687 1.077 ( -1.576 3.955 -2.201) 4.793 1.207 ( -1.159 6.670 0.587) 6.796 1.392 ( -6.361 6.223 6.532) 11.039 1.460 ( -0.045 3.761 2.110) 4.313 1.487 ( 3.070 4.907 4.211) 7.158 1.523 ( 3.139 4.276 -5.672) 7.766 1.571 ( 0.333 1.157 1.525) 1.943 1.653 ( -0.411 1.299 0.651) 1.510 1.696 ( 3.211 4.612 -0.639) 5.656 1.729 ( -0.406 -0.118 3.204) 3.231 1.814 ( -0.204 0.737 -4.540) 4.604 1.840 ( 0.658 -2.382 -1.743) 3.024 1.922 ( -0.966 -3.870 -6.508) 7.633 1.947 ( 0.436 -7.816 -4.941) 9.257 1.963 ( -1.738 -3.509 -3.521) 5.266 2.072 ( -0.050 -6.355 -2.222) 6.732 2.086 ( -0.548 -7.331 -3.963) 8.351 2.159 ( 4.640 -8.319 1.256) 9.608 2.194 ( -4.491 3.504 1.373) 5.860 2.227 ( -3.202 -6.245 0.126) 7.019 2.273 ( -2.052 2.742 -1.232) 3.639 2.342 ( 5.146 -2.681 2.342) 6.257 2.371 ( -1.631 0.127 2.755) 3.204 2.484 ( 1.407 1.437 6.490) 6.794 2.509 ( 1.854 3.156 4.609) 5.886 2.557 ( 0.092 -0.213 0.076) 0.244 2.650 ( -4.250 2.122 4.540) 6.572 2.671 ( -0.473 -1.513 -1.738) 2.353 2.775 ( -0.713 -0.468 2.727) 2.858 2.829 ( -0.019 -1.712 4.446) 4.764 2.862 ( 3.709 -1.775 -2.886) 5.024 2.882 ( 0.547 -4.337 -0.835) 4.451 2.903 ( 0.264 -3.159 -0.177) 3.175 3.032 ( 0.906 2.940 -2.343) 3.867 3.055 ( -0.260 2.579 -6.941) 7.409 3.117 ( -0.674 4.028 2.714) 4.903 3.166 ( -0.450 2.929 -0.685) 3.041 3.216 ( -0.790 3.271 -0.542) 3.408 3.294 ( 0.233 2.248 1.540) 2.735 3.382 ( -1.465 2.958 0.620) 3.359 3.435 ( 2.679 2.873 -1.021) 4.059 3.486 ( -1.740 0.388 0.646) 1.896 3.564 ( 1.379 -0.593 -3.640) 3.937 3.579 ( 1.507 -1.125 -0.522) 1.952 3.593 ( -0.368 -2.491 -2.853) 3.806 3.606 ( 0.501 -1.177 0.726) 1.471 3.652 ( -1.001 -4.123 -1.278) 4.431 3.728 ( -0.642 -1.100 -2.354) 2.676 3.770 ( -0.307 -2.115 -0.964) 2.344 3.851 ( 0.941 2.703 2.756) 3.973 3.884 ( -1.142 2.108 2.655) 3.577 3.912 ( 0.220 5.272 0.319) 5.286 3.957 ( -0.609 2.354 2.662) 3.606 3.984 ( -0.501 0.965 2.720) 2.929 4.023 ( -1.001 0.827 3.069) 3.332 4.039 ( -0.203 0.598 1.253) 1.403 4.057 ( -0.425 -0.360 3.359) 3.405 4.111 ( -0.813 -0.530 -0.476) 1.081 4.139 ( 0.601 0.067 -1.034) 1.198 4.169 ( -0.658 -0.139 -3.120) 3.192 4.253 ( 1.897 -0.222 2.257) 2.957 4.284 ( 1.218 -1.127 -0.601) 1.765 4.338 ( -0.067 1.439 -1.272) 1.922 4.351 ( -0.330 -0.513 0.744) 0.962 4.414 ( 0.543 0.442 2.145) 2.256 4.448 ( 0.176 -3.970 -0.396) 3.994 4.472 ( 2.151 0.551 -0.208) 2.230 4.512 ( -1.694 -1.166 0.492) 2.114 4.561 ( -1.540 -0.945 0.904) 2.020 4.609 ( -0.347 0.328 0.312) 0.570 4.685 ( 0.581 -1.544 -3.077) 3.492 4.713 ( -0.703 -0.536 -0.645) 1.094 4.778 ( -1.840 1.442 -0.361) 2.365 4.851 ( 0.841 0.098 -0.018) 0.847 4.862 ( -0.616 1.080 -1.112) 1.669 4.912 ( 2.014 1.401 0.477) 2.499 4.994 ( 0.528 -0.174 -2.238) 2.306 5.025 ( -0.644 -0.611 1.485) 1.730 5.090 ( -0.446 0.524 0.687) 0.972 5.105 ( 0.437 0.654 0.466) 0.914 5.149 ( 0.962 -2.790 0.273) 2.964 5.248 ( 0.410 -0.548 -1.178) 1.362 5.285 ( -2.468 0.012 -1.351) 2.814 5.321 ( 1.580 2.183 1.338) 3.009 5.395 ( -0.547 1.550 -0.498) 1.718 5.447 ( 0.362 -0.921 0.518) 1.117 5.479 ( -0.124 -1.069 -0.558) 1.212 5.666 ( 0.966 2.425 0.610) 2.680 5.733 ( 1.189 3.765 -1.423) 4.197 5.795 ( -1.975 -1.766 2.655) 3.751 5.870 ( -0.148 -2.194 -0.901) 2.376 5.973 ( 1.166 -0.386 0.677) 1.403 6.004 ( -1.129 -2.353 1.457) 2.988 6.071 ( -0.560 -1.153 -1.277) 1.809 6.152 ( 0.871 -4.650 -2.724) 5.459 ======================= Grid point 68 (33/56) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( -4.062 9.130 2.019) 10.195 1.123 ( -2.770 5.029 -2.169) 6.138 1.148 ( 1.312 6.599 -0.070) 6.729 1.324 ( 0.490 6.607 -0.252) 6.630 1.431 ( -2.384 1.841 1.676) 3.447 1.472 ( -2.833 3.618 0.829) 4.669 1.601 ( 2.478 -2.126 1.503) 3.594 1.623 ( 2.210 1.762 0.780) 2.932 1.664 ( 2.728 -0.885 2.781) 3.995 1.737 ( 0.068 1.266 -2.571) 2.866 1.764 ( 3.336 5.796 0.867) 6.743 1.785 ( -3.897 -0.245 -3.895) 5.515 1.817 ( -3.728 -3.566 -0.862) 5.231 1.880 ( -0.822 0.247 -4.717) 4.795 1.925 ( -0.422 -0.892 -3.828) 3.954 1.953 ( -1.109 -6.682 -3.263) 7.519 2.052 ( -3.334 -0.011 -0.820) 3.433 2.080 ( -1.323 -7.304 -2.903) 7.970 2.108 ( -2.568 1.136 -0.484) 2.850 2.137 ( -5.057 -3.655 0.183) 6.242 2.198 ( -4.415 1.149 0.914) 4.653 2.223 ( 1.130 -10.272 1.364) 10.423 2.312 ( -2.794 1.148 -0.126) 3.024 2.402 ( -0.200 -2.816 1.440) 3.169 2.452 ( -2.510 3.829 5.825) 7.409 2.506 ( -2.608 -1.761 -1.001) 3.302 2.551 ( 1.366 -0.216 4.087) 4.314 2.596 ( -1.299 -3.984 2.937) 5.118 2.674 ( 0.772 0.925 -1.331) 1.795 2.749 ( -1.696 1.082 1.643) 2.598 2.790 ( -1.781 -0.331 2.256) 2.893 2.862 ( -2.081 -3.650 -0.011) 4.202 2.934 ( 2.296 -3.740 -2.761) 5.185 2.950 ( 3.071 -3.410 1.689) 4.890 3.027 ( -1.584 3.478 -5.256) 6.498 3.051 ( 0.288 2.234 -2.467) 3.341 3.136 ( 1.028 2.288 -1.399) 2.872 3.183 ( 1.295 2.387 0.171) 2.721 3.213 ( 0.287 5.321 2.006) 5.694 3.310 ( 2.216 4.678 -0.106) 5.177 3.361 ( -0.560 -1.857 1.801) 2.647 3.440 ( -2.608 0.709 1.015) 2.887 3.502 ( 2.738 1.990 -0.182) 3.390 3.566 ( -0.717 -2.133 -3.060) 3.798 3.573 ( -1.936 -1.983 0.639) 2.844 3.596 ( 0.833 -2.849 -2.786) 4.071 3.622 ( -0.470 -1.939 -2.402) 3.122 3.639 ( 1.053 -1.780 0.414) 2.109 3.724 ( 0.273 -0.472 -1.698) 1.784 3.789 ( 2.121 -1.604 -0.808) 2.779 3.852 ( -0.627 0.468 1.153) 1.393 3.884 ( 0.928 3.554 2.066) 4.214 3.916 ( 0.523 3.318 1.098) 3.534 3.938 ( -1.143 2.981 2.231) 3.895 3.979 ( -0.574 0.994 4.635) 4.775 4.007 ( 0.233 1.114 -0.468) 1.231 4.033 ( -0.586 -0.763 1.059) 1.430 4.060 ( 0.363 0.775 4.741) 4.818 4.087 ( -1.600 -0.490 0.420) 1.725 4.160 ( 0.216 0.215 -2.363) 2.382 4.172 ( 2.729 -0.349 -1.494) 3.131 4.273 ( -0.028 1.349 2.115) 2.509 4.316 ( 0.385 -0.840 -0.784) 1.212 4.327 ( 1.302 2.708 1.116) 3.206 4.368 ( 0.718 -0.627 -0.434) 1.047 4.409 ( 0.393 0.871 -1.200) 1.533 4.452 ( -0.579 -4.210 2.953) 5.174 4.481 ( 0.187 -2.486 -2.046) 3.226 4.531 ( 1.243 -2.745 2.332) 3.810 4.576 ( 1.967 -2.391 -0.476) 3.132 4.632 ( 3.666 2.600 0.812) 4.567 4.691 ( 0.683 3.050 -3.191) 4.467 4.716 ( 0.835 -2.022 0.404) 2.225 4.761 ( 0.406 0.886 -0.736) 1.221 4.874 ( 1.140 0.867 0.890) 1.686 4.885 ( 3.145 0.682 -1.304) 3.472 4.966 ( 3.273 0.710 1.616) 3.718 4.998 ( -0.805 1.299 -1.378) 2.058 5.030 ( 1.760 -1.521 0.389) 2.359 5.086 ( -0.122 -0.175 -0.341) 0.402 5.120 ( 1.122 1.561 0.728) 2.056 5.182 ( 2.022 -0.623 0.458) 2.165 5.238 ( -0.756 2.076 -0.377) 2.241 5.268 ( 0.393 1.057 -2.207) 2.478 5.336 ( -1.071 -1.091 -0.330) 1.564 5.379 ( -0.260 -1.548 -0.187) 1.580 5.476 ( 2.954 0.192 0.318) 2.978 5.507 ( 3.001 -0.338 -0.558) 3.071 5.684 ( 0.639 1.934 -0.655) 2.140 5.722 ( -4.794 0.752 1.985) 5.243 5.791 ( 1.719 1.142 -0.266) 2.081 5.836 ( -3.780 -1.581 0.119) 4.099 5.952 ( -2.086 -1.682 -1.015) 2.866 5.978 ( -0.993 -1.524 2.255) 2.897 6.047 ( -1.973 -0.306 -0.802) 2.151 6.154 ( 0.056 -4.661 -2.306) 5.201 ======================= Grid point 69 (34/56) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( -2.839 14.736 8.023) 17.017 1.020 ( -4.610 13.960 5.967) 15.866 1.216 ( 3.139 7.244 -5.747) 9.766 1.338 ( -0.732 -1.099 -0.956) 1.630 1.379 ( -2.326 6.775 -4.542) 8.482 1.457 ( 0.677 -4.020 5.698) 7.006 1.585 ( -5.291 4.830 2.033) 7.447 1.630 ( -1.618 -5.138 1.790) 5.676 1.649 ( -3.853 2.637 -5.611) 7.300 1.671 ( -4.214 2.219 -0.712) 4.815 1.700 ( -1.602 1.926 2.348) 3.434 1.759 ( -0.752 -1.989 -1.943) 2.880 1.856 ( -1.279 2.969 -1.986) 3.794 1.875 ( 4.610 -0.635 -3.086) 5.584 1.910 ( -3.311 -0.183 -2.570) 4.195 1.953 ( -0.465 1.293 1.214) 1.834 1.995 ( 3.955 -1.417 -1.084) 4.339 2.022 ( -2.846 -0.771 1.791) 3.450 2.081 ( -1.895 -3.819 -1.825) 4.637 2.104 ( 0.393 -3.268 -1.711) 3.710 2.162 ( 0.387 -6.147 -1.735) 6.398 2.212 ( -1.147 -5.792 0.471) 5.923 2.277 ( -1.974 -3.055 -0.085) 3.638 2.357 ( -2.672 -1.133 -2.322) 3.717 2.405 ( -2.109 3.187 2.683) 4.670 2.498 ( 0.698 -2.690 1.268) 3.055 2.546 ( -0.843 -3.875 2.730) 4.815 2.613 ( 2.187 -1.664 0.784) 2.858 2.694 ( 0.523 0.895 0.570) 1.183 2.702 ( -2.259 0.259 0.284) 2.291 2.794 ( 0.632 0.867 1.264) 1.658 2.819 ( -1.016 -1.457 1.245) 2.170 2.964 ( 1.254 -2.676 -3.661) 4.705 2.976 ( -1.264 2.088 -2.188) 3.278 3.011 ( 0.191 -1.016 -0.524) 1.158 3.035 ( -1.080 -0.633 -1.049) 1.633 3.165 ( -1.062 0.995 -0.989) 1.760 3.185 ( 0.741 2.171 -0.864) 2.452 3.210 ( 1.306 4.619 0.739) 4.857 3.335 ( -1.751 -1.831 1.664) 3.031 3.370 ( 1.480 -1.538 0.873) 2.306 3.398 ( -0.920 0.570 1.816) 2.114 3.514 ( -0.400 -2.772 1.123) 3.018 3.552 ( -0.896 -1.735 -1.000) 2.193 3.558 ( 0.078 1.192 -2.647) 2.904 3.593 ( -0.420 -1.822 -1.267) 2.259 3.633 ( -0.111 -2.767 0.322) 2.788 3.647 ( 0.920 -2.485 -1.925) 3.275 3.739 ( 0.974 1.374 -0.612) 1.792 3.821 ( 0.869 0.955 -1.551) 2.018 3.875 ( 2.281 -1.025 -0.163) 2.506 3.884 ( -0.591 1.697 1.762) 2.517 3.914 ( -0.465 0.308 1.320) 1.434 3.937 ( 1.020 2.681 3.047) 4.185 3.968 ( -1.000 0.630 0.427) 1.256 4.005 ( -0.232 -0.276 1.864) 1.898 4.029 ( 0.708 1.170 1.338) 1.913 4.051 ( -1.693 0.133 0.159) 1.706 4.083 ( 1.358 1.912 3.245) 4.004 4.176 ( 1.341 1.395 -2.059) 2.826 4.238 ( 3.313 -2.074 0.113) 3.910 4.269 ( 0.008 1.134 1.006) 1.516 4.290 ( -2.513 -1.904 2.545) 4.052 4.360 ( -1.367 -0.688 -1.713) 2.297 4.372 ( 2.367 1.111 -0.131) 2.618 4.426 ( -0.726 -0.567 1.858) 2.073 4.434 ( 1.262 0.385 -2.984) 3.263 4.513 ( 0.670 -1.140 3.553) 3.791 4.543 ( 0.424 -2.496 2.973) 3.905 4.595 ( 2.249 -3.470 -3.228) 5.246 4.688 ( 0.713 1.797 0.714) 2.061 4.741 ( 1.955 0.389 0.974) 2.219 4.743 ( 2.314 3.752 -0.253) 4.415 4.820 ( 5.862 -0.394 0.502) 5.896 4.892 ( 1.499 2.384 -0.535) 2.867 4.951 ( 2.663 0.577 -0.515) 2.773 4.970 ( -0.953 2.958 -0.266) 3.120 5.046 ( 3.514 -0.709 2.689) 4.481 5.064 ( 1.245 0.693 -2.259) 2.671 5.106 ( 3.449 -0.218 -1.175) 3.650 5.138 ( 0.653 2.040 0.721) 2.260 5.209 ( 0.830 2.336 0.728) 2.584 5.235 ( -1.693 0.267 -0.857) 1.916 5.271 ( 1.853 -0.039 -1.417) 2.334 5.315 ( -0.899 -1.454 -3.024) 3.473 5.367 ( -1.845 -3.500 0.010) 3.956 5.543 ( 1.982 1.136 -0.589) 2.359 5.569 ( -4.262 0.477 0.798) 4.362 5.598 ( 0.295 -1.145 0.438) 1.261 5.646 ( -2.640 -2.864 -1.344) 4.120 5.771 ( -2.516 2.170 -0.451) 3.353 5.784 ( -2.270 1.934 0.920) 3.121 5.901 ( -3.340 0.812 1.552) 3.771 5.953 ( -2.171 -1.399 -1.883) 3.196 6.029 ( 0.788 0.839 2.982) 3.196 6.181 ( 2.564 -5.056 -2.929) 6.381 ======================= Grid point 70 (35/56) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -1.426 -10.511 7.883) 13.216 1.174 ( -1.426 10.511 7.883) 13.216 1.308 ( -0.550 -10.032 2.908) 10.459 1.308 ( -0.550 10.032 2.908) 10.459 1.383 ( 3.081 -1.898 1.733) 4.012 1.383 ( 3.081 1.898 1.733) 4.012 1.573 ( 0.864 -7.680 -3.707) 8.572 1.573 ( 0.864 7.680 -3.707) 8.572 1.643 ( -1.357 -2.353 -4.834) 5.545 1.643 ( -1.357 2.353 -4.834) 5.545 1.711 ( -1.195 -4.032 -2.499) 4.892 1.711 ( -1.195 4.032 -2.499) 4.892 1.818 ( 0.014 -7.837 -3.050) 8.409 1.818 ( 0.014 7.837 -3.050) 8.409 1.924 ( -1.290 -2.604 -2.797) 4.033 1.924 ( -1.290 2.604 -2.797) 4.033 2.030 ( -1.478 -1.992 -2.287) 3.374 2.030 ( -1.478 1.992 -2.287) 3.374 2.097 ( 0.559 -3.543 4.380) 5.661 2.097 ( 0.559 3.543 4.380) 5.661 2.166 ( 2.139 -0.802 0.482) 2.335 2.166 ( 2.139 0.802 0.482) 2.335 2.234 ( 0.532 -12.775 -1.047) 12.829 2.234 ( 0.532 12.775 -1.047) 12.829 2.458 ( 0.634 -4.729 5.288) 7.122 2.458 ( 0.634 4.729 5.288) 7.122 2.543 ( 0.351 -5.554 0.555) 5.593 2.543 ( 0.351 5.554 0.555) 5.593 2.720 ( -0.249 -1.327 1.240) 1.833 2.720 ( -0.249 1.327 1.240) 1.833 2.754 ( -1.124 -4.601 -0.512) 4.764 2.754 ( -1.124 4.601 -0.512) 4.764 2.973 ( 0.396 -2.173 -0.838) 2.363 2.973 ( 0.396 2.173 -0.838) 2.363 3.028 ( -0.344 -0.529 -4.853) 4.894 3.028 ( -0.344 0.529 -4.853) 4.894 3.157 ( -0.637 -3.020 0.711) 3.167 3.157 ( -0.637 3.020 0.711) 3.167 3.294 ( 0.068 -3.666 -1.906) 4.132 3.294 ( 0.068 3.666 -1.906) 4.132 3.365 ( 1.509 -2.489 0.742) 3.004 3.365 ( 1.509 2.489 0.742) 3.004 3.487 ( -1.146 -1.661 1.044) 2.272 3.487 ( -1.146 1.661 1.044) 2.272 3.580 ( -0.644 -0.274 0.788) 1.054 3.580 ( -0.644 0.274 0.788) 1.054 3.612 ( 0.732 -2.059 -2.198) 3.099 3.612 ( 0.732 2.059 -2.198) 3.099 3.818 ( -0.132 -2.726 -0.064) 2.730 3.818 ( -0.132 2.726 -0.064) 2.730 3.871 ( 1.122 -1.602 -0.137) 1.961 3.871 ( 1.122 1.602 -0.137) 1.961 3.935 ( -0.444 -2.023 0.651) 2.171 3.935 ( -0.444 2.023 0.651) 2.171 3.988 ( 0.081 -1.395 2.154) 2.567 3.988 ( 0.081 1.395 2.154) 2.567 4.074 ( -0.239 -2.901 1.166) 3.135 4.074 ( -0.239 2.901 1.166) 3.135 4.140 ( 1.530 -3.532 1.350) 4.079 4.140 ( 1.530 3.532 1.350) 4.079 4.245 ( -0.905 -1.223 -1.301) 2.002 4.245 ( -0.905 1.223 -1.301) 2.002 4.295 ( -1.449 -1.952 0.671) 2.521 4.295 ( -1.449 1.952 0.671) 2.521 4.422 ( -1.202 -1.551 -0.535) 2.034 4.422 ( -1.202 1.551 -0.535) 2.034 4.481 ( 0.797 -3.585 1.931) 4.149 4.481 ( 0.797 3.585 1.931) 4.149 4.557 ( 1.808 -3.770 1.731) 4.526 4.557 ( 1.808 3.770 1.731) 4.526 4.739 ( 0.791 -0.881 0.864) 1.466 4.739 ( 0.791 0.881 0.864) 1.466 4.851 ( 0.000 -2.028 2.221) 3.007 4.851 ( 0.000 2.028 2.221) 3.007 4.979 ( -1.162 -0.933 -2.387) 2.814 4.979 ( -1.162 0.933 -2.387) 2.814 5.008 ( -0.722 -0.382 -1.773) 1.952 5.008 ( -0.722 0.382 -1.773) 1.952 5.154 ( 0.288 -0.557 0.866) 1.069 5.154 ( 0.288 0.557 0.866) 1.069 5.200 ( -3.241 -1.750 -0.138) 3.686 5.200 ( -3.241 1.750 -0.138) 3.686 5.247 ( 1.658 -0.716 -0.977) 2.054 5.247 ( 1.658 0.716 -0.977) 2.054 5.311 ( 4.408 -1.655 -2.425) 5.297 5.311 ( 4.408 1.655 -2.425) 5.297 5.453 ( -2.843 -0.528 0.464) 2.929 5.453 ( -2.843 0.528 0.464) 2.929 5.678 ( -2.663 -0.529 0.522) 2.765 5.678 ( -2.663 0.529 0.522) 2.765 5.730 ( 2.920 -0.977 -1.206) 3.307 5.730 ( 2.920 0.977 -1.206) 3.307 5.940 ( 0.342 -1.930 -0.004) 1.960 5.940 ( 0.342 1.930 -0.004) 1.960 6.085 ( -0.395 -5.116 0.724) 5.182 6.085 ( -0.395 5.116 0.724) 5.182 ======================= Grid point 72 (36/56) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( -1.456 -7.498 5.434) 9.374 1.149 ( -1.456 7.498 5.434) 9.374 1.293 ( -0.267 -6.899 1.249) 7.017 1.293 ( -0.267 6.899 1.249) 7.017 1.497 ( 6.477 -4.031 4.280) 8.747 1.497 ( 6.477 4.031 4.280) 8.747 1.595 ( 1.377 -5.658 -1.789) 6.092 1.595 ( 1.377 5.658 -1.789) 6.092 1.655 ( 2.929 -4.319 -6.607) 8.419 1.655 ( 2.929 4.319 -6.607) 8.419 1.705 ( 0.124 -3.582 -0.366) 3.603 1.705 ( 0.124 3.582 -0.366) 3.603 1.825 ( 1.066 -6.419 -3.445) 7.362 1.825 ( 1.066 6.419 -3.445) 7.362 1.885 ( -1.928 -2.255 -3.755) 4.786 1.885 ( -1.928 2.255 -3.755) 4.786 1.979 ( -3.188 -1.348 -0.354) 3.479 1.979 ( -3.188 1.348 -0.354) 3.479 2.108 ( 0.296 -1.920 1.445) 2.422 2.108 ( 0.296 1.920 1.445) 2.422 2.189 ( 1.460 -3.490 -0.495) 3.815 2.189 ( 1.460 3.490 -0.495) 3.815 2.321 ( 5.812 -6.926 -0.343) 9.048 2.321 ( 5.812 6.926 -0.343) 9.048 2.465 ( -0.069 -3.512 5.966) 6.923 2.465 ( -0.069 3.512 5.966) 6.923 2.550 ( 0.613 -4.189 0.373) 4.250 2.550 ( 0.613 4.189 0.373) 4.250 2.712 ( 0.178 -2.703 0.960) 2.874 2.712 ( 0.178 2.703 0.960) 2.874 2.755 ( 1.191 -3.415 1.013) 3.755 2.755 ( 1.191 3.415 1.013) 3.755 2.943 ( -2.955 -1.667 -0.726) 3.469 2.943 ( -2.955 1.667 -0.726) 3.469 3.037 ( 0.869 -2.855 -5.020) 5.840 3.037 ( 0.869 2.855 -5.020) 5.840 3.162 ( 0.892 -3.479 0.600) 3.642 3.162 ( 0.892 3.479 0.600) 3.642 3.298 ( 0.069 -1.803 -0.394) 1.847 3.298 ( 0.069 1.803 -0.394) 1.847 3.414 ( 2.719 -1.491 0.053) 3.101 3.414 ( 2.719 1.491 0.053) 3.101 3.474 ( 0.106 -2.085 0.321) 2.113 3.474 ( 0.106 2.085 0.321) 2.113 3.566 ( -0.680 -1.355 -1.070) 1.855 3.566 ( -0.680 1.355 -1.070) 1.855 3.619 ( -0.057 -1.455 -0.911) 1.718 3.619 ( -0.057 1.455 -0.911) 1.718 3.797 ( -1.776 -1.075 -0.679) 2.184 3.797 ( -1.776 1.075 -0.679) 2.184 3.885 ( 0.518 -1.683 1.687) 2.439 3.885 ( 0.518 1.683 1.687) 2.439 3.942 ( 0.949 -3.763 -0.832) 3.969 3.942 ( 0.949 3.763 -0.832) 3.969 4.007 ( 1.434 -1.645 3.091) 3.784 4.007 ( 1.434 1.645 3.091) 3.784 4.082 ( 0.847 -2.111 1.017) 2.491 4.082 ( 0.847 2.111 1.017) 2.491 4.158 ( 0.314 -3.352 1.311) 3.613 4.158 ( 0.314 3.352 1.311) 3.613 4.211 ( -2.820 -1.262 -0.192) 3.095 4.211 ( -2.820 1.262 -0.192) 3.095 4.259 ( -1.409 -2.423 0.580) 2.862 4.259 ( -1.409 2.423 0.580) 2.862 4.390 ( -1.800 -1.526 -1.272) 2.681 4.390 ( -1.800 1.526 -1.272) 2.681 4.488 ( 0.020 -3.822 2.905) 4.801 4.488 ( 0.020 3.822 2.905) 4.801 4.585 ( 0.687 -4.006 -0.605) 4.110 4.585 ( 0.687 4.006 -0.605) 4.110 4.735 ( -2.192 -0.390 1.600) 2.742 4.735 ( -2.192 0.390 1.600) 2.742 4.823 ( -2.244 -0.621 1.133) 2.589 4.823 ( -2.244 0.621 1.133) 2.589 4.909 ( -3.706 -1.262 -3.372) 5.167 4.909 ( -3.706 1.262 -3.372) 5.167 4.986 ( -1.724 -2.803 -0.018) 3.291 4.986 ( -1.724 2.803 -0.018) 3.291 5.111 ( -2.943 -0.174 0.044) 2.949 5.111 ( -2.943 0.174 0.044) 2.949 5.148 ( -1.697 -2.452 0.463) 3.017 5.148 ( -1.697 2.452 0.463) 3.017 5.288 ( 2.112 -1.025 -0.845) 2.495 5.288 ( 2.112 1.025 -0.845) 2.495 5.356 ( -2.238 -1.367 -2.141) 3.385 5.356 ( -2.238 1.367 -2.141) 3.385 5.512 ( 4.939 -2.062 0.714) 5.400 5.512 ( 4.939 2.062 0.714) 5.400 5.595 ( 0.056 -0.169 0.052) 0.186 5.595 ( 0.056 0.169 0.052) 0.186 5.827 ( 3.433 -1.723 -0.723) 3.909 5.827 ( 3.433 1.723 -0.723) 3.909 5.946 ( 0.471 -3.281 -0.028) 3.314 5.946 ( 0.471 3.281 -0.028) 3.314 6.057 ( -1.783 -4.184 0.548) 4.581 6.057 ( -1.783 4.184 0.548) 4.581 ======================= Grid point 74 (37/56) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( -2.111 -5.339 -1.080) 5.842 1.110 ( -2.111 5.339 -1.080) 5.842 1.317 ( 2.577 -7.209 3.639) 8.477 1.317 ( 2.577 7.209 3.639) 8.477 1.545 ( -2.320 -2.196 5.578) 6.429 1.545 ( -2.320 2.196 5.578) 6.429 1.621 ( 2.564 -6.055 0.605) 6.603 1.621 ( 2.564 6.055 0.605) 6.603 1.709 ( 0.990 -3.168 -4.435) 5.540 1.709 ( 0.990 3.168 -4.435) 5.540 1.752 ( 4.148 -1.719 -2.569) 5.173 1.752 ( 4.148 1.719 -2.569) 5.173 1.833 ( -0.360 -3.449 -3.345) 4.818 1.833 ( -0.360 3.449 -3.345) 4.818 1.888 ( 1.927 -1.049 -4.176) 4.717 1.888 ( 1.927 1.049 -4.176) 4.717 1.929 ( -1.231 -4.466 -1.059) 4.753 1.929 ( -1.231 4.466 -1.059) 4.753 2.107 ( -0.854 -4.942 -2.736) 5.714 2.107 ( -0.854 4.942 -2.736) 5.714 2.236 ( 3.368 -2.564 2.199) 4.770 2.236 ( 3.368 2.564 2.199) 4.770 2.373 ( -0.952 -1.206 -0.875) 1.768 2.373 ( -0.952 1.206 -0.875) 1.768 2.486 ( 2.627 -2.344 5.938) 6.903 2.486 ( 2.627 2.344 5.938) 6.903 2.578 ( 2.423 -3.180 1.080) 4.142 2.578 ( 2.423 3.180 1.080) 4.142 2.742 ( 2.444 -1.272 3.092) 4.141 2.742 ( 2.444 1.272 3.092) 4.141 2.787 ( 1.651 -3.117 1.392) 3.792 2.787 ( 1.651 3.117 1.392) 3.792 2.872 ( -3.874 -1.135 -0.682) 4.094 2.872 ( -3.874 1.135 -0.682) 4.094 3.059 ( 1.408 -1.488 -4.913) 5.323 3.059 ( 1.408 1.488 -4.913) 5.323 3.186 ( 1.475 -1.046 -0.704) 1.941 3.186 ( 1.475 1.046 -0.704) 1.941 3.279 ( -1.791 -1.788 2.590) 3.621 3.279 ( -1.791 1.788 2.590) 3.621 3.449 ( 0.999 -2.291 -0.963) 2.679 3.449 ( 0.999 2.291 -0.963) 2.679 3.499 ( 1.794 -2.268 -0.534) 2.941 3.499 ( 1.794 2.268 -0.534) 2.941 3.553 ( -0.587 -1.721 -2.123) 2.795 3.553 ( -0.587 1.721 -2.123) 2.795 3.613 ( -0.486 -1.116 -1.030) 1.595 3.613 ( -0.486 1.116 -1.030) 1.595 3.756 ( -2.173 -0.677 -1.442) 2.694 3.756 ( -2.173 0.677 -1.442) 2.694 3.897 ( 0.594 -1.134 2.914) 3.183 3.897 ( 0.594 1.134 2.914) 3.183 3.966 ( 1.337 -2.837 1.417) 3.442 3.966 ( 1.337 2.837 1.417) 3.442 4.025 ( 0.370 -1.294 0.575) 1.463 4.025 ( 0.370 1.294 0.575) 1.463 4.071 ( -2.276 -2.014 3.455) 4.601 4.071 ( -2.276 2.014 3.455) 4.601 4.147 ( -1.800 -2.584 -3.109) 4.425 4.147 ( -1.800 2.584 -3.109) 4.425 4.184 ( 1.296 -2.563 2.472) 3.789 4.184 ( 1.296 2.563 2.472) 3.789 4.257 ( 1.150 -3.539 0.418) 3.744 4.257 ( 1.150 3.539 0.418) 3.744 4.365 ( -0.610 -0.224 0.031) 0.650 4.365 ( -0.610 0.224 0.031) 0.650 4.486 ( -0.117 -3.764 2.858) 4.727 4.486 ( -0.117 3.764 2.858) 4.727 4.570 ( -2.467 -3.414 -2.460) 4.878 4.570 ( -2.467 3.414 -2.460) 4.878 4.658 ( -3.850 -0.105 0.794) 3.932 4.658 ( -3.850 0.105 0.794) 3.932 4.796 ( -1.314 -2.697 -2.093) 3.658 4.796 ( -1.314 2.697 -2.093) 3.658 4.864 ( -1.005 -0.846 -1.377) 1.904 4.864 ( -1.005 0.846 -1.377) 1.904 4.958 ( -0.745 -2.455 0.684) 2.655 4.958 ( -0.745 2.455 0.684) 2.655 5.076 ( -1.219 -2.262 -0.157) 2.575 5.076 ( -1.219 2.262 -0.157) 2.575 5.113 ( -1.225 -0.730 0.856) 1.663 5.113 ( -1.225 0.730 0.856) 1.663 5.279 ( -2.308 -1.802 -1.575) 3.325 5.279 ( -2.308 1.802 -1.575) 3.325 5.359 ( 2.433 -2.714 0.626) 3.698 5.359 ( 2.433 2.714 0.626) 3.698 5.482 ( -2.766 -1.007 -0.163) 2.948 5.482 ( -2.766 1.007 -0.163) 2.948 5.699 ( 3.916 -3.559 0.645) 5.330 5.699 ( 3.916 3.559 0.645) 5.330 5.843 ( -0.975 -2.420 -0.873) 2.751 5.843 ( -0.975 2.420 -0.873) 2.751 5.951 ( 0.754 -3.592 0.938) 3.788 5.951 ( 0.754 3.592 0.938) 3.788 6.058 ( 1.470 -1.868 -0.936) 2.555 6.058 ( 1.470 1.868 -0.936) 2.555 ======================= Grid point 76 (38/56) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.973 -2.601 -3.980) 4.853 1.095 ( 0.973 2.601 -3.980) 4.853 1.354 ( -0.310 -6.866 5.144) 8.585 1.354 ( -0.310 6.866 5.144) 8.585 1.497 ( -0.588 -2.379 5.454) 5.979 1.497 ( -0.588 2.379 5.454) 5.979 1.656 ( -0.420 -3.972 1.365) 4.221 1.656 ( -0.420 3.972 1.365) 4.221 1.693 ( -1.556 -5.358 -3.943) 6.832 1.693 ( -1.556 5.358 -3.943) 6.832 1.795 ( -0.223 -0.560 -0.845) 1.038 1.795 ( -0.223 0.560 -0.845) 1.038 1.849 ( 3.337 -3.315 -5.808) 7.474 1.849 ( 3.337 3.315 -5.808) 7.474 1.919 ( -0.050 -4.848 -1.230) 5.002 1.919 ( -0.050 4.848 -1.230) 5.002 1.942 ( 2.353 -1.740 -3.344) 4.443 1.942 ( 2.353 1.740 -3.344) 4.443 2.068 ( -2.873 -4.981 -4.531) 7.321 2.068 ( -2.873 4.981 -4.531) 7.321 2.282 ( 0.737 -3.280 2.065) 3.945 2.282 ( 0.737 3.280 2.065) 3.945 2.349 ( -0.693 -2.897 0.181) 2.984 2.349 ( -0.693 2.897 0.181) 2.984 2.512 ( -0.531 -0.773 5.710) 5.786 2.512 ( -0.531 0.773 5.710) 5.786 2.620 ( -0.019 -3.905 1.828) 4.312 2.620 ( -0.019 3.905 1.828) 4.312 2.740 ( -2.300 -4.636 3.596) 6.302 2.740 ( -2.300 4.636 3.596) 6.302 2.805 ( 1.300 -2.074 1.483) 2.862 2.805 ( 1.300 2.074 1.483) 2.862 2.850 ( 0.647 -0.483 -1.311) 1.540 2.850 ( 0.647 0.483 -1.311) 1.540 3.083 ( 0.774 -0.820 -4.540) 4.678 3.083 ( 0.774 0.820 -4.540) 4.678 3.198 ( -0.349 -1.612 -1.310) 2.106 3.198 ( -0.349 1.612 -1.310) 2.106 3.272 ( 1.385 -3.370 4.218) 5.574 3.272 ( 1.385 3.370 4.218) 5.574 3.455 ( -0.537 -2.499 -1.273) 2.856 3.455 ( -0.537 2.499 -1.273) 2.856 3.496 ( -1.246 -3.267 -1.545) 3.822 3.496 ( -1.246 3.267 -1.545) 3.822 3.560 ( 0.705 -0.713 -2.015) 2.250 3.560 ( 0.705 0.713 -2.015) 2.250 3.615 ( 0.792 -0.575 -1.382) 1.693 3.615 ( 0.792 0.575 -1.382) 1.693 3.726 ( -0.661 -1.263 -1.409) 2.004 3.726 ( -0.661 1.263 -1.409) 2.004 3.899 ( -0.450 -1.287 3.468) 3.727 3.899 ( -0.450 1.287 3.468) 3.727 3.987 ( 0.722 -1.623 3.380) 3.819 3.987 ( 0.722 1.623 3.380) 3.819 4.013 ( -1.726 -2.142 1.008) 2.930 4.013 ( -1.726 2.142 1.008) 2.930 4.040 ( -0.203 -0.763 1.205) 1.440 4.040 ( -0.203 0.763 1.205) 1.440 4.122 ( -0.689 -2.629 -2.286) 3.552 4.122 ( -0.689 2.629 -2.286) 3.552 4.210 ( 1.050 -3.764 -0.649) 3.962 4.210 ( 1.050 3.764 -0.649) 3.962 4.297 ( 2.421 -3.456 2.488) 4.898 4.297 ( 2.421 3.456 2.488) 4.898 4.369 ( 1.024 -0.500 1.859) 2.180 4.369 ( 1.024 0.500 1.859) 2.180 4.472 ( -2.126 -2.116 0.455) 3.034 4.472 ( -2.126 2.116 0.455) 3.034 4.515 ( -1.707 -3.912 -1.167) 4.425 4.515 ( -1.707 3.912 -1.167) 4.425 4.630 ( 1.101 -1.770 0.191) 2.093 4.630 ( 1.101 1.770 0.191) 2.093 4.768 ( -1.333 -2.510 -3.628) 4.609 4.768 ( -1.333 2.510 -3.628) 4.609 4.862 ( 0.576 -0.757 -1.882) 2.109 4.862 ( 0.576 0.757 -1.882) 2.109 4.957 ( 0.543 -2.593 1.588) 3.088 4.957 ( 0.543 2.593 1.588) 3.088 5.058 ( -0.427 -3.016 -0.302) 3.061 5.058 ( -0.427 3.016 -0.302) 3.061 5.117 ( 1.368 -0.350 1.220) 1.866 5.117 ( 1.368 0.350 1.220) 1.866 5.254 ( -0.098 -1.252 -1.375) 1.862 5.254 ( -0.098 1.252 -1.375) 1.862 5.385 ( -0.566 -2.274 1.567) 2.819 5.385 ( -0.566 2.274 1.567) 2.819 5.455 ( 0.324 -1.188 -0.871) 1.508 5.455 ( 0.324 1.188 -0.871) 1.508 5.722 ( 0.203 -2.752 1.260) 3.034 5.722 ( 0.203 2.752 1.260) 3.034 5.824 ( -0.598 -2.476 -0.854) 2.686 5.824 ( -0.598 2.476 -0.854) 2.686 5.971 ( -0.088 -0.574 0.901) 1.072 5.971 ( -0.088 0.574 0.901) 1.072 6.077 ( 0.311 -2.016 -1.506) 2.536 6.077 ( 0.311 2.016 -1.506) 2.536 ======================= Grid point 80 (39/56) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 3.723 -3.313 -1.973) 5.360 1.146 ( 3.723 3.313 -1.973) 5.360 1.306 ( -3.150 -8.459 4.771) 10.210 1.306 ( -3.150 8.459 4.771) 10.210 1.505 ( -1.135 -8.349 5.065) 9.831 1.505 ( -1.135 8.349 5.065) 9.831 1.612 ( -2.373 -1.960 -0.805) 3.181 1.612 ( -2.373 1.960 -0.805) 3.181 1.667 ( -1.254 -4.487 -3.711) 5.957 1.667 ( -1.254 4.487 -3.711) 5.957 1.796 ( 0.387 -3.593 -1.758) 4.018 1.796 ( 0.387 3.593 -1.758) 4.018 1.895 ( -3.006 -0.905 -3.462) 4.673 1.895 ( -3.006 0.905 -3.462) 4.673 1.915 ( 2.112 -1.837 -4.628) 5.409 1.915 ( 2.112 1.837 -4.628) 5.409 1.957 ( 0.219 -5.630 0.154) 5.636 1.957 ( 0.219 5.630 0.154) 5.636 2.036 ( 0.636 -4.305 -3.152) 5.374 2.036 ( 0.636 4.305 -3.152) 5.374 2.257 ( -3.467 -6.325 2.476) 7.626 2.257 ( -3.467 6.325 2.476) 7.626 2.335 ( -1.368 -4.902 -1.334) 5.261 2.335 ( -1.368 4.902 -1.334) 5.261 2.478 ( -2.141 -1.652 5.427) 6.063 2.478 ( -2.141 1.652 5.427) 6.063 2.563 ( -3.150 -1.805 1.947) 4.120 2.563 ( -3.150 1.805 1.947) 4.120 2.737 ( 0.257 -4.672 1.727) 4.988 2.737 ( 0.257 4.672 1.727) 4.988 2.794 ( -1.807 -2.402 2.630) 3.994 2.794 ( -1.807 2.402 2.630) 3.994 2.879 ( 2.445 -1.137 -0.873) 2.834 2.879 ( 2.445 1.137 -0.873) 2.834 3.085 ( -0.590 -0.171 -5.032) 5.069 3.085 ( -0.590 0.171 -5.032) 5.069 3.189 ( -0.565 -1.828 -1.053) 2.184 3.189 ( -0.565 1.828 -1.053) 2.184 3.293 ( 0.281 -2.473 3.163) 4.025 3.293 ( 0.281 2.473 3.163) 4.025 3.427 ( -2.192 -3.990 -1.001) 4.661 3.427 ( -2.192 3.990 -1.001) 4.661 3.493 ( 0.802 -2.788 0.065) 2.902 3.493 ( 0.802 2.788 0.065) 2.902 3.570 ( 0.358 -0.056 -3.250) 3.270 3.570 ( 0.358 0.056 -3.250) 3.270 3.619 ( -0.436 -1.315 -0.786) 1.593 3.619 ( -0.436 1.315 -0.786) 1.593 3.740 ( 1.986 -2.109 -0.871) 3.025 3.740 ( 1.986 2.109 -0.871) 3.025 3.883 ( -1.112 -1.895 1.932) 2.925 3.883 ( -1.112 1.895 1.932) 2.925 3.973 ( -1.596 -1.613 1.815) 2.906 3.973 ( -1.596 1.613 1.815) 2.906 4.011 ( 1.129 -1.033 2.466) 2.902 4.011 ( 1.129 1.033 2.466) 2.902 4.051 ( 0.917 -0.627 1.781) 2.099 4.051 ( 0.917 0.627 1.781) 2.099 4.110 ( -0.494 -3.547 -0.880) 3.688 4.110 ( -0.494 3.547 -0.880) 3.688 4.234 ( 1.508 -5.153 -1.392) 5.547 4.234 ( 1.508 5.153 -1.392) 5.547 4.319 ( -0.627 -1.849 1.846) 2.687 4.319 ( -0.627 1.849 1.846) 2.687 4.399 ( 1.786 -1.509 2.492) 3.418 4.399 ( 1.786 1.509 2.492) 3.418 4.435 ( -0.129 -1.885 -1.493) 2.408 4.435 ( -0.129 1.885 -1.493) 2.408 4.513 ( 0.695 -2.286 1.035) 2.604 4.513 ( 0.695 2.286 1.035) 2.604 4.680 ( 3.161 -1.493 0.731) 3.571 4.680 ( 3.161 1.493 0.731) 3.571 4.756 ( 0.784 -2.166 -3.726) 4.380 4.756 ( 0.784 2.166 -3.726) 4.380 4.889 ( 2.118 -0.436 -1.603) 2.692 4.889 ( 2.118 0.436 -1.603) 2.692 4.984 ( 2.364 -1.806 2.192) 3.695 4.984 ( 2.364 1.806 2.192) 3.695 5.054 ( -0.037 -2.747 -0.809) 2.863 5.054 ( -0.037 2.747 -0.809) 2.863 5.154 ( 2.205 -1.344 0.761) 2.692 5.154 ( 2.205 1.344 0.761) 2.692 5.271 ( 1.433 -1.485 -1.725) 2.690 5.271 ( 1.433 1.485 -1.725) 2.690 5.345 ( -2.956 -2.151 0.553) 3.698 5.345 ( -2.956 2.151 0.553) 3.698 5.490 ( 3.319 -1.013 -0.103) 3.472 5.490 ( 3.319 1.013 -0.103) 3.472 5.712 ( -3.284 -0.755 1.011) 3.518 5.712 ( -3.284 0.755 1.011) 3.518 5.822 ( 0.653 -0.234 -1.264) 1.442 5.822 ( 0.653 0.234 -1.264) 1.442 5.942 ( -1.869 -1.279 0.819) 2.408 5.942 ( -1.869 1.279 0.819) 2.408 6.072 ( -0.627 -2.707 -0.780) 2.886 6.072 ( -0.627 2.707 -0.780) 2.886 ======================= Grid point 82 (40/56) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.111 -6.776 6.431) 9.342 1.194 ( 0.111 6.776 6.431) 9.342 1.282 ( 1.484 -2.983 1.065) 3.498 1.282 ( 1.484 2.983 1.065) 3.498 1.428 ( -5.488 -10.085 1.739) 11.613 1.428 ( -5.488 10.085 1.739) 11.613 1.575 ( -1.329 -7.769 -2.127) 8.164 1.575 ( -1.329 7.769 -2.127) 8.164 1.660 ( -0.075 -3.663 -2.274) 4.313 1.660 ( -0.075 3.663 -2.274) 4.313 1.780 ( -4.729 -4.970 -3.557) 7.728 1.780 ( -4.729 4.970 -3.557) 7.728 1.817 ( -0.766 -7.359 -3.803) 8.319 1.817 ( -0.766 7.359 -3.803) 8.319 1.927 ( 0.442 -4.492 -3.084) 5.467 1.927 ( 0.442 4.492 -3.084) 5.467 2.008 ( 2.981 -3.323 -0.101) 4.465 2.008 ( 2.981 3.323 -0.101) 4.465 2.072 ( 2.621 -4.048 0.466) 4.845 2.072 ( 2.621 4.048 0.466) 4.845 2.174 ( -4.025 -4.468 1.317) 6.156 2.174 ( -4.025 4.468 1.317) 6.156 2.283 ( -3.677 -9.929 -0.808) 10.619 2.283 ( -3.677 9.929 -0.808) 10.619 2.453 ( -0.417 -3.729 5.107) 6.337 2.453 ( -0.417 3.729 5.107) 6.337 2.538 ( -0.011 -4.903 1.160) 5.038 2.538 ( -0.011 4.903 1.160) 5.038 2.727 ( -0.734 -3.889 0.557) 3.997 2.727 ( -0.734 3.889 0.557) 3.997 2.773 ( -0.651 -4.212 1.302) 4.457 2.773 ( -0.651 4.212 1.302) 4.457 2.933 ( 2.935 -2.338 -0.072) 3.753 2.933 ( 2.935 2.338 -0.072) 3.753 3.057 ( -2.063 -1.177 -5.211) 5.727 3.057 ( -2.063 1.177 -5.211) 5.727 3.176 ( -0.862 -1.799 -0.750) 2.131 3.176 ( -0.862 1.799 -0.750) 2.131 3.292 ( -0.006 -2.366 0.370) 2.394 3.292 ( -0.006 2.366 0.370) 2.394 3.377 ( -2.399 -1.561 0.350) 2.884 3.377 ( -2.399 1.561 0.350) 2.884 3.505 ( -0.253 -2.183 1.461) 2.639 3.505 ( -0.253 2.183 1.461) 2.639 3.577 ( 0.710 -1.698 -2.527) 3.126 3.577 ( 0.710 1.698 -2.527) 3.126 3.609 ( -0.496 -1.530 -0.705) 1.756 3.609 ( -0.496 1.530 -0.705) 1.756 3.789 ( 2.698 -3.067 -0.654) 4.136 3.789 ( 2.698 3.067 -0.654) 4.136 3.864 ( -0.603 -1.350 0.511) 1.564 3.864 ( -0.603 1.350 0.511) 1.564 3.950 ( -0.823 -1.005 2.333) 2.670 3.950 ( -0.823 1.005 2.333) 2.670 4.006 ( -1.538 -1.641 1.215) 2.556 4.006 ( -1.538 1.641 1.215) 2.556 4.074 ( 1.050 -2.280 1.296) 2.824 4.074 ( 1.050 2.280 1.296) 2.824 4.112 ( 0.744 -5.548 0.954) 5.679 4.112 ( 0.744 5.548 0.954) 5.679 4.253 ( 0.135 -2.831 -0.742) 2.930 4.253 ( 0.135 2.831 -0.742) 2.930 4.305 ( -0.067 -1.968 -0.626) 2.066 4.305 ( -0.067 1.968 -0.626) 2.066 4.427 ( 0.778 -1.634 1.273) 2.212 4.427 ( 0.778 1.634 1.273) 2.212 4.457 ( 1.562 -3.060 0.736) 3.513 4.457 ( 1.562 3.060 0.736) 3.513 4.529 ( 1.024 -1.819 2.080) 2.947 4.529 ( 1.024 1.819 2.080) 2.947 4.719 ( 1.202 -1.269 0.230) 1.763 4.719 ( 1.202 1.269 0.230) 1.763 4.814 ( 3.863 -1.187 -0.606) 4.086 4.814 ( 3.863 1.187 -0.606) 4.086 4.938 ( 3.117 -1.787 -1.858) 4.045 4.938 ( 3.117 1.787 -1.858) 4.045 5.021 ( 0.160 -1.656 1.210) 2.057 5.021 ( 0.160 1.656 1.210) 2.057 5.086 ( 4.479 -1.363 -0.736) 4.739 5.086 ( 4.479 1.363 -0.736) 4.739 5.187 ( 0.934 -2.121 0.627) 2.401 5.187 ( 0.934 2.121 0.627) 2.401 5.278 ( -1.362 -1.255 -1.293) 2.259 5.278 ( -1.362 1.255 -1.293) 2.259 5.304 ( -0.823 -1.950 -1.458) 2.571 5.304 ( -0.823 1.950 -1.458) 2.571 5.563 ( -2.994 -0.953 0.273) 3.153 5.563 ( -2.994 0.953 0.273) 3.153 5.595 ( 0.030 -1.462 0.036) 1.462 5.595 ( 0.030 1.462 0.036) 1.462 5.808 ( -3.670 -0.702 -0.880) 3.839 5.808 ( -3.670 0.702 -0.880) 3.839 5.928 ( 0.525 -1.273 0.236) 1.397 5.928 ( 0.525 1.273 0.236) 1.397 6.073 ( 0.971 -4.109 0.390) 4.240 6.073 ( 0.971 4.109 0.390) 4.240 ======================= Grid point 98 (41/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 0.472 0.000 -15.864) 15.871 0.754 ( -0.472 0.000 15.864) 15.871 0.792 ( 1.819 0.000 -18.599) 18.687 0.792 ( -1.819 0.000 18.599) 18.687 1.196 ( -1.430 0.000 -20.116) 20.166 1.196 ( 1.430 0.000 20.116) 20.166 1.520 ( 0.949 0.000 -6.623) 6.691 1.520 ( -0.949 0.000 6.623) 6.691 1.663 ( 6.842 0.000 -8.535) 10.939 1.663 ( -6.842 0.000 8.535) 10.939 1.826 ( -1.741 0.000 -2.092) 2.721 1.826 ( 1.741 0.000 2.092) 2.721 1.877 ( -4.634 0.000 0.845) 4.710 1.877 ( 4.634 0.000 -0.845) 4.710 1.958 ( -4.166 0.000 -5.766) 7.113 1.958 ( 4.166 0.000 5.766) 7.113 2.029 ( -4.725 0.000 1.574) 4.980 2.029 ( 4.725 0.000 -1.574) 4.980 2.117 ( -1.414 0.000 -7.429) 7.562 2.117 ( 1.414 0.000 7.429) 7.562 2.282 ( -2.879 0.000 -2.308) 3.690 2.282 ( 2.879 0.000 2.308) 3.690 2.377 ( -1.706 0.000 -0.807) 1.887 2.377 ( 1.706 0.000 0.807) 1.887 2.534 ( -0.214 0.000 -0.236) 0.319 2.534 ( 0.214 0.000 0.236) 0.319 2.655 ( 1.960 0.000 -1.457) 2.442 2.655 ( -1.960 0.000 1.457) 2.442 2.729 ( 0.135 0.000 -1.141) 1.149 2.729 ( -0.135 0.000 1.141) 1.149 2.809 ( -4.221 0.000 -3.776) 5.663 2.809 ( 4.221 0.000 3.776) 5.663 2.916 ( 0.050 0.000 -0.224) 0.230 2.916 ( -0.050 0.000 0.224) 0.230 2.995 ( 1.494 0.000 -3.780) 4.065 2.995 ( -1.494 0.000 3.780) 4.065 3.121 ( 0.318 0.000 -2.558) 2.577 3.121 ( -0.318 0.000 2.558) 2.577 3.268 ( -1.694 0.000 -4.399) 4.714 3.268 ( 1.694 0.000 4.399) 4.714 3.506 ( -3.464 0.000 -0.260) 3.474 3.506 ( 3.464 0.000 0.260) 3.474 3.563 ( -0.400 0.000 -0.085) 0.409 3.563 ( 0.400 0.000 0.085) 0.409 3.648 ( 0.299 0.000 -4.715) 4.724 3.648 ( -0.299 0.000 4.715) 4.724 3.699 ( -1.143 0.000 -1.414) 1.818 3.699 ( 1.143 0.000 1.414) 1.818 3.756 ( 1.030 0.000 -3.370) 3.524 3.756 ( -1.030 0.000 3.370) 3.524 3.829 ( 1.759 0.000 -3.582) 3.990 3.829 ( -1.759 0.000 3.582) 3.990 3.908 ( -0.953 0.000 -0.712) 1.190 3.908 ( 0.953 0.000 0.712) 1.190 3.946 ( -0.543 0.000 -1.304) 1.413 3.946 ( 0.543 0.000 1.304) 1.413 4.063 ( 0.196 0.000 -2.958) 2.965 4.063 ( -0.196 0.000 2.958) 2.965 4.128 ( -1.189 0.000 0.071) 1.191 4.128 ( 1.189 0.000 -0.071) 1.191 4.287 ( -0.266 0.000 -6.417) 6.422 4.287 ( 0.266 0.000 6.417) 6.422 4.336 ( -0.212 0.000 -0.960) 0.983 4.336 ( 0.212 0.000 0.960) 0.983 4.435 ( -2.010 0.000 -0.995) 2.243 4.435 ( 2.010 0.000 0.995) 2.243 4.509 ( -0.601 0.000 -3.616) 3.666 4.509 ( 0.601 0.000 3.616) 3.666 4.555 ( -1.322 0.000 -0.496) 1.412 4.555 ( 1.322 0.000 0.496) 1.412 4.683 ( -4.403 0.000 -0.211) 4.408 4.683 ( 4.403 0.000 0.211) 4.408 4.798 ( 0.070 0.000 -2.010) 2.011 4.798 ( -0.070 0.000 2.010) 2.011 4.895 ( 2.626 0.000 -1.963) 3.279 4.895 ( -2.626 0.000 1.963) 3.279 5.002 ( -1.228 0.000 -4.726) 4.883 5.002 ( 1.228 0.000 4.726) 4.883 5.116 ( -2.542 0.000 0.617) 2.615 5.116 ( 2.542 0.000 -0.617) 2.615 5.178 ( -0.015 0.000 -3.445) 3.445 5.178 ( 0.015 0.000 3.445) 3.445 5.231 ( 4.210 0.000 -1.557) 4.489 5.231 ( -4.210 0.000 1.557) 4.489 5.391 ( -10.564 0.000 1.675) 10.696 5.391 ( 10.564 0.000 -1.675) 10.696 5.528 ( -0.352 0.000 -1.344) 1.390 5.528 ( 0.352 0.000 1.344) 1.390 5.656 ( -0.482 0.000 -0.735) 0.879 5.656 ( 0.482 0.000 0.735) 0.879 5.786 ( -1.314 0.000 -4.783) 4.960 5.786 ( 1.314 0.000 4.783) 4.960 5.873 ( -2.101 0.000 -0.648) 2.199 5.873 ( 2.101 0.000 0.648) 2.199 6.069 ( -2.285 0.000 -0.713) 2.393 6.069 ( 2.285 0.000 0.713) 2.393 ======================= Grid point 100 (42/56) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -0.737 0.000 10.109) 10.136 0.733 ( 1.941 0.000 -9.377) 9.576 0.898 ( 8.957 0.000 -9.399) 12.983 0.903 ( 8.016 0.000 7.659) 11.087 1.337 ( 7.846 0.000 -12.056) 14.384 1.386 ( 10.282 0.000 16.213) 19.198 1.446 ( -3.637 0.000 3.921) 5.348 1.498 ( 0.834 0.000 -2.196) 2.349 1.593 ( 1.769 0.000 8.894) 9.068 1.751 ( -0.953 0.000 -1.403) 1.697 1.789 ( -4.186 0.000 -8.544) 9.514 1.827 ( 2.441 0.000 -4.467) 5.091 1.853 ( -3.164 0.000 -0.959) 3.306 1.931 ( 2.720 0.000 -1.241) 2.990 1.936 ( 1.781 0.000 -5.555) 5.834 1.990 ( 4.552 0.000 2.366) 5.130 2.047 ( 3.525 0.000 5.844) 6.825 2.089 ( 0.409 0.000 -7.001) 7.013 2.115 ( 2.709 0.000 -5.087) 5.764 2.134 ( 0.091 0.000 7.697) 7.698 2.223 ( -1.266 0.000 0.038) 1.267 2.312 ( 0.405 0.000 2.284) 2.320 2.346 ( -1.198 0.000 2.715) 2.968 2.396 ( 1.531 0.000 6.142) 6.330 2.568 ( 2.415 0.000 0.049) 2.415 2.609 ( 6.495 0.000 -1.329) 6.630 2.616 ( -1.736 0.000 1.862) 2.545 2.661 ( -3.767 0.000 -3.916) 5.434 2.714 ( 0.518 0.000 -1.990) 2.056 2.746 ( 2.053 0.000 -2.969) 3.610 2.755 ( -0.389 0.000 0.075) 0.397 2.854 ( 0.299 0.000 1.940) 1.963 2.916 ( -0.424 0.000 0.392) 0.577 2.920 ( 0.286 0.000 0.458) 0.539 2.979 ( -0.033 0.000 5.241) 5.241 3.017 ( 0.104 0.000 -1.571) 1.575 3.108 ( -1.108 0.000 4.176) 4.320 3.129 ( 0.642 0.000 0.039) 0.644 3.210 ( -4.210 0.000 -5.624) 7.026 3.276 ( -1.062 0.000 0.762) 1.308 3.388 ( -7.484 0.000 -0.696) 7.516 3.519 ( -0.931 0.000 1.081) 1.426 3.559 ( -0.306 0.000 0.742) 0.803 3.565 ( -1.312 0.000 0.152) 1.321 3.649 ( 0.416 0.000 3.059) 3.087 3.655 ( 0.370 0.000 -4.867) 4.881 3.682 ( -0.717 0.000 -1.650) 1.799 3.705 ( -0.844 0.000 0.444) 0.954 3.733 ( -0.944 0.000 3.427) 3.554 3.766 ( 0.196 0.000 -5.141) 5.145 3.809 ( -0.389 0.000 3.293) 3.316 3.855 ( 0.092 0.000 -3.313) 3.315 3.895 ( -0.194 0.000 0.488) 0.525 3.915 ( -0.658 0.000 -0.003) 0.658 3.957 ( 1.707 0.000 -2.638) 3.142 3.977 ( 2.713 0.000 4.308) 5.091 4.052 ( -1.082 0.000 1.514) 1.861 4.065 ( 0.126 0.000 -3.954) 3.956 4.099 ( -1.978 0.000 1.224) 2.326 4.142 ( -0.251 0.000 1.655) 1.674 4.226 ( -4.400 0.000 -5.634) 7.148 4.243 ( -3.654 0.000 5.349) 6.478 4.328 ( -1.560 0.000 0.271) 1.583 4.335 ( -0.487 0.000 -1.866) 1.929 4.388 ( -0.640 0.000 1.024) 1.207 4.412 ( -2.320 0.000 0.687) 2.419 4.525 ( -1.313 0.000 -1.448) 1.955 4.526 ( 0.734 0.000 -0.777) 1.069 4.559 ( -1.221 0.000 0.462) 1.306 4.575 ( 4.066 0.000 2.822) 4.949 4.609 ( -2.025 0.000 -2.586) 3.285 4.726 ( 0.619 0.000 0.443) 0.761 4.808 ( -2.883 0.000 1.768) 3.382 4.818 ( 1.615 0.000 -0.664) 1.746 4.848 ( 1.216 0.000 0.163) 1.227 4.915 ( -0.655 0.000 0.601) 0.889 4.979 ( -1.260 0.000 -5.104) 5.257 5.014 ( -1.309 0.000 0.584) 1.433 5.069 ( -1.652 0.000 1.451) 2.198 5.100 ( -3.668 0.000 1.140) 3.841 5.113 ( -3.592 0.000 0.673) 3.654 5.169 ( 2.966 0.000 -2.095) 3.631 5.205 ( -1.202 0.000 -3.794) 3.980 5.222 ( -3.587 0.000 2.067) 4.140 5.344 ( 1.904 0.000 -0.855) 2.087 5.490 ( -3.655 0.000 -0.089) 3.656 5.528 ( 0.339 0.000 2.171) 2.197 5.542 ( -0.633 0.000 -1.035) 1.213 5.613 ( 0.342 0.000 -1.033) 1.088 5.632 ( -1.898 0.000 1.022) 2.156 5.827 ( 5.146 0.000 -4.900) 7.106 5.832 ( 3.058 0.000 5.019) 5.877 5.900 ( 3.291 0.000 0.052) 3.291 5.965 ( 5.028 0.000 0.765) 5.085 6.047 ( 1.310 0.000 -2.502) 2.824 6.111 ( 2.429 0.000 4.140) 4.800 ======================= Grid point 102 (43/56) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 7.042 0.000 5.314) 8.822 0.839 ( 8.071 0.000 -5.476) 9.753 1.086 ( 10.129 0.000 7.684) 12.714 1.093 ( 10.052 0.000 -9.697) 13.966 1.217 ( -10.177 0.000 1.353) 10.267 1.305 ( -8.749 0.000 3.929) 9.590 1.503 ( 2.126 0.000 7.441) 7.739 1.610 ( -4.571 0.000 0.408) 4.590 1.681 ( -5.713 0.000 -9.269) 10.888 1.704 ( -6.677 0.000 -0.422) 6.690 1.790 ( 10.613 0.000 -1.762) 10.758 1.792 ( 10.895 0.000 3.340) 11.395 1.948 ( 5.723 0.000 1.405) 5.892 1.974 ( 3.031 0.000 -6.085) 6.798 1.994 ( 2.713 0.000 -3.924) 4.770 2.030 ( -2.053 0.000 -1.948) 2.830 2.093 ( 0.575 0.000 -4.818) 4.852 2.122 ( 2.136 0.000 4.999) 5.436 2.147 ( 5.454 0.000 5.122) 7.482 2.182 ( 3.539 0.000 -4.771) 5.941 2.280 ( 3.597 0.000 -0.378) 3.616 2.307 ( -1.080 0.000 6.708) 6.795 2.329 ( 1.033 0.000 8.569) 8.631 2.466 ( 4.679 0.000 -0.356) 4.692 2.563 ( -4.282 0.000 -6.876) 8.100 2.604 ( 0.614 0.000 4.554) 4.595 2.614 ( 2.721 0.000 -1.937) 3.340 2.730 ( 0.295 0.000 -0.040) 0.297 2.735 ( 5.108 0.000 1.544) 5.337 2.777 ( 2.939 0.000 -0.888) 3.070 2.789 ( 1.209 0.000 -4.291) 4.458 2.849 ( -0.105 0.000 -1.184) 1.188 2.885 ( -3.133 0.000 2.140) 3.794 2.915 ( -1.045 0.000 0.532) 1.173 2.979 ( -0.649 0.000 4.992) 5.034 2.991 ( -2.373 0.000 0.691) 2.471 3.092 ( 0.188 0.000 3.213) 3.218 3.122 ( -4.269 0.000 -3.490) 5.514 3.141 ( 0.109 0.000 -0.595) 0.605 3.188 ( -7.722 0.000 -4.760) 9.071 3.291 ( -1.548 0.000 1.308) 2.027 3.455 ( -6.656 0.000 1.419) 6.806 3.530 ( -0.645 0.000 0.256) 0.694 3.550 ( -0.648 0.000 0.410) 0.767 3.656 ( -0.416 0.000 -0.691) 0.807 3.658 ( 0.261 0.000 -1.141) 1.171 3.672 ( 0.026 0.000 -3.644) 3.645 3.689 ( -0.507 0.000 3.298) 3.337 3.726 ( 0.175 0.000 2.253) 2.260 3.767 ( -0.340 0.000 -4.489) 4.501 3.811 ( 0.481 0.000 4.135) 4.163 3.829 ( -1.746 0.000 -1.418) 2.249 3.897 ( -0.318 0.000 0.831) 0.890 3.913 ( 1.548 0.000 -2.240) 2.723 3.976 ( -0.138 0.000 -3.124) 3.127 4.024 ( -1.537 0.000 2.150) 2.643 4.035 ( 2.569 0.000 7.049) 7.503 4.064 ( -0.885 0.000 -4.800) 4.881 4.076 ( 0.741 0.000 -2.286) 2.403 4.109 ( -2.513 0.000 2.755) 3.729 4.168 ( -1.778 0.000 -4.047) 4.421 4.184 ( -2.443 0.000 3.739) 4.466 4.294 ( -1.492 0.000 -0.261) 1.514 4.310 ( -1.814 0.000 -0.996) 2.069 4.382 ( -0.556 0.000 -0.698) 0.893 4.397 ( 0.590 0.000 1.841) 1.934 4.505 ( -0.462 0.000 -1.305) 1.385 4.525 ( -1.492 0.000 -2.363) 2.794 4.532 ( 0.030 0.000 1.260) 1.260 4.581 ( -1.567 0.000 -1.118) 1.925 4.645 ( 2.894 0.000 2.789) 4.019 4.735 ( -2.863 0.000 0.261) 2.875 4.747 ( 1.621 0.000 -0.571) 1.719 4.836 ( -0.957 0.000 0.694) 1.182 4.885 ( 1.495 0.000 -0.560) 1.596 4.894 ( 0.045 0.000 1.776) 1.776 4.950 ( -1.647 0.000 -3.152) 3.556 4.956 ( -3.031 0.000 0.611) 3.092 5.061 ( -0.236 0.000 -0.223) 0.325 5.062 ( -0.722 0.000 -0.342) 0.799 5.094 ( 1.032 0.000 4.201) 4.326 5.161 ( -2.532 0.000 -5.581) 6.129 5.178 ( -0.574 0.000 -0.425) 0.714 5.241 ( 3.972 0.000 -2.274) 4.577 5.353 ( -0.696 0.000 0.430) 0.818 5.367 ( -7.798 0.000 3.096) 8.390 5.516 ( -0.373 0.000 -1.518) 1.563 5.544 ( 0.893 0.000 2.180) 2.356 5.584 ( -2.629 0.000 1.261) 2.916 5.611 ( -1.186 0.000 -0.749) 1.403 5.883 ( 0.818 0.000 -0.918) 1.230 5.887 ( 1.812 0.000 2.433) 3.033 5.990 ( 4.767 0.000 -3.958) 6.196 6.025 ( 1.766 0.000 2.769) 3.284 6.120 ( 4.767 0.000 -5.781) 7.492 6.168 ( 2.659 0.000 6.034) 6.594 ======================= Grid point 104 (44/56) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 5.595 0.000 -3.491) 6.595 0.915 ( -5.595 0.000 3.491) 6.595 1.115 ( 4.770 0.000 -5.425) 7.224 1.115 ( -4.770 0.000 5.425) 7.224 1.236 ( -2.114 0.000 -4.163) 4.669 1.236 ( 2.114 0.000 4.163) 4.669 1.528 ( -0.648 0.000 -4.281) 4.330 1.528 ( 0.648 0.000 4.281) 4.330 1.602 ( -0.809 0.000 -7.434) 7.478 1.602 ( 0.809 0.000 7.434) 7.478 1.934 ( -3.332 0.000 -3.430) 4.782 1.934 ( 3.332 0.000 3.430) 4.782 1.953 ( -5.668 0.000 -3.570) 6.699 1.953 ( 5.668 0.000 3.570) 6.699 2.034 ( -0.643 0.000 -2.838) 2.910 2.034 ( 0.643 0.000 2.838) 2.910 2.140 ( 0.874 0.000 -4.733) 4.814 2.140 ( -0.874 0.000 4.733) 4.814 2.244 ( -2.173 0.000 -2.566) 3.362 2.244 ( 2.173 0.000 2.566) 3.362 2.263 ( 2.571 0.000 -1.004) 2.760 2.263 ( -2.571 0.000 1.004) 2.760 2.430 ( -5.797 0.000 -9.297) 10.956 2.430 ( 5.797 0.000 9.297) 10.956 2.591 ( 2.909 0.000 -4.487) 5.348 2.591 ( -2.909 0.000 4.487) 5.348 2.702 ( 4.974 0.000 -4.582) 6.763 2.702 ( -4.974 0.000 4.582) 6.763 2.802 ( -3.833 0.000 -3.209) 4.998 2.802 ( 3.833 0.000 3.209) 4.998 2.807 ( 1.519 0.000 -3.789) 4.082 2.807 ( -1.519 0.000 3.789) 4.082 2.866 ( -3.889 0.000 0.954) 4.004 2.866 ( 3.889 0.000 -0.954) 4.004 2.971 ( 0.094 0.000 -0.455) 0.465 2.971 ( -0.094 0.000 0.455) 0.465 3.077 ( -1.326 0.000 -2.626) 2.942 3.077 ( 1.326 0.000 2.626) 2.942 3.126 ( -2.137 0.000 -1.597) 2.668 3.126 ( 2.137 0.000 1.597) 2.668 3.325 ( -5.211 0.000 0.171) 5.214 3.325 ( 5.211 0.000 -0.171) 5.214 3.534 ( -0.799 0.000 -0.360) 0.876 3.534 ( 0.799 0.000 0.360) 0.876 3.654 ( -0.388 0.000 -2.126) 2.161 3.654 ( 0.388 0.000 2.126) 2.161 3.679 ( 0.540 0.000 -3.941) 3.978 3.679 ( -0.540 0.000 3.941) 3.978 3.745 ( -1.587 0.000 -2.467) 2.933 3.745 ( 1.587 0.000 2.467) 2.933 3.814 ( 0.037 0.000 -3.537) 3.537 3.814 ( -0.037 0.000 3.537) 3.537 3.919 ( -1.554 0.000 -1.212) 1.971 3.919 ( 1.554 0.000 1.212) 1.971 3.986 ( 1.810 0.000 -4.050) 4.436 3.986 ( -1.810 0.000 4.050) 4.436 4.061 ( 0.458 0.000 -6.868) 6.883 4.061 ( -0.458 0.000 6.868) 6.883 4.082 ( -0.189 0.000 -3.627) 3.632 4.082 ( 0.189 0.000 3.627) 3.632 4.153 ( 0.481 0.000 -3.102) 3.139 4.153 ( -0.481 0.000 3.102) 3.139 4.284 ( -0.555 0.000 0.048) 0.557 4.284 ( 0.555 0.000 -0.048) 0.557 4.389 ( 1.020 0.000 -1.441) 1.765 4.389 ( -1.020 0.000 1.441) 1.765 4.508 ( -0.424 0.000 -1.521) 1.580 4.508 ( 0.424 0.000 1.521) 1.580 4.545 ( -1.656 0.000 -0.753) 1.819 4.545 ( 1.656 0.000 0.753) 1.819 4.690 ( -1.996 0.000 -2.048) 2.860 4.690 ( 1.996 0.000 2.048) 2.860 4.793 ( -2.671 0.000 0.769) 2.779 4.793 ( 2.671 0.000 -0.769) 2.779 4.906 ( 0.621 0.000 -2.810) 2.877 4.906 ( -0.621 0.000 2.810) 2.877 4.923 ( -0.637 0.000 0.043) 0.639 4.923 ( 0.637 0.000 -0.043) 0.639 5.058 ( 0.068 0.000 -0.953) 0.956 5.058 ( -0.068 0.000 0.953) 0.956 5.118 ( -1.592 0.000 -7.079) 7.256 5.118 ( 1.592 0.000 7.079) 7.256 5.228 ( 5.634 0.000 -4.363) 7.126 5.228 ( -5.634 0.000 4.363) 7.126 5.316 ( 3.135 0.000 -1.807) 3.619 5.316 ( -3.135 0.000 1.807) 3.619 5.527 ( 1.534 0.000 -1.582) 2.204 5.527 ( -1.534 0.000 1.582) 2.204 5.582 ( -1.544 0.000 -1.177) 1.942 5.582 ( 1.544 0.000 1.177) 1.942 5.895 ( 0.448 0.000 -1.394) 1.464 5.895 ( -0.448 0.000 1.394) 1.464 6.041 ( 0.557 0.000 -3.875) 3.915 6.041 ( -0.557 0.000 3.875) 3.915 6.183 ( 1.347 0.000 -6.180) 6.325 6.183 ( -1.347 0.000 6.180) 6.325 ======================= Grid point 110 (45/56) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.856 ( 2.093 9.383 -13.345) 16.447 0.856 ( -2.093 9.383 13.345) 16.447 0.907 ( -1.045 9.875 -14.984) 17.976 0.907 ( 1.045 9.875 14.984) 17.976 1.338 ( -0.491 10.584 -13.986) 17.546 1.338 ( 0.491 10.584 13.986) 17.546 1.500 ( -1.324 -1.472 -5.135) 5.504 1.500 ( 1.325 -1.472 5.135) 5.504 1.638 ( 4.758 -1.199 -5.302) 7.224 1.638 ( -4.758 -1.199 5.302) 7.224 1.798 ( -1.534 -2.715 -2.487) 3.988 1.798 ( 1.534 -2.715 2.487) 3.988 1.886 ( 2.846 -0.274 -7.130) 7.682 1.886 ( -2.846 -0.274 7.130) 7.682 1.914 ( -4.045 -1.531 -2.435) 4.964 1.914 ( 4.045 -1.531 2.435) 4.964 2.063 ( -1.616 -1.578 -8.201) 8.506 2.063 ( 1.616 -1.578 8.201) 8.506 2.094 ( -0.087 0.208 -1.327) 1.346 2.094 ( 0.087 0.208 1.327) 1.346 2.235 ( -3.775 -3.983 -2.272) 5.939 2.235 ( 3.775 -3.983 2.272) 5.939 2.332 ( 1.874 -3.178 -1.823) 4.115 2.332 ( -1.874 -3.178 1.823) 4.115 2.490 ( -0.857 -2.850 -5.050) 5.862 2.490 ( 0.857 -2.850 5.050) 5.862 2.638 ( -0.938 -1.844 -1.950) 2.843 2.638 ( 0.938 -1.844 1.950) 2.843 2.710 ( 1.378 -0.677 -1.508) 2.152 2.710 ( -1.378 -0.677 1.508) 2.152 2.821 ( -0.769 0.756 -2.270) 2.513 2.821 ( 0.769 0.756 2.270) 2.513 2.916 ( -1.370 0.785 -1.601) 2.249 2.916 ( 1.370 0.785 1.601) 2.249 3.029 ( 1.480 1.162 -3.715) 4.165 3.029 ( -1.480 1.162 3.715) 4.165 3.108 ( -0.828 -0.697 -1.243) 1.648 3.108 ( 0.828 -0.697 1.243) 1.648 3.322 ( -1.812 3.935 -5.025) 6.635 3.322 ( 1.812 3.935 5.025) 6.635 3.441 ( -0.445 -4.183 -0.550) 4.242 3.441 ( 0.445 -4.183 0.550) 4.242 3.564 ( -1.560 -3.436 -0.957) 3.893 3.564 ( 1.560 -3.436 0.957) 3.893 3.621 ( 0.407 -2.326 -3.355) 4.102 3.621 ( -0.407 -2.326 3.355) 4.102 3.665 ( 0.678 0.567 -1.382) 1.640 3.665 ( -0.678 0.567 1.382) 1.640 3.726 ( -0.628 -0.024 -2.114) 2.205 3.726 ( 0.628 -0.024 2.114) 2.205 3.880 ( -0.177 0.832 -1.204) 1.474 3.880 ( 0.177 0.832 1.204) 1.474 3.924 ( 2.045 1.644 -2.880) 3.897 3.924 ( -2.045 1.644 2.880) 3.897 3.981 ( -1.327 2.060 -3.615) 4.367 3.981 ( 1.327 2.060 3.615) 4.367 4.067 ( 0.898 -0.011 -0.578) 1.068 4.067 ( -0.898 -0.011 0.578) 1.068 4.123 ( -1.731 -0.626 -2.882) 3.420 4.123 ( 1.731 -0.626 2.882) 3.420 4.261 ( -0.135 0.605 -4.737) 4.777 4.261 ( 0.135 0.605 4.737) 4.777 4.369 ( -2.758 -3.186 -0.615) 4.258 4.369 ( 2.758 -3.186 0.615) 4.258 4.395 ( 0.303 0.859 -1.677) 1.909 4.395 ( -0.303 0.859 1.677) 1.909 4.504 ( -1.401 -0.986 -2.106) 2.715 4.504 ( 1.401 -0.986 2.106) 2.715 4.584 ( 0.841 2.882 -2.396) 3.841 4.584 ( -0.841 2.882 2.396) 3.841 4.682 ( -3.440 0.680 -0.581) 3.554 4.682 ( 3.440 0.680 0.581) 3.554 4.834 ( -0.948 1.796 -1.391) 2.461 4.834 ( 0.948 1.796 1.391) 2.461 4.912 ( 2.520 1.606 -1.737) 3.456 4.912 ( -2.520 1.606 1.737) 3.456 4.994 ( -2.021 -1.264 -1.204) 2.671 4.994 ( 2.021 -1.264 1.204) 2.671 5.098 ( -0.302 0.225 -0.686) 0.782 5.098 ( 0.302 0.225 0.686) 0.782 5.188 ( 0.189 0.357 -2.466) 2.499 5.188 ( -0.189 0.357 2.466) 2.499 5.234 ( 1.769 0.311 -1.584) 2.395 5.234 ( -1.769 0.311 1.584) 2.395 5.359 ( -5.206 -2.695 0.191) 5.866 5.359 ( 5.206 -2.695 -0.191) 5.866 5.527 ( 0.684 -0.793 -0.703) 1.261 5.527 ( -0.684 -0.793 0.703) 1.261 5.644 ( -1.927 0.101 -0.741) 2.066 5.644 ( 1.927 0.101 0.741) 2.066 5.752 ( 0.166 -1.844 -1.950) 2.689 5.752 ( -0.166 -1.844 1.950) 2.689 5.870 ( -0.797 0.421 -2.199) 2.377 5.870 ( 0.797 0.421 2.199) 2.377 6.126 ( -0.618 2.437 -5.907) 6.420 6.126 ( 0.618 2.437 5.907) 6.420 ======================= Grid point 112 (46/56) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( -0.933 10.063 8.555) 13.241 0.860 ( 1.364 10.824 -7.031) 12.979 0.957 ( 6.299 5.916 -6.525) 10.829 1.007 ( 7.065 9.249 2.990) 12.016 1.385 ( -5.055 0.192 0.446) 5.078 1.465 ( 3.398 5.156 -1.215) 6.293 1.488 ( 1.305 3.733 1.600) 4.266 1.519 ( 12.150 5.587 8.737) 15.974 1.589 ( 1.895 -0.070 4.243) 4.648 1.707 ( -0.340 -3.426 -4.261) 5.479 1.768 ( -2.230 0.746 -1.559) 2.821 1.804 ( -0.042 -2.290 -0.959) 2.483 1.866 ( 2.683 -2.227 -0.459) 3.517 1.895 ( 2.640 -2.501 -4.833) 6.048 1.936 ( -1.626 -0.645 -4.332) 4.672 2.019 ( 3.128 0.036 0.858) 3.244 2.020 ( 2.322 -0.883 -3.409) 4.218 2.083 ( 1.348 -2.725 3.526) 4.655 2.087 ( 0.036 -0.881 -2.204) 2.374 2.108 ( -0.186 -0.373 0.930) 1.019 2.169 ( -0.131 -4.072 1.055) 4.208 2.282 ( -1.319 -4.013 3.300) 5.361 2.355 ( 5.572 -3.798 3.151) 7.443 2.367 ( 1.657 1.021 1.019) 2.197 2.481 ( 0.666 -2.423 -0.730) 2.617 2.543 ( 2.502 -5.914 0.597) 6.449 2.595 ( -1.157 -2.323 -0.025) 2.596 2.654 ( -2.859 0.108 -1.207) 3.105 2.679 ( 1.515 -2.044 0.198) 2.552 2.747 ( 1.792 0.100 -1.989) 2.679 2.792 ( -0.760 -0.378 0.071) 0.852 2.830 ( -0.486 2.118 -2.189) 3.085 2.905 ( -0.527 0.379 1.208) 1.371 2.932 ( 0.625 -0.739 2.591) 2.766 3.035 ( 2.210 4.443 2.680) 5.640 3.073 ( -1.536 -3.481 0.331) 3.819 3.087 ( 2.154 1.151 -0.446) 2.482 3.116 ( -0.263 1.061 1.215) 1.634 3.252 ( -5.118 2.579 -5.956) 8.265 3.330 ( -1.042 4.934 2.030) 5.436 3.372 ( -4.936 -1.519 -0.154) 5.167 3.460 ( -0.393 -2.174 0.144) 2.214 3.517 ( -2.011 -4.145 -0.146) 4.610 3.592 ( -0.061 -2.118 0.912) 2.307 3.618 ( 0.842 -3.083 2.250) 3.909 3.637 ( 0.736 -2.435 -3.060) 3.980 3.656 ( 0.471 1.901 0.496) 2.020 3.668 ( -0.766 -1.074 -0.328) 1.359 3.727 ( 0.467 -1.384 -0.589) 1.575 3.735 ( 0.106 0.218 0.947) 0.978 3.857 ( -1.814 2.999 0.904) 3.620 3.885 ( -0.730 0.122 -0.468) 0.876 3.911 ( 1.094 -0.599 1.445) 1.909 3.947 ( -1.420 3.962 -4.277) 6.001 3.965 ( 1.471 0.452 -2.654) 3.068 4.006 ( 1.252 1.433 3.209) 3.731 4.046 ( -1.272 0.194 0.221) 1.306 4.079 ( -0.247 1.380 -1.140) 1.807 4.094 ( -0.558 -1.311 0.026) 1.425 4.148 ( 0.530 -0.766 1.486) 1.754 4.207 ( -3.269 1.603 -0.615) 3.692 4.245 ( -2.798 1.411 1.206) 3.358 4.326 ( -1.452 -1.999 -0.306) 2.489 4.383 ( -0.517 2.779 0.142) 2.831 4.389 ( -0.962 0.630 -1.526) 1.911 4.416 ( 0.948 -2.263 -0.104) 2.456 4.484 ( -0.479 -3.108 0.696) 3.221 4.523 ( -3.188 0.829 1.655) 3.687 4.531 ( 0.358 -0.869 0.597) 1.113 4.596 ( -0.164 2.725 -1.732) 3.233 4.622 ( -0.899 1.331 -0.058) 1.607 4.752 ( 1.596 0.278 -1.094) 1.955 4.803 ( -4.586 -2.209 -0.046) 5.090 4.818 ( -0.803 0.471 -0.718) 1.176 4.865 ( 0.192 2.195 1.433) 2.628 4.924 ( -1.491 0.851 1.212) 2.101 4.959 ( -1.273 -1.493 -1.072) 2.236 5.020 ( -2.394 1.367 -0.792) 2.868 5.067 ( -1.152 0.396 -0.510) 1.321 5.093 ( -0.452 -0.752 -0.493) 1.007 5.133 ( -0.468 1.814 0.767) 2.025 5.147 ( -1.887 -0.956 0.287) 2.135 5.224 ( -1.207 1.208 -1.333) 2.166 5.241 ( -2.051 0.544 0.427) 2.165 5.327 ( 2.486 -1.094 -0.911) 2.865 5.444 ( -1.488 -3.131 0.660) 3.529 5.527 ( -0.187 -0.791 -0.448) 0.928 5.551 ( -2.974 0.798 0.187) 3.084 5.626 ( -0.001 1.381 0.418) 1.443 5.639 ( 3.581 -0.306 0.162) 3.598 5.751 ( 4.503 -3.181 0.795) 5.570 5.832 ( 3.119 -0.461 -1.801) 3.631 5.889 ( 2.325 -0.125 2.114) 3.145 5.956 ( 6.351 -1.255 0.485) 6.492 6.090 ( -1.501 2.153 -4.125) 4.889 6.132 ( -0.163 0.539 4.114) 4.152 ======================= Grid point 114 (47/56) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 3.943 6.752 5.792) 9.731 0.921 ( 4.059 6.929 -5.291) 9.616 1.095 ( 7.319 2.962 -2.178) 8.190 1.181 ( 9.888 6.921 -0.508) 12.080 1.245 ( -6.870 2.512 -0.437) 7.327 1.371 ( -6.062 6.228 5.309) 10.184 1.528 ( -0.240 2.545 6.327) 6.824 1.612 ( -4.343 -1.558 -3.686) 5.906 1.657 ( -4.566 2.101 2.136) 5.461 1.724 ( 0.389 -0.911 -2.598) 2.780 1.784 ( 6.695 0.731 -1.092) 6.823 1.861 ( 1.619 0.759 -3.699) 4.108 1.893 ( 6.782 -3.794 3.400) 8.483 1.922 ( 0.510 -4.742 -1.028) 4.879 1.948 ( 2.319 -3.419 -3.643) 5.508 2.006 ( -1.650 -3.277 -3.512) 5.079 2.077 ( 0.108 -0.425 -0.819) 0.929 2.097 ( 1.708 -0.000 0.954) 1.957 2.132 ( 5.539 -1.646 0.423) 5.794 2.191 ( 6.022 0.903 -1.753) 6.336 2.236 ( 4.504 -2.484 0.855) 5.213 2.267 ( 1.179 -4.643 5.013) 6.934 2.397 ( 1.563 5.047 4.117) 6.698 2.454 ( 3.791 -5.172 1.483) 6.582 2.497 ( -0.261 -3.280 -0.083) 3.291 2.563 ( 1.026 -3.163 -3.007) 4.483 2.574 ( -1.113 -1.622 0.008) 1.967 2.649 ( 2.233 -3.353 -0.919) 4.133 2.719 ( 2.704 -1.389 0.138) 3.043 2.784 ( 2.042 0.115 -3.050) 3.672 2.799 ( 1.502 -0.018 2.053) 2.543 2.825 ( -0.293 1.202 -1.101) 1.657 2.885 ( -0.624 -0.459 1.688) 1.857 2.938 ( -0.808 2.241 1.950) 3.079 3.009 ( -3.825 -1.076 2.187) 4.536 3.068 ( -2.428 -3.033 0.173) 3.889 3.101 ( 2.096 6.544 1.185) 6.973 3.130 ( -0.647 0.453 -0.948) 1.234 3.151 ( -3.496 2.028 -3.189) 5.148 3.230 ( -7.279 3.892 -3.826) 9.098 3.329 ( -0.170 4.545 2.488) 5.184 3.427 ( -3.553 -1.475 1.198) 4.029 3.488 ( -0.162 -2.347 -0.077) 2.354 3.566 ( -2.092 0.133 -0.248) 2.111 3.629 ( -0.435 -3.144 1.079) 3.352 3.635 ( -0.749 -2.411 0.480) 2.570 3.669 ( 1.392 -0.468 -0.982) 1.767 3.683 ( 1.447 -0.772 -0.673) 1.773 3.727 ( 0.287 -0.151 1.900) 1.927 3.743 ( 0.272 -1.164 -1.398) 1.839 3.823 ( -1.069 1.808 1.488) 2.574 3.871 ( -1.240 1.706 -1.993) 2.902 3.911 ( -1.033 2.076 -2.576) 3.466 3.928 ( -0.151 0.829 1.575) 1.786 3.989 ( 0.628 1.303 -2.710) 3.072 4.021 ( -1.328 1.181 1.304) 2.205 4.028 ( 1.027 -0.229 3.956) 4.094 4.058 ( -0.206 0.128 -3.956) 3.963 4.111 ( 1.302 0.443 1.914) 2.357 4.144 ( -0.727 -1.359 0.640) 1.669 4.166 ( -0.950 4.001 -2.235) 4.680 4.192 ( -2.396 2.765 1.009) 3.795 4.316 ( 0.476 -1.746 -0.039) 1.810 4.359 ( -1.686 1.153 -1.260) 2.400 4.367 ( -1.280 4.031 1.030) 4.353 4.399 ( -2.255 -0.554 -0.428) 2.361 4.468 ( -0.672 -3.421 -0.200) 3.493 4.484 ( -0.426 -1.939 0.058) 1.986 4.553 ( 0.802 -0.300 0.892) 1.237 4.586 ( -0.852 2.016 0.304) 2.210 4.629 ( 1.247 -1.068 1.015) 1.930 4.707 ( -3.843 -3.077 -1.511) 5.150 4.759 ( 0.594 0.337 -1.722) 1.852 4.843 ( 1.664 -3.475 -1.213) 4.039 4.859 ( -2.552 1.148 1.362) 3.112 4.885 ( -0.330 -0.594 0.920) 1.144 4.930 ( -2.462 -0.369 3.296) 4.130 4.945 ( -2.692 0.166 -1.629) 3.151 5.062 ( 0.181 0.555 -1.646) 1.746 5.093 ( -0.367 1.434 0.104) 1.484 5.129 ( -0.848 -0.744 2.149) 2.427 5.140 ( 0.376 1.720 -0.720) 1.902 5.194 ( -0.236 1.191 -3.390) 3.601 5.248 ( 2.267 0.072 -0.994) 2.476 5.338 ( -1.011 -0.547 0.808) 1.405 5.377 ( -4.819 0.430 1.599) 5.096 5.494 ( -0.875 -1.118 0.563) 1.527 5.520 ( -1.208 -1.794 -0.976) 2.373 5.611 ( -0.313 2.639 1.502) 3.052 5.667 ( -1.403 3.625 0.287) 3.898 5.849 ( 3.427 -2.918 -0.208) 4.505 5.877 ( 0.749 -0.633 -0.756) 1.238 5.954 ( 4.934 -2.039 1.686) 5.599 6.044 ( 1.109 0.270 -0.421) 1.217 6.096 ( 3.034 -1.923 -5.340) 6.435 6.147 ( 1.471 -1.869 4.935) 5.478 ======================= Grid point 116 (48/56) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.643 2.008 -1.359) 2.929 0.937 ( 1.643 2.008 1.359) 2.929 1.173 ( 1.829 5.297 -7.010) 8.975 1.173 ( -1.829 5.297 7.010) 8.975 1.313 ( 0.712 7.159 -4.950) 8.733 1.313 ( -0.712 7.159 4.950) 8.733 1.519 ( -2.689 0.749 -2.382) 3.670 1.519 ( 2.689 0.749 2.382) 3.670 1.642 ( -3.418 1.942 -5.726) 6.945 1.642 ( 3.418 1.942 5.726) 6.945 1.889 ( -2.666 -3.553 -0.891) 4.531 1.889 ( 2.666 -3.553 0.891) 4.531 1.921 ( 2.731 -4.894 -4.736) 7.338 1.921 ( -2.731 -4.894 4.736) 7.338 1.986 ( 0.356 -3.354 -2.429) 4.156 1.986 ( -0.356 -3.354 2.429) 4.156 2.112 ( -0.214 -1.032 -0.171) 1.068 2.112 ( 0.214 -1.032 0.171) 1.068 2.214 ( 0.142 -1.416 -3.827) 4.083 2.214 ( -0.142 -1.416 3.827) 4.083 2.307 ( -2.232 1.151 -0.372) 2.539 2.307 ( 2.232 1.151 0.372) 2.539 2.438 ( -3.768 -3.161 -3.702) 6.156 2.438 ( 3.768 -3.161 3.702) 6.156 2.525 ( -0.803 -0.406 -2.313) 2.481 2.525 ( 0.803 -0.406 2.313) 2.481 2.647 ( -0.041 -3.834 -5.454) 6.666 2.647 ( 0.041 -3.834 5.454) 6.666 2.775 ( 0.087 -1.770 -4.959) 5.266 2.775 ( -0.087 -1.770 4.959) 5.266 2.836 ( -0.543 0.465 -2.497) 2.597 2.836 ( 0.543 0.465 2.497) 2.597 2.889 ( 3.138 4.105 -1.277) 5.322 2.889 ( -3.138 4.105 1.277) 5.322 2.996 ( -3.408 -2.067 -0.433) 4.010 2.996 ( 3.408 -2.067 0.433) 4.010 3.103 ( -1.187 1.608 -0.522) 2.066 3.103 ( 1.187 1.608 0.522) 2.066 3.149 ( -1.174 4.306 -3.224) 5.506 3.149 ( 1.174 4.306 3.224) 5.506 3.354 ( -2.901 2.755 -0.351) 4.016 3.354 ( 2.901 2.755 0.351) 4.016 3.517 ( -1.874 -0.911 -1.851) 2.787 3.517 ( 1.874 -0.911 1.851) 2.787 3.626 ( -0.579 -2.925 -0.862) 3.104 3.626 ( 0.579 -2.925 0.862) 3.104 3.688 ( -0.539 -0.359 -2.024) 2.125 3.688 ( 0.539 -0.359 2.024) 2.125 3.741 ( -0.332 -0.448 -2.835) 2.889 3.741 ( 0.332 -0.448 2.835) 2.889 3.833 ( -1.973 1.153 -1.680) 2.836 3.833 ( 1.973 1.153 1.680) 2.836 3.915 ( 0.660 1.727 -2.696) 3.269 3.915 ( -0.660 1.727 2.696) 3.269 3.999 ( 0.754 1.979 -3.182) 3.822 3.999 ( -0.754 1.979 3.182) 3.822 4.053 ( -0.593 -1.141 -6.289) 6.419 4.053 ( 0.593 -1.141 6.289) 6.419 4.130 ( -0.651 -0.267 -1.127) 1.329 4.130 ( 0.651 -0.267 1.127) 1.329 4.160 ( 0.058 4.344 -5.823) 7.265 4.160 ( -0.058 4.344 5.823) 7.265 4.334 ( 0.575 1.458 -1.734) 2.338 4.334 ( -0.575 1.458 1.734) 2.338 4.360 ( -0.075 -0.126 -1.601) 1.608 4.360 ( 0.075 -0.126 1.601) 1.608 4.472 ( 0.237 -2.732 -2.284) 3.569 4.472 ( -0.237 -2.732 2.284) 3.569 4.567 ( 0.352 1.425 -0.596) 1.584 4.567 ( -0.352 1.425 0.596) 1.584 4.658 ( -1.548 -3.016 -2.494) 4.209 4.658 ( 1.548 -3.016 2.494) 4.209 4.795 ( 2.962 -0.742 -2.078) 3.694 4.795 ( -2.962 -0.742 2.078) 3.694 4.875 ( 0.215 -1.937 -0.592) 2.036 4.875 ( -0.215 -1.937 0.592) 2.036 4.911 ( -0.688 -0.131 -3.863) 3.926 4.911 ( 0.688 -0.131 3.863) 3.926 5.075 ( 1.090 0.777 -1.604) 2.089 5.075 ( -1.090 0.777 1.604) 2.089 5.127 ( 0.064 0.444 -5.561) 5.579 5.127 ( -0.064 0.444 5.561) 5.579 5.246 ( 2.097 1.175 -2.601) 3.542 5.246 ( -2.097 1.175 2.601) 3.542 5.319 ( -1.049 0.742 -1.944) 2.330 5.319 ( 1.049 0.742 1.944) 2.330 5.496 ( -0.815 -1.745 -0.725) 2.057 5.496 ( 0.815 -1.745 0.725) 2.057 5.627 ( -1.225 3.088 -0.833) 3.425 5.627 ( 1.225 3.088 0.833) 3.425 5.880 ( 0.235 -1.374 -1.915) 2.369 5.880 ( -0.235 -1.374 1.915) 2.369 6.028 ( -0.932 -1.127 -3.206) 3.524 6.028 ( 0.932 -1.127 3.206) 3.524 6.152 ( 1.389 -2.688 -5.213) 6.027 6.152 ( -1.389 -2.688 5.213) 6.027 ======================= Grid point 122 (49/56) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 1.229 12.317 -8.151) 14.821 1.102 ( -1.229 12.317 8.151) 14.821 1.163 ( -2.978 13.109 -8.760) 16.045 1.163 ( 2.978 13.109 8.760) 16.045 1.429 ( -4.865 -1.827 -4.038) 6.581 1.429 ( 4.865 -1.827 4.038) 6.581 1.559 ( 0.001 4.345 -3.899) 5.838 1.559 ( -0.001 4.345 3.899) 5.838 1.633 ( -0.289 0.589 -3.930) 3.984 1.633 ( 0.289 0.589 3.930) 3.984 1.694 ( -0.988 -7.683 -5.099) 9.274 1.694 ( 0.988 -7.683 5.099) 9.274 1.847 ( -2.060 -2.661 -1.503) 3.685 1.847 ( 2.060 -2.661 1.503) 3.685 1.910 ( -3.249 -2.826 0.774) 4.375 1.910 ( 3.249 -2.826 -0.774) 4.375 2.005 ( 1.544 1.786 -2.050) 3.127 2.005 ( -1.544 1.786 2.050) 3.127 2.096 ( -1.823 0.010 -1.964) 2.680 2.096 ( 1.823 0.010 1.964) 2.680 2.169 ( -1.942 -1.612 -0.849) 2.663 2.169 ( 1.942 -1.612 0.849) 2.663 2.264 ( 1.122 -2.581 -3.020) 4.128 2.264 ( -1.122 -2.581 3.020) 4.128 2.477 ( -0.519 1.386 -4.248) 4.499 2.477 ( 0.519 1.386 4.248) 4.499 2.598 ( -0.300 -1.778 -2.921) 3.433 2.598 ( 0.300 -1.778 2.921) 3.433 2.700 ( 1.332 0.056 -1.967) 2.376 2.700 ( -1.332 0.056 1.967) 2.376 2.819 ( -2.579 -1.707 -1.521) 3.446 2.819 ( 2.579 -1.707 1.521) 3.446 2.934 ( -0.621 0.806 -0.245) 1.047 2.934 ( 0.621 0.806 0.245) 1.047 3.015 ( -3.193 -2.357 -1.093) 4.117 3.015 ( 3.193 -2.357 1.093) 4.117 3.124 ( 1.404 2.247 -1.573) 3.082 3.124 ( -1.404 2.247 1.573) 3.082 3.340 ( -3.102 -4.558 -1.277) 5.660 3.340 ( 3.102 -4.558 1.277) 5.660 3.377 ( -0.851 0.143 -2.383) 2.534 3.377 ( 0.851 0.143 2.383) 2.534 3.517 ( 1.213 -0.626 -1.830) 2.283 3.517 ( -1.213 -0.626 1.830) 2.283 3.567 ( 0.159 -1.445 -1.707) 2.242 3.567 ( -0.159 -1.445 1.707) 2.242 3.639 ( 1.351 -2.330 -1.272) 2.979 3.639 ( -1.351 -2.330 1.272) 2.979 3.772 ( -0.675 2.785 -2.337) 3.698 3.772 ( 0.675 2.785 2.337) 3.698 3.892 ( 1.185 -1.115 -1.420) 2.159 3.892 ( -1.185 -1.115 1.420) 2.159 3.943 ( 0.042 1.711 -1.196) 2.087 3.943 ( -0.042 1.711 1.196) 2.087 4.008 ( -0.317 -0.444 -1.603) 1.693 4.008 ( 0.317 -0.444 1.603) 1.693 4.047 ( 0.251 0.614 -1.941) 2.052 4.047 ( -0.251 0.614 1.941) 2.052 4.143 ( -0.595 1.538 -4.717) 4.997 4.143 ( 0.595 1.538 4.717) 4.997 4.276 ( 0.624 -2.545 -1.834) 3.198 4.276 ( -0.624 -2.545 1.834) 3.198 4.323 ( 0.873 0.580 -5.644) 5.740 4.323 ( -0.873 0.580 5.644) 5.740 4.388 ( 0.262 0.359 -3.792) 3.818 4.388 ( -0.262 0.359 3.792) 3.818 4.491 ( -1.170 -0.366 -3.036) 3.274 4.491 ( 1.170 -0.366 3.036) 3.274 4.608 ( 1.256 -0.968 -1.892) 2.469 4.608 ( -1.256 -0.968 1.892) 2.469 4.742 ( -1.027 3.484 -1.039) 3.778 4.742 ( 1.027 3.484 1.039) 3.778 4.849 ( -2.662 0.762 -3.464) 4.434 4.849 ( 2.662 0.762 3.464) 4.434 4.942 ( -1.665 -0.037 -2.250) 2.799 4.942 ( 1.665 -0.037 2.250) 2.799 4.974 ( 0.840 0.406 -2.742) 2.896 4.974 ( -0.840 0.406 2.742) 2.896 5.137 ( 0.159 2.511 -1.196) 2.786 5.137 ( -0.159 2.511 1.196) 2.786 5.192 ( 2.088 0.180 -2.296) 3.109 5.192 ( -2.088 0.180 2.296) 3.109 5.241 ( -0.043 0.310 -1.817) 1.844 5.241 ( 0.043 0.310 1.817) 1.844 5.300 ( -0.442 -2.356 -1.707) 2.943 5.300 ( 0.442 -2.356 1.707) 2.943 5.489 ( 0.426 -2.271 -0.760) 2.433 5.489 ( -0.426 -2.271 0.760) 2.433 5.669 ( -4.205 1.469 0.248) 4.461 5.669 ( 4.205 1.469 -0.248) 4.461 5.723 ( -5.844 -0.959 1.360) 6.076 5.723 ( 5.844 -0.959 -1.360) 6.076 5.901 ( 0.609 2.415 -2.015) 3.204 5.901 ( -0.609 2.415 2.015) 3.204 6.129 ( -0.149 -1.766 -4.462) 4.801 6.129 ( 0.149 -1.766 4.462) 4.801 ======================= Grid point 124 (50/56) ======================= q-point: ( 0.17 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( -3.251 10.464 6.759) 12.875 1.129 ( -1.044 13.172 -9.746) 16.418 1.144 ( 2.920 11.089 -0.760) 11.493 1.254 ( 5.484 12.615 1.192) 13.807 1.345 ( -3.016 -2.354 1.196) 4.009 1.528 ( 4.566 2.243 7.387) 8.969 1.568 ( 0.026 -0.297 1.280) 1.314 1.625 ( 4.451 4.186 -2.082) 6.455 1.630 ( 1.865 0.879 -1.945) 2.834 1.666 ( 3.404 -2.045 -1.396) 4.209 1.706 ( 1.817 -4.390 -1.944) 5.133 1.745 ( 2.004 -5.094 1.209) 5.606 1.808 ( -1.623 -2.729 0.755) 3.264 1.836 ( -1.789 -2.852 0.692) 3.437 1.902 ( -1.598 -1.537 -0.360) 2.246 1.920 ( 1.766 -6.510 2.798) 7.303 1.996 ( 0.389 -2.495 -2.092) 3.279 2.034 ( 0.447 -1.213 0.102) 1.297 2.077 ( 0.132 -0.568 -1.668) 1.767 2.138 ( 2.083 3.014 -5.347) 6.482 2.158 ( 2.643 1.818 2.519) 4.079 2.200 ( 1.625 -1.527 -0.743) 2.351 2.261 ( 0.675 -1.399 3.179) 3.538 2.305 ( 3.251 -4.747 -1.309) 5.901 2.484 ( 1.686 1.907 -1.103) 2.774 2.512 ( 1.656 -0.070 0.711) 1.803 2.554 ( -1.368 -0.010 1.901) 2.342 2.636 ( 1.370 -2.893 -0.850) 3.312 2.673 ( -0.349 1.454 0.030) 1.495 2.743 ( 2.223 0.306 -1.374) 2.631 2.783 ( -0.195 -0.556 1.764) 1.860 2.861 ( 0.283 -0.933 -1.788) 2.037 2.890 ( -2.672 -0.270 1.679) 3.168 2.940 ( 0.748 1.185 0.878) 1.654 2.977 ( -0.518 -3.186 0.850) 3.338 3.051 ( -0.951 -3.501 -1.405) 3.890 3.128 ( 1.846 2.326 2.636) 3.971 3.172 ( 3.365 2.851 -0.163) 4.414 3.257 ( -4.666 -1.225 -2.919) 5.638 3.363 ( -0.440 0.020 0.320) 0.545 3.385 ( 0.823 -1.737 -1.674) 2.549 3.423 ( 2.801 -0.589 0.176) 2.868 3.492 ( -1.337 1.206 2.915) 3.427 3.532 ( -0.199 -1.659 -1.033) 1.964 3.550 ( 0.449 -2.732 0.927) 2.920 3.588 ( 0.818 -1.197 -1.279) 1.933 3.605 ( -1.967 -3.560 0.875) 4.160 3.655 ( 0.087 -1.946 -0.414) 1.991 3.743 ( -1.937 1.884 -1.652) 3.167 3.769 ( -0.802 1.933 2.251) 3.073 3.871 ( -0.555 -0.792 -0.114) 0.974 3.915 ( 1.319 1.645 0.962) 2.318 3.938 ( -0.180 -1.710 0.212) 1.732 3.953 ( -0.286 3.900 -1.810) 4.309 4.000 ( 0.305 1.182 -1.016) 1.588 4.029 ( 0.708 -0.696 0.109) 0.999 4.046 ( 1.788 1.485 -0.020) 2.325 4.073 ( 1.294 -0.167 -1.342) 1.871 4.109 ( -2.150 1.649 -1.506) 3.100 4.157 ( -0.483 1.026 1.384) 1.789 4.245 ( -1.598 -0.104 -1.917) 2.497 4.288 ( -0.709 -2.298 0.874) 2.559 4.304 ( -0.766 1.879 4.887) 5.291 4.346 ( 1.259 -2.709 -2.697) 4.025 4.365 ( -1.251 -0.731 0.610) 1.571 4.389 ( -0.483 -0.899 0.274) 1.057 4.449 ( -1.221 0.754 -0.322) 1.471 4.517 ( 0.184 -0.219 3.308) 3.321 4.564 ( -2.847 1.209 -0.920) 3.226 4.615 ( -0.389 -1.779 -2.815) 3.353 4.699 ( -2.897 4.616 0.033) 5.450 4.742 ( -1.684 1.326 -0.373) 2.176 4.772 ( -4.841 -0.526 -1.461) 5.084 4.826 ( -3.877 -0.595 -1.829) 4.328 4.890 ( -0.579 0.062 0.841) 1.023 4.919 ( -2.957 -1.103 1.798) 3.632 4.969 ( -0.195 1.836 1.951) 2.686 5.034 ( 2.207 -1.160 -1.197) 2.766 5.082 ( -5.111 1.533 0.423) 5.352 5.095 ( -2.748 0.666 -1.066) 3.022 5.137 ( -1.115 0.894 0.958) 1.720 5.189 ( -0.281 1.238 2.291) 2.620 5.235 ( -0.222 1.059 -1.861) 2.153 5.247 ( -0.238 0.638 0.460) 0.821 5.313 ( 2.135 -0.502 -1.981) 2.955 5.372 ( 0.444 -3.500 -0.544) 3.569 5.523 ( 1.271 0.514 1.331) 1.911 5.568 ( -5.564 0.481 1.121) 5.696 5.601 ( 9.778 -2.426 -0.637) 10.095 5.620 ( 0.111 -1.163 1.086) 1.595 5.768 ( 2.913 2.705 -0.175) 3.979 5.823 ( 2.927 -0.364 -2.373) 3.785 5.895 ( 0.045 1.049 2.312) 2.539 5.942 ( 4.253 0.265 -0.920) 4.359 6.096 ( -2.395 -1.356 -2.974) 4.052 6.110 ( -1.766 -2.242 3.198) 4.286 ======================= Grid point 126 (51/56) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( -1.774 6.675 4.293) 8.132 1.074 ( -4.288 5.703 -3.504) 7.949 1.225 ( 5.280 8.730 -2.027) 10.402 1.333 ( 0.964 6.051 -0.224) 6.132 1.376 ( 7.015 10.473 -0.191) 12.607 1.547 ( -1.271 7.816 2.765) 8.388 1.585 ( 1.687 2.236 6.818) 7.371 1.611 ( -2.828 1.199 -4.881) 5.767 1.667 ( -3.114 -1.124 2.026) 3.881 1.723 ( -0.115 0.811 -3.270) 3.371 1.731 ( 1.462 -7.702 -2.092) 8.114 1.794 ( 2.698 -0.539 2.346) 3.616 1.804 ( 2.520 -5.213 1.439) 5.967 1.822 ( -3.142 -2.762 1.940) 4.611 1.861 ( 1.540 -4.506 -1.390) 4.960 1.938 ( -1.129 -2.955 -1.534) 3.516 2.016 ( 1.104 -6.207 -0.695) 6.342 2.053 ( 0.362 -4.558 -0.624) 4.615 2.096 ( 4.168 -7.083 1.740) 8.400 2.199 ( 2.926 4.407 -4.964) 7.255 2.233 ( 1.702 1.708 -1.728) 2.966 2.250 ( 2.908 -7.203 -0.177) 7.770 2.267 ( 2.283 0.979 2.760) 3.713 2.396 ( 5.018 -2.629 0.999) 5.753 2.490 ( -0.256 1.365 0.174) 1.399 2.551 ( 3.678 1.054 0.589) 3.872 2.577 ( 1.968 1.350 2.017) 3.125 2.643 ( -0.060 -1.031 0.297) 1.074 2.698 ( 1.779 0.712 -5.264) 5.602 2.783 ( 2.829 0.576 -0.213) 2.895 2.816 ( 0.111 1.648 2.618) 3.096 2.839 ( 0.737 -0.260 -0.369) 0.864 2.859 ( 0.034 -1.320 1.460) 1.968 2.949 ( -0.990 -3.432 0.165) 3.576 2.980 ( 0.265 1.184 1.059) 1.611 3.008 ( -2.903 -1.693 0.388) 3.383 3.145 ( -1.240 0.963 -1.372) 2.085 3.179 ( -0.971 0.635 -0.178) 1.174 3.237 ( 1.817 5.206 0.594) 5.546 3.317 ( -3.764 4.320 -1.476) 5.917 3.400 ( -0.068 -1.065 -0.747) 1.303 3.450 ( 0.528 3.575 0.587) 3.661 3.472 ( -0.777 1.385 1.597) 2.252 3.532 ( 0.768 -3.050 0.359) 3.165 3.547 ( -2.383 -3.750 1.191) 4.600 3.589 ( 2.012 -3.974 -0.740) 4.516 3.606 ( 0.147 -1.547 -0.480) 1.627 3.639 ( -1.287 -2.353 0.051) 2.683 3.717 ( -0.503 0.052 -1.573) 1.652 3.748 ( -1.347 -0.150 1.669) 2.150 3.877 ( 1.054 2.611 -1.008) 2.991 3.927 ( -0.699 2.069 1.369) 2.578 3.942 ( 0.694 1.706 0.756) 1.991 3.950 ( 0.609 1.387 -2.149) 2.629 4.015 ( 0.831 1.143 -1.097) 1.789 4.044 ( 0.512 1.257 1.425) 1.968 4.058 ( -0.476 1.161 -0.369) 1.308 4.073 ( -0.851 0.559 -4.110) 4.234 4.110 ( 1.517 0.326 -0.350) 1.591 4.116 ( -2.563 -0.135 2.707) 3.730 4.231 ( 0.091 0.915 -5.903) 5.974 4.270 ( -0.798 1.942 4.654) 5.105 4.289 ( -0.634 0.183 2.672) 2.752 4.317 ( -2.124 -3.773 0.912) 4.425 4.377 ( -0.040 -1.857 2.138) 2.832 4.397 ( 0.517 -0.927 -3.111) 3.287 4.431 ( 0.246 0.256 -0.101) 0.369 4.500 ( -1.040 2.474 1.459) 3.055 4.540 ( 0.216 0.148 1.363) 1.388 4.600 ( -0.883 -2.104 -3.677) 4.328 4.635 ( -5.554 -0.747 -1.420) 5.781 4.650 ( -2.490 2.530 1.810) 3.985 4.737 ( -0.606 -1.762 -0.359) 1.898 4.783 ( -1.558 -2.817 -3.280) 4.596 4.858 ( -2.376 -0.291 0.967) 2.581 4.877 ( -1.042 -0.623 0.957) 1.546 4.949 ( -1.739 1.869 2.702) 3.718 4.974 ( -3.125 2.137 -0.299) 3.798 5.069 ( -0.214 -0.152 -1.898) 1.916 5.088 ( 0.452 -2.272 0.132) 2.320 5.121 ( -0.283 1.340 0.363) 1.417 5.158 ( -1.948 -0.574 1.977) 2.834 5.229 ( 0.290 0.742 -0.108) 0.804 5.261 ( 0.096 1.922 -1.379) 2.368 5.333 ( 1.607 -0.184 0.188) 1.628 5.380 ( 0.029 -0.030 -0.401) 0.403 5.476 ( -2.960 -0.452 0.462) 3.029 5.498 ( -2.285 -0.430 0.023) 2.325 5.660 ( 1.750 2.196 1.369) 3.124 5.754 ( -0.064 3.676 -0.540) 3.716 5.785 ( 3.283 -2.642 0.114) 4.216 5.855 ( 0.257 -1.478 -1.368) 2.030 5.921 ( 3.790 -0.472 1.389) 4.064 6.030 ( 4.077 -1.789 -1.453) 4.684 6.048 ( -2.358 -1.798 -1.542) 3.342 6.097 ( 0.293 -2.470 2.416) 3.468 ======================= Grid point 128 (52/56) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -2.309 3.785 -2.563) 5.121 1.002 ( 2.309 3.785 2.563) 5.121 1.319 ( 0.462 7.807 -8.426) 11.496 1.319 ( -0.462 7.807 8.426) 11.496 1.500 ( -2.053 8.290 -1.355) 8.647 1.500 ( 2.053 8.290 1.355) 8.647 1.581 ( 1.534 4.528 -3.338) 5.831 1.581 ( -1.534 4.528 3.338) 5.831 1.657 ( -3.492 -0.067 -1.977) 4.013 1.657 ( 3.492 -0.067 1.977) 4.013 1.775 ( -0.165 -5.490 -4.866) 7.338 1.775 ( 0.165 -5.490 4.866) 7.338 1.822 ( -0.628 -3.355 -4.606) 5.733 1.822 ( 0.628 -3.355 4.606) 5.733 1.905 ( -1.269 -3.117 -3.891) 5.144 1.905 ( 1.269 -3.117 3.891) 5.144 2.040 ( 0.295 -6.791 -0.256) 6.802 2.040 ( -0.295 -6.791 0.256) 6.802 2.193 ( -4.394 -9.300 -1.597) 10.410 2.193 ( 4.394 -9.300 1.597) 10.410 2.239 ( 0.703 2.585 -2.058) 3.378 2.239 ( -0.703 2.585 2.058) 3.378 2.379 ( -4.720 -1.289 -1.141) 5.025 2.379 ( 4.720 -1.289 1.141) 5.025 2.572 ( -2.673 2.508 -0.338) 3.681 2.572 ( 2.673 2.508 0.338) 3.681 2.611 ( -2.304 0.221 -3.912) 4.545 2.611 ( 2.304 0.221 3.912) 4.545 2.751 ( 1.870 0.011 -4.405) 4.785 2.751 ( -1.870 0.011 4.405) 4.785 2.853 ( -0.309 0.518 -1.949) 2.040 2.853 ( 0.309 0.518 1.949) 2.040 2.903 ( -3.351 -3.292 0.127) 4.700 2.903 ( 3.351 -3.292 -0.127) 4.700 2.972 ( 0.987 1.877 -2.252) 3.093 2.972 ( -0.987 1.877 2.252) 3.093 3.150 ( -1.188 2.449 -0.595) 2.786 3.150 ( 1.188 2.449 0.595) 2.786 3.260 ( -1.048 5.365 -3.607) 6.550 3.260 ( 1.048 5.365 3.607) 6.550 3.416 ( 1.049 2.175 -1.304) 2.744 3.416 ( -1.049 2.175 1.304) 2.744 3.499 ( 0.192 -1.239 -1.597) 2.031 3.499 ( -0.192 -1.239 1.597) 2.031 3.569 ( -2.617 -2.219 -0.023) 3.431 3.569 ( 2.617 -2.219 0.023) 3.431 3.626 ( -0.896 -3.327 -1.238) 3.661 3.626 ( 0.896 -3.327 1.238) 3.661 3.723 ( 0.851 -1.035 -1.905) 2.329 3.723 ( -0.851 -1.035 1.905) 2.329 3.904 ( 0.423 4.185 -1.343) 4.415 3.904 ( -0.423 4.185 1.343) 4.415 3.953 ( -0.115 1.286 -2.600) 2.903 3.953 ( 0.115 1.286 2.600) 2.903 4.037 ( 0.211 -0.053 -4.759) 4.764 4.037 ( -0.211 -0.053 4.759) 4.764 4.054 ( 0.223 1.896 -0.485) 1.969 4.054 ( -0.223 1.896 0.485) 1.969 4.111 ( -0.395 -0.590 -1.503) 1.662 4.111 ( 0.395 -0.590 1.503) 1.662 4.246 ( 1.026 2.025 -6.528) 6.912 4.246 ( -1.026 2.025 6.528) 6.912 4.290 ( -0.608 -2.198 -2.234) 3.192 4.290 ( 0.608 -2.198 2.234) 3.192 4.381 ( -0.806 -0.358 -3.053) 3.178 4.381 ( 0.806 -0.358 3.053) 3.178 4.472 ( 0.888 2.161 -1.266) 2.657 4.472 ( -0.888 2.161 1.266) 2.657 4.559 ( -1.724 -2.627 -4.864) 5.791 4.559 ( 1.724 -2.627 4.864) 5.791 4.609 ( 1.600 0.161 -2.664) 3.112 4.609 ( -1.600 0.161 2.664) 3.112 4.747 ( -1.360 -3.027 -2.347) 4.065 4.747 ( 1.360 -3.027 2.347) 4.065 4.852 ( -0.718 -0.738 -0.389) 1.101 4.852 ( 0.718 -0.738 0.389) 1.101 4.938 ( -0.606 2.573 -2.522) 3.653 4.938 ( 0.606 2.573 2.522) 3.653 5.076 ( 0.542 -0.968 -2.292) 2.547 5.076 ( -0.542 -0.968 2.292) 2.547 5.129 ( 0.603 0.034 -2.042) 2.129 5.129 ( -0.603 0.034 2.042) 2.129 5.249 ( -1.021 -0.768 -1.586) 2.037 5.249 ( 1.021 -0.768 1.586) 2.037 5.364 ( -0.240 3.019 -2.258) 3.778 5.364 ( 0.240 3.019 2.258) 3.778 5.464 ( -0.582 -1.461 -0.891) 1.807 5.464 ( 0.582 -1.461 0.891) 1.807 5.696 ( -1.111 3.132 -1.796) 3.777 5.696 ( 1.111 3.132 1.796) 3.777 5.842 ( 0.044 -1.990 -1.801) 2.684 5.842 ( -0.044 -1.990 1.801) 2.684 6.000 ( -2.158 -1.228 -1.480) 2.891 6.000 ( 2.158 -1.228 1.480) 2.891 6.088 ( 1.039 -2.802 -2.962) 4.208 6.088 ( -1.039 -2.802 2.962) 4.208 ======================= Grid point 134 (53/56) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -0.000 0.000 -0.000) 0.000 1.307 ( 0.000 0.000 0.000) 0.000 1.331 ( -0.000 -0.000 -0.000) 0.000 1.331 ( 0.000 -0.000 0.000) 0.000 1.429 ( -0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.513 ( -0.000 0.000 -0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.561 ( -0.000 0.000 -0.000) 0.000 1.561 ( 0.000 0.000 0.000) 0.000 1.676 ( -0.000 0.000 0.000) 0.000 1.676 ( -0.000 0.000 0.000) 0.000 1.795 ( 0.000 0.000 -0.000) 0.000 1.795 ( -0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.026 ( -0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.177 ( -0.000 0.000 0.000) 0.000 2.177 ( -0.000 0.000 0.000) 0.000 2.218 ( 0.000 -0.000 -0.000) 0.000 2.218 ( 0.000 -0.000 0.000) 0.000 2.527 ( -0.000 -0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.542 ( 0.000 0.000 -0.000) 0.000 2.542 ( -0.000 0.000 0.000) 0.000 2.742 ( -0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.750 ( -0.000 -0.000 -0.000) 0.000 2.750 ( 0.000 -0.000 0.000) 0.000 2.951 ( -0.000 -0.000 -0.000) 0.000 2.951 ( 0.000 0.000 0.000) 0.000 2.973 ( -0.000 0.000 -0.000) 0.000 2.973 ( -0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.271 ( -0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.509 ( -0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 -0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.602 ( -0.000 -0.000 0.000) 0.000 3.602 ( 0.000 0.000 -0.000) 0.000 3.811 ( -0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.861 ( 0.000 0.000 -0.000) 0.000 3.861 ( -0.000 0.000 0.000) 0.000 3.976 ( -0.000 0.000 0.000) 0.000 3.976 ( -0.000 -0.000 0.000) 0.000 3.991 ( 0.000 0.000 -0.000) 0.000 3.991 ( 0.000 0.000 0.000) 0.000 4.072 ( -0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.171 ( -0.000 0.000 0.000) 0.000 4.171 ( 0.000 0.000 0.000) 0.000 4.214 ( -0.000 0.000 -0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.330 ( -0.000 0.000 0.000) 0.000 4.330 ( -0.000 0.000 0.000) 0.000 4.415 ( -0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.482 ( 0.000 0.000 -0.000) 0.000 4.482 ( -0.000 0.000 0.000) 0.000 4.591 ( -0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.889 ( -0.000 0.000 -0.000) 0.000 4.889 ( 0.000 0.000 0.000) 0.000 4.918 ( -0.000 -0.000 -0.000) 0.000 4.918 ( -0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 -0.000) 0.000 4.985 ( -0.000 0.000 0.000) 0.000 5.170 ( -0.000 0.000 -0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.195 ( -0.000 0.000 -0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.246 ( -0.000 0.000 0.000) 0.000 5.272 ( -0.000 0.000 -0.000) 0.000 5.272 ( -0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.458 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.711 ( -0.000 0.000 0.000) 0.000 5.711 ( -0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 5.941 ( -0.000 0.000 0.000) 0.000 6.094 ( -0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 138 (54/56) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -6.421 -5.367 1.187) 8.453 1.227 ( -6.421 5.367 1.187) 8.453 1.368 ( 2.072 -4.322 3.714) 6.064 1.368 ( 2.072 4.322 3.714) 6.064 1.455 ( 3.455 -8.235 -7.621) 11.740 1.455 ( 3.455 8.235 -7.621) 11.740 1.552 ( 3.504 -6.650 -0.783) 7.558 1.552 ( 3.504 6.650 -0.783) 7.558 1.624 ( 4.875 -2.847 2.724) 6.268 1.624 ( 4.875 2.847 2.724) 6.268 1.727 ( 3.999 -1.902 1.645) 4.724 1.727 ( 3.999 1.902 1.645) 4.724 1.759 ( -2.320 -0.683 -0.800) 2.547 1.759 ( -2.320 0.683 -0.800) 2.547 1.845 ( -0.606 -2.054 1.790) 2.791 1.845 ( -0.606 2.054 1.790) 2.791 1.996 ( -2.585 -2.944 1.264) 4.116 1.996 ( -2.585 2.944 1.264) 4.116 2.104 ( -3.552 -5.057 -1.447) 6.347 2.104 ( -3.552 5.057 -1.447) 6.347 2.198 ( 3.617 -2.652 -0.033) 4.485 2.198 ( 3.617 2.652 -0.033) 4.485 2.291 ( 4.143 -3.635 -1.598) 5.739 2.291 ( 4.143 3.635 -1.598) 5.739 2.519 ( -0.228 -1.511 -1.195) 1.940 2.519 ( -0.228 1.511 -1.195) 1.940 2.558 ( 1.420 -1.629 0.127) 2.165 2.558 ( 1.420 1.629 0.127) 2.165 2.725 ( 0.538 -3.657 0.493) 3.729 2.725 ( 0.538 3.657 0.493) 3.729 2.792 ( 2.170 -3.391 0.859) 4.116 2.792 ( 2.170 3.391 0.859) 4.116 2.946 ( -0.569 -2.193 -0.081) 2.267 2.946 ( -0.569 2.193 -0.081) 2.267 2.963 ( -0.798 -2.815 0.524) 2.973 2.963 ( -0.798 2.815 0.524) 2.973 3.163 ( 0.149 -1.910 0.040) 1.916 3.163 ( 0.149 1.910 0.040) 1.916 3.298 ( 2.181 -3.720 0.166) 4.315 3.298 ( 2.181 3.720 0.166) 4.315 3.395 ( 2.015 -1.246 -1.289) 2.697 3.395 ( 2.015 1.246 -1.289) 2.697 3.512 ( -0.634 -0.890 2.872) 3.073 3.512 ( -0.634 0.890 2.872) 3.073 3.539 ( -1.298 -1.885 -1.404) 2.685 3.539 ( -1.298 1.885 -1.404) 2.685 3.611 ( -0.010 -2.023 -0.350) 2.053 3.611 ( -0.010 2.023 -0.350) 2.053 3.779 ( -2.445 -1.082 -0.262) 2.686 3.779 ( -2.445 1.082 -0.262) 2.686 3.878 ( 1.313 -1.750 -1.097) 2.448 3.878 ( 1.313 1.750 -1.097) 2.448 3.975 ( 0.816 -1.829 1.848) 2.725 3.975 ( 0.816 1.829 1.848) 2.725 4.024 ( 1.389 -0.927 -1.650) 2.347 4.024 ( 1.389 0.927 -1.650) 2.347 4.073 ( 0.469 -0.950 0.336) 1.111 4.073 ( 0.469 0.950 0.336) 1.111 4.152 ( -1.802 -1.544 -1.766) 2.958 4.152 ( -1.802 1.544 -1.766) 2.958 4.225 ( 1.119 -0.925 1.331) 1.969 4.225 ( 1.119 0.925 1.331) 1.969 4.317 ( -1.338 -0.441 0.139) 1.415 4.317 ( -1.338 0.441 0.139) 1.415 4.378 ( -2.523 -0.764 3.048) 4.030 4.378 ( -2.523 0.764 3.048) 4.030 4.499 ( 0.733 -2.342 -2.232) 3.317 4.499 ( 0.733 2.342 -2.232) 3.317 4.578 ( -1.052 -1.116 -0.431) 1.593 4.578 ( -1.052 1.116 -0.431) 1.593 4.753 ( -1.677 -0.614 -1.439) 2.294 4.753 ( -1.677 0.614 -1.439) 2.294 4.799 ( -7.280 -1.743 -1.330) 7.603 4.799 ( -7.280 1.743 -1.330) 7.603 4.895 ( -1.208 -0.977 2.106) 2.617 4.895 ( -1.208 0.977 2.106) 2.617 5.004 ( 0.397 -1.458 1.803) 2.352 5.004 ( 0.397 1.458 1.803) 2.352 5.099 ( -4.137 -0.340 -1.234) 4.331 5.099 ( -4.137 0.340 -1.234) 4.331 5.174 ( -1.611 -1.616 1.600) 2.787 5.174 ( -1.611 1.616 1.600) 2.787 5.270 ( 2.218 -0.782 -0.567) 2.419 5.270 ( 2.218 0.782 -0.567) 2.419 5.307 ( 0.269 -1.749 -1.722) 2.469 5.307 ( 0.269 1.749 -1.722) 2.469 5.544 ( 3.426 -1.518 1.802) 4.158 5.544 ( 3.426 1.518 1.802) 4.158 5.596 ( 0.298 -0.974 -0.017) 1.019 5.596 ( 0.298 0.974 -0.017) 1.019 5.807 ( 3.370 -1.175 -0.809) 3.660 5.807 ( 3.370 1.175 -0.809) 3.660 5.938 ( 0.251 -1.747 -0.552) 1.849 5.938 ( 0.251 1.747 -0.552) 1.849 6.071 ( -1.820 -0.388 0.567) 1.945 6.071 ( -1.820 0.388 0.567) 1.945 ======================= Grid point 142 (55/56) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -5.149 -2.659 0.977) 5.877 1.107 ( -5.149 2.659 0.977) 5.877 1.411 ( 2.592 -5.646 1.091) 6.307 1.411 ( 2.592 5.646 1.091) 6.307 1.528 ( 3.135 -5.659 -2.702) 7.011 1.528 ( 3.135 5.659 -2.702) 7.011 1.621 ( 1.391 -3.414 -1.824) 4.113 1.621 ( 1.391 3.414 -1.824) 4.113 1.661 ( -0.069 -4.097 -1.795) 4.474 1.661 ( -0.069 4.097 -1.795) 4.474 1.735 ( 2.165 -3.925 3.888) 5.934 1.735 ( 2.165 3.925 3.888) 5.934 1.806 ( -0.126 -4.827 1.166) 4.967 1.806 ( -0.126 4.827 1.166) 4.967 1.853 ( 3.004 -3.901 1.221) 5.073 1.853 ( 3.004 3.901 1.221) 5.073 1.948 ( -1.722 -2.813 2.311) 4.028 1.948 ( -1.722 2.813 2.311) 4.028 2.041 ( -2.890 -6.373 -3.356) 7.761 2.041 ( -2.890 6.373 -3.356) 7.761 2.280 ( 3.814 -1.471 1.024) 4.215 2.280 ( 3.814 1.471 1.024) 4.215 2.335 ( 0.490 -4.138 -1.592) 4.460 2.335 ( 0.490 4.138 -1.592) 4.460 2.544 ( 3.206 -4.313 -0.659) 5.414 2.544 ( 3.206 4.313 -0.659) 5.414 2.593 ( 2.078 -1.467 -0.331) 2.565 2.593 ( 2.078 1.467 -0.331) 2.565 2.761 ( 2.158 -4.306 -0.715) 4.870 2.761 ( 2.158 4.306 -0.715) 4.870 2.817 ( 0.453 -1.518 1.296) 2.046 2.817 ( 0.453 1.518 1.296) 2.046 2.912 ( -2.362 -4.071 -1.067) 4.826 2.912 ( -2.362 4.071 -1.067) 4.826 2.973 ( 1.539 -1.244 1.761) 2.648 2.973 ( 1.539 1.244 1.761) 2.648 3.173 ( 0.738 -1.126 0.033) 1.346 3.173 ( 0.738 1.126 0.033) 1.346 3.331 ( 0.856 -3.519 0.880) 3.727 3.331 ( 0.856 3.519 0.880) 3.727 3.429 ( 1.111 -4.396 -1.182) 4.686 3.429 ( 1.111 4.396 -1.182) 4.686 3.489 ( -0.908 -2.034 0.426) 2.268 3.489 ( -0.908 2.034 0.426) 2.268 3.526 ( -0.726 -1.520 0.115) 1.689 3.526 ( -0.726 1.520 0.115) 1.689 3.608 ( -0.115 -1.181 0.172) 1.199 3.608 ( -0.115 1.181 0.172) 1.199 3.732 ( -2.185 -1.016 -0.405) 2.443 3.732 ( -2.185 1.016 -0.405) 2.443 3.909 ( 1.733 -1.137 -0.926) 2.270 3.909 ( 1.733 1.137 -0.926) 2.270 3.999 ( 1.301 -2.103 0.119) 2.475 3.999 ( 1.301 2.103 0.119) 2.475 4.026 ( -0.082 -2.118 0.258) 2.135 4.026 ( -0.082 2.118 0.258) 2.135 4.082 ( -0.640 -2.004 -0.505) 2.163 4.082 ( -0.640 2.004 -0.505) 2.163 4.116 ( -1.579 -0.495 -1.131) 2.004 4.116 ( -1.579 0.495 -1.131) 2.004 4.241 ( 0.081 -1.274 -1.136) 1.709 4.241 ( 0.081 1.274 -1.136) 1.709 4.295 ( -0.811 -1.226 4.765) 4.987 4.295 ( -0.811 1.226 4.765) 4.987 4.357 ( 1.268 -0.538 0.653) 1.525 4.357 ( 1.268 0.538 0.653) 1.525 4.490 ( -1.927 -3.486 -2.981) 4.975 4.490 ( -1.927 3.486 -2.981) 4.975 4.563 ( -0.131 -2.521 -0.440) 2.563 4.563 ( -0.131 2.521 -0.440) 2.563 4.667 ( -5.093 -1.521 1.965) 5.667 4.667 ( -5.093 1.521 1.965) 5.667 4.724 ( -1.932 -1.353 -3.108) 3.901 4.724 ( -1.932 1.353 -3.108) 3.901 4.862 ( -1.843 -0.555 0.823) 2.093 4.862 ( -1.843 0.555 0.823) 2.093 4.993 ( -0.877 -1.528 1.829) 2.540 4.993 ( -0.877 1.528 1.829) 2.540 5.056 ( -0.857 -0.494 -1.363) 1.684 5.056 ( -0.857 0.494 -1.363) 1.684 5.144 ( -1.266 -0.670 1.545) 2.106 5.144 ( -1.266 0.670 1.545) 2.106 5.255 ( -1.748 -1.862 -0.406) 2.586 5.255 ( -1.748 1.862 -0.406) 2.586 5.360 ( 3.720 -2.071 -0.594) 4.299 5.360 ( 3.720 2.071 -0.594) 4.299 5.484 ( -3.615 -0.971 0.345) 3.760 5.484 ( -3.615 0.971 0.345) 3.760 5.716 ( 4.308 -3.076 0.766) 5.349 5.716 ( 4.308 3.076 0.766) 5.349 5.819 ( -0.861 -1.932 -1.076) 2.373 5.819 ( -0.861 1.932 -1.076) 2.373 5.958 ( 1.612 -3.609 -0.444) 3.978 5.958 ( 1.612 3.609 -0.444) 3.978 6.054 ( 0.070 -1.453 0.633) 1.587 6.054 ( 0.070 1.453 0.633) 1.587 ======================= Grid point 146 (56/56) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( -0.000 0.000 -0.000) 0.000 1.054 ( -0.000 0.000 0.000) 0.000 1.448 ( -0.000 0.000 -0.000) 0.000 1.448 ( -0.000 0.000 0.000) 0.000 1.546 ( -0.000 0.000 -0.000) 0.000 1.546 ( -0.000 0.000 0.000) 0.000 1.609 ( -0.000 -0.000 -0.000) 0.000 1.609 ( -0.000 0.000 0.000) 0.000 1.696 ( -0.000 0.000 -0.000) 0.000 1.696 ( -0.000 -0.000 0.000) 0.000 1.770 ( -0.000 -0.000 0.000) 0.000 1.770 ( -0.000 0.000 0.000) 0.000 1.774 ( 0.000 -0.000 -0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.886 ( 0.000 -0.000 0.000) 0.000 1.886 ( -0.000 -0.000 0.000) 0.000 1.947 ( -0.000 -0.000 -0.000) 0.000 1.947 ( -0.000 0.000 0.000) 0.000 2.002 ( -0.000 0.000 0.000) 0.000 2.002 ( -0.000 0.000 0.000) 0.000 2.314 ( -0.000 0.000 -0.000) 0.000 2.314 ( -0.000 0.000 0.000) 0.000 2.336 ( -0.000 0.000 -0.000) 0.000 2.336 ( -0.000 0.000 0.000) 0.000 2.595 ( -0.000 0.000 -0.000) 0.000 2.595 ( -0.000 0.000 0.000) 0.000 2.624 ( -0.000 0.000 -0.000) 0.000 2.624 ( -0.000 0.000 0.000) 0.000 2.769 ( -0.000 -0.000 0.000) 0.000 2.769 ( -0.000 0.000 0.000) 0.000 2.821 ( -0.000 0.000 -0.000) 0.000 2.821 ( -0.000 0.000 0.000) 0.000 2.890 ( -0.000 0.000 -0.000) 0.000 2.890 ( -0.000 0.000 0.000) 0.000 2.993 ( -0.000 0.000 -0.000) 0.000 2.993 ( -0.000 0.000 0.000) 0.000 3.181 ( -0.000 0.000 0.000) 0.000 3.181 ( -0.000 0.000 0.000) 0.000 3.336 ( -0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.446 ( -0.000 -0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.462 ( -0.000 -0.000 -0.000) 0.000 3.462 ( -0.000 0.000 0.000) 0.000 3.530 ( -0.000 -0.000 -0.000) 0.000 3.530 ( -0.000 0.000 0.000) 0.000 3.603 ( -0.000 0.000 0.000) 0.000 3.603 ( -0.000 0.000 0.000) 0.000 3.709 ( -0.000 0.000 0.000) 0.000 3.709 ( -0.000 0.000 0.000) 0.000 3.928 ( -0.000 0.000 0.000) 0.000 3.928 ( -0.000 0.000 0.000) 0.000 4.014 ( -0.000 -0.000 -0.000) 0.000 4.014 ( -0.000 0.000 -0.000) 0.000 4.030 ( -0.000 0.000 -0.000) 0.000 4.030 ( -0.000 0.000 0.000) 0.000 4.078 ( -0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.084 ( 0.000 -0.000 -0.000) 0.000 4.084 ( -0.000 0.000 0.000) 0.000 4.248 ( -0.000 0.000 0.000) 0.000 4.248 ( -0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 -0.000) 0.000 4.276 ( -0.000 0.000 -0.000) 0.000 4.406 ( -0.000 0.000 -0.000) 0.000 4.406 ( 0.000 0.000 0.000) 0.000 4.440 ( -0.000 -0.000 -0.000) 0.000 4.440 ( -0.000 0.000 0.000) 0.000 4.580 ( -0.000 0.000 -0.000) 0.000 4.580 ( -0.000 0.000 0.000) 0.000 4.601 ( -0.000 -0.000 -0.000) 0.000 4.601 ( -0.000 0.000 0.000) 0.000 4.703 ( -0.000 0.000 -0.000) 0.000 4.703 ( -0.000 0.000 0.000) 0.000 4.842 ( -0.000 0.000 0.000) 0.000 4.842 ( -0.000 0.000 0.000) 0.000 4.985 ( -0.000 0.000 0.000) 0.000 4.985 ( -0.000 0.000 0.000) 0.000 5.047 ( -0.000 -0.000 0.000) 0.000 5.047 ( -0.000 0.000 0.000) 0.000 5.132 ( -0.000 0.000 -0.000) 0.000 5.132 ( -0.000 0.000 0.000) 0.000 5.236 ( -0.000 -0.000 0.000) 0.000 5.236 ( -0.000 0.000 0.000) 0.000 5.414 ( -0.000 -0.000 0.000) 0.000 5.414 ( -0.000 -0.000 0.000) 0.000 5.435 ( -0.000 0.000 -0.000) 0.000 5.435 ( 0.000 0.000 -0.000) 0.000 5.739 ( -0.000 0.000 -0.000) 0.000 5.739 ( -0.000 0.000 0.000) 0.000 5.812 ( -0.000 0.000 0.000) 0.000 5.812 ( -0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 -0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.054 ( -0.000 0.000 0.000) 0.000 6.054 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/13824 10.0 241.209 267.839 205.682 0.000 -9.681 0.000 3/13824 20.0 38.091 49.368 33.870 0.000 -1.234 0.000 3/13824 30.0 14.718 19.777 13.804 0.000 -0.450 0.000 3/13824 40.0 8.239 11.271 7.918 0.000 -0.236 0.000 3/13824 50.0 5.555 7.663 5.403 0.000 -0.150 0.000 3/13824 60.0 4.166 5.767 4.079 0.000 -0.107 0.000 3/13824 70.0 3.337 4.624 3.281 0.000 -0.082 0.000 3/13824 80.0 2.791 3.866 2.752 0.000 -0.067 0.000 3/13824 90.0 2.405 3.329 2.376 0.000 -0.057 0.000 3/13824 100.0 2.118 2.928 2.095 0.000 -0.049 0.000 3/13824 110.0 1.895 2.617 1.876 0.000 -0.044 0.000 3/13824 120.0 1.717 2.368 1.701 0.000 -0.039 0.000 3/13824 130.0 1.571 2.164 1.557 0.000 -0.036 0.000 3/13824 140.0 1.449 1.994 1.437 0.000 -0.033 0.000 3/13824 150.0 1.345 1.850 1.334 0.000 -0.030 0.000 3/13824 160.0 1.256 1.725 1.246 0.000 -0.028 0.000 3/13824 170.0 1.178 1.617 1.169 0.000 -0.026 0.000 3/13824 180.0 1.109 1.522 1.101 0.000 -0.025 0.000 3/13824 190.0 1.049 1.438 1.041 0.000 -0.024 0.000 3/13824 200.0 0.994 1.363 0.987 0.000 -0.022 0.000 3/13824 210.0 0.946 1.295 0.939 0.000 -0.021 0.000 3/13824 220.0 0.902 1.234 0.895 0.000 -0.020 0.000 3/13824 230.0 0.862 1.179 0.855 0.000 -0.019 0.000 3/13824 240.0 0.825 1.128 0.819 0.000 -0.019 0.000 3/13824 250.0 0.791 1.082 0.786 0.000 -0.018 0.000 3/13824 260.0 0.760 1.039 0.755 0.000 -0.017 0.000 3/13824 270.0 0.732 1.000 0.727 0.000 -0.016 0.000 3/13824 280.0 0.705 0.964 0.701 0.000 -0.016 0.000 3/13824 290.0 0.681 0.930 0.676 0.000 -0.015 0.000 3/13824 300.0 0.658 0.898 0.653 0.000 -0.015 0.000 3/13824 310.0 0.637 0.869 0.632 0.000 -0.014 0.000 3/13824 320.0 0.616 0.841 0.612 0.000 -0.014 0.000 3/13824 330.0 0.598 0.816 0.594 0.000 -0.013 0.000 3/13824 340.0 0.580 0.791 0.576 0.000 -0.013 0.000 3/13824 350.0 0.563 0.769 0.560 0.000 -0.013 0.000 3/13824 360.0 0.548 0.747 0.544 0.000 -0.012 0.000 3/13824 370.0 0.533 0.727 0.529 0.000 -0.012 0.000 3/13824 380.0 0.519 0.707 0.515 0.000 -0.012 0.000 3/13824 390.0 0.505 0.689 0.502 0.000 -0.011 0.000 3/13824 400.0 0.493 0.672 0.489 0.000 -0.011 0.000 3/13824 410.0 0.481 0.655 0.477 0.000 -0.011 0.000 3/13824 420.0 0.469 0.639 0.466 0.000 -0.011 0.000 3/13824 430.0 0.458 0.625 0.455 0.000 -0.010 0.000 3/13824 440.0 0.448 0.610 0.445 0.000 -0.010 0.000 3/13824 450.0 0.438 0.597 0.435 0.000 -0.010 0.000 3/13824 460.0 0.428 0.584 0.425 0.000 -0.010 0.000 3/13824 470.0 0.419 0.571 0.416 0.000 -0.009 0.000 3/13824 480.0 0.411 0.559 0.408 0.000 -0.009 0.000 3/13824 490.0 0.402 0.548 0.399 0.000 -0.009 0.000 3/13824 500.0 0.394 0.537 0.391 0.000 -0.009 0.000 3/13824 510.0 0.386 0.526 0.384 0.000 -0.009 0.000 3/13824 520.0 0.379 0.516 0.376 0.000 -0.009 0.000 3/13824 530.0 0.372 0.506 0.369 0.000 -0.008 0.000 3/13824 540.0 0.365 0.497 0.362 0.000 -0.008 0.000 3/13824 550.0 0.358 0.488 0.356 0.000 -0.008 0.000 3/13824 560.0 0.352 0.479 0.350 0.000 -0.008 0.000 3/13824 570.0 0.346 0.471 0.343 0.000 -0.008 0.000 3/13824 580.0 0.340 0.463 0.337 0.000 -0.008 0.000 3/13824 590.0 0.334 0.455 0.332 0.000 -0.008 0.000 3/13824 600.0 0.328 0.447 0.326 0.000 -0.007 0.000 3/13824 610.0 0.323 0.440 0.321 0.000 -0.007 0.000 3/13824 620.0 0.318 0.433 0.316 0.000 -0.007 0.000 3/13824 630.0 0.313 0.426 0.311 0.000 -0.007 0.000 3/13824 640.0 0.308 0.419 0.306 0.000 -0.007 0.000 3/13824 650.0 0.303 0.413 0.301 0.000 -0.007 0.000 3/13824 660.0 0.299 0.406 0.297 0.000 -0.007 0.000 3/13824 670.0 0.294 0.400 0.292 0.000 -0.007 0.000 3/13824 680.0 0.290 0.394 0.288 0.000 -0.007 0.000 3/13824 690.0 0.286 0.389 0.284 0.000 -0.006 0.000 3/13824 700.0 0.282 0.383 0.280 0.000 -0.006 0.000 3/13824 710.0 0.278 0.378 0.276 0.000 -0.006 0.000 3/13824 720.0 0.274 0.373 0.272 0.000 -0.006 0.000 3/13824 730.0 0.270 0.367 0.268 0.000 -0.006 0.000 3/13824 740.0 0.266 0.362 0.265 0.000 -0.006 0.000 3/13824 750.0 0.263 0.358 0.261 0.000 -0.006 0.000 3/13824 760.0 0.259 0.353 0.258 0.000 -0.006 0.000 3/13824 770.0 0.256 0.348 0.254 0.000 -0.006 0.000 3/13824 780.0 0.253 0.344 0.251 0.000 -0.006 0.000 3/13824 790.0 0.250 0.339 0.248 0.000 -0.006 0.000 3/13824 800.0 0.246 0.335 0.245 0.000 -0.006 0.000 3/13824 810.0 0.243 0.331 0.242 0.000 -0.005 0.000 3/13824 820.0 0.240 0.327 0.239 0.000 -0.005 0.000 3/13824 830.0 0.238 0.323 0.236 0.000 -0.005 0.000 3/13824 840.0 0.235 0.319 0.233 0.000 -0.005 0.000 3/13824 850.0 0.232 0.316 0.230 0.000 -0.005 0.000 3/13824 860.0 0.229 0.312 0.228 0.000 -0.005 0.000 3/13824 870.0 0.227 0.308 0.225 0.000 -0.005 0.000 3/13824 880.0 0.224 0.305 0.223 0.000 -0.005 0.000 3/13824 890.0 0.222 0.301 0.220 0.000 -0.005 0.000 3/13824 900.0 0.219 0.298 0.218 0.000 -0.005 0.000 3/13824 910.0 0.217 0.295 0.215 0.000 -0.005 0.000 3/13824 920.0 0.214 0.292 0.213 0.000 -0.005 0.000 3/13824 930.0 0.212 0.288 0.211 0.000 -0.005 0.000 3/13824 940.0 0.210 0.285 0.208 0.000 -0.005 0.000 3/13824 950.0 0.208 0.282 0.206 0.000 -0.005 0.000 3/13824 960.0 0.205 0.279 0.204 0.000 -0.005 0.000 3/13824 970.0 0.203 0.277 0.202 0.000 -0.005 0.000 3/13824 980.0 0.201 0.274 0.200 0.000 -0.005 0.000 3/13824 990.0 0.199 0.271 0.198 0.000 -0.004 0.000 3/13824 1000.0 0.197 0.268 0.196 0.000 -0.004 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m664.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:21:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|