----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:04:04]------------------------- 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 7.358666770521053 0.000000000000000 0.000000000000000 b 0.000000000000000 6.933337669999999 0.000000000000000 c -0.705768407501433 0.000000000000000 13.528069082134932 Atomic positions (fractional): *1 Li 0.64810957906571 0.48825113283595 0.87620700149520 6.941 2 Li 0.35189042093429 0.51174886716405 0.12379299850480 6.941 3 Li 0.35189042093429 0.98825113283595 0.62379299850480 6.941 4 Li 0.64810957906571 0.01174886716405 0.37620700149520 6.941 *5 Ga 0.79770411937649 0.32883127908875 0.10214605950376 69.723 6 Ga 0.79770411937649 0.17116872091125 0.60214605950376 69.723 7 Ga 0.20229588062351 0.82883127908875 0.39785394049624 69.723 8 Ga 0.20229588062351 0.67116872091125 0.89785394049624 69.723 *9 Br 0.18917103643042 0.67885303138897 0.55109007406880 79.904 *10 Br 0.68758970912225 0.85665983187504 0.56655398559029 79.904 11 Br 0.68758970912225 0.64334016812496 0.06655398559029 79.904 12 Br 0.31241029087775 0.14334016812497 0.43344601440971 79.904 13 Br 0.31241029087775 0.35665983187504 0.93344601440971 79.904 *14 Br 0.56202180791059 0.31024987303449 0.69069153896504 79.904 15 Br 0.56202180791059 0.18975012696551 0.19069153896504 79.904 16 Br 0.43797819208941 0.68975012696551 0.30930846103496 79.904 *17 Br 0.92972360577133 0.67692232824091 0.80381192367246 79.904 18 Br 0.07027639422867 0.17692232824091 0.69618807632754 79.904 19 Br 0.07027639422867 0.32307767175909 0.19618807632754 79.904 20 Br 0.92972360577133 0.82307767175909 0.30381192367246 79.904 21 Br 0.81082896356958 0.17885303138896 0.94890992593120 79.904 22 Br 0.81082896356958 0.32114696861103 0.44890992593120 79.904 23 Br 0.18917103643042 0.82114696861103 0.05109007406880 79.904 24 Br 0.43797819208941 0.81024987303449 0.80930846103496 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.358666770521053 0.000000000000000 0.000000000000000 b 0.000000000000000 6.933337669999999 0.000000000000000 c -0.705768407501433 0.000000000000000 13.528069082134932 Atomic positions (fractional): *1 Li 0.64810957906571 0.48825113283595 0.87620700149520 6.941 > 1 2 Li 0.35189042093429 0.51174886716405 0.12379299850480 6.941 > 2 3 Li 0.35189042093429 0.98825113283595 0.62379299850480 6.941 > 3 4 Li 0.64810957906571 0.01174886716405 0.37620700149520 6.941 > 4 *5 Ga 0.79770411937649 0.32883127908875 0.10214605950376 69.723 > 5 6 Ga 0.79770411937649 0.17116872091125 0.60214605950376 69.723 > 6 7 Ga 0.20229588062351 0.82883127908875 0.39785394049624 69.723 > 7 8 Ga 0.20229588062351 0.67116872091125 0.89785394049624 69.723 > 8 *9 Br 0.18917103643042 0.67885303138897 0.55109007406880 79.904 > 9 *10 Br 0.68758970912225 0.85665983187504 0.56655398559029 79.904 > 10 11 Br 0.68758970912225 0.64334016812496 0.06655398559029 79.904 > 11 12 Br 0.31241029087775 0.14334016812497 0.43344601440971 79.904 > 12 13 Br 0.31241029087775 0.35665983187504 0.93344601440971 79.904 > 13 *14 Br 0.56202180791059 0.31024987303449 0.69069153896504 79.904 > 14 15 Br 0.56202180791059 0.18975012696551 0.19069153896504 79.904 > 15 16 Br 0.43797819208941 0.68975012696551 0.30930846103496 79.904 > 16 *17 Br 0.92972360577133 0.67692232824091 0.80381192367246 79.904 > 17 18 Br 0.07027639422867 0.17692232824091 0.69618807632754 79.904 > 18 19 Br 0.07027639422867 0.32307767175909 0.19618807632754 79.904 > 19 20 Br 0.92972360577133 0.82307767175909 0.30381192367246 79.904 > 20 21 Br 0.81082896356958 0.17885303138896 0.94890992593120 79.904 > 21 22 Br 0.81082896356958 0.32114696861103 0.44890992593120 79.904 > 22 23 Br 0.18917103643042 0.82114696861103 0.05109007406880 79.904 > 23 24 Br 0.43797819208941 0.81024987303449 0.80930846103496 79.904 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.717333541042105 0.000000000000000 0.000000000000000 b 0.000000000000000 13.866675339999999 0.000000000000000 c -0.705768407501433 0.000000000000000 13.528069082134932 Atomic positions (fractional): *1 Li 0.32405478953286 0.24412556641797 0.87620700149520 6.941 > 1 2 Li 0.82405478953286 0.24412556641797 0.87620700149520 6.941 > 1 3 Li 0.32405478953286 0.74412556641797 0.87620700149520 6.941 > 1 4 Li 0.82405478953286 0.74412556641797 0.87620700149520 6.941 > 1 5 Li 0.17594521046714 0.25587443358203 0.12379299850480 6.941 > 2 6 Li 0.67594521046714 0.25587443358203 0.12379299850480 6.941 > 2 7 Li 0.17594521046714 0.75587443358203 0.12379299850480 6.941 > 2 8 Li 0.67594521046714 0.75587443358203 0.12379299850480 6.941 > 2 9 Li 0.17594521046714 0.49412556641797 0.62379299850480 6.941 > 3 10 Li 0.67594521046714 0.49412556641797 0.62379299850480 6.941 > 3 11 Li 0.17594521046714 0.99412556641797 0.62379299850480 6.941 > 3 12 Li 0.67594521046714 0.99412556641797 0.62379299850480 6.941 > 3 13 Li 0.32405478953286 0.00587443358203 0.37620700149520 6.941 > 4 14 Li 0.82405478953286 0.00587443358203 0.37620700149520 6.941 > 4 15 Li 0.32405478953286 0.50587443358203 0.37620700149520 6.941 > 4 16 Li 0.82405478953286 0.50587443358203 0.37620700149520 6.941 > 4 *17 Ga 0.39885205968825 0.16441563954438 0.10214605950376 69.723 > 5 18 Ga 0.89885205968825 0.16441563954438 0.10214605950376 69.723 > 5 19 Ga 0.39885205968825 0.66441563954438 0.10214605950376 69.723 > 5 20 Ga 0.89885205968825 0.66441563954438 0.10214605950376 69.723 > 5 21 Ga 0.39885205968825 0.08558436045562 0.60214605950376 69.723 > 6 22 Ga 0.89885205968825 0.08558436045562 0.60214605950376 69.723 > 6 23 Ga 0.39885205968825 0.58558436045562 0.60214605950376 69.723 > 6 24 Ga 0.89885205968825 0.58558436045562 0.60214605950376 69.723 > 6 25 Ga 0.10114794031175 0.41441563954438 0.39785394049624 69.723 > 7 26 Ga 0.60114794031175 0.41441563954438 0.39785394049624 69.723 > 7 27 Ga 0.10114794031175 0.91441563954438 0.39785394049624 69.723 > 7 28 Ga 0.60114794031175 0.91441563954438 0.39785394049624 69.723 > 7 29 Ga 0.10114794031175 0.33558436045562 0.89785394049624 69.723 > 8 30 Ga 0.60114794031175 0.33558436045562 0.89785394049624 69.723 > 8 31 Ga 0.10114794031175 0.83558436045562 0.89785394049624 69.723 > 8 32 Ga 0.60114794031175 0.83558436045562 0.89785394049624 69.723 > 8 *33 Br 0.09458551821521 0.33942651569448 0.55109007406880 79.904 > 9 34 Br 0.59458551821521 0.33942651569448 0.55109007406880 79.904 > 9 35 Br 0.09458551821521 0.83942651569448 0.55109007406880 79.904 > 9 36 Br 0.59458551821521 0.83942651569448 0.55109007406880 79.904 > 9 *37 Br 0.34379485456112 0.42832991593752 0.56655398559029 79.904 > 10 38 Br 0.84379485456112 0.42832991593752 0.56655398559029 79.904 > 10 39 Br 0.34379485456112 0.92832991593752 0.56655398559029 79.904 > 10 40 Br 0.84379485456112 0.92832991593752 0.56655398559029 79.904 > 10 41 Br 0.34379485456112 0.32167008406248 0.06655398559029 79.904 > 11 42 Br 0.84379485456112 0.32167008406248 0.06655398559029 79.904 > 11 43 Br 0.34379485456112 0.82167008406248 0.06655398559029 79.904 > 11 44 Br 0.84379485456112 0.82167008406248 0.06655398559029 79.904 > 11 45 Br 0.15620514543888 0.07167008406248 0.43344601440971 79.904 > 12 46 Br 0.65620514543888 0.07167008406248 0.43344601440971 79.904 > 12 47 Br 0.15620514543888 0.57167008406248 0.43344601440971 79.904 > 12 48 Br 0.65620514543888 0.57167008406248 0.43344601440971 79.904 > 12 49 Br 0.15620514543888 0.17832991593752 0.93344601440971 79.904 > 13 50 Br 0.65620514543888 0.17832991593752 0.93344601440971 79.904 > 13 51 Br 0.15620514543888 0.67832991593752 0.93344601440971 79.904 > 13 52 Br 0.65620514543888 0.67832991593752 0.93344601440971 79.904 > 13 *53 Br 0.28101090395529 0.15512493651724 0.69069153896504 79.904 > 14 54 Br 0.78101090395529 0.15512493651724 0.69069153896504 79.904 > 14 55 Br 0.28101090395529 0.65512493651724 0.69069153896504 79.904 > 14 56 Br 0.78101090395529 0.65512493651724 0.69069153896504 79.904 > 14 57 Br 0.28101090395529 0.09487506348276 0.19069153896504 79.904 > 15 58 Br 0.78101090395529 0.09487506348276 0.19069153896504 79.904 > 15 59 Br 0.28101090395529 0.59487506348276 0.19069153896504 79.904 > 15 60 Br 0.78101090395529 0.59487506348276 0.19069153896504 79.904 > 15 61 Br 0.21898909604471 0.34487506348276 0.30930846103496 79.904 > 16 62 Br 0.71898909604471 0.34487506348276 0.30930846103496 79.904 > 16 63 Br 0.21898909604471 0.84487506348276 0.30930846103496 79.904 > 16 64 Br 0.71898909604471 0.84487506348276 0.30930846103496 79.904 > 16 *65 Br 0.46486180288566 0.33846116412045 0.80381192367246 79.904 > 17 66 Br 0.96486180288566 0.33846116412045 0.80381192367246 79.904 > 17 67 Br 0.46486180288566 0.83846116412045 0.80381192367246 79.904 > 17 68 Br 0.96486180288566 0.83846116412045 0.80381192367246 79.904 > 17 69 Br 0.03513819711434 0.08846116412045 0.69618807632754 79.904 > 18 70 Br 0.53513819711434 0.08846116412045 0.69618807632754 79.904 > 18 71 Br 0.03513819711434 0.58846116412045 0.69618807632754 79.904 > 18 72 Br 0.53513819711434 0.58846116412045 0.69618807632754 79.904 > 18 73 Br 0.03513819711434 0.16153883587955 0.19618807632754 79.904 > 19 74 Br 0.53513819711434 0.16153883587955 0.19618807632754 79.904 > 19 75 Br 0.03513819711434 0.66153883587955 0.19618807632754 79.904 > 19 76 Br 0.53513819711434 0.66153883587955 0.19618807632754 79.904 > 19 77 Br 0.46486180288566 0.41153883587955 0.30381192367246 79.904 > 20 78 Br 0.96486180288566 0.41153883587955 0.30381192367246 79.904 > 20 79 Br 0.46486180288566 0.91153883587955 0.30381192367246 79.904 > 20 80 Br 0.96486180288566 0.91153883587955 0.30381192367246 79.904 > 20 81 Br 0.40541448178479 0.08942651569448 0.94890992593120 79.904 > 21 82 Br 0.90541448178479 0.08942651569448 0.94890992593120 79.904 > 21 83 Br 0.40541448178479 0.58942651569448 0.94890992593120 79.904 > 21 84 Br 0.90541448178479 0.58942651569448 0.94890992593120 79.904 > 21 85 Br 0.40541448178479 0.16057348430552 0.44890992593120 79.904 > 22 86 Br 0.90541448178479 0.16057348430552 0.44890992593120 79.904 > 22 87 Br 0.40541448178479 0.66057348430552 0.44890992593120 79.904 > 22 88 Br 0.90541448178479 0.66057348430552 0.44890992593120 79.904 > 22 89 Br 0.09458551821521 0.41057348430552 0.05109007406880 79.904 > 23 90 Br 0.59458551821521 0.41057348430552 0.05109007406880 79.904 > 23 91 Br 0.09458551821521 0.91057348430552 0.05109007406880 79.904 > 23 92 Br 0.59458551821521 0.91057348430552 0.05109007406880 79.904 > 23 93 Br 0.21898909604471 0.40512493651724 0.80930846103496 79.904 > 24 94 Br 0.71898909604471 0.40512493651724 0.80930846103496 79.904 > 24 95 Br 0.21898909604471 0.90512493651724 0.80930846103496 79.904 > 24 96 Br 0.71898909604471 0.90512493651724 0.80930846103496 79.904 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5193167 0.0000000 0.0301641 0.0000000 3.2003099 0.0000000 0.0301410 0.0000000 3.4726462 -------------------------- Born effective charges -------------------------- 1 Li 1.3181308 0.0045989 -0.0937178 -0.0510136 1.0007930 0.0091969 0.1386304 -0.0135187 1.3028011 2 Li 1.3181308 0.0045989 -0.0937178 -0.0510136 1.0007930 0.0091969 0.1386304 -0.0135187 1.3028011 3 Li 1.3181308 -0.0045989 -0.0937178 0.0510136 1.0007930 -0.0091969 0.1386304 0.0135187 1.3028011 4 Li 1.3181308 -0.0045989 -0.0937178 0.0510136 1.0007930 -0.0091969 0.1386304 0.0135187 1.3028011 5 Ga 2.5662478 -0.0523090 0.1268651 -0.0148905 2.0694529 -0.0601201 -0.0823583 -0.0460986 2.4257239 6 Ga 2.5662478 0.0523090 0.1268651 0.0148905 2.0694529 0.0601201 -0.0823583 0.0460986 2.4257239 7 Ga 2.5662478 0.0523090 0.1268651 0.0148905 2.0694529 0.0601201 -0.0823583 0.0460986 2.4257239 8 Ga 2.5662478 -0.0523090 0.1268651 -0.0148905 2.0694529 -0.0601201 -0.0823583 -0.0460986 2.4257239 9 Br -0.5121322 -0.1208105 0.0521168 -0.1212676 -0.7006740 0.2458701 -0.0256106 0.2357980 -1.2193195 10 Br -0.7809469 -0.2026212 -0.0366306 -0.3106822 -1.1052407 -0.1289204 -0.0356808 -0.0847823 -0.8033544 11 Br -0.7809469 0.2026212 -0.0366306 0.3106822 -1.1052407 0.1289204 -0.0356808 0.0847823 -0.8033544 12 Br -0.7809469 -0.2026212 -0.0366306 -0.3106822 -1.1052407 -0.1289204 -0.0356808 -0.0847823 -0.8033544 13 Br -0.7809469 0.2026212 -0.0366306 0.3106822 -1.1052407 0.1289204 -0.0356808 0.0847823 -0.8033544 14 Br -1.1595346 0.1110899 0.3093324 0.1477125 -0.8123313 -0.4322830 0.3129959 -0.4154483 -0.9990318 15 Br -1.1595346 -0.1110899 0.3093324 -0.1477125 -0.8123313 0.4322830 0.3129959 0.4154483 -0.9990318 16 Br -1.1595346 0.1110899 0.3093324 0.1477125 -0.8123313 -0.4322830 0.3129959 -0.4154483 -0.9990318 17 Br -1.4317649 -0.1629785 -0.3579658 -0.1354076 -0.4519999 0.0280410 -0.3079767 0.0263895 -0.7068195 18 Br -1.4317649 0.1629785 -0.3579658 0.1354076 -0.4519999 -0.0280410 -0.3079767 -0.0263895 -0.7068195 19 Br -1.4317649 -0.1629785 -0.3579658 -0.1354076 -0.4519999 0.0280410 -0.3079767 0.0263895 -0.7068195 20 Br -1.4317649 0.1629785 -0.3579658 0.1354076 -0.4519999 -0.0280410 -0.3079767 -0.0263895 -0.7068195 21 Br -0.5121322 0.1208105 0.0521168 0.1212676 -0.7006740 -0.2458701 -0.0256106 -0.2357980 -1.2193195 22 Br -0.5121322 -0.1208105 0.0521168 -0.1212676 -0.7006740 0.2458701 -0.0256106 0.2357980 -1.2193195 23 Br -0.5121322 0.1208105 0.0521168 0.1212676 -0.7006740 -0.2458701 -0.0256106 -0.2357980 -1.2193195 24 Br -1.1595346 -0.1110899 0.3093324 -0.1477125 -0.8123313 0.4322830 0.3129959 0.4154483 -0.9990318 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.652 Solver_block: 200 / 720 - Time: 0.564 Solver_block: 300 / 720 - Time: 0.568 Solver_block: 400 / 720 - Time: 0.557 Solver_block: 500 / 720 - Time: 0.556 Solver_block: 600 / 720 - Time: 0.568 Solver_block: 700 / 720 - Time: 0.562 Solver_block: 720 / 720 - Time: 0.209 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.341 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 240 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), 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 07:04:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:04:35]------------------------- 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 7.358666770521053 0.000000000000000 0.000000000000000 b 0.000000000000000 6.933337669999999 0.000000000000000 c -0.705768407501433 0.000000000000000 13.528069082134932 Atomic positions (fractional): 1 Li 0.64810957906571 0.48825113283595 0.87620700149520 6.941 2 Li 0.35189042093429 0.51174886716405 0.12379299850480 6.941 3 Li 0.35189042093429 0.98825113283595 0.62379299850480 6.941 4 Li 0.64810957906571 0.01174886716405 0.37620700149520 6.941 5 Ga 0.79770411937649 0.32883127908875 0.10214605950376 69.723 6 Ga 0.79770411937649 0.17116872091125 0.60214605950376 69.723 7 Ga 0.20229588062351 0.82883127908875 0.39785394049624 69.723 8 Ga 0.20229588062351 0.67116872091125 0.89785394049624 69.723 9 Br 0.18917103643042 0.67885303138897 0.55109007406880 79.904 10 Br 0.68758970912225 0.85665983187504 0.56655398559029 79.904 11 Br 0.68758970912225 0.64334016812496 0.06655398559029 79.904 12 Br 0.31241029087775 0.14334016812497 0.43344601440971 79.904 13 Br 0.31241029087775 0.35665983187504 0.93344601440971 79.904 14 Br 0.56202180791059 0.31024987303449 0.69069153896504 79.904 15 Br 0.56202180791059 0.18975012696551 0.19069153896504 79.904 16 Br 0.43797819208941 0.68975012696551 0.30930846103496 79.904 17 Br 0.92972360577133 0.67692232824091 0.80381192367246 79.904 18 Br 0.07027639422867 0.17692232824091 0.69618807632754 79.904 19 Br 0.07027639422867 0.32307767175909 0.19618807632754 79.904 20 Br 0.92972360577133 0.82307767175909 0.30381192367246 79.904 21 Br 0.81082896356958 0.17885303138896 0.94890992593120 79.904 22 Br 0.81082896356958 0.32114696861103 0.44890992593120 79.904 23 Br 0.18917103643042 0.82114696861103 0.05109007406880 79.904 24 Br 0.43797819208941 0.81024987303449 0.80930846103496 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.717333541042105 0.000000000000000 0.000000000000000 b 0.000000000000000 13.866675339999999 0.000000000000000 c -0.705768407501433 0.000000000000000 13.528069082134932 Atomic positions (fractional): 1 Li 0.32405478953286 0.24412556641797 0.87620700149520 6.941 > 1 2 Li 0.82405478953286 0.24412556641797 0.87620700149520 6.941 > 1 3 Li 0.32405478953286 0.74412556641797 0.87620700149520 6.941 > 1 4 Li 0.82405478953286 0.74412556641797 0.87620700149520 6.941 > 1 5 Li 0.17594521046714 0.25587443358203 0.12379299850480 6.941 > 5 6 Li 0.67594521046714 0.25587443358203 0.12379299850480 6.941 > 5 7 Li 0.17594521046714 0.75587443358203 0.12379299850480 6.941 > 5 8 Li 0.67594521046714 0.75587443358203 0.12379299850480 6.941 > 5 9 Li 0.17594521046714 0.49412556641797 0.62379299850480 6.941 > 9 10 Li 0.67594521046714 0.49412556641797 0.62379299850480 6.941 > 9 11 Li 0.17594521046714 0.99412556641797 0.62379299850480 6.941 > 9 12 Li 0.67594521046714 0.99412556641797 0.62379299850480 6.941 > 9 13 Li 0.32405478953286 0.00587443358203 0.37620700149520 6.941 > 13 14 Li 0.82405478953286 0.00587443358203 0.37620700149520 6.941 > 13 15 Li 0.32405478953286 0.50587443358203 0.37620700149520 6.941 > 13 16 Li 0.82405478953286 0.50587443358203 0.37620700149520 6.941 > 13 17 Ga 0.39885205968825 0.16441563954438 0.10214605950376 69.723 > 17 18 Ga 0.89885205968825 0.16441563954438 0.10214605950376 69.723 > 17 19 Ga 0.39885205968825 0.66441563954438 0.10214605950376 69.723 > 17 20 Ga 0.89885205968825 0.66441563954438 0.10214605950376 69.723 > 17 21 Ga 0.39885205968825 0.08558436045562 0.60214605950376 69.723 > 21 22 Ga 0.89885205968825 0.08558436045562 0.60214605950376 69.723 > 21 23 Ga 0.39885205968825 0.58558436045562 0.60214605950376 69.723 > 21 24 Ga 0.89885205968825 0.58558436045562 0.60214605950376 69.723 > 21 25 Ga 0.10114794031175 0.41441563954438 0.39785394049624 69.723 > 25 26 Ga 0.60114794031175 0.41441563954438 0.39785394049624 69.723 > 25 27 Ga 0.10114794031175 0.91441563954438 0.39785394049624 69.723 > 25 28 Ga 0.60114794031175 0.91441563954438 0.39785394049624 69.723 > 25 29 Ga 0.10114794031175 0.33558436045562 0.89785394049624 69.723 > 29 30 Ga 0.60114794031175 0.33558436045562 0.89785394049624 69.723 > 29 31 Ga 0.10114794031175 0.83558436045562 0.89785394049624 69.723 > 29 32 Ga 0.60114794031175 0.83558436045562 0.89785394049624 69.723 > 29 33 Br 0.09458551821521 0.33942651569448 0.55109007406880 79.904 > 33 34 Br 0.59458551821521 0.33942651569448 0.55109007406880 79.904 > 33 35 Br 0.09458551821521 0.83942651569448 0.55109007406880 79.904 > 33 36 Br 0.59458551821521 0.83942651569448 0.55109007406880 79.904 > 33 37 Br 0.34379485456112 0.42832991593752 0.56655398559029 79.904 > 37 38 Br 0.84379485456112 0.42832991593752 0.56655398559029 79.904 > 37 39 Br 0.34379485456112 0.92832991593752 0.56655398559029 79.904 > 37 40 Br 0.84379485456112 0.92832991593752 0.56655398559029 79.904 > 37 41 Br 0.34379485456112 0.32167008406248 0.06655398559029 79.904 > 41 42 Br 0.84379485456112 0.32167008406248 0.06655398559029 79.904 > 41 43 Br 0.34379485456112 0.82167008406248 0.06655398559029 79.904 > 41 44 Br 0.84379485456112 0.82167008406248 0.06655398559029 79.904 > 41 45 Br 0.15620514543888 0.07167008406248 0.43344601440971 79.904 > 45 46 Br 0.65620514543888 0.07167008406248 0.43344601440971 79.904 > 45 47 Br 0.15620514543888 0.57167008406248 0.43344601440971 79.904 > 45 48 Br 0.65620514543888 0.57167008406248 0.43344601440971 79.904 > 45 49 Br 0.15620514543888 0.17832991593752 0.93344601440971 79.904 > 49 50 Br 0.65620514543888 0.17832991593752 0.93344601440971 79.904 > 49 51 Br 0.15620514543888 0.67832991593752 0.93344601440971 79.904 > 49 52 Br 0.65620514543888 0.67832991593752 0.93344601440971 79.904 > 49 53 Br 0.28101090395529 0.15512493651724 0.69069153896504 79.904 > 53 54 Br 0.78101090395529 0.15512493651724 0.69069153896504 79.904 > 53 55 Br 0.28101090395529 0.65512493651724 0.69069153896504 79.904 > 53 56 Br 0.78101090395529 0.65512493651724 0.69069153896504 79.904 > 53 57 Br 0.28101090395529 0.09487506348276 0.19069153896504 79.904 > 57 58 Br 0.78101090395529 0.09487506348276 0.19069153896504 79.904 > 57 59 Br 0.28101090395529 0.59487506348276 0.19069153896504 79.904 > 57 60 Br 0.78101090395529 0.59487506348276 0.19069153896504 79.904 > 57 61 Br 0.21898909604471 0.34487506348276 0.30930846103496 79.904 > 61 62 Br 0.71898909604471 0.34487506348276 0.30930846103496 79.904 > 61 63 Br 0.21898909604471 0.84487506348276 0.30930846103496 79.904 > 61 64 Br 0.71898909604471 0.84487506348276 0.30930846103496 79.904 > 61 65 Br 0.46486180288566 0.33846116412045 0.80381192367246 79.904 > 65 66 Br 0.96486180288566 0.33846116412045 0.80381192367246 79.904 > 65 67 Br 0.46486180288566 0.83846116412045 0.80381192367246 79.904 > 65 68 Br 0.96486180288566 0.83846116412045 0.80381192367246 79.904 > 65 69 Br 0.03513819711434 0.08846116412045 0.69618807632754 79.904 > 69 70 Br 0.53513819711434 0.08846116412045 0.69618807632754 79.904 > 69 71 Br 0.03513819711434 0.58846116412045 0.69618807632754 79.904 > 69 72 Br 0.53513819711434 0.58846116412045 0.69618807632754 79.904 > 69 73 Br 0.03513819711434 0.16153883587955 0.19618807632754 79.904 > 73 74 Br 0.53513819711434 0.16153883587955 0.19618807632754 79.904 > 73 75 Br 0.03513819711434 0.66153883587955 0.19618807632754 79.904 > 73 76 Br 0.53513819711434 0.66153883587955 0.19618807632754 79.904 > 73 77 Br 0.46486180288566 0.41153883587955 0.30381192367246 79.904 > 77 78 Br 0.96486180288566 0.41153883587955 0.30381192367246 79.904 > 77 79 Br 0.46486180288566 0.91153883587955 0.30381192367246 79.904 > 77 80 Br 0.96486180288566 0.91153883587955 0.30381192367246 79.904 > 77 81 Br 0.40541448178479 0.08942651569448 0.94890992593120 79.904 > 81 82 Br 0.90541448178479 0.08942651569448 0.94890992593120 79.904 > 81 83 Br 0.40541448178479 0.58942651569448 0.94890992593120 79.904 > 81 84 Br 0.90541448178479 0.58942651569448 0.94890992593120 79.904 > 81 85 Br 0.40541448178479 0.16057348430552 0.44890992593120 79.904 > 85 86 Br 0.90541448178479 0.16057348430552 0.44890992593120 79.904 > 85 87 Br 0.40541448178479 0.66057348430552 0.44890992593120 79.904 > 85 88 Br 0.90541448178479 0.66057348430552 0.44890992593120 79.904 > 85 89 Br 0.09458551821521 0.41057348430552 0.05109007406880 79.904 > 89 90 Br 0.59458551821521 0.41057348430552 0.05109007406880 79.904 > 89 91 Br 0.09458551821521 0.91057348430552 0.05109007406880 79.904 > 89 92 Br 0.59458551821521 0.91057348430552 0.05109007406880 79.904 > 89 93 Br 0.21898909604471 0.40512493651724 0.80930846103496 79.904 > 93 94 Br 0.71898909604471 0.40512493651724 0.80930846103496 79.904 > 93 95 Br 0.21898909604471 0.90512493651724 0.80930846103496 79.904 > 93 96 Br 0.71898909604471 0.90512493651724 0.80930846103496 79.904 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.5193167 0.0000000 0.0301641 0.0000000 3.2003099 0.0000000 0.0301410 0.0000000 3.4726462 -------------------------- Born effective charges -------------------------- 1 Li 1.3181308 0.0045989 -0.0937178 -0.0510136 1.0007930 0.0091969 0.1386304 -0.0135187 1.3028011 2 Li 1.3181308 0.0045989 -0.0937178 -0.0510136 1.0007930 0.0091969 0.1386304 -0.0135187 1.3028011 3 Li 1.3181308 -0.0045989 -0.0937178 0.0510136 1.0007930 -0.0091969 0.1386304 0.0135187 1.3028011 4 Li 1.3181308 -0.0045989 -0.0937178 0.0510136 1.0007930 -0.0091969 0.1386304 0.0135187 1.3028011 5 Ga 2.5662478 -0.0523090 0.1268651 -0.0148905 2.0694529 -0.0601201 -0.0823583 -0.0460986 2.4257239 6 Ga 2.5662478 0.0523090 0.1268651 0.0148905 2.0694529 0.0601201 -0.0823583 0.0460986 2.4257239 7 Ga 2.5662478 0.0523090 0.1268651 0.0148905 2.0694529 0.0601201 -0.0823583 0.0460986 2.4257239 8 Ga 2.5662478 -0.0523090 0.1268651 -0.0148905 2.0694529 -0.0601201 -0.0823583 -0.0460986 2.4257239 9 Br -0.5121322 -0.1208105 0.0521168 -0.1212676 -0.7006740 0.2458701 -0.0256106 0.2357980 -1.2193195 10 Br -0.7809469 -0.2026212 -0.0366306 -0.3106822 -1.1052407 -0.1289204 -0.0356808 -0.0847823 -0.8033544 11 Br -0.7809469 0.2026212 -0.0366306 0.3106822 -1.1052407 0.1289204 -0.0356808 0.0847823 -0.8033544 12 Br -0.7809469 -0.2026212 -0.0366306 -0.3106822 -1.1052407 -0.1289204 -0.0356808 -0.0847823 -0.8033544 13 Br -0.7809469 0.2026212 -0.0366306 0.3106822 -1.1052407 0.1289204 -0.0356808 0.0847823 -0.8033544 14 Br -1.1595346 0.1110899 0.3093324 0.1477125 -0.8123313 -0.4322830 0.3129959 -0.4154483 -0.9990318 15 Br -1.1595346 -0.1110899 0.3093324 -0.1477125 -0.8123313 0.4322830 0.3129959 0.4154483 -0.9990318 16 Br -1.1595346 0.1110899 0.3093324 0.1477125 -0.8123313 -0.4322830 0.3129959 -0.4154483 -0.9990318 17 Br -1.4317649 -0.1629785 -0.3579658 -0.1354076 -0.4519999 0.0280410 -0.3079767 0.0263895 -0.7068195 18 Br -1.4317649 0.1629785 -0.3579658 0.1354076 -0.4519999 -0.0280410 -0.3079767 -0.0263895 -0.7068195 19 Br -1.4317649 -0.1629785 -0.3579658 -0.1354076 -0.4519999 0.0280410 -0.3079767 0.0263895 -0.7068195 20 Br -1.4317649 0.1629785 -0.3579658 0.1354076 -0.4519999 -0.0280410 -0.3079767 -0.0263895 -0.7068195 21 Br -0.5121322 0.1208105 0.0521168 0.1212676 -0.7006740 -0.2458701 -0.0256106 -0.2357980 -1.2193195 22 Br -0.5121322 -0.1208105 0.0521168 -0.1212676 -0.7006740 0.2458701 -0.0256106 0.2357980 -1.2193195 23 Br -0.5121322 0.1208105 0.0521168 0.1212676 -0.7006740 -0.2458701 -0.0256106 -0.2357980 -1.2193195 24 Br -1.1595346 -0.1110899 0.3093324 -0.1477125 -0.8123313 0.4322830 0.3129959 0.4154483 -0.9990318 ---------------------------------------------------------------------------- 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] [-0.0005 0.0000 0.0100] [ 0.0005 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] [-0.0005 0.0000 0.0100] [ 0.0005 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 37, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 53, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Computing fc3[ 65, 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] [-0.0005 0.0000 0.0100] [ 0.0005 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) 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 07:04:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:04:57]------------------------- 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 7.358666770521053 0.000000000000000 0.000000000000000 b 0.000000000000000 6.933337669999999 0.000000000000000 c -0.705768407501433 0.000000000000000 13.528069082134932 Atomic positions (fractional): 1 Li 0.64810957906571 0.48825113283595 0.87620700149520 6.941 2 Li 0.35189042093429 0.51174886716405 0.12379299850480 6.941 3 Li 0.35189042093429 0.98825113283595 0.62379299850480 6.941 4 Li 0.64810957906571 0.01174886716405 0.37620700149520 6.941 5 Ga 0.79770411937649 0.32883127908875 0.10214605950376 69.723 6 Ga 0.79770411937649 0.17116872091125 0.60214605950376 69.723 7 Ga 0.20229588062351 0.82883127908875 0.39785394049624 69.723 8 Ga 0.20229588062351 0.67116872091125 0.89785394049624 69.723 9 Br 0.18917103643042 0.67885303138897 0.55109007406880 79.904 10 Br 0.68758970912225 0.85665983187504 0.56655398559029 79.904 11 Br 0.68758970912225 0.64334016812496 0.06655398559029 79.904 12 Br 0.31241029087775 0.14334016812497 0.43344601440971 79.904 13 Br 0.31241029087775 0.35665983187504 0.93344601440971 79.904 14 Br 0.56202180791059 0.31024987303449 0.69069153896504 79.904 15 Br 0.56202180791059 0.18975012696551 0.19069153896504 79.904 16 Br 0.43797819208941 0.68975012696551 0.30930846103496 79.904 17 Br 0.92972360577133 0.67692232824091 0.80381192367246 79.904 18 Br 0.07027639422867 0.17692232824091 0.69618807632754 79.904 19 Br 0.07027639422867 0.32307767175909 0.19618807632754 79.904 20 Br 0.92972360577133 0.82307767175909 0.30381192367246 79.904 21 Br 0.81082896356958 0.17885303138896 0.94890992593120 79.904 22 Br 0.81082896356958 0.32114696861103 0.44890992593120 79.904 23 Br 0.18917103643042 0.82114696861103 0.05109007406880 79.904 24 Br 0.43797819208941 0.81024987303449 0.80930846103496 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.717333541042105 0.000000000000000 0.000000000000000 b 0.000000000000000 13.866675339999999 0.000000000000000 c -0.705768407501433 0.000000000000000 13.528069082134932 Atomic positions (fractional): 1 Li 0.32405478953286 0.24412556641797 0.87620700149520 6.941 > 1 2 Li 0.82405478953286 0.24412556641797 0.87620700149520 6.941 > 1 3 Li 0.32405478953286 0.74412556641797 0.87620700149520 6.941 > 1 4 Li 0.82405478953286 0.74412556641797 0.87620700149520 6.941 > 1 5 Li 0.17594521046714 0.25587443358203 0.12379299850480 6.941 > 5 6 Li 0.67594521046714 0.25587443358203 0.12379299850480 6.941 > 5 7 Li 0.17594521046714 0.75587443358203 0.12379299850480 6.941 > 5 8 Li 0.67594521046714 0.75587443358203 0.12379299850480 6.941 > 5 9 Li 0.17594521046714 0.49412556641797 0.62379299850480 6.941 > 9 10 Li 0.67594521046714 0.49412556641797 0.62379299850480 6.941 > 9 11 Li 0.17594521046714 0.99412556641797 0.62379299850480 6.941 > 9 12 Li 0.67594521046714 0.99412556641797 0.62379299850480 6.941 > 9 13 Li 0.32405478953286 0.00587443358203 0.37620700149520 6.941 > 13 14 Li 0.82405478953286 0.00587443358203 0.37620700149520 6.941 > 13 15 Li 0.32405478953286 0.50587443358203 0.37620700149520 6.941 > 13 16 Li 0.82405478953286 0.50587443358203 0.37620700149520 6.941 > 13 17 Ga 0.39885205968825 0.16441563954438 0.10214605950376 69.723 > 17 18 Ga 0.89885205968825 0.16441563954438 0.10214605950376 69.723 > 17 19 Ga 0.39885205968825 0.66441563954438 0.10214605950376 69.723 > 17 20 Ga 0.89885205968825 0.66441563954438 0.10214605950376 69.723 > 17 21 Ga 0.39885205968825 0.08558436045562 0.60214605950376 69.723 > 21 22 Ga 0.89885205968825 0.08558436045562 0.60214605950376 69.723 > 21 23 Ga 0.39885205968825 0.58558436045562 0.60214605950376 69.723 > 21 24 Ga 0.89885205968825 0.58558436045562 0.60214605950376 69.723 > 21 25 Ga 0.10114794031175 0.41441563954438 0.39785394049624 69.723 > 25 26 Ga 0.60114794031175 0.41441563954438 0.39785394049624 69.723 > 25 27 Ga 0.10114794031175 0.91441563954438 0.39785394049624 69.723 > 25 28 Ga 0.60114794031175 0.91441563954438 0.39785394049624 69.723 > 25 29 Ga 0.10114794031175 0.33558436045562 0.89785394049624 69.723 > 29 30 Ga 0.60114794031175 0.33558436045562 0.89785394049624 69.723 > 29 31 Ga 0.10114794031175 0.83558436045562 0.89785394049624 69.723 > 29 32 Ga 0.60114794031175 0.83558436045562 0.89785394049624 69.723 > 29 33 Br 0.09458551821521 0.33942651569448 0.55109007406880 79.904 > 33 34 Br 0.59458551821521 0.33942651569448 0.55109007406880 79.904 > 33 35 Br 0.09458551821521 0.83942651569448 0.55109007406880 79.904 > 33 36 Br 0.59458551821521 0.83942651569448 0.55109007406880 79.904 > 33 37 Br 0.34379485456112 0.42832991593752 0.56655398559029 79.904 > 37 38 Br 0.84379485456112 0.42832991593752 0.56655398559029 79.904 > 37 39 Br 0.34379485456112 0.92832991593752 0.56655398559029 79.904 > 37 40 Br 0.84379485456112 0.92832991593752 0.56655398559029 79.904 > 37 41 Br 0.34379485456112 0.32167008406248 0.06655398559029 79.904 > 41 42 Br 0.84379485456112 0.32167008406248 0.06655398559029 79.904 > 41 43 Br 0.34379485456112 0.82167008406248 0.06655398559029 79.904 > 41 44 Br 0.84379485456112 0.82167008406248 0.06655398559029 79.904 > 41 45 Br 0.15620514543888 0.07167008406248 0.43344601440971 79.904 > 45 46 Br 0.65620514543888 0.07167008406248 0.43344601440971 79.904 > 45 47 Br 0.15620514543888 0.57167008406248 0.43344601440971 79.904 > 45 48 Br 0.65620514543888 0.57167008406248 0.43344601440971 79.904 > 45 49 Br 0.15620514543888 0.17832991593752 0.93344601440971 79.904 > 49 50 Br 0.65620514543888 0.17832991593752 0.93344601440971 79.904 > 49 51 Br 0.15620514543888 0.67832991593752 0.93344601440971 79.904 > 49 52 Br 0.65620514543888 0.67832991593752 0.93344601440971 79.904 > 49 53 Br 0.28101090395529 0.15512493651724 0.69069153896504 79.904 > 53 54 Br 0.78101090395529 0.15512493651724 0.69069153896504 79.904 > 53 55 Br 0.28101090395529 0.65512493651724 0.69069153896504 79.904 > 53 56 Br 0.78101090395529 0.65512493651724 0.69069153896504 79.904 > 53 57 Br 0.28101090395529 0.09487506348276 0.19069153896504 79.904 > 57 58 Br 0.78101090395529 0.09487506348276 0.19069153896504 79.904 > 57 59 Br 0.28101090395529 0.59487506348276 0.19069153896504 79.904 > 57 60 Br 0.78101090395529 0.59487506348276 0.19069153896504 79.904 > 57 61 Br 0.21898909604471 0.34487506348276 0.30930846103496 79.904 > 61 62 Br 0.71898909604471 0.34487506348276 0.30930846103496 79.904 > 61 63 Br 0.21898909604471 0.84487506348276 0.30930846103496 79.904 > 61 64 Br 0.71898909604471 0.84487506348276 0.30930846103496 79.904 > 61 65 Br 0.46486180288566 0.33846116412045 0.80381192367246 79.904 > 65 66 Br 0.96486180288566 0.33846116412045 0.80381192367246 79.904 > 65 67 Br 0.46486180288566 0.83846116412045 0.80381192367246 79.904 > 65 68 Br 0.96486180288566 0.83846116412045 0.80381192367246 79.904 > 65 69 Br 0.03513819711434 0.08846116412045 0.69618807632754 79.904 > 69 70 Br 0.53513819711434 0.08846116412045 0.69618807632754 79.904 > 69 71 Br 0.03513819711434 0.58846116412045 0.69618807632754 79.904 > 69 72 Br 0.53513819711434 0.58846116412045 0.69618807632754 79.904 > 69 73 Br 0.03513819711434 0.16153883587955 0.19618807632754 79.904 > 73 74 Br 0.53513819711434 0.16153883587955 0.19618807632754 79.904 > 73 75 Br 0.03513819711434 0.66153883587955 0.19618807632754 79.904 > 73 76 Br 0.53513819711434 0.66153883587955 0.19618807632754 79.904 > 73 77 Br 0.46486180288566 0.41153883587955 0.30381192367246 79.904 > 77 78 Br 0.96486180288566 0.41153883587955 0.30381192367246 79.904 > 77 79 Br 0.46486180288566 0.91153883587955 0.30381192367246 79.904 > 77 80 Br 0.96486180288566 0.91153883587955 0.30381192367246 79.904 > 77 81 Br 0.40541448178479 0.08942651569448 0.94890992593120 79.904 > 81 82 Br 0.90541448178479 0.08942651569448 0.94890992593120 79.904 > 81 83 Br 0.40541448178479 0.58942651569448 0.94890992593120 79.904 > 81 84 Br 0.90541448178479 0.58942651569448 0.94890992593120 79.904 > 81 85 Br 0.40541448178479 0.16057348430552 0.44890992593120 79.904 > 85 86 Br 0.90541448178479 0.16057348430552 0.44890992593120 79.904 > 85 87 Br 0.40541448178479 0.66057348430552 0.44890992593120 79.904 > 85 88 Br 0.90541448178479 0.66057348430552 0.44890992593120 79.904 > 85 89 Br 0.09458551821521 0.41057348430552 0.05109007406880 79.904 > 89 90 Br 0.59458551821521 0.41057348430552 0.05109007406880 79.904 > 89 91 Br 0.09458551821521 0.91057348430552 0.05109007406880 79.904 > 89 92 Br 0.59458551821521 0.91057348430552 0.05109007406880 79.904 > 89 93 Br 0.21898909604471 0.40512493651724 0.80930846103496 79.904 > 93 94 Br 0.71898909604471 0.40512493651724 0.80930846103496 79.904 > 93 95 Br 0.21898909604471 0.90512493651724 0.80930846103496 79.904 > 93 96 Br 0.71898909604471 0.90512493651724 0.80930846103496 79.904 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.5193167 0.0000000 0.0301641 0.0000000 3.2003099 0.0000000 0.0301410 0.0000000 3.4726462 -------------------------- Born effective charges -------------------------- 1 Li 1.3181308 0.0045989 -0.0937178 -0.0510136 1.0007930 0.0091969 0.1386304 -0.0135187 1.3028011 2 Li 1.3181308 0.0045989 -0.0937178 -0.0510136 1.0007930 0.0091969 0.1386304 -0.0135187 1.3028011 3 Li 1.3181308 -0.0045989 -0.0937178 0.0510136 1.0007930 -0.0091969 0.1386304 0.0135187 1.3028011 4 Li 1.3181308 -0.0045989 -0.0937178 0.0510136 1.0007930 -0.0091969 0.1386304 0.0135187 1.3028011 5 Ga 2.5662478 -0.0523090 0.1268651 -0.0148905 2.0694529 -0.0601201 -0.0823583 -0.0460986 2.4257239 6 Ga 2.5662478 0.0523090 0.1268651 0.0148905 2.0694529 0.0601201 -0.0823583 0.0460986 2.4257239 7 Ga 2.5662478 0.0523090 0.1268651 0.0148905 2.0694529 0.0601201 -0.0823583 0.0460986 2.4257239 8 Ga 2.5662478 -0.0523090 0.1268651 -0.0148905 2.0694529 -0.0601201 -0.0823583 -0.0460986 2.4257239 9 Br -0.5121322 -0.1208105 0.0521168 -0.1212676 -0.7006740 0.2458701 -0.0256106 0.2357980 -1.2193195 10 Br -0.7809469 -0.2026212 -0.0366306 -0.3106822 -1.1052407 -0.1289204 -0.0356808 -0.0847823 -0.8033544 11 Br -0.7809469 0.2026212 -0.0366306 0.3106822 -1.1052407 0.1289204 -0.0356808 0.0847823 -0.8033544 12 Br -0.7809469 -0.2026212 -0.0366306 -0.3106822 -1.1052407 -0.1289204 -0.0356808 -0.0847823 -0.8033544 13 Br -0.7809469 0.2026212 -0.0366306 0.3106822 -1.1052407 0.1289204 -0.0356808 0.0847823 -0.8033544 14 Br -1.1595346 0.1110899 0.3093324 0.1477125 -0.8123313 -0.4322830 0.3129959 -0.4154483 -0.9990318 15 Br -1.1595346 -0.1110899 0.3093324 -0.1477125 -0.8123313 0.4322830 0.3129959 0.4154483 -0.9990318 16 Br -1.1595346 0.1110899 0.3093324 0.1477125 -0.8123313 -0.4322830 0.3129959 -0.4154483 -0.9990318 17 Br -1.4317649 -0.1629785 -0.3579658 -0.1354076 -0.4519999 0.0280410 -0.3079767 0.0263895 -0.7068195 18 Br -1.4317649 0.1629785 -0.3579658 0.1354076 -0.4519999 -0.0280410 -0.3079767 -0.0263895 -0.7068195 19 Br -1.4317649 -0.1629785 -0.3579658 -0.1354076 -0.4519999 0.0280410 -0.3079767 0.0263895 -0.7068195 20 Br -1.4317649 0.1629785 -0.3579658 0.1354076 -0.4519999 -0.0280410 -0.3079767 -0.0263895 -0.7068195 21 Br -0.5121322 0.1208105 0.0521168 0.1212676 -0.7006740 -0.2458701 -0.0256106 -0.2357980 -1.2193195 22 Br -0.5121322 -0.1208105 0.0521168 -0.1212676 -0.7006740 0.2458701 -0.0256106 0.2357980 -1.2193195 23 Br -0.5121322 0.1208105 0.0521168 0.1212676 -0.7006740 -0.2458701 -0.0256106 -0.2357980 -1.2193195 24 Br -1.1595346 -0.1110899 0.3093324 -0.1477125 -0.8123313 0.4322830 0.3129959 0.4154483 -0.9990318 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (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 ... [ 7 7 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: 0.47, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 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 0.546 ( 0.000 0.000 0.000) 0.000 0.810 ( 0.000 0.000 0.000) 0.000 0.862 ( 0.000 0.000 0.000) 0.000 0.889 ( 0.000 0.000 0.000) 0.000 0.904 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 0.000) 0.000 1.087 ( 0.000 0.000 0.000) 0.000 1.209 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.330 ( 0.000 0.000 0.000) 0.000 1.345 ( 0.000 0.000 0.000) 0.000 1.355 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.540 ( 0.000 0.000 0.000) 0.000 1.620 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.775 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.905 ( 0.000 0.000 0.000) 0.000 2.148 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.239 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.746 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.151 ( 0.000 0.000 0.000) 0.000 3.162 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.307 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 5.173 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.917 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.140 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.200 ( 0.000 0.000 0.000) 0.000 6.643 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 7.020 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.647 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.815 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.368 ( 0.000 0.000 0.000) 0.000 8.475 ( 0.000 0.000 0.000) 0.000 8.513 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.080 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.194 ( 10.125 0.000 4.681) 11.154 0.247 ( 12.869 0.000 1.352) 12.940 0.517 ( 22.844 0.000 1.273) 22.880 0.583 ( 5.617 0.000 -2.005) 5.964 0.878 ( 1.058 0.000 2.647) 2.850 0.889 ( 5.104 0.000 1.126) 5.227 0.915 ( 3.579 0.000 -2.092) 4.145 0.925 ( 1.866 0.000 -0.146) 1.872 1.046 ( -1.595 0.000 3.378) 3.736 1.138 ( 2.039 0.000 -0.037) 2.039 1.178 ( -1.264 0.000 -5.023) 5.179 1.237 ( 0.837 0.000 0.178) 0.855 1.250 ( -4.425 0.000 -1.290) 4.610 1.341 ( 0.333 0.000 -2.443) 2.466 1.356 ( 1.754 0.000 -2.382) 2.958 1.395 ( -0.917 0.000 1.252) 1.551 1.408 ( 5.735 0.000 5.125) 7.691 1.416 ( 0.783 0.000 -1.212) 1.443 1.555 ( 2.181 0.000 1.008) 2.403 1.591 ( -2.405 0.000 0.772) 2.526 1.717 ( 0.153 0.000 -2.903) 2.907 1.766 ( -1.354 0.000 1.063) 1.722 1.805 ( -0.433 0.000 1.469) 1.531 1.874 ( -1.897 0.000 -2.587) 3.208 2.132 ( -1.923 0.000 0.169) 1.931 2.146 ( -1.087 0.000 1.951) 2.233 2.183 ( 2.019 0.000 0.571) 2.099 2.255 ( 1.040 0.000 -1.314) 1.676 2.307 ( -0.163 0.000 -0.174) 0.238 2.379 ( 1.249 0.000 -0.063) 1.251 2.527 ( -0.034 0.000 -1.424) 1.424 2.588 ( -1.528 0.000 1.238) 1.967 2.645 ( -0.642 0.000 -2.649) 2.725 2.649 ( 1.110 0.000 0.973) 1.476 2.756 ( 0.239 0.000 -0.024) 0.241 2.763 ( 1.272 0.000 1.508) 1.973 2.888 ( 0.350 0.000 -1.005) 1.064 2.942 ( -3.247 0.000 0.901) 3.370 3.056 ( 0.303 0.000 1.111) 1.152 3.073 ( 3.113 0.000 -2.474) 3.976 3.166 ( -3.279 0.000 -0.016) 3.279 3.170 ( 0.627 0.000 -0.016) 0.628 3.289 ( 1.844 0.000 2.472) 3.084 3.290 ( -1.568 0.000 -0.980) 1.849 4.308 ( 1.338 0.000 -2.314) 2.673 4.635 ( -2.444 0.000 3.645) 4.388 4.793 ( 0.284 0.000 1.228) 1.261 5.083 ( -7.352 0.000 -1.185) 7.447 5.888 ( -0.608 0.000 0.477) 0.773 5.908 ( 0.530 0.000 -0.097) 0.538 5.942 ( -0.562 0.000 -1.396) 1.505 5.955 ( 0.434 0.000 0.780) 0.892 6.160 ( 2.218 0.000 0.436) 2.260 6.198 ( 3.991 0.000 -0.222) 3.997 6.313 ( 8.184 0.000 2.656) 8.604 6.628 ( -1.256 0.000 -3.031) 3.281 6.676 ( 3.048 0.000 -0.034) 3.048 6.771 ( 1.719 0.000 -19.044) 19.121 7.209 ( 6.991 0.000 -3.235) 7.703 7.483 ( -1.851 0.000 24.368) 24.438 7.663 ( 1.177 0.000 1.384) 1.817 7.818 ( 0.228 0.000 2.880) 2.889 8.125 ( -2.939 0.000 -0.782) 3.042 8.255 ( -4.926 0.000 -3.133) 5.838 8.468 ( 1.421 0.000 -22.099) 22.145 8.488 ( -2.101 0.000 2.280) 3.101 8.515 ( 2.481 0.000 1.462) 2.880 8.579 ( -1.292 0.000 -2.968) 3.237 8.876 ( -0.393 0.000 19.221) 19.225 8.971 ( -4.560 0.000 -1.240) 4.726 9.042 ( -3.062 0.000 1.176) 3.281 9.095 ( -2.443 0.000 -0.689) 2.538 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 10.523 0.000 3.304) 11.029 0.496 ( 12.146 0.000 1.349) 12.220 0.649 ( 4.828 0.000 -3.007) 5.688 0.886 ( 4.688 0.000 2.485) 5.306 0.902 ( -2.342 0.000 -0.963) 2.532 0.953 ( 3.111 0.000 1.749) 3.569 0.986 ( 0.449 0.000 -1.014) 1.109 0.999 ( 14.073 0.000 0.790) 14.095 1.057 ( 0.969 0.000 6.053) 6.130 1.150 ( 2.164 0.000 -4.600) 5.084 1.158 ( -4.734 0.000 -2.339) 5.280 1.177 ( 2.182 0.000 -2.291) 3.164 1.273 ( 0.796 0.000 1.683) 1.862 1.279 ( -4.856 0.000 -3.713) 6.113 1.344 ( -2.380 0.000 1.551) 2.841 1.417 ( 4.312 0.000 1.124) 4.456 1.481 ( 3.615 0.000 0.288) 3.627 1.508 ( 3.156 0.000 0.944) 3.294 1.551 ( -1.570 0.000 -1.062) 1.895 1.627 ( 3.416 0.000 0.906) 3.534 1.699 ( -0.959 0.000 -2.569) 2.742 1.733 ( -1.263 0.000 1.492) 1.955 1.799 ( -0.190 0.000 2.087) 2.095 1.871 ( 2.235 0.000 -2.734) 3.531 2.080 ( -3.332 0.000 -0.513) 3.371 2.123 ( -1.123 0.000 1.222) 1.659 2.229 ( 2.489 0.000 1.577) 2.947 2.277 ( 1.255 0.000 -1.108) 1.674 2.310 ( 0.585 0.000 -0.829) 1.015 2.407 ( 1.276 0.000 0.391) 1.334 2.524 ( 0.054 0.000 -2.446) 2.446 2.525 ( -4.722 0.000 2.209) 5.213 2.634 ( -0.046 0.000 -2.566) 2.566 2.683 ( 1.749 0.000 1.460) 2.278 2.766 ( 0.793 0.000 -0.101) 0.800 2.788 ( 0.795 0.000 1.197) 1.437 2.886 ( -2.414 0.000 1.901) 3.073 2.897 ( 0.868 0.000 -1.515) 1.745 3.072 ( 0.873 0.000 2.203) 2.370 3.079 ( -2.393 0.000 -2.728) 3.629 3.150 ( 1.800 0.000 1.338) 2.243 3.171 ( -0.756 0.000 -1.248) 1.459 3.256 ( -1.371 0.000 -0.709) 1.544 3.314 ( 0.589 0.000 1.208) 1.344 4.337 ( 1.787 0.000 -2.836) 3.352 4.603 ( -0.889 0.000 4.053) 4.149 4.801 ( 0.420 0.000 -0.202) 0.466 4.946 ( -5.792 0.000 -0.845) 5.854 5.885 ( 0.084 0.000 0.458) 0.465 5.915 ( 0.146 0.000 -0.069) 0.161 5.927 ( -0.738 0.000 -0.818) 1.102 5.947 ( -0.927 0.000 0.398) 1.009 6.232 ( 5.128 0.000 1.300) 5.290 6.287 ( 4.441 0.000 -0.761) 4.506 6.435 ( 3.763 0.000 3.178) 4.925 6.588 ( -2.533 0.000 -5.152) 5.741 6.764 ( 4.806 0.000 2.347) 5.348 6.775 ( -0.100 0.000 -7.440) 7.441 7.383 ( 10.247 0.000 -4.970) 11.388 7.470 ( -1.157 0.000 9.190) 9.263 7.667 ( -1.444 0.000 0.476) 1.520 7.837 ( 1.834 0.000 3.766) 4.189 8.073 ( -1.554 0.000 0.066) 1.556 8.148 ( -5.765 0.000 0.914) 5.837 8.449 ( -2.062 0.000 2.352) 3.128 8.477 ( 1.279 0.000 -11.315) 11.387 8.522 ( -3.901 0.000 -3.341) 5.136 8.550 ( 0.593 0.000 4.009) 4.053 8.862 ( -5.474 0.000 -2.051) 5.845 8.891 ( 0.407 0.000 6.240) 6.254 8.991 ( -2.054 0.000 1.173) 2.365 9.035 ( -3.032 0.000 -0.456) 3.066 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( 8.464 0.000 1.569) 8.608 0.671 ( 4.105 0.000 0.370) 4.122 0.761 ( 6.542 0.000 -1.578) 6.730 0.811 ( -5.932 0.000 -0.751) 5.979 0.934 ( 1.246 0.000 1.816) 2.202 0.977 ( 0.931 0.000 4.318) 4.417 0.991 ( 0.241 0.000 0.105) 0.262 1.036 ( -1.434 0.000 1.648) 2.185 1.049 ( -5.794 0.000 -4.556) 7.371 1.145 ( -0.968 0.000 -1.778) 2.025 1.190 ( 1.687 0.000 -3.724) 4.088 1.249 ( 0.938 0.000 0.005) 0.938 1.291 ( 3.228 0.000 2.387) 4.014 1.299 ( 0.952 0.000 -1.025) 1.399 1.307 ( 4.005 0.000 1.331) 4.220 1.458 ( -0.096 0.000 1.498) 1.501 1.491 ( -3.574 0.000 -0.608) 3.626 1.548 ( 2.492 0.000 0.778) 2.610 1.580 ( 3.745 0.000 -1.506) 4.037 1.620 ( -2.263 0.000 0.988) 2.469 1.687 ( -0.724 0.000 -0.912) 1.165 1.758 ( 1.886 0.000 0.356) 1.919 1.807 ( 0.644 0.000 1.125) 1.296 1.929 ( 2.511 0.000 -0.995) 2.701 2.013 ( -2.692 0.000 -0.841) 2.821 2.110 ( -0.343 0.000 0.569) 0.664 2.278 ( 1.977 0.000 0.748) 2.114 2.296 ( 0.650 0.000 -0.434) 0.781 2.328 ( 1.466 0.000 -1.492) 2.092 2.419 ( 0.019 0.000 0.226) 0.227 2.430 ( -4.402 0.000 2.057) 4.859 2.528 ( 0.397 0.000 -1.290) 1.350 2.637 ( 0.350 0.000 -1.101) 1.155 2.709 ( 0.660 0.000 0.745) 0.996 2.779 ( 0.366 0.000 -0.091) 0.378 2.788 ( -0.546 0.000 0.503) 0.742 2.863 ( -0.299 0.000 0.976) 1.021 2.921 ( 1.354 0.000 -1.032) 1.703 3.036 ( -1.333 0.000 -0.908) 1.613 3.071 ( -1.312 0.000 2.415) 2.749 3.156 ( 0.013 0.000 -2.330) 2.330 3.182 ( 0.926 0.000 0.496) 1.050 3.242 ( -0.276 0.000 0.354) 0.449 3.319 ( -0.006 0.000 0.336) 0.336 4.363 ( 0.842 0.000 -1.245) 1.503 4.604 ( 0.250 0.000 1.773) 1.790 4.807 ( 0.179 0.000 -0.189) 0.260 4.868 ( -2.130 0.000 -0.348) 2.158 5.890 ( 0.286 0.000 0.220) 0.361 5.913 ( -0.274 0.000 -0.275) 0.389 5.918 ( -0.121 0.000 -0.032) 0.125 5.929 ( -0.688 0.000 0.074) 0.691 6.349 ( 5.765 0.000 2.657) 6.348 6.351 ( 1.890 0.000 -0.391) 1.930 6.481 ( 1.094 0.000 1.057) 1.521 6.514 ( -4.260 0.000 -4.972) 6.547 6.759 ( -0.608 0.000 -1.676) 1.783 6.832 ( 1.681 0.000 1.897) 2.534 7.460 ( -0.496 0.000 2.772) 2.816 7.524 ( 2.782 0.000 -1.625) 3.221 7.640 ( 0.352 0.000 -1.614) 1.652 7.907 ( 4.836 0.000 2.105) 5.274 8.033 ( -6.047 0.000 0.148) 6.049 8.067 ( 0.276 0.000 1.099) 1.133 8.419 ( -0.928 0.000 0.055) 0.930 8.451 ( -2.365 0.000 -0.646) 2.452 8.493 ( 1.129 0.000 -5.640) 5.752 8.546 ( -1.046 0.000 3.934) 4.071 8.782 ( -2.081 0.000 -1.173) 2.389 8.904 ( 0.301 0.000 1.547) 1.576 8.961 ( -1.029 0.000 0.399) 1.104 8.997 ( -0.831 0.000 -0.104) 0.837 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( 0.000 10.327 0.000) 10.327 0.223 ( 0.000 10.958 0.000) 10.958 0.265 ( 0.000 12.366 0.000) 12.366 0.593 ( 0.000 4.389 0.000) 4.389 0.818 ( 0.000 -0.153 0.000) 0.153 0.852 ( 0.000 -0.491 0.000) 0.491 0.905 ( 0.000 0.156 0.000) 0.156 0.917 ( 0.000 2.107 0.000) 2.107 1.083 ( 0.000 -0.513 0.000) 0.513 1.085 ( 0.000 0.987 0.000) 0.987 1.226 ( 0.000 -2.397 0.000) 2.397 1.227 ( 0.000 -2.774 0.000) 2.774 1.287 ( 0.000 0.039 0.000) 0.039 1.306 ( 0.000 -2.091 0.000) 2.091 1.321 ( 0.000 -0.924 0.000) 0.924 1.371 ( 0.000 1.322 0.000) 1.322 1.394 ( 0.000 2.411 0.000) 2.411 1.449 ( 0.000 0.602 0.000) 0.602 1.548 ( 0.000 0.488 0.000) 0.488 1.606 ( 0.000 -1.305 0.000) 1.305 1.711 ( 0.000 0.053 0.000) 0.053 1.771 ( 0.000 -0.404 0.000) 0.404 1.810 ( 0.000 0.139 0.000) 0.139 1.897 ( 0.000 -0.638 0.000) 0.638 2.135 ( 0.000 -1.384 0.000) 1.384 2.143 ( 0.000 -2.091 0.000) 2.091 2.158 ( 0.000 0.445 0.000) 0.445 2.244 ( 0.000 0.251 0.000) 0.251 2.309 ( 0.000 0.012 0.000) 0.012 2.363 ( 0.000 -0.251 0.000) 0.251 2.530 ( 0.000 0.176 0.000) 0.176 2.584 ( 0.000 -0.639 0.000) 0.639 2.664 ( 0.000 0.764 0.000) 0.764 2.675 ( 0.000 1.478 0.000) 1.478 2.739 ( 0.000 -1.319 0.000) 1.319 2.750 ( 0.000 0.287 0.000) 0.287 2.903 ( 0.000 0.581 0.000) 0.581 2.980 ( 0.000 -0.573 0.000) 0.573 3.028 ( 0.000 1.468 0.000) 1.468 3.057 ( 0.000 0.110 0.000) 0.110 3.140 ( 0.000 -0.897 0.000) 0.897 3.164 ( 0.000 -0.024 0.000) 0.024 3.253 ( 0.000 0.566 0.000) 0.566 3.306 ( 0.000 -0.065 0.000) 0.065 4.306 ( 0.000 1.156 0.000) 1.156 4.783 ( 0.000 -0.819 0.000) 0.819 5.016 ( 0.000 0.036 0.000) 0.036 5.119 ( 0.000 -4.554 0.000) 4.554 5.900 ( 0.000 -0.231 0.000) 0.231 5.901 ( 0.000 -0.059 0.000) 0.059 5.911 ( 0.000 -0.430 0.000) 0.430 5.919 ( 0.000 -0.272 0.000) 0.272 6.134 ( 0.000 -0.524 0.000) 0.524 6.136 ( 0.000 -0.316 0.000) 0.316 6.159 ( 0.000 -0.129 0.000) 0.129 6.198 ( 0.000 -0.407 0.000) 0.407 6.643 ( 0.000 -0.013 0.000) 0.013 6.645 ( 0.000 -0.377 0.000) 0.377 7.041 ( 0.000 1.754 0.000) 1.754 7.170 ( 0.000 -0.119 0.000) 0.119 7.657 ( 0.000 1.100 0.000) 1.100 7.768 ( 0.000 1.184 0.000) 1.184 7.825 ( 0.000 0.867 0.000) 0.867 8.381 ( 0.000 -7.999 0.000) 7.999 8.421 ( 0.000 4.775 0.000) 4.775 8.521 ( 0.000 0.794 0.000) 0.794 8.576 ( 0.000 0.201 0.000) 0.201 8.711 ( 0.000 -0.231 0.000) 0.231 8.936 ( 0.000 -5.175 0.000) 5.175 9.044 ( 0.000 -1.833 0.000) 1.833 9.130 ( 0.000 1.051 0.000) 1.051 9.136 ( 0.000 2.527 0.000) 2.527 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 6.266 7.551 4.941) 10.986 0.337 ( 9.210 7.401 -1.272) 11.884 0.562 ( 18.167 3.910 0.823) 18.601 0.627 ( 6.122 4.157 -1.422) 7.536 0.856 ( 0.813 -1.100 2.764) 3.084 0.898 ( 6.068 0.435 -0.678) 6.121 0.924 ( 1.882 0.052 -0.557) 1.963 0.940 ( 2.196 1.735 -0.537) 2.850 1.042 ( -1.741 -0.471 2.454) 3.045 1.139 ( 0.799 -0.151 -0.320) 0.873 1.196 ( 0.168 -0.539 -5.336) 5.365 1.234 ( -2.787 0.661 1.880) 3.426 1.236 ( 0.503 -0.366 -0.976) 1.157 1.314 ( 0.380 -2.179 -0.165) 2.218 1.356 ( 2.080 -0.050 -2.206) 3.032 1.400 ( 2.558 0.475 -0.211) 2.611 1.407 ( -1.483 0.636 0.508) 1.692 1.444 ( 2.651 1.065 1.513) 3.233 1.548 ( 0.324 -0.466 1.562) 1.662 1.588 ( -0.917 -0.289 0.392) 1.038 1.714 ( 0.103 -0.252 -2.865) 2.878 1.763 ( -1.652 -0.405 0.531) 1.782 1.798 ( -0.459 -0.218 2.244) 2.301 1.870 ( -1.705 -0.378 -1.951) 2.618 2.122 ( -1.308 -0.878 0.072) 1.578 2.138 ( -0.840 -1.084 1.094) 1.754 2.177 ( 1.806 -0.212 1.496) 2.355 2.251 ( 0.729 -0.350 -1.112) 1.375 2.312 ( 0.247 0.353 -0.092) 0.441 2.373 ( 0.965 -0.452 -0.167) 1.078 2.529 ( -0.028 0.191 -1.065) 1.082 2.586 ( -0.730 -0.115 0.940) 1.196 2.652 ( -0.598 0.823 -1.516) 1.825 2.662 ( -0.167 0.722 0.017) 0.741 2.748 ( 0.630 -0.760 0.375) 1.056 2.762 ( 1.033 0.041 1.410) 1.749 2.891 ( -0.418 0.433 -0.687) 0.913 2.947 ( -2.355 0.355 1.026) 2.593 3.059 ( 0.335 0.218 1.157) 1.224 3.076 ( 2.699 0.302 -2.042) 3.398 3.135 ( -1.294 -1.513 -1.063) 2.257 3.170 ( 0.571 -0.181 0.288) 0.664 3.281 ( 1.066 -0.255 1.072) 1.533 3.293 ( -0.699 0.012 0.183) 0.723 4.319 ( 1.474 1.270 -1.946) 2.752 4.756 ( -8.129 5.945 -2.729) 10.435 4.792 ( -1.876 0.784 5.540) 5.902 5.040 ( -6.568 -3.661 -0.993) 7.584 5.886 ( -0.451 -0.175 0.416) 0.638 5.907 ( 0.496 -0.101 -0.165) 0.533 5.938 ( -0.145 -0.357 -1.228) 1.287 5.949 ( 0.567 -0.520 0.726) 1.058 6.159 ( 2.437 -0.034 0.379) 2.466 6.192 ( 4.082 -0.556 -0.216) 4.125 6.298 ( 8.010 -1.226 2.128) 8.378 6.555 ( 9.492 -10.499 -10.572) 17.666 6.659 ( 3.161 -1.682 -1.479) 3.875 6.676 ( 5.128 -2.191 -0.525) 5.601 7.197 ( 9.812 -1.889 1.559) 10.113 7.269 ( 9.836 -7.463 12.331) 17.450 7.703 ( 2.594 1.946 1.418) 3.539 7.771 ( 2.258 -3.197 -4.614) 6.051 7.876 ( 4.875 -1.184 1.096) 5.135 8.314 ( -6.400 1.318 5.262) 8.390 8.401 ( -0.854 -6.706 -4.750) 8.263 8.454 ( -6.404 -0.207 -2.641) 6.930 8.605 ( 0.521 3.461 0.356) 3.518 8.688 ( -1.038 2.410 -8.164) 8.576 8.870 ( -6.552 -0.773 5.885) 8.841 8.927 ( -2.839 -1.949 1.649) 3.818 9.090 ( -4.105 2.247 -1.015) 4.789 9.139 ( -2.684 1.329 2.871) 4.149 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( 9.073 4.016 3.307) 10.459 0.538 ( 10.618 3.845 0.459) 11.302 0.675 ( 4.183 2.464 -2.504) 5.463 0.869 ( 2.679 -1.164 1.942) 3.507 0.913 ( 0.003 0.998 -0.150) 1.009 0.956 ( 1.939 -0.333 -0.179) 1.976 0.984 ( 6.365 0.213 0.555) 6.393 1.002 ( 6.282 0.761 -0.510) 6.348 1.051 ( 1.193 -0.592 4.286) 4.488 1.133 ( -1.278 -0.723 -2.276) 2.709 1.190 ( 0.491 1.899 -4.339) 4.762 1.193 ( 1.246 1.133 -1.170) 2.050 1.255 ( -0.111 -0.765 0.481) 0.910 1.311 ( -4.011 1.978 -1.626) 4.759 1.323 ( -0.969 -1.732 1.590) 2.543 1.407 ( 2.307 -0.924 1.359) 2.833 1.483 ( 4.157 -0.216 -0.404) 4.182 1.506 ( 2.310 -0.368 -0.317) 2.360 1.549 ( 0.426 0.638 1.202) 1.426 1.637 ( 3.601 0.465 0.786) 3.715 1.688 ( -1.643 -0.963 -2.458) 3.110 1.724 ( -1.146 -0.801 0.333) 1.437 1.798 ( 0.173 0.122 2.426) 2.435 1.869 ( 2.003 -0.212 -1.977) 2.822 2.080 ( -2.956 0.005 -0.530) 3.004 2.120 ( -0.990 -0.389 1.099) 1.530 2.220 ( 2.507 -0.679 1.434) 2.967 2.271 ( 1.293 -0.539 -0.480) 1.480 2.320 ( 0.676 0.714 -0.854) 1.302 2.392 ( 0.507 -1.180 0.117) 1.289 2.526 ( -0.093 0.234 -2.055) 2.071 2.540 ( -3.622 1.209 1.757) 4.203 2.641 ( -0.198 0.554 -2.124) 2.204 2.682 ( 1.511 -0.210 1.273) 1.987 2.764 ( 0.938 -0.188 -0.005) 0.957 2.785 ( 0.881 -0.315 1.146) 1.480 2.881 ( -0.958 0.064 0.080) 0.963 2.914 ( -0.478 1.003 0.307) 1.153 3.067 ( -1.432 -0.496 -1.565) 2.178 3.080 ( 0.119 0.151 0.964) 0.983 3.147 ( 2.073 -0.154 0.697) 2.193 3.168 ( -0.849 -0.310 -0.974) 1.329 3.257 ( -1.463 0.073 -0.511) 1.551 3.309 ( 0.559 -0.449 1.149) 1.354 4.352 ( 1.871 1.467 -2.379) 3.364 4.651 ( -2.724 3.908 3.227) 5.754 4.790 ( 0.066 -1.300 -0.309) 1.337 4.917 ( -5.281 -2.524 -0.615) 5.885 5.884 ( 0.092 -0.056 0.421) 0.434 5.914 ( 0.088 -0.208 -0.262) 0.346 5.927 ( -0.594 -0.003 -0.556) 0.813 5.944 ( -0.763 -0.257 0.345) 0.876 6.234 ( 5.097 0.157 1.128) 5.223 6.283 ( 4.688 -0.347 -0.784) 4.765 6.421 ( 3.648 -1.067 2.717) 4.673 6.571 ( -1.374 -1.726 -4.977) 5.444 6.728 ( 3.265 -1.898 -1.963) 4.257 6.776 ( 3.630 -1.105 -1.303) 4.012 7.378 ( 9.444 -0.528 -4.427) 10.444 7.411 ( 3.150 -4.496 8.931) 10.483 7.703 ( -1.707 2.642 -0.485) 3.183 7.833 ( 2.905 -1.058 3.152) 4.415 7.988 ( 4.639 -4.214 -0.715) 6.308 8.196 ( -5.299 2.612 3.337) 6.785 8.318 ( -5.238 -5.014 -4.483) 8.525 8.370 ( -2.199 -8.161 -2.649) 8.857 8.581 ( -1.431 3.678 -2.418) 4.629 8.675 ( -0.756 5.742 2.030) 6.137 8.830 ( 0.539 -3.543 2.517) 4.379 8.859 ( -4.307 -0.424 -0.287) 4.338 9.002 ( -4.047 -0.106 -1.267) 4.242 9.066 ( -4.144 1.462 1.840) 4.764 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 8.099 2.407 1.796) 8.638 0.690 ( 3.622 1.748 0.130) 4.023 0.772 ( 4.040 1.187 -1.536) 4.482 0.828 ( -3.944 1.505 -0.709) 4.280 0.917 ( 1.607 -1.220 2.064) 2.886 0.974 ( -0.384 -0.362 1.624) 1.707 1.011 ( 0.310 1.199 -0.049) 1.239 1.030 ( -1.183 0.922 -0.188) 1.512 1.068 ( -3.506 0.614 -1.417) 3.831 1.139 ( 1.280 -0.682 -0.440) 1.516 1.183 ( -0.451 -0.467 -2.251) 2.343 1.239 ( 1.469 -0.638 -0.927) 1.850 1.275 ( 1.449 -0.356 0.668) 1.635 1.293 ( -1.334 -0.740 0.559) 1.624 1.318 ( 3.051 0.198 0.061) 3.058 1.429 ( 0.858 -2.535 1.529) 3.082 1.510 ( -2.058 2.058 -0.917) 3.052 1.564 ( 3.334 0.141 0.508) 3.376 1.576 ( 2.308 1.098 -0.143) 2.560 1.640 ( -0.843 1.120 0.759) 1.594 1.659 ( -1.435 -1.959 -0.875) 2.581 1.767 ( 2.535 0.226 -0.126) 2.548 1.809 ( 0.653 0.412 1.398) 1.598 1.918 ( 2.077 -0.891 -0.803) 2.399 2.019 ( -2.508 0.490 -0.812) 2.681 2.106 ( -0.430 -0.372 0.533) 0.779 2.276 ( 2.716 -0.308 0.329) 2.753 2.294 ( 0.744 -0.205 0.249) 0.811 2.334 ( 0.888 0.345 -1.376) 1.674 2.376 ( -2.141 -1.894 0.722) 2.948 2.477 ( -2.118 2.325 1.103) 3.333 2.527 ( 0.203 -0.051 -1.254) 1.271 2.641 ( 0.270 0.410 -0.884) 1.011 2.706 ( 0.703 -0.246 0.695) 1.019 2.778 ( 0.354 -0.138 -0.073) 0.387 2.791 ( -0.155 0.095 0.461) 0.495 2.864 ( -0.386 0.406 0.767) 0.950 2.928 ( 1.259 0.582 -0.860) 1.632 3.031 ( -1.119 -0.328 -0.958) 1.509 3.070 ( -1.672 -0.135 1.981) 2.595 3.162 ( 0.682 0.533 -1.880) 2.070 3.179 ( 0.937 -0.180 0.342) 1.014 3.235 ( -0.796 -0.540 0.437) 1.056 3.314 ( 0.006 -0.496 0.314) 0.587 4.378 ( 0.818 1.478 -1.046) 1.987 4.631 ( -0.190 2.383 1.556) 2.852 4.789 ( -0.123 -2.018 -0.306) 2.045 4.846 ( -1.830 -1.727 -0.229) 2.526 5.889 ( 0.239 -0.093 0.205) 0.328 5.909 ( -0.318 -0.312 -0.269) 0.520 5.921 ( -0.042 0.242 0.004) 0.246 5.929 ( -0.556 -0.000 0.043) 0.558 6.343 ( 4.209 -0.404 1.747) 4.575 6.357 ( 3.663 0.276 0.084) 3.674 6.443 ( -1.777 -2.039 -1.030) 2.894 6.537 ( -1.075 0.918 -2.090) 2.523 6.753 ( 0.120 -0.433 -1.325) 1.399 6.830 ( 1.531 -0.387 1.493) 2.173 7.447 ( 0.586 -1.104 2.598) 2.883 7.502 ( 2.393 -2.007 -1.729) 3.570 7.675 ( 0.001 2.927 -1.349) 3.223 7.902 ( 3.862 -1.264 2.969) 5.033 8.001 ( -2.861 0.446 -1.570) 3.294 8.146 ( -0.173 4.169 2.242) 4.737 8.265 ( -0.620 -9.507 -1.365) 9.625 8.319 ( -2.122 -7.728 -1.718) 8.196 8.566 ( -0.161 2.744 -0.478) 2.790 8.658 ( -0.841 6.059 1.734) 6.358 8.787 ( -2.120 0.755 -0.968) 2.450 8.849 ( 0.683 -3.969 0.333) 4.041 8.948 ( -1.307 -1.449 -0.282) 1.972 9.005 ( -1.897 -0.007 0.603) 1.990 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 0.000 8.811 0.000) 8.811 0.450 ( 0.000 10.886 0.000) 10.886 0.497 ( 0.000 9.750 0.000) 9.750 0.716 ( 0.000 7.163 0.000) 7.163 0.797 ( 0.000 -2.045 0.000) 2.045 0.844 ( 0.000 -0.501 0.000) 0.501 0.911 ( 0.000 0.120 0.000) 0.120 0.963 ( 0.000 2.199 0.000) 2.199 1.061 ( 0.000 -1.990 0.000) 1.990 1.096 ( 0.000 -1.016 0.000) 1.016 1.152 ( 0.000 -3.037 0.000) 3.037 1.173 ( 0.000 -1.717 0.000) 1.717 1.250 ( 0.000 -3.168 0.000) 3.168 1.280 ( 0.000 -1.709 0.000) 1.709 1.332 ( 0.000 2.399 0.000) 2.399 1.406 ( 0.000 1.957 0.000) 1.957 1.443 ( 0.000 2.175 0.000) 2.175 1.460 ( 0.000 0.454 0.000) 0.454 1.549 ( 0.000 -0.460 0.000) 0.460 1.568 ( 0.000 -2.166 0.000) 2.166 1.716 ( 0.000 0.400 0.000) 0.400 1.758 ( 0.000 -0.865 0.000) 0.865 1.817 ( 0.000 0.583 0.000) 0.583 1.884 ( 0.000 -0.553 0.000) 0.553 2.094 ( 0.000 -2.354 0.000) 2.354 2.098 ( 0.000 -1.932 0.000) 1.932 2.173 ( 0.000 1.054 0.000) 1.054 2.242 ( 0.000 -0.439 0.000) 0.439 2.315 ( 0.000 0.618 0.000) 0.618 2.357 ( 0.000 -0.328 0.000) 0.328 2.534 ( 0.000 0.237 0.000) 0.237 2.571 ( 0.000 -0.690 0.000) 0.690 2.686 ( 0.000 1.191 0.000) 1.191 2.702 ( 0.000 0.973 0.000) 0.973 2.710 ( 0.000 -1.233 0.000) 1.233 2.753 ( 0.000 -0.029 0.000) 0.029 2.919 ( 0.000 0.834 0.000) 0.834 2.965 ( 0.000 -0.774 0.000) 0.774 3.061 ( 0.000 0.818 0.000) 0.818 3.066 ( 0.000 1.539 0.000) 1.539 3.118 ( 0.000 -1.151 0.000) 1.151 3.157 ( 0.000 -0.661 0.000) 0.661 3.268 ( 0.000 0.828 0.000) 0.828 3.304 ( 0.000 -0.175 0.000) 0.175 4.351 ( 0.000 3.458 0.000) 3.458 4.731 ( 0.000 -4.812 0.000) 4.812 5.016 ( 0.000 -0.095 0.000) 0.095 5.031 ( 0.000 -2.914 0.000) 2.914 5.894 ( 0.000 -0.227 0.000) 0.227 5.898 ( 0.000 -0.186 0.000) 0.186 5.904 ( 0.000 -0.245 0.000) 0.245 5.912 ( 0.000 -0.346 0.000) 0.346 6.126 ( 0.000 -0.086 0.000) 0.086 6.130 ( 0.000 -0.121 0.000) 0.121 6.156 ( 0.000 -0.214 0.000) 0.214 6.184 ( 0.000 -0.919 0.000) 0.919 6.639 ( 0.000 -0.176 0.000) 0.176 6.642 ( 0.000 -0.065 0.000) 0.065 7.081 ( 0.000 1.991 0.000) 1.991 7.165 ( 0.000 -0.491 0.000) 0.491 7.698 ( 0.000 2.963 0.000) 2.963 7.803 ( 0.000 2.117 0.000) 2.117 7.842 ( 0.000 0.533 0.000) 0.533 8.183 ( 0.000 -10.439 0.000) 10.439 8.525 ( 0.000 2.486 0.000) 2.486 8.562 ( 0.000 5.344 0.000) 5.344 8.572 ( 0.000 -0.478 0.000) 0.478 8.711 ( 0.000 0.480 0.000) 0.480 8.832 ( 0.000 -4.660 0.000) 4.660 8.984 ( 0.000 -4.011 0.000) 4.011 9.154 ( 0.000 1.087 0.000) 1.087 9.170 ( 0.000 0.838 0.000) 0.838 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 2.938 8.624 3.897) 9.909 0.511 ( 5.510 8.868 -2.406) 10.714 0.658 ( 11.840 4.965 0.199) 12.841 0.736 ( 3.800 5.503 -1.335) 6.819 0.838 ( 2.444 -0.551 3.713) 4.479 0.895 ( 4.661 -0.636 -2.117) 5.158 0.931 ( 3.263 0.219 -1.299) 3.519 0.978 ( 0.995 1.735 0.070) 2.001 1.020 ( -1.578 -1.702 0.248) 2.334 1.125 ( -0.906 -1.111 0.235) 1.453 1.155 ( 2.811 -2.548 -1.582) 4.111 1.219 ( 1.116 -1.490 0.424) 1.909 1.258 ( 2.409 -0.253 1.015) 2.626 1.284 ( -1.330 0.768 0.652) 1.669 1.357 ( 3.579 0.274 -2.145) 4.182 1.415 ( 0.359 0.894 -2.721) 2.887 1.422 ( -1.592 0.726 0.390) 1.793 1.448 ( -0.130 -0.706 1.614) 1.766 1.545 ( 0.602 0.284 1.874) 1.989 1.578 ( 0.510 -0.605 -0.183) 0.813 1.708 ( -0.174 -0.242 -2.290) 2.309 1.748 ( -2.215 -1.017 -0.127) 2.440 1.802 ( -0.580 0.658 1.949) 2.137 1.862 ( -1.329 -0.375 -0.913) 1.655 2.098 ( 0.031 -1.414 -0.121) 1.419 2.106 ( 0.467 -1.681 0.656) 1.864 2.181 ( 0.695 0.585 1.632) 1.868 2.240 ( 0.053 -0.755 -0.542) 0.931 2.321 ( 0.507 0.565 -0.095) 0.765 2.363 ( 0.498 -0.529 -0.265) 0.773 2.535 ( 0.174 0.439 -0.481) 0.674 2.581 ( 0.469 -0.491 0.715) 0.986 2.669 ( -1.396 0.748 -0.787) 1.769 2.677 ( -0.968 0.656 -0.321) 1.213 2.731 ( 1.375 -0.513 0.167) 1.477 2.764 ( 0.640 -0.066 1.194) 1.356 2.906 ( -0.829 0.940 -0.826) 1.500 2.950 ( -1.246 -0.169 0.060) 1.259 3.066 ( 0.344 0.457 1.037) 1.184 3.088 ( 0.949 0.809 -1.160) 1.703 3.115 ( 0.255 -0.620 -0.785) 1.032 3.164 ( 0.441 -0.519 0.550) 0.875 3.279 ( 0.396 0.028 0.616) 0.733 3.292 ( -0.827 -0.137 0.125) 0.848 4.366 ( 1.517 3.420 -1.137) 3.910 4.729 ( -0.218 -4.717 -0.769) 4.784 4.879 ( -9.340 3.543 1.966) 10.181 4.969 ( -5.250 -2.353 -0.553) 5.780 5.883 ( -0.176 -0.035 0.270) 0.324 5.902 ( 0.354 -0.384 -0.334) 0.620 5.930 ( 0.444 -0.336 -0.639) 0.847 5.937 ( 0.790 -0.556 0.521) 1.098 6.160 ( 2.871 0.119 0.165) 2.878 6.179 ( 4.124 -0.560 -0.191) 4.166 6.272 ( 7.886 -1.061 1.245) 8.054 6.361 ( 15.003 -6.375 -2.903) 16.558 6.643 ( 1.223 -0.262 -0.149) 1.260 6.657 ( 1.985 -0.522 -0.276) 2.071 7.166 ( 7.872 -0.060 4.544) 9.090 7.223 ( 5.706 -0.698 -0.908) 5.820 7.727 ( 2.852 1.367 -1.652) 3.569 7.773 ( -1.352 1.729 -1.669) 2.757 7.889 ( 3.212 1.119 2.948) 4.501 8.186 ( 0.219 -9.627 2.010) 9.837 8.402 ( -8.691 2.872 -2.920) 9.608 8.454 ( -7.719 0.172 -3.056) 8.304 8.674 ( 1.340 3.267 1.793) 3.960 8.692 ( 1.035 -0.799 -3.281) 3.532 8.818 ( -1.841 -2.983 3.413) 4.893 8.922 ( -4.196 -0.077 2.488) 4.879 9.115 ( -4.795 0.196 -2.601) 5.458 9.140 ( -2.698 -0.375 1.650) 3.184 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 6.007 5.974 2.828) 8.931 0.638 ( 7.158 5.383 -0.579) 8.975 0.746 ( 2.718 4.078 -1.555) 5.141 0.846 ( 2.900 -1.049 1.468) 3.416 0.924 ( -1.134 -0.642 -0.485) 1.391 0.959 ( 2.376 1.256 -2.232) 3.494 0.982 ( 4.610 -0.778 -0.313) 4.686 1.028 ( 4.658 1.644 0.471) 4.962 1.043 ( 2.138 0.074 1.059) 2.387 1.126 ( 0.476 0.011 -0.151) 0.499 1.192 ( -1.707 -0.994 -0.047) 1.976 1.216 ( 3.123 -0.863 -0.942) 3.375 1.251 ( 0.406 0.792 0.207) 0.914 1.300 ( -0.472 0.287 0.119) 0.565 1.345 ( -4.406 0.906 -1.152) 4.643 1.378 ( -1.136 -1.671 1.400) 2.458 1.472 ( 3.900 0.008 -2.502) 4.633 1.512 ( 5.814 0.589 1.425) 6.015 1.570 ( 1.362 0.962 1.231) 2.073 1.635 ( 4.826 -0.748 0.831) 4.954 1.666 ( -3.645 -0.818 -1.836) 4.162 1.706 ( -0.993 -0.794 -1.140) 1.707 1.808 ( 0.826 0.817 1.850) 2.185 1.863 ( 1.487 -0.388 -0.452) 1.601 2.079 ( -1.995 -0.094 -0.475) 2.053 2.107 ( -0.481 -0.796 0.816) 1.237 2.209 ( 2.257 -0.233 1.419) 2.676 2.254 ( 1.418 -1.046 0.172) 1.771 2.332 ( 0.607 0.427 -0.636) 0.978 2.369 ( -0.115 -0.921 -0.367) 0.998 2.536 ( -0.133 0.735 -1.393) 1.580 2.564 ( -2.271 0.889 0.986) 2.630 2.653 ( -0.322 0.528 -1.217) 1.365 2.675 ( 0.927 -0.362 1.084) 1.471 2.758 ( 1.213 -0.294 -0.037) 1.249 2.777 ( 0.611 -0.352 0.797) 1.064 2.893 ( -0.408 1.020 -0.784) 1.349 2.930 ( -0.521 0.426 0.213) 0.705 3.060 ( -1.750 -0.070 -2.061) 2.704 3.082 ( 0.118 -0.061 1.530) 1.536 3.148 ( 2.067 0.211 0.296) 2.098 3.163 ( -0.467 -0.128 -0.029) 0.485 3.258 ( -1.527 0.056 -0.395) 1.578 3.296 ( 0.246 -0.818 0.899) 1.240 4.399 ( 1.758 3.194 -1.395) 3.904 4.714 ( -1.606 -2.193 1.670) 3.190 4.750 ( -3.506 1.266 -0.375) 3.747 4.869 ( -4.278 -1.614 -0.114) 4.574 5.884 ( 0.139 0.086 0.292) 0.335 5.906 ( -0.023 -0.502 -0.421) 0.655 5.928 ( -0.255 0.055 -0.167) 0.310 5.938 ( -0.441 -0.327 0.236) 0.597 6.239 ( 4.955 0.312 0.582) 4.999 6.273 ( 4.963 -0.628 -0.771) 5.062 6.404 ( 4.090 -0.313 1.858) 4.503 6.518 ( 2.566 -3.208 -2.823) 4.984 6.700 ( 3.729 -0.810 -1.484) 4.095 6.739 ( 5.302 -1.961 0.160) 5.656 7.331 ( 6.611 -2.568 6.047) 9.321 7.360 ( 7.586 -1.319 -3.028) 8.274 7.749 ( -0.701 1.397 -1.425) 2.115 7.799 ( 3.590 -0.997 0.391) 3.746 7.963 ( 4.160 0.725 1.979) 4.664 8.192 ( -0.591 -7.758 -1.252) 7.880 8.241 ( -6.499 1.666 2.140) 7.042 8.271 ( -8.602 -1.038 -4.577) 9.800 8.633 ( -2.028 1.587 -1.942) 3.225 8.754 ( 2.180 -1.557 1.543) 3.092 8.779 ( -2.061 2.127 4.077) 5.039 8.858 ( -2.801 0.578 0.904) 3.000 8.996 ( -6.181 -0.346 -3.131) 6.937 9.064 ( -4.698 -1.407 0.865) 4.980 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 6.619 3.310 1.900) 7.641 0.735 ( 2.452 2.396 -0.008) 3.429 0.808 ( -0.121 1.972 -1.368) 2.403 0.862 ( -0.745 1.375 0.269) 1.587 0.899 ( 1.953 -0.086 0.154) 1.961 0.970 ( -0.565 0.178 -1.087) 1.238 1.039 ( 0.940 1.329 1.105) 1.967 1.057 ( 0.763 0.586 0.043) 0.963 1.066 ( -1.018 0.218 -1.933) 2.196 1.134 ( -0.843 0.204 0.739) 1.140 1.173 ( 0.976 -0.330 0.723) 1.259 1.233 ( 0.343 -0.152 -1.777) 1.816 1.262 ( -2.191 -0.964 0.242) 2.406 1.271 ( -2.055 -1.399 0.534) 2.543 1.325 ( 1.974 0.640 -0.391) 2.112 1.371 ( 0.719 -2.652 0.773) 2.854 1.549 ( 3.565 0.230 -1.325) 3.810 1.572 ( -0.727 2.267 0.969) 2.571 1.606 ( 0.523 -1.149 0.054) 1.263 1.620 ( 0.415 1.092 -0.690) 1.357 1.663 ( 0.332 0.593 0.769) 1.026 1.756 ( 3.184 -1.319 -0.403) 3.469 1.826 ( 0.574 1.112 1.235) 1.758 1.898 ( 1.408 -0.990 -0.299) 1.747 2.033 ( -1.966 0.879 -0.594) 2.233 2.096 ( -0.499 -0.632 0.385) 0.893 2.266 ( 2.938 -0.478 0.484) 3.016 2.285 ( 1.248 -0.716 0.642) 1.575 2.337 ( -0.215 -0.004 -0.675) 0.708 2.351 ( -1.428 -0.620 -0.234) 1.575 2.517 ( -1.670 1.536 0.475) 2.319 2.531 ( -0.331 0.462 -0.957) 1.113 2.653 ( 0.253 0.650 -0.361) 0.785 2.698 ( 0.809 -0.607 0.566) 1.159 2.773 ( 0.321 -0.272 -0.049) 0.424 2.786 ( 0.170 -0.529 0.337) 0.650 2.886 ( -0.263 1.527 0.261) 1.571 2.938 ( 1.066 0.268 -0.767) 1.340 3.027 ( -0.999 0.028 -1.093) 1.481 3.062 ( -1.868 -0.645 1.498) 2.480 3.171 ( 1.104 0.250 -0.607) 1.284 3.183 ( 1.618 0.524 -0.001) 1.701 3.225 ( -1.844 -0.190 0.314) 1.880 3.297 ( -0.085 -1.161 0.237) 1.188 4.423 ( 0.658 2.883 -0.621) 3.021 4.688 ( -0.636 2.447 2.120) 3.299 4.716 ( -0.826 -4.347 -1.504) 4.674 4.814 ( -1.343 -1.284 -0.026) 1.858 5.888 ( 0.186 0.065 0.156) 0.252 5.902 ( -0.238 -0.348 -0.196) 0.465 5.925 ( 0.003 0.138 0.004) 0.138 5.929 ( -0.332 -0.054 0.021) 0.337 6.333 ( 3.620 -0.531 1.353) 3.901 6.350 ( 2.704 -0.921 -1.266) 3.124 6.432 ( -0.671 1.068 0.071) 1.263 6.540 ( 0.570 -0.596 -0.608) 1.025 6.747 ( 1.033 -0.012 -0.951) 1.404 6.811 ( 1.834 -1.396 0.746) 2.422 7.418 ( 2.135 -1.539 2.367) 3.539 7.452 ( 1.638 -2.598 -1.805) 3.563 7.739 ( 0.053 2.867 -0.591) 2.928 7.857 ( 1.862 -2.487 1.520) 3.459 8.037 ( 2.480 0.599 -0.120) 2.554 8.101 ( -3.968 -3.904 -2.984) 6.316 8.169 ( -1.615 -4.753 -1.623) 5.276 8.222 ( 0.242 1.010 3.559) 3.708 8.607 ( -0.550 1.759 -0.435) 1.893 8.731 ( -1.784 -1.063 -0.047) 2.077 8.790 ( 0.730 1.099 4.417) 4.610 8.817 ( -1.548 1.317 -2.685) 3.367 8.911 ( -1.605 -1.697 -1.075) 2.571 8.985 ( -2.825 -1.857 0.127) 3.383 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 6.306 0.000) 6.306 0.639 ( 0.000 2.507 0.000) 2.507 0.658 ( 0.000 8.559 0.000) 8.559 0.746 ( 0.000 -2.006 0.000) 2.006 0.826 ( 0.000 -0.943 0.000) 0.943 0.859 ( 0.000 1.002 0.000) 1.002 0.885 ( 0.000 2.136 0.000) 2.136 0.997 ( 0.000 -0.054 0.000) 0.054 1.018 ( 0.000 -0.999 0.000) 0.999 1.020 ( 0.000 -4.533 0.000) 4.533 1.129 ( 0.000 0.463 0.000) 0.463 1.160 ( 0.000 -1.674 0.000) 1.674 1.204 ( 0.000 0.369 0.000) 0.369 1.239 ( 0.000 -2.104 0.000) 2.104 1.389 ( 0.000 2.814 0.000) 2.814 1.431 ( 0.000 -0.533 0.000) 0.533 1.468 ( 0.000 0.651 0.000) 0.651 1.474 ( 0.000 0.633 0.000) 0.633 1.533 ( 0.000 -0.858 0.000) 0.858 1.534 ( 0.000 -0.723 0.000) 0.723 1.725 ( 0.000 0.462 0.000) 0.462 1.739 ( 0.000 -0.892 0.000) 0.892 1.838 ( 0.000 1.491 0.000) 1.491 1.869 ( 0.000 -1.159 0.000) 1.159 2.059 ( 0.000 -0.772 0.000) 0.772 2.064 ( 0.000 -1.158 0.000) 1.158 2.199 ( 0.000 1.389 0.000) 1.389 2.226 ( 0.000 -1.109 0.000) 1.109 2.332 ( 0.000 0.883 0.000) 0.883 2.348 ( 0.000 -0.613 0.000) 0.613 2.541 ( 0.000 0.519 0.000) 0.519 2.555 ( 0.000 -0.762 0.000) 0.762 2.695 ( 0.000 -0.175 0.000) 0.175 2.698 ( 0.000 -0.118 0.000) 0.118 2.724 ( 0.000 1.256 0.000) 1.256 2.746 ( 0.000 -0.735 0.000) 0.735 2.935 ( 0.000 0.735 0.000) 0.735 2.950 ( 0.000 -0.721 0.000) 0.721 3.076 ( 0.000 0.823 0.000) 0.823 3.095 ( 0.000 -1.036 0.000) 1.036 3.103 ( 0.000 1.759 0.000) 1.759 3.136 ( 0.000 -1.347 0.000) 1.347 3.285 ( 0.000 0.747 0.000) 0.747 3.298 ( 0.000 -0.444 0.000) 0.444 4.451 ( 0.000 6.165 0.000) 6.165 4.596 ( 0.000 -7.454 0.000) 7.454 5.006 ( 0.000 -0.025 0.000) 0.025 5.011 ( 0.000 -0.318 0.000) 0.318 5.893 ( 0.000 0.039 0.000) 0.039 5.895 ( 0.000 -0.135 0.000) 0.135 5.901 ( 0.000 0.022 0.000) 0.022 5.905 ( 0.000 -0.328 0.000) 0.328 6.131 ( 0.000 0.323 0.000) 0.323 6.131 ( 0.000 0.155 0.000) 0.155 6.152 ( 0.000 -0.020 0.000) 0.020 6.163 ( 0.000 -0.986 0.000) 0.986 6.638 ( 0.000 0.051 0.000) 0.051 6.640 ( 0.000 -0.114 0.000) 0.114 7.119 ( 0.000 1.678 0.000) 1.678 7.148 ( 0.000 -1.109 0.000) 1.109 7.777 ( 0.000 4.262 0.000) 4.262 7.837 ( 0.000 -1.286 0.000) 1.286 7.857 ( 0.000 3.559 0.000) 3.559 7.981 ( 0.000 -8.487 0.000) 8.487 8.548 ( 0.000 0.701 0.000) 0.701 8.560 ( 0.000 -0.573 0.000) 0.573 8.681 ( 0.000 4.122 0.000) 4.122 8.749 ( 0.000 -3.425 0.000) 3.425 8.756 ( 0.000 4.808 0.000) 4.808 8.879 ( 0.000 -5.994 0.000) 5.994 9.171 ( 0.000 0.560 0.000) 0.560 9.177 ( 0.000 -0.014 0.000) 0.014 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 1.964 6.244 2.861) 7.144 0.669 ( 2.645 4.176 0.584) 4.977 0.739 ( 6.918 2.902 -2.888) 8.039 0.793 ( 2.312 0.542 1.958) 3.077 0.851 ( 3.718 -0.151 -3.481) 5.095 0.881 ( 2.646 -2.043 -1.944) 3.867 0.921 ( 4.521 2.013 0.358) 4.962 0.979 ( -0.186 -1.613 -1.692) 2.345 1.019 ( 1.624 1.708 2.024) 3.107 1.073 ( 2.596 -3.491 2.533) 5.034 1.134 ( 1.066 0.599 -0.594) 1.360 1.168 ( 0.063 -2.518 0.389) 2.548 1.272 ( 5.301 1.136 0.120) 5.423 1.291 ( 2.397 -0.514 0.551) 2.513 1.378 ( 0.885 1.764 -0.638) 2.074 1.417 ( -1.769 -1.734 1.090) 2.706 1.433 ( -1.812 0.648 -2.530) 3.179 1.437 ( -1.511 0.266 -0.445) 1.597 1.554 ( 1.649 0.468 1.249) 2.121 1.565 ( 1.485 -0.625 0.191) 1.622 1.708 ( -1.058 0.368 -1.201) 1.643 1.725 ( -2.010 -1.094 -0.508) 2.344 1.824 ( -0.719 1.351 0.639) 1.658 1.850 ( -1.059 -0.941 -0.240) 1.437 2.074 ( 1.125 -0.579 0.219) 1.284 2.078 ( 0.987 -0.895 0.391) 1.389 2.199 ( 0.003 1.050 0.888) 1.375 2.221 ( -0.256 -1.050 0.144) 1.090 2.335 ( 0.293 0.787 -0.141) 0.852 2.351 ( 0.238 -0.688 -0.238) 0.766 2.548 ( 0.569 0.772 0.051) 0.961 2.566 ( 0.812 -0.893 0.445) 1.286 2.679 ( -1.292 0.286 -0.468) 1.404 2.684 ( -1.086 -0.056 -0.027) 1.088 2.736 ( 1.084 0.871 0.069) 1.392 2.755 ( 0.690 -0.768 0.592) 1.190 2.925 ( -0.705 0.855 -1.149) 1.597 2.941 ( -0.696 -0.635 -0.926) 1.321 3.077 ( 0.051 0.656 0.439) 0.791 3.091 ( -0.545 -0.571 -0.569) 0.973 3.121 ( 1.541 1.214 0.496) 2.024 3.147 ( 0.824 -1.100 0.736) 1.559 3.282 ( -0.428 0.255 0.225) 0.547 3.288 ( -0.836 -0.260 0.082) 0.879 4.462 ( 1.082 5.852 -0.479) 5.970 4.599 ( 0.309 -7.064 -0.277) 7.076 4.927 ( -6.829 1.338 0.576) 6.983 4.944 ( -5.290 -0.579 -0.046) 5.321 5.886 ( 0.011 0.247 0.018) 0.248 5.893 ( 0.168 -0.449 -0.277) 0.554 5.926 ( 0.750 -0.071 -0.075) 0.757 5.928 ( 0.849 -0.278 0.267) 0.933 6.165 ( 3.271 0.303 -0.080) 3.286 6.171 ( 3.752 -0.303 -0.148) 3.767 6.259 ( 8.708 -0.049 0.611) 8.729 6.279 ( 10.932 -2.134 -0.293) 11.142 6.643 ( 0.992 0.155 -0.302) 1.049 6.648 ( 1.264 -0.367 -0.397) 1.375 7.181 ( 5.712 1.160 1.562) 6.034 7.205 ( 5.445 -1.105 -0.290) 5.563 7.773 ( -0.292 2.659 -2.101) 3.401 7.800 ( -1.309 0.396 -1.578) 2.088 7.916 ( 3.604 1.914 2.978) 5.052 8.005 ( 2.230 -7.093 1.990) 7.697 8.448 ( -9.166 1.360 -3.062) 9.759 8.459 ( -8.462 0.102 -3.393) 9.118 8.682 ( -0.678 0.299 -1.702) 1.857 8.704 ( -1.191 -1.078 -0.621) 1.722 8.812 ( 2.215 3.147 6.098) 7.211 8.889 ( -0.053 -3.191 4.546) 5.554 9.118 ( -5.014 0.481 -2.510) 5.628 9.131 ( -4.454 -0.630 -1.091) 4.629 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 3.346 5.001 2.460) 6.500 0.724 ( 2.798 1.160 1.148) 3.240 0.818 ( 2.607 2.354 -1.864) 3.976 0.841 ( 2.379 1.185 -0.227) 2.668 0.903 ( 1.917 -1.087 -2.583) 3.396 0.927 ( 1.215 -2.782 -2.510) 3.939 1.012 ( 3.860 2.096 -0.733) 4.453 1.041 ( 3.475 -0.586 -0.797) 3.613 1.069 ( 2.093 2.240 2.277) 3.819 1.119 ( 1.429 -1.829 2.283) 3.255 1.163 ( 0.559 -0.187 0.707) 0.920 1.185 ( 3.248 -1.538 -0.646) 3.652 1.278 ( -1.098 1.631 0.797) 2.122 1.310 ( -0.157 -0.771 0.342) 0.858 1.346 ( -4.478 0.245 0.260) 4.492 1.358 ( -3.114 -0.477 -1.124) 3.345 1.490 ( 4.821 1.377 -1.739) 5.307 1.514 ( 6.558 -0.645 -0.025) 6.590 1.584 ( 1.662 0.741 1.023) 2.088 1.609 ( 3.905 -1.512 0.795) 4.262 1.668 ( -2.418 0.860 -1.184) 2.826 1.689 ( -1.051 -0.975 -1.478) 2.059 1.830 ( 1.096 1.165 0.963) 1.867 1.851 ( 1.073 -0.817 0.484) 1.433 2.079 ( -0.794 0.211 -0.107) 0.828 2.090 ( -0.147 -0.785 0.434) 0.909 2.213 ( 1.711 0.603 1.193) 2.171 2.231 ( 1.451 -1.093 0.711) 1.951 2.341 ( 0.247 0.489 -0.540) 0.769 2.353 ( -0.098 -0.673 -0.556) 0.878 2.555 ( -0.183 0.960 -0.635) 1.165 2.570 ( -0.890 -0.363 0.135) 0.970 2.661 ( -0.222 0.367 -0.141) 0.451 2.669 ( -0.029 -0.312 0.673) 0.742 2.758 ( 0.982 0.336 -0.007) 1.038 2.769 ( 0.548 -0.525 0.296) 0.814 2.915 ( -0.083 0.957 -1.257) 1.582 2.930 ( -0.167 -0.400 -0.829) 0.936 3.064 ( -1.612 0.453 -0.729) 1.826 3.075 ( -1.001 -0.533 0.626) 1.296 3.155 ( 1.677 0.435 0.640) 1.846 3.161 ( 0.676 -0.140 0.707) 0.988 3.263 ( -1.257 0.459 -0.172) 1.349 3.277 ( -0.493 -0.898 0.394) 1.098 4.485 ( 1.073 5.067 -0.532) 5.206 4.603 ( 0.059 -6.178 -0.025) 6.178 4.807 ( -4.827 2.410 0.320) 5.405 4.844 ( -4.354 -1.245 0.103) 4.529 5.888 ( 0.163 0.285 0.039) 0.330 5.896 ( 0.083 -0.452 -0.256) 0.526 5.929 ( -0.134 0.080 0.030) 0.158 5.932 ( -0.202 -0.230 0.151) 0.341 6.247 ( 4.771 0.521 -0.125) 4.801 6.259 ( 4.832 -0.646 -0.591) 4.910 6.413 ( 5.353 1.181 1.206) 5.613 6.453 ( 5.514 -2.719 -0.058) 6.148 6.693 ( 3.991 0.188 -1.003) 4.119 6.707 ( 4.607 -1.101 -0.405) 4.754 7.309 ( 6.143 0.189 2.270) 6.552 7.329 ( 6.209 -1.506 -0.785) 6.437 7.770 ( 0.485 1.203 -0.798) 1.522 7.792 ( 0.554 -0.516 -0.481) 0.897 7.988 ( 3.204 1.842 1.326) 3.927 8.055 ( 1.910 -4.997 -0.441) 5.368 8.264 ( -8.712 0.647 -0.804) 8.773 8.269 ( -7.931 0.202 -1.470) 8.069 8.658 ( -1.006 1.309 -0.954) 1.907 8.698 ( -0.223 -2.584 0.345) 2.616 8.838 ( -0.102 2.627 5.230) 5.854 8.871 ( -1.991 -0.177 2.565) 3.252 8.995 ( -6.525 0.573 -3.205) 7.292 9.025 ( -5.585 -2.017 -1.740) 6.187 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( 3.753 2.469 1.646) 4.784 0.770 ( 1.682 0.472 0.853) 1.944 0.842 ( -1.487 1.358 -1.119) 2.304 0.865 ( 0.426 -0.788 -0.099) 0.902 0.926 ( 1.883 2.047 -1.658) 3.237 0.964 ( 1.423 -1.299 -1.376) 2.368 1.059 ( -0.507 1.349 -0.855) 1.675 1.074 ( 1.891 0.496 -1.908) 2.732 1.082 ( 1.418 1.329 1.812) 2.657 1.123 ( -0.964 -1.537 2.069) 2.751 1.182 ( 1.333 1.134 0.468) 1.812 1.213 ( 0.403 -1.652 0.125) 1.705 1.246 ( -4.669 -0.414 0.701) 4.739 1.249 ( -2.379 -0.592 -0.206) 2.460 1.334 ( 1.081 0.119 -0.310) 1.131 1.337 ( 0.669 -0.520 -0.429) 0.950 1.551 ( 2.085 0.407 -0.640) 2.219 1.570 ( 0.363 -1.435 -0.434) 1.543 1.621 ( 0.122 1.991 0.706) 2.116 1.646 ( -0.791 -0.067 -0.198) 0.818 1.678 ( 3.255 1.533 0.186) 3.603 1.719 ( 3.108 -2.060 -0.560) 3.771 1.851 ( 0.684 1.297 0.719) 1.633 1.877 ( 0.986 -1.119 0.229) 1.509 2.055 ( -1.104 1.204 -0.194) 1.645 2.079 ( -0.583 -1.030 0.148) 1.193 2.261 ( 2.388 0.038 0.720) 2.495 2.269 ( 1.710 -0.671 0.742) 1.981 2.338 ( -0.634 0.120 -0.455) 0.789 2.342 ( -0.714 -0.308 -0.610) 0.988 2.539 ( -1.024 0.558 -0.352) 1.218 2.541 ( -1.143 0.331 -0.284) 1.224 2.667 ( 0.467 0.715 0.118) 0.862 2.683 ( 0.758 -0.796 0.390) 1.167 2.770 ( 0.254 0.043 -0.009) 0.257 2.775 ( 0.135 -0.426 0.089) 0.455 2.917 ( 0.189 1.300 -0.308) 1.349 2.936 ( 0.672 -0.505 -0.716) 1.104 3.032 ( -1.114 0.473 -0.551) 1.330 3.046 ( -1.553 -0.808 0.775) 1.915 3.178 ( 0.821 0.466 0.166) 0.959 3.186 ( 1.399 -0.229 0.386) 1.470 3.236 ( -1.326 1.210 -0.074) 1.796 3.267 ( -0.427 -1.615 0.071) 1.672 4.498 ( 0.306 4.401 -0.227) 4.418 4.602 ( -0.136 -5.503 0.092) 5.506 4.748 ( -1.411 2.360 0.075) 2.750 4.787 ( -1.425 -1.499 0.038) 2.069 5.891 ( 0.105 0.191 0.050) 0.223 5.895 ( -0.055 -0.257 -0.084) 0.276 5.927 ( -0.029 0.029 0.011) 0.043 5.928 ( -0.142 -0.053 0.021) 0.153 6.326 ( 2.660 -0.030 0.226) 2.670 6.332 ( 2.128 -0.639 -0.825) 2.370 6.470 ( 1.103 2.238 0.558) 2.556 6.514 ( 1.407 -1.867 0.323) 2.360 6.755 ( 1.657 0.771 -0.644) 1.937 6.779 ( 1.997 -1.511 -0.074) 2.505 7.394 ( 2.276 -0.492 1.100) 2.575 7.406 ( 1.574 -1.589 -0.704) 2.344 7.786 ( 0.712 1.706 0.536) 1.924 7.815 ( 1.175 -1.478 0.693) 2.011 8.009 ( -1.001 -0.519 -1.653) 2.001 8.038 ( -2.009 -3.192 -3.342) 5.039 8.168 ( -0.753 2.885 1.322) 3.262 8.218 ( 0.773 -1.546 2.539) 3.072 8.643 ( -0.483 1.708 -0.260) 1.794 8.682 ( -1.227 -2.234 -0.236) 2.559 8.830 ( -0.582 1.319 3.095) 3.414 8.837 ( -1.109 0.471 -0.290) 1.239 8.897 ( -2.351 0.792 -1.704) 3.010 8.937 ( -2.833 -2.500 -0.674) 3.838 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.224 ( 3.407 0.000 11.507) 12.001 0.261 ( -1.153 0.000 13.711) 13.759 0.346 ( 1.799 0.000 17.264) 17.357 0.547 ( -1.436 0.000 -0.567) 1.544 0.707 ( 0.580 0.000 -9.137) 9.155 0.860 ( 0.920 0.000 1.318) 1.608 0.896 ( -0.366 0.000 -0.174) 0.405 0.937 ( 0.281 0.000 2.427) 2.444 0.975 ( 0.555 0.000 -10.299) 10.314 1.119 ( -1.580 0.000 -2.086) 2.617 1.170 ( 0.418 0.000 1.308) 1.374 1.224 ( -2.387 0.000 -0.867) 2.539 1.295 ( -0.063 0.000 -2.758) 2.759 1.303 ( -2.047 0.000 -1.526) 2.554 1.328 ( 1.832 0.000 2.449) 3.058 1.343 ( -0.833 0.000 0.170) 0.851 1.410 ( 2.235 0.000 1.829) 2.888 1.431 ( -0.133 0.000 -0.955) 0.964 1.561 ( 0.571 0.000 1.558) 1.659 1.585 ( 0.325 0.000 -1.693) 1.724 1.743 ( -2.644 0.000 2.094) 3.373 1.779 ( 0.926 0.000 -0.640) 1.126 1.832 ( 2.177 0.000 1.487) 2.636 1.889 ( -2.459 0.000 -1.514) 2.888 2.142 ( 1.735 0.000 -0.325) 1.766 2.144 ( 0.157 0.000 -0.541) 0.563 2.188 ( 0.665 0.000 1.814) 1.932 2.241 ( -1.637 0.000 -0.325) 1.669 2.324 ( -0.095 0.000 1.255) 1.259 2.361 ( -0.246 0.000 -0.538) 0.591 2.541 ( -1.159 0.000 0.911) 1.474 2.583 ( 1.065 0.000 -0.936) 1.418 2.635 ( 1.067 0.000 -0.809) 1.339 2.636 ( -2.326 0.000 -1.367) 2.698 2.756 ( 1.346 0.000 0.646) 1.493 2.757 ( -0.218 0.000 0.257) 0.337 2.898 ( -0.915 0.000 1.323) 1.608 2.971 ( 1.877 0.000 -2.434) 3.074 3.064 ( 1.059 0.000 1.045) 1.488 3.075 ( -4.808 0.000 2.855) 5.592 3.145 ( 0.890 0.000 -2.786) 2.925 3.153 ( 0.131 0.000 -0.986) 0.994 3.269 ( 2.104 0.000 1.526) 2.600 3.302 ( -0.948 0.000 -0.418) 1.036 4.328 ( -2.593 0.000 3.549) 4.395 4.570 ( 3.651 0.000 -8.016) 8.808 5.274 ( -1.796 0.000 8.906) 9.085 5.564 ( 9.774 0.000 -4.634) 10.816 5.904 ( 0.328 0.000 0.247) 0.411 5.914 ( -1.269 0.000 -0.225) 1.288 5.926 ( 3.762 0.000 0.363) 3.780 5.949 ( -15.504 0.000 -0.765) 15.523 6.144 ( -5.350 0.000 0.424) 5.367 6.157 ( -6.992 0.000 0.951) 7.057 6.159 ( 1.157 0.000 -0.245) 1.183 6.194 ( 0.841 0.000 -0.644) 1.060 6.642 ( 0.377 0.000 -0.042) 0.379 6.647 ( -0.415 0.000 -0.295) 0.509 7.189 ( -3.645 0.000 4.843) 6.061 7.398 ( 25.631 0.000 -4.089) 25.955 7.662 ( 1.604 0.000 1.635) 2.291 7.772 ( -4.472 0.000 -3.654) 5.775 8.179 ( -1.073 0.000 2.287) 2.526 8.185 ( -11.986 0.000 6.065) 13.433 8.318 ( 3.267 0.000 -4.136) 5.270 8.441 ( 1.539 0.000 -6.078) 6.269 8.524 ( -1.631 0.000 3.836) 4.169 8.607 ( -1.536 0.000 0.505) 1.616 9.024 ( -1.299 0.000 0.548) 1.410 9.064 ( 1.577 0.000 -1.417) 2.120 9.092 ( 8.295 0.000 0.627) 8.319 9.117 ( -1.326 0.000 -0.272) 1.354 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 6.881 0.000 9.339) 11.600 0.369 ( 7.434 0.000 7.761) 10.747 0.537 ( 4.563 0.000 -0.267) 4.571 0.640 ( 17.606 0.000 8.966) 19.757 0.793 ( 6.768 0.000 -8.992) 11.255 0.902 ( 3.148 0.000 1.089) 3.331 0.908 ( 1.362 0.000 0.305) 1.396 0.958 ( 1.704 0.000 3.101) 3.539 1.001 ( 3.912 0.000 -10.140) 10.868 1.098 ( -0.719 0.000 -2.828) 2.918 1.168 ( -1.519 0.000 1.081) 1.865 1.232 ( -4.833 0.000 0.053) 4.833 1.244 ( 5.052 0.000 3.083) 5.919 1.281 ( -1.646 0.000 -3.444) 3.817 1.339 ( -0.808 0.000 0.996) 1.282 1.379 ( 3.343 0.000 -2.633) 4.255 1.412 ( -0.965 0.000 -0.070) 0.967 1.479 ( 4.761 0.000 1.755) 5.075 1.579 ( 1.690 0.000 1.634) 2.351 1.583 ( -1.152 0.000 -1.506) 1.896 1.681 ( -3.058 0.000 -0.660) 3.129 1.781 ( -0.747 0.000 0.544) 0.924 1.831 ( -2.578 0.000 -1.760) 3.122 1.857 ( 0.224 0.000 3.284) 3.292 2.125 ( -2.258 0.000 -0.963) 2.455 2.145 ( -1.081 0.000 -1.060) 1.514 2.225 ( 2.398 0.000 2.792) 3.680 2.228 ( 0.724 0.000 -1.479) 1.647 2.324 ( -0.113 0.000 1.696) 1.700 2.374 ( 1.535 0.000 -0.429) 1.594 2.518 ( -1.309 0.000 0.291) 1.341 2.601 ( 0.064 0.000 0.143) 0.157 2.602 ( -0.877 0.000 -1.459) 1.702 2.660 ( 1.781 0.000 0.275) 1.802 2.752 ( -0.036 0.000 -0.404) 0.405 2.777 ( 0.870 0.000 -0.038) 0.870 2.880 ( -0.876 0.000 0.159) 0.891 2.984 ( -1.150 0.000 1.194) 1.658 3.031 ( -0.767 0.000 -0.669) 1.018 3.085 ( 0.888 0.000 1.888) 2.086 3.151 ( 0.867 0.000 -1.383) 1.632 3.167 ( 0.958 0.000 -0.266) 0.994 3.271 ( -1.963 0.000 -1.020) 2.212 3.310 ( 1.411 0.000 0.320) 1.447 4.299 ( -0.346 0.000 1.549) 1.588 4.611 ( 1.150 0.000 -5.168) 5.295 5.045 ( -19.551 0.000 14.523) 24.355 5.122 ( -10.837 0.000 3.919) 11.524 5.898 ( -0.293 0.000 0.491) 0.572 5.900 ( 0.586 0.000 -0.950) 1.116 5.922 ( 0.238 0.000 -0.328) 0.405 5.966 ( 0.020 0.000 0.458) 0.459 6.176 ( 3.064 0.000 1.178) 3.282 6.191 ( 3.201 0.000 -0.603) 3.257 6.381 ( 11.379 0.000 5.032) 12.442 6.400 ( 8.122 0.000 -11.239) 13.867 6.672 ( 2.534 0.000 -0.187) 2.541 6.676 ( 4.819 0.000 0.306) 4.829 7.195 ( 3.757 0.000 1.071) 3.906 7.654 ( -5.769 0.000 0.344) 5.779 7.702 ( 1.547 0.000 2.852) 3.244 7.856 ( 16.142 0.000 -16.012) 22.736 8.057 ( -2.450 0.000 7.601) 7.986 8.127 ( -3.721 0.000 0.980) 3.848 8.315 ( -2.213 0.000 -3.443) 4.092 8.435 ( -1.594 0.000 -5.911) 6.122 8.555 ( 3.221 0.000 3.610) 4.838 8.584 ( -1.109 0.000 1.731) 2.056 8.954 ( -5.424 0.000 -0.234) 5.429 9.042 ( -3.204 0.000 -1.194) 3.419 9.074 ( -2.520 0.000 -1.656) 3.016 9.075 ( -5.445 0.000 3.304) 6.369 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( 7.791 0.000 6.104) 9.897 0.547 ( 9.944 0.000 -0.140) 9.945 0.624 ( 5.080 0.000 3.506) 6.173 0.871 ( 1.219 0.000 -5.268) 5.407 0.920 ( 4.655 0.000 1.252) 4.821 0.923 ( 0.515 0.000 -2.647) 2.697 0.984 ( 3.252 0.000 1.547) 3.601 1.042 ( 10.107 0.000 3.052) 10.557 1.079 ( 2.131 0.000 -3.713) 4.281 1.112 ( -2.217 0.000 -0.921) 2.401 1.128 ( -5.772 0.000 0.040) 5.773 1.150 ( 5.574 0.000 0.106) 5.575 1.222 ( -2.129 0.000 -1.702) 2.725 1.307 ( -0.401 0.000 0.576) 0.702 1.374 ( -1.950 0.000 1.065) 2.222 1.389 ( 7.248 0.000 -0.288) 7.254 1.480 ( 5.276 0.000 -0.685) 5.320 1.513 ( -3.329 0.000 -0.453) 3.359 1.584 ( 1.140 0.000 2.939) 3.152 1.633 ( 3.058 0.000 0.223) 3.066 1.640 ( 0.255 0.000 -3.769) 3.777 1.749 ( -2.086 0.000 0.469) 2.138 1.817 ( 1.874 0.000 -2.587) 3.194 1.854 ( -0.763 0.000 3.181) 3.271 2.062 ( -3.705 0.000 -1.280) 3.920 2.117 ( -1.468 0.000 -1.363) 2.003 2.256 ( 1.983 0.000 -1.056) 2.246 2.270 ( 1.854 0.000 2.161) 2.847 2.326 ( 0.167 0.000 2.131) 2.137 2.408 ( 1.307 0.000 -0.412) 1.370 2.495 ( -0.373 0.000 -0.807) 0.889 2.567 ( -3.471 0.000 2.261) 4.142 2.601 ( 0.879 0.000 -0.707) 1.129 2.699 ( 1.618 0.000 0.286) 1.643 2.758 ( 0.641 0.000 -0.891) 1.098 2.793 ( 0.623 0.000 -0.560) 0.838 2.874 ( 0.510 0.000 -1.084) 1.198 2.930 ( -3.676 0.000 2.678) 4.548 3.022 ( -0.169 0.000 -3.142) 3.147 3.112 ( 1.889 0.000 1.989) 2.743 3.151 ( -3.115 0.000 -0.842) 3.226 3.181 ( 1.602 0.000 1.428) 2.146 3.249 ( 0.117 0.000 0.028) 0.120 3.321 ( -0.081 0.000 -0.434) 0.442 4.319 ( 2.086 0.000 0.999) 2.313 4.612 ( -0.509 0.000 -2.945) 2.989 4.859 ( -4.186 0.000 5.256) 6.719 4.949 ( -6.533 0.000 0.664) 6.566 5.896 ( 0.003 0.000 0.676) 0.676 5.904 ( 0.019 0.000 -0.942) 0.942 5.922 ( -0.096 0.000 0.176) 0.200 5.952 ( -1.209 0.000 0.086) 1.212 6.269 ( 4.314 0.000 -1.175) 4.471 6.271 ( 6.451 0.000 2.643) 6.972 6.445 ( -0.218 0.000 -7.516) 7.519 6.499 ( 1.840 0.000 3.648) 4.086 6.719 ( 1.959 0.000 -0.684) 2.075 6.823 ( 6.352 0.000 4.377) 7.714 7.327 ( 9.273 0.000 -1.989) 9.484 7.563 ( -3.860 0.000 1.981) 4.338 7.692 ( -2.988 0.000 2.241) 3.735 7.976 ( -0.059 0.000 9.412) 9.412 8.074 ( 1.104 0.000 -9.904) 9.965 8.084 ( -0.008 0.000 1.292) 1.292 8.277 ( 0.362 0.000 -7.639) 7.648 8.373 ( -3.736 0.000 -6.087) 7.142 8.562 ( -1.435 0.000 3.753) 4.017 8.615 ( 1.900 0.000 3.316) 3.821 8.841 ( -5.171 0.000 0.046) 5.172 8.986 ( -3.666 0.000 3.187) 4.858 8.986 ( -1.898 0.000 -1.900) 2.686 9.012 ( -3.325 0.000 -1.936) 3.848 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 5.928 0.000 3.240) 6.755 0.701 ( 4.314 0.000 -0.222) 4.319 0.754 ( 8.070 0.000 2.946) 8.591 0.813 ( -5.038 0.000 0.989) 5.134 0.926 ( -2.752 0.000 -1.987) 3.394 0.957 ( 2.216 0.000 -4.246) 4.789 0.978 ( -5.941 0.000 -1.939) 6.250 1.030 ( -3.601 0.000 -2.246) 4.245 1.053 ( 1.463 0.000 2.686) 3.059 1.132 ( 2.806 0.000 -1.695) 3.278 1.149 ( 2.137 0.000 2.348) 3.175 1.247 ( 2.543 0.000 -0.173) 2.548 1.287 ( 3.896 0.000 0.380) 3.915 1.312 ( 0.423 0.000 -0.768) 0.877 1.337 ( -0.364 0.000 1.299) 1.349 1.461 ( -1.300 0.000 -1.501) 1.986 1.484 ( -0.945 0.000 1.025) 1.395 1.562 ( 2.141 0.000 0.381) 2.174 1.569 ( 3.185 0.000 0.123) 3.188 1.633 ( -3.096 0.000 0.293) 3.110 1.682 ( 1.677 0.000 0.339) 1.711 1.745 ( 1.000 0.000 -1.078) 1.470 1.834 ( -1.550 0.000 1.445) 2.119 1.880 ( 3.597 0.000 -3.613) 5.099 2.004 ( -1.159 0.000 0.068) 1.161 2.089 ( -1.230 0.000 -2.198) 2.519 2.291 ( 1.442 0.000 -0.042) 1.443 2.302 ( 1.102 0.000 1.057) 1.527 2.333 ( 0.435 0.000 1.813) 1.864 2.409 ( -0.432 0.000 -1.171) 1.248 2.488 ( -4.434 0.000 3.845) 5.869 2.520 ( 2.373 0.000 -0.153) 2.378 2.629 ( 1.799 0.000 0.323) 1.828 2.708 ( -0.602 0.000 -0.708) 0.930 2.771 ( 0.595 0.000 -0.791) 0.990 2.792 ( -0.657 0.000 -0.559) 0.862 2.869 ( -2.483 0.000 0.860) 2.628 2.903 ( 2.486 0.000 -1.257) 2.786 3.023 ( 0.752 0.000 -0.839) 1.127 3.069 ( -4.393 0.000 -1.356) 4.598 3.163 ( 2.901 0.000 1.928) 3.483 3.199 ( -0.077 0.000 1.280) 1.282 3.251 ( -0.402 0.000 0.790) 0.886 3.313 ( -0.491 0.000 -1.047) 1.157 4.370 ( 2.648 0.000 2.098) 3.379 4.585 ( -1.965 0.000 -3.449) 3.970 4.826 ( -0.448 0.000 1.932) 1.983 4.870 ( -1.802 0.000 0.296) 1.826 5.897 ( -0.053 0.000 0.525) 0.527 5.905 ( 0.275 0.000 -0.441) 0.519 5.919 ( -0.126 0.000 0.146) 0.193 5.929 ( -0.837 0.000 -0.073) 0.840 6.336 ( 2.348 0.000 -1.099) 2.593 6.380 ( -0.407 0.000 -0.791) 0.890 6.452 ( 5.987 0.000 0.007) 5.987 6.513 ( -0.474 0.000 2.243) 2.292 6.748 ( 1.599 0.000 0.181) 1.609 6.861 ( -2.173 0.000 1.239) 2.502 7.491 ( 5.759 0.000 -2.357) 6.223 7.494 ( -3.851 0.000 1.538) 4.147 7.660 ( 1.729 0.000 3.619) 4.011 7.970 ( -2.091 0.000 -0.943) 2.294 8.024 ( -2.810 0.000 3.893) 4.801 8.098 ( -0.474 0.000 2.697) 2.738 8.305 ( -1.558 0.000 -6.918) 7.091 8.320 ( 3.955 0.000 -10.644) 11.355 8.540 ( -0.969 0.000 4.939) 5.034 8.621 ( -1.168 0.000 2.364) 2.636 8.790 ( -0.041 0.000 2.261) 2.262 8.935 ( -2.144 0.000 1.482) 2.606 8.951 ( -1.777 0.000 -1.577) 2.375 8.971 ( -0.258 0.000 -2.482) 2.496 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -9.493 0.000 1.496) 9.611 0.714 ( -4.302 0.000 4.614) 6.308 0.780 ( -7.098 0.000 -0.890) 7.153 0.836 ( 5.971 0.000 1.782) 6.231 0.895 ( 2.297 0.000 -0.049) 2.298 0.909 ( -0.308 0.000 -2.907) 2.924 0.974 ( -1.935 0.000 -4.589) 4.980 0.978 ( 0.037 0.000 -0.904) 0.904 1.114 ( 3.773 0.000 1.871) 4.212 1.189 ( 3.267 0.000 -4.188) 5.311 1.200 ( 1.821 0.000 3.568) 4.006 1.245 ( -3.249 0.000 -1.232) 3.475 1.273 ( -3.157 0.000 -1.378) 3.445 1.292 ( -1.236 0.000 3.046) 3.287 1.344 ( -1.681 0.000 3.029) 3.464 1.399 ( -3.522 0.000 -4.162) 5.452 1.515 ( 2.586 0.000 1.936) 3.230 1.542 ( -3.547 0.000 0.161) 3.551 1.596 ( 1.091 0.000 -1.683) 2.006 1.611 ( -0.420 0.000 1.464) 1.523 1.710 ( 1.334 0.000 1.346) 1.896 1.728 ( -2.518 0.000 -2.163) 3.319 1.802 ( -1.693 0.000 0.308) 1.720 1.911 ( -0.135 0.000 -2.463) 2.467 2.029 ( 2.775 0.000 0.876) 2.910 2.070 ( -0.157 0.000 -3.009) 3.013 2.284 ( -2.843 0.000 0.909) 2.985 2.305 ( -0.065 0.000 0.475) 0.480 2.363 ( 1.265 0.000 1.096) 1.674 2.404 ( -0.074 0.000 -1.217) 1.220 2.432 ( -0.327 0.000 2.801) 2.820 2.562 ( 1.580 0.000 1.601) 2.249 2.663 ( 1.387 0.000 1.512) 2.051 2.683 ( -1.637 0.000 -1.854) 2.473 2.773 ( -1.029 0.000 -1.464) 1.790 2.776 ( -0.097 0.000 -0.347) 0.360 2.841 ( -0.317 0.000 -0.110) 0.335 2.945 ( 0.599 0.000 1.155) 1.301 3.008 ( -0.506 0.000 -3.429) 3.466 3.055 ( 2.555 0.000 0.737) 2.659 3.180 ( -1.723 0.000 0.294) 1.747 3.217 ( 1.282 0.000 3.584) 3.807 3.235 ( -0.177 0.000 -0.403) 0.440 3.303 ( -0.498 0.000 -1.289) 1.382 4.413 ( 1.105 0.000 3.985) 4.136 4.532 ( -2.672 0.000 -5.229) 5.872 4.831 ( 0.662 0.000 2.003) 2.109 4.876 ( 2.353 0.000 0.108) 2.356 5.890 ( -0.605 0.000 0.225) 0.645 5.913 ( 0.257 0.000 -0.179) 0.313 5.922 ( 0.631 0.000 0.300) 0.698 5.927 ( 0.468 0.000 -0.189) 0.504 6.315 ( -4.468 0.000 -0.816) 4.542 6.351 ( -0.806 0.000 -0.204) 0.831 6.474 ( -3.836 0.000 0.077) 3.837 6.573 ( 3.778 0.000 0.775) 3.856 6.793 ( -3.536 0.000 -2.075) 4.100 6.821 ( 6.343 0.000 4.388) 7.713 7.406 ( -5.339 0.000 -1.618) 5.579 7.547 ( 1.163 0.000 0.349) 1.214 7.723 ( 0.863 0.000 7.034) 7.087 7.871 ( -5.150 0.000 -4.191) 6.640 8.046 ( 2.690 0.000 3.614) 4.505 8.059 ( -1.872 0.000 0.855) 2.058 8.311 ( 2.042 0.000 -6.954) 7.248 8.384 ( 3.378 0.000 -9.385) 9.975 8.551 ( 1.815 0.000 5.230) 5.536 8.606 ( -0.190 0.000 2.693) 2.700 8.826 ( 3.071 0.000 3.379) 4.566 8.895 ( -2.300 0.000 0.786) 2.430 8.931 ( -0.009 0.000 -2.975) 2.975 8.982 ( 1.609 0.000 -1.319) 2.080 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( -10.369 0.000 2.622) 10.695 0.546 ( -10.593 0.000 6.586) 12.473 0.679 ( -4.551 0.000 -1.224) 4.713 0.875 ( -1.689 0.000 2.748) 3.225 0.907 ( -2.166 0.000 -5.377) 5.797 0.924 ( -2.735 0.000 -0.673) 2.817 0.947 ( -0.228 0.000 -0.616) 0.657 0.975 ( 1.529 0.000 -1.326) 2.023 1.014 ( -15.556 0.000 1.840) 15.664 1.160 ( -3.551 0.000 -2.169) 4.161 1.184 ( 3.233 0.000 -0.026) 3.233 1.239 ( 0.232 0.000 -1.543) 1.560 1.266 ( -0.937 0.000 2.885) 3.033 1.302 ( 4.675 0.000 -0.557) 4.708 1.348 ( -0.704 0.000 -3.588) 3.657 1.375 ( 2.657 0.000 4.017) 4.816 1.477 ( -6.519 0.000 -1.701) 6.737 1.482 ( -2.218 0.000 0.737) 2.338 1.591 ( -4.110 0.000 -2.729) 4.933 1.606 ( -0.668 0.000 2.975) 3.049 1.693 ( 1.330 0.000 -2.525) 2.854 1.735 ( 1.758 0.000 1.351) 2.217 1.781 ( -0.101 0.000 -0.271) 0.289 1.903 ( 0.106 0.000 0.629) 0.638 2.079 ( 1.222 0.000 -2.709) 2.972 2.083 ( 2.543 0.000 0.128) 2.546 2.222 ( -2.931 0.000 0.599) 2.991 2.294 ( -1.057 0.000 0.607) 1.219 2.350 ( -1.507 0.000 2.813) 3.191 2.396 ( -0.736 0.000 -0.888) 1.154 2.491 ( 4.384 0.000 -1.204) 4.546 2.577 ( -0.349 0.000 2.718) 2.740 2.648 ( -1.592 0.000 -2.198) 2.714 2.685 ( 0.686 0.000 2.653) 2.740 2.747 ( -1.350 0.000 -2.829) 3.134 2.766 ( -0.721 0.000 0.056) 0.723 2.861 ( 2.351 0.000 -0.799) 2.483 2.930 ( -1.100 0.000 2.011) 2.292 3.030 ( 1.607 0.000 -2.415) 2.901 3.118 ( 3.448 0.000 1.543) 3.778 3.143 ( -1.809 0.000 0.276) 1.830 3.191 ( -1.952 0.000 0.719) 2.080 3.275 ( 2.094 0.000 1.375) 2.505 3.284 ( -1.460 0.000 -1.744) 2.275 4.416 ( -1.255 0.000 5.393) 5.537 4.490 ( -0.571 0.000 -7.082) 7.105 4.863 ( 2.943 0.000 5.124) 5.910 4.966 ( 7.078 0.000 0.497) 7.095 5.881 ( -0.260 0.000 0.094) 0.277 5.914 ( -0.081 0.000 -0.195) 0.211 5.938 ( 0.532 0.000 -0.553) 0.768 5.942 ( 1.112 0.000 0.644) 1.285 6.226 ( -4.310 0.000 0.520) 4.341 6.301 ( -4.519 0.000 0.906) 4.609 6.382 ( -4.844 0.000 -2.566) 5.482 6.608 ( 0.767 0.000 -1.445) 1.636 6.730 ( -3.024 0.000 -1.293) 3.289 6.962 ( 6.080 0.000 8.096) 10.125 7.271 ( -8.709 0.000 -8.682) 12.297 7.510 ( -6.895 0.000 7.536) 10.215 7.680 ( -3.305 0.000 2.756) 4.304 7.807 ( -0.957 0.000 -1.662) 1.918 8.084 ( 3.686 0.000 1.438) 3.956 8.114 ( 4.296 0.000 -1.045) 4.422 8.350 ( 2.638 0.000 -6.718) 7.217 8.419 ( 0.838 0.000 -9.014) 9.053 8.608 ( 2.698 0.000 4.087) 4.897 8.622 ( 1.347 0.000 2.851) 3.153 8.837 ( -2.811 0.000 2.198) 3.568 8.915 ( 4.784 0.000 3.255) 5.786 8.944 ( 1.940 0.000 -3.734) 4.208 9.033 ( 3.613 0.000 -0.498) 3.647 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( -5.678 0.000 7.242) 9.202 0.369 ( -7.852 0.000 11.911) 14.266 0.558 ( -14.831 0.000 3.820) 15.315 0.624 ( -10.701 0.000 2.099) 10.905 0.796 ( -6.844 0.000 -8.195) 10.677 0.855 ( -0.511 0.000 2.367) 2.421 0.920 ( -1.682 0.000 -0.539) 1.767 0.936 ( -0.594 0.000 0.574) 0.826 0.988 ( -0.735 0.000 -4.186) 4.250 1.144 ( 1.345 0.000 -4.130) 4.343 1.180 ( -3.344 0.000 1.903) 3.848 1.250 ( 3.479 0.000 -1.646) 3.848 1.286 ( 0.522 0.000 1.800) 1.874 1.323 ( -6.128 0.000 -2.514) 6.623 1.355 ( -0.838 0.000 0.340) 0.904 1.369 ( 1.741 0.000 -0.562) 1.829 1.396 ( -1.225 0.000 -0.713) 1.417 1.431 ( -2.647 0.000 1.097) 2.865 1.539 ( 1.019 0.000 0.058) 1.021 1.589 ( -0.771 0.000 0.900) 1.184 1.737 ( 2.832 0.000 -2.434) 3.734 1.765 ( 0.332 0.000 1.911) 1.940 1.796 ( 1.306 0.000 0.316) 1.344 1.911 ( 0.129 0.000 1.007) 1.015 2.106 ( 1.704 0.000 -1.403) 2.207 2.125 ( 1.697 0.000 -0.307) 1.725 2.187 ( -0.721 0.000 0.532) 0.896 2.270 ( -1.352 0.000 0.324) 1.391 2.330 ( -0.750 0.000 1.892) 2.035 2.377 ( -1.027 0.000 -0.481) 1.134 2.559 ( 2.274 0.000 -1.693) 2.835 2.562 ( -1.174 0.000 1.997) 2.317 2.625 ( -0.308 0.000 -1.569) 1.599 2.679 ( -1.711 0.000 0.587) 1.809 2.735 ( 0.595 0.000 -0.868) 1.052 2.757 ( -0.075 0.000 0.274) 0.284 2.914 ( -0.886 0.000 1.677) 1.897 2.919 ( 3.359 0.000 -1.943) 3.880 3.049 ( 0.571 0.000 0.298) 0.644 3.120 ( -0.422 0.000 1.765) 1.815 3.162 ( -0.899 0.000 -1.007) 1.349 3.166 ( -0.258 0.000 -0.095) 0.275 3.249 ( -0.963 0.000 -0.864) 1.294 3.305 ( 0.720 0.000 0.587) 0.929 4.379 ( -2.836 0.000 5.259) 5.975 4.507 ( 3.022 0.000 -8.475) 8.998 5.023 ( 16.325 0.000 14.160) 21.611 5.148 ( 10.488 0.000 4.268) 11.324 5.882 ( 0.481 0.000 -0.196) 0.520 5.908 ( -0.449 0.000 -0.058) 0.453 5.939 ( -0.505 0.000 -0.820) 0.963 5.963 ( 1.027 0.000 0.767) 1.281 6.162 ( -2.100 0.000 0.582) 2.179 6.200 ( -4.778 0.000 -0.014) 4.778 6.277 ( -6.047 0.000 -1.153) 6.155 6.616 ( 0.010 0.000 -2.693) 2.693 6.674 ( -2.341 0.000 -0.182) 2.348 6.945 ( -22.215 0.000 -23.017) 31.989 7.107 ( 4.550 0.000 10.710) 11.637 7.326 ( -10.482 0.000 9.329) 14.032 7.649 ( -0.351 0.000 -0.236) 0.423 7.809 ( 0.221 0.000 -0.725) 0.758 8.158 ( 2.815 0.000 2.748) 3.934 8.216 ( 6.239 0.000 -3.354) 7.084 8.382 ( -4.772 0.000 -9.277) 10.432 8.399 ( 2.989 0.000 -6.431) 7.092 8.607 ( -4.712 0.000 -0.911) 4.799 8.633 ( -0.602 0.000 1.570) 1.681 8.859 ( 7.503 0.000 10.843) 13.186 9.002 ( 3.250 0.000 1.970) 3.800 9.004 ( 4.042 0.000 -2.583) 4.797 9.102 ( 2.759 0.000 0.059) 2.760 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 3.260 5.611 8.123) 10.397 0.337 ( -0.173 6.149 9.990) 11.732 0.445 ( -0.371 7.555 11.458) 13.730 0.595 ( -0.808 4.560 -0.020) 4.631 0.717 ( 0.770 0.793 -8.194) 8.268 0.861 ( 0.292 0.041 1.090) 1.130 0.907 ( -0.573 0.811 -0.104) 0.998 0.934 ( 0.362 0.168 0.577) 0.702 0.996 ( 1.589 1.809 -7.411) 7.792 1.102 ( -2.096 -1.651 -2.925) 3.959 1.183 ( 1.675 0.116 0.733) 1.832 1.217 ( -3.166 -0.577 0.104) 3.219 1.283 ( -0.740 -0.939 -0.418) 1.266 1.288 ( 0.345 -1.036 -1.794) 2.101 1.302 ( -0.659 -1.074 -0.506) 1.358 1.363 ( 0.935 0.843 0.544) 1.371 1.424 ( -0.871 0.497 -1.534) 1.833 1.446 ( 1.355 1.308 0.303) 1.907 1.549 ( 1.015 -0.607 1.073) 1.596 1.597 ( -0.145 0.587 -0.384) 0.716 1.735 ( -2.704 -0.675 1.826) 3.332 1.767 ( 1.316 -0.787 -0.283) 1.559 1.832 ( 1.967 -0.073 1.452) 2.446 1.884 ( -2.005 -0.411 -1.315) 2.432 2.125 ( 0.641 -1.301 -0.689) 1.606 2.127 ( 0.399 -1.737 -0.595) 1.879 2.187 ( 1.523 0.109 2.178) 2.660 2.245 ( -1.464 0.233 -0.251) 1.503 2.322 ( 0.019 -0.182 1.117) 1.132 2.358 ( -0.184 -0.265 -0.559) 0.646 2.538 ( -0.882 -0.200 0.791) 1.201 2.575 ( 0.801 -0.642 -0.820) 1.314 2.636 ( -1.509 0.902 -1.413) 2.256 2.652 ( 0.852 0.898 -1.204) 1.726 2.746 ( 0.445 -0.863 0.372) 1.040 2.758 ( 0.621 0.160 0.134) 0.655 2.910 ( -0.675 0.965 1.222) 1.697 2.976 ( 1.579 0.285 -1.495) 2.193 3.064 ( 1.148 -0.021 0.789) 1.393 3.071 ( -3.036 -0.150 3.152) 4.379 3.124 ( -0.946 -0.990 -1.779) 2.245 3.152 ( 0.383 -0.231 -1.024) 1.117 3.271 ( 1.790 0.148 1.297) 2.216 3.303 ( -0.667 -0.008 -0.404) 0.779 4.345 ( -2.202 1.781 4.317) 5.163 4.650 ( 2.376 6.003 -11.072) 12.817 5.140 ( -1.037 -12.883 11.112) 17.045 5.322 ( 0.727 -11.995 6.716) 13.766 5.901 ( -0.061 -0.206 0.090) 0.233 5.906 ( -1.032 -0.715 0.014) 1.256 5.918 ( -4.191 -0.824 0.605) 4.313 5.922 ( 1.341 -0.464 0.248) 1.441 6.134 ( -1.570 -0.513 0.288) 1.677 6.143 ( 0.709 -0.785 0.267) 1.091 6.163 ( -1.803 0.006 0.464) 1.862 6.192 ( 0.643 -0.295 -0.639) 0.954 6.639 ( 0.484 -0.169 -0.122) 0.527 6.644 ( -0.564 -0.231 -0.262) 0.664 7.138 ( 2.886 -3.814 5.938) 7.625 7.239 ( 5.463 -4.821 3.924) 8.276 7.676 ( 0.291 1.243 1.675) 2.107 7.755 ( -4.097 0.105 -1.756) 4.458 7.910 ( 1.346 -2.307 9.165) 9.547 8.269 ( 1.492 -4.647 -7.818) 9.216 8.472 ( -0.663 4.217 -0.667) 4.320 8.502 ( 1.403 0.139 0.491) 1.493 8.581 ( -5.032 2.470 -4.096) 6.943 8.611 ( -0.813 3.772 -0.921) 3.967 8.945 ( 0.719 -4.623 1.059) 4.797 9.023 ( -1.382 -1.017 -2.247) 2.828 9.138 ( 2.467 0.985 1.256) 2.938 9.164 ( 2.050 1.745 0.759) 2.797 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.385 ( 6.868 4.144 6.961) 10.620 0.424 ( 5.242 4.934 5.830) 9.263 0.581 ( 4.969 4.048 0.108) 6.410 0.673 ( 13.888 2.846 7.164) 15.884 0.808 ( 7.439 1.386 -7.852) 10.904 0.884 ( 2.198 -0.840 0.476) 2.400 0.916 ( 1.485 0.466 0.483) 1.630 0.954 ( 1.499 0.229 1.033) 1.834 1.036 ( 3.326 1.560 -5.357) 6.496 1.081 ( -0.220 -1.407 -4.577) 4.794 1.159 ( -2.422 -0.453 1.909) 3.117 1.237 ( -1.725 0.250 0.584) 1.838 1.256 ( 2.674 1.245 1.830) 3.471 1.284 ( 0.345 0.120 -2.233) 2.263 1.327 ( 1.038 -0.896 -0.398) 1.428 1.388 ( 2.268 -0.344 -0.718) 2.404 1.392 ( -1.797 -0.462 -1.457) 2.359 1.485 ( 3.286 0.134 0.762) 3.376 1.574 ( 0.089 -0.282 1.221) 1.256 1.588 ( 0.483 0.230 -0.371) 0.651 1.678 ( -2.636 -0.235 -0.637) 2.722 1.767 ( -1.639 -1.076 0.179) 1.969 1.834 ( -1.889 -0.045 -0.943) 2.112 1.856 ( 0.230 0.021 2.480) 2.491 2.113 ( -1.529 -1.046 -0.963) 2.088 2.134 ( -0.430 -1.048 -0.869) 1.427 2.217 ( 0.675 -0.205 0.806) 1.071 2.236 ( 1.638 0.247 0.582) 1.756 2.325 ( 0.057 0.021 1.313) 1.314 2.368 ( 1.156 -0.572 -0.426) 1.358 2.521 ( -0.980 0.351 0.255) 1.072 2.590 ( -0.111 -0.169 -0.366) 0.418 2.618 ( 0.203 0.607 -0.990) 1.179 2.668 ( 0.875 0.783 0.057) 1.176 2.749 ( 0.008 -0.491 -0.343) 0.598 2.771 ( 0.788 -0.362 -0.420) 0.963 2.887 ( -1.394 0.628 0.294) 1.557 2.977 ( -0.983 -0.668 0.777) 1.420 3.042 ( -1.267 1.000 -0.629) 1.732 3.086 ( 0.956 0.091 1.670) 1.926 3.124 ( 1.567 -1.451 -0.284) 2.154 3.168 ( 0.859 -0.053 -0.410) 0.953 3.274 ( -1.597 0.153 -0.758) 1.775 3.308 ( 1.127 -0.206 0.328) 1.192 4.325 ( -0.101 2.426 2.624) 3.575 4.660 ( -0.225 4.032 -7.231) 8.282 4.965 ( -11.516 -6.374 10.327) 16.730 5.099 ( -11.611 -2.603 4.369) 12.676 5.894 ( -0.017 -0.243 0.355) 0.430 5.898 ( 0.335 -0.209 -0.763) 0.859 5.922 ( 0.419 -0.030 -0.282) 0.506 5.960 ( 0.223 -0.591 0.453) 0.777 6.174 ( 3.204 -0.263 0.991) 3.365 6.185 ( 3.310 -0.470 -0.485) 3.378 6.339 ( 9.985 -3.111 -1.306) 10.539 6.371 ( 11.663 -2.534 -2.530) 12.200 6.655 ( 2.243 -0.870 0.206) 2.415 6.672 ( 3.767 -0.741 -0.143) 3.842 7.190 ( 4.439 -0.424 0.349) 4.473 7.485 ( 9.986 -15.309 4.148) 18.742 7.697 ( 2.791 -0.755 -2.822) 4.041 7.732 ( 3.593 0.707 1.608) 3.999 7.951 ( 1.803 -0.043 7.568) 7.780 8.250 ( -2.486 -4.538 -8.178) 9.678 8.359 ( -9.534 3.753 -5.371) 11.568 8.438 ( -4.242 0.024 4.314) 6.051 8.557 ( 0.805 3.237 -1.938) 3.858 8.659 ( 3.555 3.790 1.486) 5.405 8.912 ( -4.132 -2.744 0.421) 4.978 8.965 ( -3.242 -2.724 1.187) 4.398 9.060 ( -5.681 1.093 -1.864) 6.078 9.177 ( -3.445 1.629 0.379) 3.830 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 7.146 2.974 5.026) 9.229 0.576 ( 9.374 2.737 -0.355) 9.772 0.658 ( 4.069 3.119 3.455) 6.182 0.874 ( 3.826 -0.927 -4.152) 5.722 0.890 ( -0.862 0.189 -0.560) 1.045 0.959 ( 3.883 1.733 -1.195) 4.417 0.976 ( 2.139 -0.887 1.702) 2.874 1.027 ( 8.565 -0.592 2.258) 8.877 1.071 ( -2.046 -1.815 -1.315) 3.035 1.100 ( 2.343 1.190 -2.583) 3.685 1.148 ( -0.000 0.269 1.070) 1.103 1.179 ( 0.082 2.584 -0.629) 2.661 1.234 ( -0.785 0.826 -1.627) 1.986 1.309 ( -1.417 0.219 -0.022) 1.434 1.349 ( -1.177 -2.124 0.752) 2.542 1.398 ( 6.004 0.644 0.131) 6.040 1.462 ( 2.132 -1.439 -0.755) 2.681 1.521 ( 0.600 0.776 0.290) 1.023 1.587 ( 2.303 0.298 2.291) 3.262 1.630 ( -1.075 -0.716 -3.460) 3.693 1.644 ( 3.225 0.625 0.179) 3.290 1.727 ( -1.650 -1.694 0.055) 2.365 1.820 ( 1.071 0.022 -1.439) 1.794 1.859 ( -0.250 0.471 2.159) 2.224 2.062 ( -3.261 0.056 -1.171) 3.466 2.114 ( -1.206 -0.266 -1.195) 1.719 2.241 ( 1.854 -0.765 0.020) 2.006 2.279 ( 2.152 0.239 1.326) 2.539 2.327 ( 0.123 0.137 1.577) 1.588 2.392 ( 0.892 -1.305 -0.146) 1.588 2.501 ( -0.634 0.577 -0.666) 1.085 2.570 ( -2.324 0.348 1.323) 2.697 2.617 ( 0.159 1.200 -0.135) 1.218 2.695 ( 1.454 -0.408 0.112) 1.515 2.756 ( 0.746 -0.189 -0.953) 1.225 2.787 ( 0.737 -0.556 -0.773) 1.204 2.868 ( -0.343 -0.062 -0.702) 0.784 2.944 ( -2.387 0.624 2.124) 3.256 3.016 ( -0.655 -0.149 -2.643) 2.727 3.115 ( 1.933 0.193 1.761) 2.622 3.150 ( -2.800 -0.191 -0.887) 2.943 3.167 ( 1.860 -0.725 1.207) 2.333 3.254 ( -0.208 0.239 0.133) 0.344 3.317 ( -0.139 -0.463 -0.386) 0.618 4.346 ( 1.888 2.500 1.806) 3.616 4.638 ( -1.218 2.318 -4.021) 4.799 4.836 ( -3.380 -2.333 4.389) 6.011 4.929 ( -6.265 -1.743 1.178) 6.608 5.894 ( -0.033 -0.187 0.488) 0.524 5.902 ( 0.103 -0.181 -0.693) 0.724 5.923 ( -0.042 0.115 0.096) 0.156 5.948 ( -1.061 -0.308 0.082) 1.108 6.265 ( 4.549 -0.329 -0.846) 4.639 6.268 ( 6.147 -0.299 2.039) 6.484 6.425 ( 0.641 -1.449 -4.914) 5.163 6.499 ( 2.517 -0.229 1.848) 3.131 6.711 ( 2.539 -0.676 0.094) 2.629 6.799 ( 6.607 -2.143 2.645) 7.432 7.321 ( 8.574 -0.515 -2.330) 8.900 7.527 ( -1.583 -3.697 3.412) 5.274 7.709 ( -1.477 1.547 1.566) 2.651 7.895 ( 6.418 -7.455 -1.088) 9.898 7.998 ( 2.816 0.972 4.612) 5.491 8.183 ( -2.772 -1.309 -3.885) 4.948 8.200 ( -4.204 -2.335 -6.208) 7.852 8.358 ( -4.703 -0.281 0.804) 4.780 8.567 ( 0.201 1.187 0.984) 1.555 8.706 ( 0.377 5.536 0.874) 5.617 8.834 ( -3.489 -2.166 -0.372) 4.123 8.888 ( -3.385 -1.925 1.871) 4.320 8.972 ( -2.998 -1.905 -2.102) 4.127 9.081 ( -5.294 1.715 -0.218) 5.570 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 6.215 2.396 2.962) 7.290 0.716 ( 3.224 1.530 -0.017) 3.569 0.770 ( 6.813 1.500 3.011) 7.598 0.823 ( -3.985 0.891 0.396) 4.102 0.900 ( -1.417 -1.132 -2.688) 3.242 0.974 ( -3.491 -0.142 -1.619) 3.851 1.001 ( 0.172 2.254 -3.138) 3.867 1.023 ( 0.223 -0.019 1.239) 1.259 1.064 ( -1.919 0.660 0.476) 2.085 1.131 ( 2.254 -0.126 -0.732) 2.373 1.158 ( 1.792 0.905 0.604) 2.097 1.232 ( 2.970 -1.301 0.177) 3.247 1.281 ( 0.635 -0.800 -0.499) 1.137 1.301 ( -0.277 -0.704 0.203) 0.783 1.325 ( 0.593 -0.961 0.596) 1.277 1.432 ( -1.128 -2.429 -1.201) 2.935 1.504 ( 1.024 1.742 0.843) 2.189 1.570 ( 1.333 0.353 -0.026) 1.379 1.581 ( 2.433 1.247 0.271) 2.748 1.647 ( -2.627 0.823 -0.194) 2.760 1.659 ( 1.478 -1.507 0.959) 2.318 1.748 ( 2.056 -0.062 -1.530) 2.563 1.835 ( -1.174 0.069 1.125) 1.627 1.877 ( 2.718 -0.184 -3.037) 4.080 2.010 ( -1.091 0.584 0.170) 1.249 2.089 ( -1.189 -0.029 -1.897) 2.239 2.282 ( 2.071 -0.383 0.306) 2.128 2.310 ( 0.368 0.178 0.803) 0.901 2.333 ( 0.548 0.111 1.417) 1.523 2.389 ( -0.771 -1.474 0.235) 1.680 2.504 ( -2.863 0.954 1.931) 3.583 2.519 ( 1.293 0.127 0.074) 1.302 2.636 ( 1.413 0.602 0.339) 1.572 2.706 ( -0.393 -0.284 -0.716) 0.864 2.770 ( 0.561 -0.135 -0.788) 0.977 2.789 ( -0.481 -0.365 -0.937) 1.115 2.865 ( -0.704 0.201 0.270) 0.780 2.918 ( 0.694 0.849 -0.633) 1.266 3.017 ( 0.795 -0.428 -0.611) 1.091 3.072 ( -3.990 0.314 -0.978) 4.120 3.166 ( 2.870 0.301 1.422) 3.217 3.191 ( 0.267 -0.537 1.027) 1.190 3.247 ( -0.879 -0.384 0.957) 1.355 3.308 ( -0.479 -0.515 -1.037) 1.253 4.391 ( 2.224 1.919 2.425) 3.809 4.605 ( -1.907 1.703 -3.867) 4.636 4.808 ( -0.368 -1.845 2.006) 2.750 4.854 ( -1.795 -1.383 0.598) 2.344 5.895 ( -0.008 -0.179 0.410) 0.448 5.903 ( 0.106 -0.218 -0.328) 0.408 5.922 ( -0.058 0.198 0.095) 0.227 5.929 ( -0.656 -0.008 -0.061) 0.659 6.335 ( 2.359 -0.181 -1.107) 2.612 6.384 ( 0.321 0.474 -0.610) 0.836 6.422 ( 4.021 -2.131 1.177) 4.700 6.525 ( 0.607 0.513 0.554) 0.969 6.749 ( 1.776 0.072 0.552) 1.861 6.851 ( -1.362 -0.969 0.797) 1.852 7.456 ( 2.358 -1.997 -0.840) 3.202 7.497 ( -0.086 -0.937 0.302) 0.989 7.696 ( 1.513 2.913 3.384) 4.714 7.919 ( -2.128 -3.770 -2.334) 4.919 8.035 ( 0.148 1.805 5.927) 6.198 8.159 ( -0.759 2.865 -0.337) 2.983 8.204 ( 3.276 -8.257 -5.049) 10.218 8.267 ( -2.816 -2.562 -3.502) 5.172 8.564 ( -0.355 1.128 0.949) 1.517 8.676 ( -2.530 4.172 -0.787) 4.942 8.796 ( -0.048 -0.789 2.012) 2.161 8.868 ( -0.059 -2.527 1.623) 3.004 8.930 ( -0.946 -2.018 -1.609) 2.748 8.998 ( -2.810 0.404 -1.274) 3.112 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( -9.233 2.048 1.184) 9.531 0.733 ( -3.657 1.637 4.409) 5.958 0.795 ( -6.320 1.450 -1.196) 6.593 0.837 ( 5.919 0.198 1.151) 6.033 0.892 ( -0.595 0.022 1.115) 1.264 0.929 ( 2.137 1.935 -2.672) 3.931 0.982 ( -1.826 0.751 -3.664) 4.162 1.008 ( -0.279 2.267 -0.892) 2.452 1.110 ( 3.767 -0.300 1.651) 4.124 1.156 ( -0.679 -2.086 0.234) 2.207 1.192 ( 1.000 -0.886 -0.798) 1.556 1.256 ( -1.021 -1.103 -0.824) 1.714 1.260 ( 0.441 0.777 -0.195) 0.914 1.291 ( 0.042 -0.738 1.213) 1.420 1.339 ( -1.376 -0.371 2.147) 2.577 1.381 ( -3.359 -1.390 -3.024) 4.729 1.527 ( 1.193 1.083 0.958) 1.875 1.559 ( -3.919 1.633 0.156) 4.249 1.585 ( -0.671 -0.412 0.030) 0.788 1.629 ( 0.689 0.854 -0.178) 1.111 1.682 ( 1.237 -1.763 1.502) 2.626 1.740 ( -2.310 0.357 -2.548) 3.458 1.803 ( -1.893 0.179 0.546) 1.978 1.902 ( -0.128 -0.738 -2.100) 2.230 2.033 ( 2.597 0.374 0.836) 2.753 2.072 ( -0.128 0.109 -2.625) 2.631 2.281 ( -3.190 -0.372 0.701) 3.287 2.301 ( -0.262 -0.374 0.735) 0.865 2.364 ( 1.617 0.015 0.679) 1.754 2.376 ( -0.397 -1.467 1.132) 1.895 2.465 ( 0.020 2.022 0.297) 2.043 2.559 ( 1.667 -0.251 1.506) 2.261 2.663 ( 1.140 -0.024 1.280) 1.714 2.683 ( -1.539 -0.056 -1.637) 2.248 2.771 ( -1.092 -0.153 -1.569) 1.917 2.774 ( -0.141 -0.266 -0.568) 0.643 2.849 ( -0.261 0.953 0.110) 0.994 2.948 ( 0.596 0.152 0.606) 0.864 3.010 ( -0.237 0.242 -2.637) 2.658 3.057 ( 2.302 0.171 0.656) 2.400 3.178 ( -1.514 -0.176 0.230) 1.541 3.216 ( -0.548 -0.295 3.203) 3.263 3.228 ( 1.407 -0.456 -0.355) 1.521 3.299 ( -0.424 -0.431 -1.223) 1.364 4.426 ( 0.839 1.308 3.977) 4.269 4.560 ( -1.841 2.441 -5.252) 6.077 4.816 ( 0.830 -1.612 2.163) 2.822 4.856 ( 1.951 -1.715 0.270) 2.611 5.888 ( -0.535 -0.119 0.181) 0.578 5.911 ( 0.512 -0.261 -0.125) 0.588 5.923 ( 0.253 0.124 0.158) 0.322 5.928 ( 0.415 0.055 -0.100) 0.431 6.316 ( -4.161 0.149 -0.614) 4.209 6.356 ( -1.144 0.496 -0.315) 1.286 6.456 ( -2.916 -1.591 0.634) 3.382 6.564 ( 2.793 -0.993 -0.051) 2.965 6.789 ( -2.235 -0.372 -0.329) 2.290 6.814 ( 3.366 -0.577 2.291) 4.112 7.399 ( -5.397 -0.707 -1.291) 5.594 7.530 ( 0.897 -1.669 0.428) 1.942 7.744 ( 0.743 1.621 5.588) 5.866 7.853 ( -3.250 -1.481 -2.726) 4.493 8.052 ( -0.132 0.693 3.827) 3.892 8.087 ( -3.155 1.882 -2.757) 4.593 8.255 ( 3.320 -4.652 -2.344) 6.177 8.309 ( 4.646 -5.217 -3.484) 7.806 8.573 ( 1.600 1.009 1.414) 2.361 8.636 ( -1.207 2.899 -1.153) 3.346 8.822 ( 1.979 -1.594 2.524) 3.581 8.856 ( -1.458 -1.808 0.723) 2.432 8.943 ( 2.237 0.111 -0.655) 2.333 8.979 ( 1.220 -0.104 -1.885) 2.248 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -9.583 3.306 1.716) 10.282 0.597 ( -8.686 4.300 6.133) 11.470 0.699 ( -4.372 1.994 -1.114) 4.933 0.852 ( -2.334 -1.341 1.085) 2.903 0.920 ( -0.862 0.310 0.608) 1.100 0.932 ( -1.938 1.492 -6.180) 6.647 0.963 ( -0.820 1.097 0.371) 1.418 0.993 ( -0.989 1.541 0.205) 1.842 1.013 ( -11.744 0.173 1.364) 11.824 1.162 ( 0.561 -0.095 -1.691) 1.784 1.195 ( -1.846 0.180 0.754) 2.002 1.227 ( 1.008 -0.788 -2.264) 2.601 1.270 ( -0.903 0.043 2.509) 2.667 1.292 ( 0.439 -0.794 -1.753) 1.974 1.331 ( 2.499 -0.589 -1.416) 2.932 1.386 ( 3.427 0.350 2.123) 4.047 1.469 ( -6.079 0.134 -0.445) 6.097 1.503 ( -3.021 1.190 -0.557) 3.295 1.565 ( -2.217 -1.428 0.348) 2.660 1.618 ( -3.116 0.341 -0.168) 3.139 1.699 ( 1.548 0.354 -1.902) 2.478 1.722 ( 2.016 -1.085 0.596) 2.366 1.778 ( -0.347 -0.072 0.371) 0.513 1.893 ( -0.101 -0.873 0.555) 1.039 2.080 ( 1.183 0.031 -2.391) 2.668 2.084 ( 2.199 -0.006 0.061) 2.200 2.213 ( -3.184 -0.708 0.589) 3.314 2.288 ( -0.946 -0.611 0.992) 1.501 2.349 ( -1.445 -0.115 1.919) 2.405 2.387 ( -0.257 -0.709 -0.509) 0.910 2.507 ( 3.438 1.368 -1.366) 3.944 2.574 ( -0.330 -0.213 2.434) 2.466 2.650 ( -1.353 0.038 -1.781) 2.237 2.685 ( 0.769 0.003 2.311) 2.436 2.743 ( -1.339 -0.159 -2.766) 3.077 2.763 ( -0.873 -0.354 -0.195) 0.962 2.868 ( 2.086 0.780 -0.612) 2.310 2.933 ( -1.012 0.298 1.716) 2.014 3.033 ( 1.450 0.272 -2.350) 2.775 3.114 ( 3.018 -0.317 1.656) 3.457 3.144 ( -1.740 0.003 0.172) 1.749 3.183 ( -1.763 -0.718 0.575) 1.989 3.273 ( 1.966 -0.169 1.070) 2.245 3.282 ( -1.236 -0.195 -1.372) 1.857 4.426 ( -1.360 1.051 5.334) 5.604 4.542 ( 1.070 4.338 -7.294) 8.553 4.848 ( 2.580 -1.621 4.836) 5.716 4.935 ( 6.354 -2.658 0.436) 6.902 5.881 ( -0.226 -0.035 0.074) 0.240 5.913 ( -0.114 -0.074 -0.219) 0.258 5.935 ( 0.542 -0.230 -0.293) 0.658 5.940 ( 0.881 -0.187 0.407) 0.989 6.228 ( -4.411 0.230 0.400) 4.435 6.297 ( -4.956 -0.349 0.850) 5.040 6.374 ( -4.549 -0.577 -2.284) 5.123 6.594 ( 0.798 -1.488 -1.302) 2.132 6.728 ( -3.208 -0.200 -0.783) 3.309 6.884 ( 0.493 -6.575 5.291) 8.454 7.251 ( -9.553 -1.154 -5.346) 11.008 7.481 ( -7.143 -2.577 5.697) 9.493 7.718 ( -2.307 2.986 1.682) 4.131 7.817 ( -0.221 0.563 -0.206) 0.638 7.991 ( -3.665 -5.698 0.001) 6.775 8.124 ( 4.027 0.284 -2.412) 4.702 8.323 ( 3.770 -2.069 -3.879) 5.792 8.406 ( 5.510 -1.588 -0.212) 5.738 8.617 ( -0.132 0.684 0.082) 0.702 8.649 ( 5.335 2.351 0.547) 5.855 8.818 ( -2.027 -1.852 2.608) 3.787 8.868 ( 2.275 -2.595 0.095) 3.452 8.996 ( 3.206 2.877 -2.774) 5.123 9.045 ( 5.080 0.517 0.723) 5.157 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( -4.927 5.249 4.778) 8.640 0.451 ( -7.133 6.401 9.232) 13.307 0.593 ( -10.385 3.152 2.108) 11.055 0.667 ( -10.968 4.133 2.804) 12.051 0.786 ( -4.794 -0.781 -5.191) 7.109 0.876 ( -2.328 1.951 0.384) 3.061 0.931 ( -1.527 0.692 -0.354) 1.714 0.940 ( -0.958 0.592 0.092) 1.130 0.995 ( -0.573 0.402 -3.632) 3.699 1.148 ( 0.165 -0.231 -5.303) 5.310 1.174 ( -2.447 -0.475 2.102) 3.261 1.245 ( 2.231 -0.946 -0.572) 2.490 1.270 ( -0.274 -1.135 1.533) 1.927 1.307 ( 0.215 -2.026 -0.305) 2.060 1.330 ( -4.658 0.760 -2.130) 5.178 1.397 ( 0.699 0.369 -0.903) 1.200 1.410 ( -1.544 0.947 -0.255) 1.829 1.441 ( -1.664 0.990 -0.129) 1.941 1.533 ( 0.714 -0.427 0.980) 1.285 1.591 ( 0.129 0.123 0.689) 0.711 1.734 ( 1.859 -0.189 -2.295) 2.960 1.759 ( 0.656 -0.581 1.422) 1.671 1.790 ( 1.423 -0.328 0.985) 1.761 1.900 ( 0.272 -1.006 0.917) 1.389 2.103 ( 1.352 -0.426 -1.517) 2.076 2.117 ( 1.107 -0.734 -0.256) 1.353 2.174 ( -0.667 -0.729 0.714) 1.219 2.269 ( -1.055 -0.251 0.624) 1.252 2.327 ( -0.828 -0.153 1.371) 1.609 2.372 ( -0.958 -0.432 -0.432) 1.136 2.550 ( 0.090 -0.390 0.228) 0.461 2.569 ( 0.274 0.166 0.020) 0.321 2.634 ( 0.193 0.667 -1.602) 1.746 2.677 ( -1.784 0.227 -0.043) 1.799 2.737 ( 0.787 0.161 -0.758) 1.105 2.749 ( -0.277 -0.731 0.415) 0.885 2.909 ( 0.999 0.379 0.710) 1.283 2.933 ( 1.708 0.769 -0.387) 1.912 3.049 ( 0.489 0.046 0.074) 0.497 3.112 ( -1.328 -0.481 1.541) 2.090 3.154 ( -1.071 -0.835 0.000) 1.358 3.158 ( 0.031 -0.443 -0.627) 0.768 3.253 ( -0.724 0.387 -0.686) 1.070 3.302 ( 0.771 -0.203 0.513) 0.948 4.390 ( -2.646 1.191 5.514) 6.231 4.591 ( 4.342 6.441 -10.728) 13.245 4.965 ( 10.102 -5.138 11.926) 16.453 5.104 ( 10.620 -3.825 3.259) 11.748 5.881 ( 0.368 -0.069 -0.129) 0.396 5.907 ( -0.435 -0.093 -0.116) 0.460 5.935 ( -0.615 -0.378 -0.713) 1.015 5.957 ( 0.596 -0.547 0.727) 1.088 6.161 ( -2.308 -0.078 0.469) 2.356 6.194 ( -4.726 -0.514 0.030) 4.754 6.269 ( -6.111 -0.706 -0.974) 6.228 6.581 ( -7.005 -6.417 -4.685) 10.592 6.670 ( -2.628 -0.507 -0.085) 2.677 6.715 ( -17.511 -11.337 -2.878) 21.058 7.094 ( -2.640 0.329 3.752) 4.599 7.310 ( -8.872 -1.791 6.142) 10.938 7.685 ( -1.163 2.772 -0.619) 3.069 7.822 ( -0.644 1.064 -1.112) 1.668 7.911 ( -3.714 -8.106 6.493) 11.030 8.212 ( 4.730 -1.916 -5.021) 7.159 8.398 ( 4.714 0.458 -4.206) 6.334 8.491 ( 2.250 2.465 0.320) 3.353 8.605 ( -0.782 -0.680 0.322) 1.085 8.705 ( -3.004 2.933 -5.043) 6.562 8.886 ( 10.640 0.451 7.766) 13.180 8.912 ( 2.727 -3.343 -0.427) 4.335 9.053 ( 2.634 2.068 -3.323) 4.718 9.139 ( 3.459 1.857 1.487) 4.198 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 2.668 8.459 1.926) 9.076 0.476 ( -0.526 6.802 5.242) 8.604 0.607 ( -1.495 7.687 5.132) 9.363 0.710 ( -0.175 4.295 -1.360) 4.509 0.740 ( 0.853 2.787 -2.788) 4.033 0.855 ( -0.250 -0.686 1.254) 1.451 0.921 ( -1.086 0.681 0.993) 1.622 0.955 ( 0.637 1.608 -1.204) 2.107 1.034 ( 2.706 1.078 -4.307) 5.200 1.047 ( -3.135 -3.402 -3.080) 5.558 1.167 ( 2.285 -1.057 2.033) 3.236 1.200 ( -2.779 -1.053 1.821) 3.486 1.244 ( 1.404 -2.855 -0.533) 3.226 1.259 ( -0.545 -1.627 -1.594) 2.343 1.314 ( -1.046 1.805 -1.366) 2.493 1.385 ( 0.809 1.344 -0.433) 1.627 1.436 ( -2.265 0.541 -2.819) 3.656 1.457 ( 1.814 -0.258 -1.186) 2.182 1.547 ( 1.243 0.501 2.590) 2.916 1.598 ( -0.832 -0.566 0.936) 1.374 1.724 ( -2.317 -0.236 0.815) 2.467 1.750 ( 1.249 -0.843 -0.529) 1.597 1.829 ( 1.452 -0.112 1.029) 1.783 1.874 ( -1.245 -0.582 -1.093) 1.756 2.085 ( 0.338 -1.924 -0.287) 1.975 2.096 ( 0.153 -1.473 -0.531) 1.573 2.194 ( 1.474 0.563 1.932) 2.494 2.245 ( -0.885 -0.353 -0.036) 0.953 2.321 ( 0.085 0.173 0.541) 0.574 2.351 ( -0.179 -0.358 -0.628) 0.745 2.535 ( -0.365 -0.062 0.221) 0.431 2.561 ( 0.666 -0.740 -0.875) 1.326 2.659 ( -1.214 1.047 -1.500) 2.196 2.679 ( 0.888 1.707 -1.166) 2.250 2.728 ( -0.176 -0.853 0.769) 1.162 2.758 ( 0.798 -0.283 -0.202) 0.870 2.931 ( -0.901 0.955 1.325) 1.865 2.975 ( 0.337 -0.432 0.117) 0.560 3.067 ( 0.825 0.554 0.667) 1.197 3.078 ( -0.690 0.787 1.384) 1.736 3.109 ( -1.272 -0.641 -0.931) 1.702 3.143 ( 0.600 -0.611 -1.272) 1.533 3.276 ( 1.002 0.380 0.731) 1.298 3.301 ( -0.349 -0.173 -0.328) 0.509 4.406 ( -1.419 4.151 5.805) 7.276 4.774 ( 1.074 5.721 -10.025) 11.593 4.880 ( -0.700 -10.985 8.288) 13.779 5.136 ( 0.230 -7.487 1.181) 7.583 5.895 ( 0.664 -0.283 0.025) 0.723 5.897 ( -0.930 -0.181 -0.079) 0.951 5.906 ( -1.602 -0.405 0.232) 1.669 5.913 ( 1.209 -0.432 -0.012) 1.284 6.127 ( 0.281 -0.085 0.135) 0.323 6.132 ( 0.089 -0.226 0.051) 0.248 6.161 ( -1.064 -0.248 0.442) 1.178 6.181 ( 0.582 -0.765 -0.394) 1.039 6.636 ( 0.249 -0.062 -0.141) 0.293 6.641 ( -0.550 -0.102 -0.204) 0.596 7.101 ( 2.489 -0.137 2.362) 3.434 7.181 ( -0.354 -2.027 0.445) 2.105 7.716 ( -0.771 2.643 1.555) 3.162 7.777 ( -2.209 1.636 -1.742) 3.255 7.898 ( 2.714 0.119 5.287) 5.944 8.136 ( 0.762 -7.556 -4.850) 9.011 8.504 ( -0.692 0.454 -0.561) 1.000 8.538 ( -5.063 0.847 -1.843) 5.454 8.607 ( 3.367 3.132 1.456) 4.823 8.675 ( -1.536 1.553 -2.215) 3.111 8.866 ( 2.349 -2.590 3.532) 4.970 9.012 ( -0.702 -1.010 0.099) 1.233 9.125 ( 2.105 -0.918 -0.139) 2.301 9.184 ( -0.953 -0.071 -0.114) 0.963 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 4.930 6.850 3.030) 8.967 0.551 ( 3.633 6.876 2.555) 8.186 0.684 ( 6.483 5.235 0.754) 8.367 0.734 ( 4.630 2.469 2.718) 5.910 0.841 ( 8.556 1.564 -4.909) 9.988 0.885 ( 3.282 0.888 2.344) 4.129 0.916 ( 0.583 -0.514 1.601) 1.779 0.967 ( 0.083 0.000 -1.004) 1.007 1.019 ( 1.137 -1.144 -0.993) 1.894 1.079 ( 2.254 0.422 -5.244) 5.723 1.152 ( -1.691 -0.347 2.391) 2.949 1.230 ( 1.095 -1.189 0.049) 1.617 1.272 ( 2.063 -1.051 -0.235) 2.327 1.284 ( 1.523 -0.099 -1.171) 1.923 1.320 ( 2.616 1.617 -0.229) 3.084 1.369 ( -1.369 -0.040 -1.076) 1.742 1.408 ( -0.148 0.604 -1.501) 1.625 1.474 ( 1.003 -1.198 0.051) 1.563 1.571 ( 0.484 0.045 0.817) 0.951 1.590 ( 0.628 0.008 1.049) 1.222 1.679 ( -1.813 0.407 -0.451) 1.912 1.743 ( -2.515 -1.277 -0.177) 2.826 1.829 ( -1.282 -0.266 0.133) 1.316 1.854 ( 0.271 -0.326 0.576) 0.715 2.088 ( -0.238 -1.211 -0.834) 1.490 2.107 ( 0.529 -1.444 -0.388) 1.586 2.217 ( 0.174 0.157 1.040) 1.066 2.237 ( 1.059 -0.161 0.616) 1.235 2.325 ( 0.216 0.120 0.602) 0.651 2.354 ( 0.501 -0.660 -0.582) 1.013 2.532 ( -0.194 0.630 0.139) 0.674 2.584 ( 1.119 -0.611 -0.317) 1.313 2.634 ( -0.561 1.161 -1.306) 1.836 2.690 ( -0.195 1.182 0.413) 1.267 2.730 ( 0.622 -1.076 -0.222) 1.263 2.766 ( 0.276 -0.255 -0.903) 0.978 2.902 ( -1.788 0.730 0.356) 1.964 2.957 ( -1.294 -1.133 0.611) 1.825 3.067 ( -1.493 1.317 -0.848) 2.164 3.089 ( 0.909 0.116 1.326) 1.612 3.110 ( 2.013 0.021 0.115) 2.016 3.165 ( 1.055 -0.342 -0.393) 1.176 3.276 ( -1.210 0.113 -0.388) 1.276 3.301 ( 0.465 -0.450 0.240) 0.690 4.398 ( 0.124 4.604 4.512) 6.448 4.753 ( -2.140 4.651 -8.645) 10.047 4.817 ( -4.459 -7.597 7.134) 11.335 5.025 ( -8.412 -4.188 1.420) 9.504 5.890 ( 0.074 -0.201 0.366) 0.424 5.892 ( 0.196 -0.290 -0.611) 0.704 5.922 ( 0.674 0.031 -0.228) 0.713 5.945 ( 0.608 -0.775 0.319) 1.035 6.167 ( 3.390 -0.285 0.566) 3.449 6.175 ( 3.504 -0.489 -0.326) 3.553 6.285 ( 9.469 -1.829 -1.341) 9.737 6.315 ( 11.699 -2.536 0.166) 11.972 6.642 ( 1.257 -0.357 0.039) 1.307 6.656 ( 2.326 -0.674 0.096) 2.423 7.182 ( 5.344 -0.235 -0.573) 5.380 7.274 ( 8.751 -5.778 2.555) 10.793 7.713 ( 0.460 1.840 0.368) 1.932 7.764 ( 0.996 1.743 0.639) 2.107 7.957 ( 2.803 0.292 4.419) 5.241 8.126 ( -1.388 -6.510 -7.127) 9.752 8.393 ( -9.325 0.865 -2.435) 9.676 8.439 ( -4.677 0.034 5.470) 7.197 8.619 ( -0.936 2.075 -2.583) 3.443 8.709 ( 3.196 0.706 0.087) 3.274 8.889 ( -1.493 0.657 3.646) 3.994 8.941 ( -3.706 0.287 -0.838) 3.811 9.071 ( -6.717 -0.133 -2.140) 7.051 9.159 ( -2.688 -2.587 0.651) 3.787 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 5.458 4.878 3.497) 8.113 0.657 ( 7.584 4.984 -1.070) 9.138 0.738 ( 1.900 4.095 2.908) 5.370 0.846 ( 3.158 -1.027 -0.867) 3.432 0.917 ( -0.278 1.072 -2.118) 2.390 0.945 ( 0.717 -1.793 2.122) 2.869 0.978 ( 3.210 -0.847 -0.123) 3.322 1.023 ( 5.499 1.310 -0.597) 5.685 1.060 ( 1.566 0.371 1.293) 2.065 1.126 ( 3.258 1.000 -3.715) 5.041 1.154 ( 0.902 0.547 1.328) 1.696 1.217 ( -1.506 0.251 -1.204) 1.944 1.254 ( 0.682 1.586 0.173) 1.735 1.297 ( -1.071 -2.427 -0.444) 2.690 1.316 ( -2.439 0.330 -1.352) 2.808 1.394 ( 0.167 -1.473 0.172) 1.492 1.452 ( 4.571 1.004 0.611) 4.720 1.536 ( 4.483 0.338 0.862) 4.577 1.586 ( 2.437 -0.401 -0.745) 2.579 1.624 ( -0.230 0.289 -0.966) 1.035 1.650 ( 1.094 -0.020 0.711) 1.305 1.694 ( -1.419 -1.339 -0.340) 1.980 1.820 ( 0.919 0.197 -0.595) 1.112 1.865 ( 0.328 -0.118 0.591) 0.686 2.064 ( -2.084 0.111 -0.902) 2.274 2.104 ( -0.673 -0.751 -0.882) 1.340 2.233 ( 1.809 0.017 0.472) 1.869 2.274 ( 2.171 -0.683 1.490) 2.720 2.330 ( 0.231 0.107 0.587) 0.640 2.364 ( 0.306 -1.235 -0.075) 1.274 2.520 ( -0.901 1.213 -0.320) 1.544 2.579 ( -1.681 0.277 0.564) 1.795 2.639 ( 0.461 0.805 -0.223) 0.954 2.686 ( 0.420 -0.397 0.107) 0.588 2.750 ( 1.169 -0.315 -0.931) 1.527 2.774 ( 0.539 -0.600 -0.977) 1.267 2.876 ( -0.574 0.718 -0.619) 1.109 2.938 ( -0.869 -1.004 0.505) 1.421 3.031 ( -1.655 1.476 -0.680) 2.319 3.114 ( 1.081 -0.486 1.526) 1.932 3.145 ( 0.259 0.142 -0.735) 0.792 3.165 ( 0.275 0.315 0.453) 0.616 3.256 ( -0.681 0.020 0.167) 0.702 3.302 ( -0.388 -0.974 -0.324) 1.098 4.416 ( 1.235 4.209 3.170) 5.412 4.691 ( -2.774 1.966 -5.582) 6.536 4.766 ( -1.640 -3.655 4.230) 5.826 4.887 ( -5.332 -2.256 0.678) 5.829 5.890 ( 0.001 -0.155 0.106) 0.188 5.898 ( 0.240 -0.233 -0.153) 0.368 5.926 ( -0.006 0.111 -0.037) 0.117 5.940 ( -0.696 -0.412 0.029) 0.810 6.257 ( 4.631 -0.396 -0.643) 4.692 6.260 ( 5.739 -0.452 1.364) 5.916 6.404 ( 2.565 -0.297 -2.522) 3.610 6.482 ( 4.333 -1.460 0.503) 4.600 6.697 ( 3.504 -0.515 0.914) 3.658 6.748 ( 6.279 -2.434 0.710) 6.772 7.308 ( 7.248 -0.566 -2.529) 7.697 7.422 ( 4.394 -5.486 2.945) 7.621 7.745 ( 1.539 1.651 1.197) 2.555 7.804 ( 3.295 -1.419 0.078) 3.589 8.011 ( 2.219 -0.224 2.268) 3.181 8.075 ( -2.164 -4.829 -6.267) 8.202 8.219 ( -6.840 1.604 -0.568) 7.049 8.359 ( -4.329 -0.489 6.038) 7.446 8.599 ( -0.837 1.825 -1.218) 2.348 8.742 ( -0.444 -2.686 -2.624) 3.781 8.826 ( -2.690 3.114 0.378) 4.133 8.902 ( -2.423 1.532 3.996) 4.918 8.931 ( -5.422 -1.549 -3.992) 6.909 9.072 ( -5.483 -2.151 0.130) 5.891 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 6.199 3.093 2.323) 7.307 0.761 ( 0.517 2.486 1.190) 2.805 0.811 ( 2.522 2.176 2.360) 4.083 0.846 ( 0.495 1.323 -1.580) 2.120 0.888 ( -1.106 -0.189 -0.751) 1.350 0.966 ( -0.165 -0.544 0.039) 0.569 1.015 ( 2.108 0.524 -1.247) 2.505 1.055 ( -2.010 0.401 -0.523) 2.116 1.075 ( 0.654 1.860 1.243) 2.331 1.142 ( -0.314 1.136 -0.093) 1.183 1.179 ( 1.220 0.772 -0.612) 1.568 1.201 ( 1.314 -1.253 -0.691) 1.943 1.257 ( -2.605 -1.136 -0.752) 2.940 1.274 ( -1.409 -2.036 -0.118) 2.479 1.322 ( 2.493 0.535 0.208) 2.558 1.376 ( -0.629 -2.666 -0.335) 2.760 1.541 ( 3.536 1.324 0.371) 3.794 1.580 ( -0.810 0.675 -0.140) 1.064 1.606 ( 1.327 0.784 -0.500) 1.621 1.625 ( 0.504 -0.521 1.920) 2.052 1.670 ( 0.085 0.735 -0.212) 0.770 1.735 ( 2.985 -1.291 -1.870) 3.751 1.839 ( -0.422 0.373 0.264) 0.622 1.873 ( 1.230 -0.252 -1.987) 2.351 2.027 ( -0.895 0.981 0.185) 1.341 2.085 ( -0.994 -0.432 -1.327) 1.713 2.279 ( 2.323 0.076 0.441) 2.365 2.305 ( 0.201 -0.532 1.083) 1.223 2.337 ( 0.249 0.083 0.764) 0.808 2.360 ( -0.345 -1.211 1.074) 1.655 2.515 ( 0.499 0.513 -0.272) 0.766 2.532 ( -2.098 0.707 0.575) 2.287 2.650 ( 0.731 0.742 0.168) 1.055 2.695 ( -0.015 -0.727 -0.779) 1.066 2.765 ( 0.440 -0.239 -0.728) 0.884 2.778 ( -0.142 -0.619 -1.070) 1.245 2.881 ( 0.615 1.078 -0.378) 1.297 2.925 ( -0.004 -0.205 -0.672) 0.703 3.017 ( 0.272 0.611 0.287) 0.728 3.079 ( -3.076 0.124 -0.036) 3.079 3.172 ( 2.438 0.294 0.548) 2.516 3.187 ( 0.739 0.148 0.410) 0.858 3.237 ( -1.536 -0.469 0.999) 1.892 3.290 ( -0.510 -1.195 -0.988) 1.633 4.445 ( 1.253 3.240 2.899) 4.525 4.642 ( -1.785 1.317 -4.454) 4.976 4.752 ( -0.265 -2.939 2.946) 4.170 4.822 ( -1.593 -1.688 0.274) 2.337 5.892 ( 0.128 -0.072 0.176) 0.229 5.898 ( -0.113 -0.200 -0.096) 0.249 5.925 ( -0.001 0.101 0.009) 0.102 5.929 ( -0.344 -0.052 -0.041) 0.350 6.330 ( 2.367 -0.188 -0.531) 2.433 6.376 ( 4.933 -1.765 2.838) 5.958 6.410 ( -0.993 1.537 -2.151) 2.824 6.523 ( 0.733 -0.787 -1.149) 1.573 6.753 ( 2.138 0.364 1.179) 2.468 6.822 ( 0.540 -1.678 0.444) 1.818 7.416 ( 2.631 -1.739 -0.914) 3.283 7.459 ( 0.541 -2.536 0.670) 2.678 7.756 ( 0.554 2.454 2.176) 3.326 7.847 ( -0.319 -2.921 -2.043) 3.579 8.053 ( 3.315 -4.989 -1.200) 6.109 8.077 ( 1.682 0.561 3.260) 3.711 8.154 ( -0.239 -0.788 -0.193) 0.846 8.264 ( -6.113 0.679 0.427) 6.166 8.587 ( -0.201 1.454 -0.706) 1.629 8.713 ( -0.993 -3.277 -4.221) 5.435 8.772 ( -2.580 2.746 1.102) 3.925 8.876 ( -0.424 1.478 3.939) 4.228 8.882 ( -0.121 -2.225 -2.275) 3.184 8.980 ( -3.106 -1.913 -0.612) 3.699 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -7.704 3.385 0.926) 8.466 0.767 ( -2.608 1.288 2.953) 4.145 0.833 ( -3.268 1.995 -1.961) 4.302 0.851 ( 4.419 1.220 2.340) 5.147 0.909 ( -1.760 1.612 1.059) 2.612 0.971 ( 2.416 1.758 -0.736) 3.077 1.002 ( -1.886 1.104 -2.730) 3.497 1.053 ( 0.366 1.810 -0.189) 1.857 1.104 ( 2.102 -0.259 0.887) 2.296 1.126 ( -1.679 -0.622 0.328) 1.821 1.169 ( -1.147 -1.079 0.186) 1.586 1.231 ( 0.842 -1.346 -1.910) 2.483 1.255 ( 0.916 -2.527 -0.634) 2.762 1.265 ( 2.366 -0.363 0.179) 2.400 1.335 ( -0.860 0.064 0.820) 1.190 1.355 ( -1.828 -0.989 -0.815) 2.232 1.553 ( -1.246 1.249 -0.511) 1.837 1.583 ( -1.326 0.514 1.137) 1.821 1.605 ( -2.755 1.723 0.099) 3.251 1.634 ( 1.920 0.078 0.537) 1.995 1.655 ( -0.527 -0.687 0.477) 0.989 1.736 ( -2.124 -0.688 -2.662) 3.474 1.812 ( -1.830 0.770 0.291) 2.007 1.883 ( -0.413 -1.032 -1.520) 1.883 2.043 ( 1.974 0.502 0.580) 2.118 2.072 ( 0.000 -0.122 -1.846) 1.850 2.271 ( -3.375 -0.463 0.724) 3.482 2.290 ( -1.148 -0.679 1.026) 1.683 2.352 ( 1.053 -0.554 0.705) 1.383 2.365 ( 0.269 -0.290 1.060) 1.131 2.505 ( 0.709 1.771 -0.631) 2.009 2.555 ( 1.865 -0.175 1.006) 2.126 2.662 ( 0.330 -0.076 0.558) 0.653 2.678 ( -1.321 -0.409 -1.225) 1.847 2.766 ( -0.502 -0.283 -1.108) 1.249 2.769 ( -0.431 -0.184 -0.840) 0.962 2.877 ( -0.228 1.576 -0.232) 1.610 2.945 ( 0.770 -0.450 -0.582) 1.065 3.021 ( 0.391 0.880 -0.543) 1.106 3.062 ( 1.693 0.321 0.708) 1.863 3.176 ( -1.326 -0.027 0.007) 1.326 3.200 ( -2.135 -1.005 1.078) 2.594 3.227 ( 2.427 0.234 0.845) 2.580 3.284 ( -0.129 -1.010 -1.058) 1.468 4.466 ( 0.376 2.515 3.772) 4.549 4.615 ( -0.295 2.218 -4.927) 5.411 4.762 ( 0.903 -3.086 2.839) 4.289 4.820 ( 1.337 -1.725 -0.021) 2.182 5.887 ( -0.404 0.062 0.091) 0.419 5.904 ( 0.511 -0.351 -0.011) 0.620 5.926 ( 0.028 0.098 0.024) 0.105 5.928 ( 0.230 -0.043 -0.056) 0.241 6.322 ( -3.318 0.470 0.188) 3.356 6.368 ( -2.555 0.388 0.157) 2.589 6.425 ( -1.110 -0.842 0.169) 1.404 6.531 ( 0.789 -2.110 -1.620) 2.775 6.782 ( -1.128 -0.213 1.476) 1.870 6.801 ( -0.495 -0.682 0.362) 0.917 7.381 ( -5.065 -0.816 -0.795) 5.192 7.479 ( 0.041 -3.120 0.386) 3.144 7.770 ( 0.230 0.673 2.284) 2.392 7.820 ( -1.148 -1.493 -1.472) 2.390 8.059 ( -4.882 -0.383 1.399) 5.093 8.117 ( -1.326 1.193 -2.451) 3.032 8.178 ( 4.280 -2.481 1.247) 5.102 8.214 ( 5.037 -3.217 1.704) 6.215 8.595 ( 1.361 1.213 -0.649) 1.935 8.693 ( -0.700 1.070 -5.310) 5.462 8.762 ( 0.540 -1.579 2.968) 3.405 8.845 ( -1.345 -0.196 -0.353) 1.405 8.933 ( 4.247 -0.734 1.558) 4.583 8.973 ( 2.224 -0.714 -1.207) 2.629 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( -6.962 5.964 0.622) 9.188 0.693 ( -4.866 4.212 4.130) 7.647 0.761 ( -3.641 3.857 -0.798) 5.363 0.837 ( -3.522 0.220 1.728) 3.929 0.932 ( 1.100 0.636 0.273) 1.300 0.959 ( -1.374 0.976 -3.959) 4.302 0.991 ( -0.680 1.191 0.365) 1.419 1.018 ( -7.731 1.140 1.238) 7.912 1.032 ( -4.640 1.456 0.510) 4.890 1.148 ( 0.336 -2.997 -3.231) 4.420 1.163 ( 0.619 -0.787 2.389) 2.590 1.214 ( -2.037 -1.519 -1.561) 2.982 1.257 ( -0.712 -0.055 0.639) 0.958 1.295 ( -1.501 0.141 -2.050) 2.544 1.322 ( 4.181 -0.193 -0.979) 4.298 1.386 ( 4.156 -0.498 1.024) 4.309 1.486 ( -6.398 1.394 -0.343) 6.557 1.519 ( -3.460 0.366 1.199) 3.680 1.556 ( -2.443 0.648 -0.527) 2.582 1.618 ( -3.700 -0.335 -0.349) 3.731 1.686 ( 3.083 -1.156 0.478) 3.327 1.714 ( 1.399 0.097 -1.206) 1.850 1.785 ( -0.692 0.806 0.247) 1.091 1.869 ( -0.450 -1.361 0.162) 1.442 2.078 ( 0.776 -0.231 -1.758) 1.936 2.081 ( 1.433 -0.287 -0.064) 1.463 2.203 ( -2.964 -0.087 0.753) 3.059 2.268 ( -1.030 -1.316 1.294) 2.113 2.346 ( -1.066 -0.092 0.697) 1.277 2.372 ( -0.141 -0.703 -0.161) 0.734 2.539 ( 1.894 1.470 -1.111) 2.643 2.572 ( -0.190 0.030 1.653) 1.664 2.647 ( -1.000 -0.193 -1.404) 1.735 2.682 ( 1.249 -0.465 1.451) 1.970 2.746 ( -1.020 0.431 -2.161) 2.428 2.755 ( -1.067 -0.311 -0.275) 1.145 2.892 ( 1.696 1.349 -0.716) 2.282 2.940 ( -0.471 0.196 0.939) 1.068 3.044 ( 1.132 0.885 -1.513) 2.087 3.109 ( 2.371 -0.189 1.767) 2.963 3.143 ( -1.760 -0.108 -0.170) 1.771 3.164 ( -1.523 -0.992 0.308) 1.843 3.269 ( 1.815 -0.198 0.738) 1.969 3.276 ( -0.684 -0.400 -0.973) 1.255 4.462 ( -1.202 2.550 5.095) 5.823 4.634 ( 3.170 3.700 -6.637) 8.233 4.790 ( 1.554 -3.609 4.218) 5.765 4.880 ( 5.052 -2.402 -0.198) 5.597 5.882 ( -0.191 0.164 0.030) 0.253 5.909 ( -0.053 -0.358 -0.095) 0.375 5.930 ( 0.291 -0.206 -0.105) 0.372 5.934 ( 0.491 -0.305 0.115) 0.589 6.236 ( -4.715 0.613 0.233) 4.761 6.286 ( -5.582 -0.719 0.635) 5.664 6.368 ( -4.292 0.221 -1.644) 4.601 6.535 ( -1.149 -4.296 -0.825) 4.523 6.723 ( -3.655 -0.292 0.095) 3.668 6.762 ( -5.930 -4.005 2.059) 7.446 7.242 ( -8.155 0.387 -2.228) 8.462 7.414 ( -7.020 -3.813 2.332) 8.322 7.773 ( -0.153 1.910 0.689) 2.037 7.814 ( 0.404 -0.491 2.220) 2.309 7.931 ( -6.112 -0.134 -1.786) 6.369 8.098 ( 0.238 -3.179 -4.238) 5.304 8.292 ( 6.493 -0.131 0.765) 6.539 8.372 ( 9.359 -1.404 5.464) 10.928 8.645 ( 2.218 1.417 -1.074) 2.843 8.683 ( 1.756 1.031 -3.951) 4.445 8.762 ( -0.620 -2.816 2.581) 3.870 8.844 ( 1.243 0.016 -0.830) 1.495 9.035 ( 3.784 0.676 -2.268) 4.463 9.044 ( 6.344 -0.251 1.931) 6.636 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( -2.866 8.155 1.214) 8.729 0.592 ( -7.133 6.514 5.114) 10.930 0.680 ( -5.197 5.251 0.753) 7.426 0.768 ( -4.770 0.354 -2.477) 5.386 0.784 ( -6.816 5.508 3.391) 9.396 0.912 ( -5.178 0.433 0.015) 5.196 0.945 ( -1.416 0.990 1.108) 2.053 0.959 ( -0.792 0.978 -2.023) 2.382 0.998 ( 1.029 -0.111 -2.456) 2.665 1.108 ( -2.259 -3.702 -3.343) 5.476 1.163 ( -1.562 -0.553 1.539) 2.261 1.212 ( 1.646 -2.023 -0.078) 2.609 1.254 ( -1.070 -0.293 -0.551) 1.238 1.281 ( -1.372 -0.701 0.435) 1.602 1.355 ( -2.632 1.416 -1.538) 3.361 1.403 ( 1.255 0.267 -1.331) 1.849 1.410 ( -3.103 -0.609 -1.281) 3.411 1.459 ( 0.655 0.329 -0.308) 0.796 1.534 ( -0.339 0.739 1.550) 1.750 1.592 ( 0.933 -0.093 0.962) 1.343 1.731 ( 0.549 -0.189 -1.473) 1.584 1.743 ( 1.288 -0.871 0.452) 1.619 1.789 ( 1.336 0.419 0.938) 1.685 1.875 ( 0.798 -1.247 0.309) 1.513 2.083 ( 0.031 -1.261 -1.112) 1.681 2.097 ( 0.116 -1.141 -0.152) 1.157 2.174 ( 0.008 0.748 0.833) 1.119 2.256 ( -0.422 -1.031 0.959) 1.470 2.327 ( -0.791 0.148 0.449) 0.921 2.361 ( -0.681 -0.583 -0.483) 1.019 2.545 ( -0.621 -0.098 0.263) 0.681 2.567 ( -0.656 -0.373 -0.381) 0.845 2.648 ( 1.184 0.820 -1.425) 2.026 2.694 ( -0.815 0.988 -0.131) 1.287 2.734 ( -0.456 -0.587 0.584) 0.945 2.739 ( 0.557 0.057 -1.047) 1.188 2.927 ( 1.239 1.134 0.876) 1.894 2.947 ( 1.438 0.497 -0.171) 1.531 3.055 ( 0.396 0.708 -0.081) 0.815 3.107 ( -1.660 -0.023 0.763) 1.827 3.133 ( -0.995 -1.149 0.811) 1.723 3.146 ( -0.092 -0.725 -1.088) 1.311 3.263 ( -0.065 0.581 -0.394) 0.705 3.297 ( 0.854 -0.343 0.301) 0.968 4.435 ( -2.000 3.262 6.026) 7.138 4.719 ( 5.514 5.219 -10.947) 13.322 4.834 ( 2.509 -6.855 8.772) 11.412 5.016 ( 8.507 -4.321 0.503) 9.555 5.880 ( 0.139 0.083 -0.042) 0.167 5.904 ( -0.376 -0.286 -0.160) 0.498 5.927 ( -0.735 -0.351 -0.467) 0.939 5.942 ( -0.238 -0.820 0.517) 0.998 6.161 ( -2.779 0.103 0.212) 2.789 6.182 ( -4.568 -0.599 0.042) 4.607 6.254 ( -6.574 -0.551 -0.579) 6.623 6.381 ( -16.362 -7.640 -0.905) 18.080 6.645 ( -2.271 -0.305 0.031) 2.292 6.664 ( -2.090 -0.426 0.148) 2.138 7.113 ( -4.013 1.436 0.392) 4.281 7.261 ( -7.245 -2.692 1.964) 7.975 7.746 ( -2.203 3.074 -0.074) 3.782 7.837 ( -2.822 0.086 1.038) 3.008 7.845 ( 1.300 0.267 2.364) 2.712 8.115 ( 1.557 -6.732 -4.015) 7.992 8.428 ( 6.975 2.086 -1.876) 7.518 8.527 ( 5.294 0.730 4.571) 7.032 8.618 ( -2.951 2.597 -2.619) 4.724 8.717 ( -1.249 -0.559 -2.834) 3.147 8.808 ( 3.780 -3.840 3.033) 6.183 8.911 ( 7.097 -0.946 2.493) 7.581 9.092 ( 2.023 1.689 -3.439) 4.333 9.155 ( 4.047 -0.151 1.457) 4.304 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 2.638 5.105 -0.838) 5.808 0.599 ( -0.233 3.956 -0.017) 3.963 0.712 ( -0.582 1.453 -0.700) 1.714 0.758 ( -1.335 0.635 4.512) 4.748 0.796 ( -0.977 2.971 -2.885) 4.255 0.889 ( 0.244 2.841 1.015) 3.027 0.912 ( -1.972 -2.228 4.140) 5.098 0.956 ( -1.100 -2.002 -2.582) 3.447 0.999 ( 1.589 1.563 -1.232) 2.547 1.039 ( 1.879 -1.419 -0.403) 2.389 1.152 ( 0.778 -0.035 2.133) 2.271 1.177 ( 0.035 -1.999 1.744) 2.653 1.200 ( -0.599 0.046 -0.361) 0.701 1.223 ( -0.882 -1.669 -1.305) 2.294 1.357 ( 0.477 2.210 -3.068) 3.811 1.396 ( 1.256 -1.101 -3.469) 3.850 1.443 ( -1.539 0.884 -1.062) 2.068 1.456 ( -0.483 -0.028 -0.701) 0.852 1.561 ( 1.083 0.658 2.579) 2.873 1.578 ( -0.470 -1.084 1.945) 2.276 1.726 ( -1.087 0.280 0.074) 1.125 1.735 ( 0.177 -0.601 -0.352) 0.719 1.834 ( 0.537 0.750 -0.180) 0.940 1.856 ( -0.544 -1.153 -1.093) 1.679 2.060 ( 0.290 -0.331 0.305) 0.535 2.069 ( 0.184 -0.996 0.143) 1.023 2.211 ( 0.681 0.979 1.105) 1.626 2.231 ( -0.135 -0.909 0.398) 1.002 2.329 ( 0.016 0.591 -0.247) 0.640 2.342 ( -0.105 -0.572 -0.630) 0.858 2.537 ( 0.109 0.259 -0.332) 0.435 2.546 ( 0.446 -0.616 -0.758) 1.074 2.682 ( -0.461 1.236 -0.357) 1.366 2.705 ( 0.119 -0.562 -0.277) 0.638 2.718 ( -0.230 1.090 -0.011) 1.114 2.744 ( 0.707 -1.055 -0.394) 1.330 2.948 ( -1.111 0.707 1.173) 1.764 2.962 ( -0.716 -0.688 0.874) 1.323 3.082 ( 0.230 0.686 0.654) 0.975 3.095 ( -0.455 -0.492 0.056) 0.673 3.101 ( 0.422 1.134 -0.231) 1.232 3.126 ( 0.803 -1.067 -0.997) 1.666 3.286 ( 0.316 0.511 0.111) 0.611 3.295 ( -0.084 -0.401 -0.230) 0.470 4.517 ( -0.841 6.650 6.815) 9.559 4.677 ( -0.717 -8.769 7.612) 11.633 4.889 ( 0.778 5.331 -8.563) 10.117 5.001 ( 0.494 -5.773 -4.179) 7.143 5.893 ( 0.359 0.048 0.015) 0.363 5.894 ( -0.732 -0.091 -0.022) 0.738 5.901 ( -0.393 -0.077 0.000) 0.401 5.904 ( 0.695 -0.351 -0.105) 0.786 6.131 ( 0.244 0.279 0.040) 0.373 6.132 ( -0.130 0.146 0.022) 0.197 6.155 ( -0.458 -0.121 0.275) 0.548 6.163 ( 0.419 -0.808 -0.061) 0.913 6.636 ( -0.070 0.083 -0.096) 0.145 6.639 ( -0.321 -0.106 -0.136) 0.364 7.114 ( 0.974 1.157 -0.132) 1.518 7.143 ( -0.108 -1.661 -0.770) 1.834 7.778 ( -1.269 2.859 0.148) 3.131 7.805 ( -1.874 0.495 -1.575) 2.498 7.909 ( 2.673 1.524 3.633) 4.761 7.989 ( 1.270 -6.086 0.197) 6.221 8.518 ( -1.729 0.730 -1.880) 2.656 8.532 ( -3.199 -0.680 -2.215) 3.950 8.666 ( -0.580 1.826 -1.058) 2.189 8.689 ( -0.585 -0.363 -2.357) 2.455 8.867 ( 4.479 3.014 7.224) 9.018 8.954 ( 3.501 -4.337 5.690) 7.965 9.132 ( -1.532 1.396 -3.246) 3.851 9.165 ( -1.568 -1.506 -1.971) 2.934 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 3.294 5.767 0.347) 6.650 0.682 ( 5.345 4.452 -2.560) 7.412 0.742 ( 2.065 0.450 4.581) 5.045 0.779 ( 4.044 0.992 -2.024) 4.630 0.854 ( 6.074 -0.186 2.132) 6.440 0.877 ( -0.853 -2.472 2.292) 3.477 0.919 ( 3.020 1.844 0.183) 3.543 0.947 ( 1.218 -0.782 -1.541) 2.115 1.041 ( 2.487 1.923 -0.343) 3.163 1.074 ( 2.050 -1.029 -2.446) 3.354 1.150 ( -0.415 0.530 2.355) 2.449 1.184 ( 0.116 -2.591 1.241) 2.875 1.259 ( 4.378 0.087 -1.621) 4.669 1.271 ( 3.753 -0.852 -2.196) 4.431 1.376 ( 1.974 2.932 -0.217) 3.542 1.383 ( -2.308 1.271 -1.381) 2.975 1.406 ( -0.674 -0.782 -1.791) 2.067 1.436 ( -0.177 -2.488 0.263) 2.508 1.579 ( 0.918 0.621 1.094) 1.558 1.589 ( 0.445 -0.232 1.417) 1.503 1.693 ( -1.738 0.954 -0.111) 1.986 1.716 ( -2.345 -1.245 -0.160) 2.660 1.829 ( -0.640 0.345 -0.173) 0.747 1.842 ( -0.046 -0.794 -0.472) 0.925 2.072 ( 0.576 -0.173 -0.379) 0.711 2.081 ( 0.762 -0.951 -0.167) 1.230 2.223 ( 0.317 0.360 1.132) 1.230 2.231 ( 0.495 -0.384 0.791) 1.009 2.331 ( 0.128 0.420 -0.214) 0.489 2.342 ( 0.127 -0.583 -0.651) 0.883 2.547 ( 0.686 0.867 -0.103) 1.110 2.567 ( 1.290 -0.978 -0.345) 1.655 2.663 ( -1.019 1.512 -0.597) 1.919 2.692 ( -1.182 -1.155 0.558) 1.744 2.730 ( 1.044 1.199 -0.686) 1.732 2.754 ( 0.412 -0.943 -0.667) 1.226 2.917 ( -1.742 0.740 0.311) 1.918 2.934 ( -1.566 -1.015 0.446) 1.919 3.086 ( -0.603 0.406 -0.052) 0.729 3.090 ( 0.410 -0.045 0.770) 0.873 3.125 ( 1.713 1.331 -0.153) 2.175 3.151 ( 1.345 -1.005 -0.310) 1.708 3.281 ( -0.898 0.347 -0.199) 0.983 3.290 ( -0.317 -0.537 0.004) 0.623 4.512 ( -0.292 6.417 5.535) 8.479 4.658 ( -1.622 -7.585 5.558) 9.543 4.848 ( -3.438 4.453 -6.178) 8.356 4.937 ( -5.354 -4.247 -2.843) 7.402 5.887 ( 0.055 -0.063 0.132) 0.156 5.888 ( 0.133 -0.145 -0.248) 0.316 5.924 ( 0.821 0.202 -0.127) 0.854 5.931 ( 0.809 -0.521 0.063) 0.964 6.164 ( 3.400 0.021 0.087) 3.402 6.167 ( 3.425 -0.240 -0.206) 3.440 6.265 ( 9.358 -0.228 -0.364) 9.368 6.275 ( 10.061 -1.229 0.229) 10.138 6.640 ( 0.962 0.109 0.081) 0.971 6.645 ( 1.351 -0.396 0.125) 1.413 7.182 ( 5.528 0.329 -0.962) 5.620 7.202 ( 5.976 -1.830 -0.377) 6.261 7.761 ( -0.352 2.399 0.696) 2.522 7.788 ( 0.098 0.122 0.407) 0.436 7.963 ( 2.386 0.644 1.804) 3.060 8.009 ( 0.606 -4.217 -1.977) 4.697 8.413 ( -7.750 1.100 -0.662) 7.856 8.433 ( -6.031 -0.685 1.780) 6.325 8.654 ( -0.651 1.646 -1.004) 2.035 8.692 ( 0.414 -1.846 -0.891) 2.091 8.929 ( 0.873 2.574 5.697) 6.312 8.958 ( -3.184 0.367 0.532) 3.249 9.063 ( -5.538 -0.003 -2.495) 6.074 9.096 ( -4.121 -2.931 -1.529) 5.284 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 3.708 4.571 1.784) 6.151 0.765 ( 4.597 3.555 -4.224) 7.184 0.784 ( 2.391 0.893 4.868) 5.497 0.855 ( 1.308 2.183 0.878) 2.692 0.878 ( 2.628 -4.346 0.294) 5.087 0.902 ( -0.770 -2.130 1.268) 2.596 0.997 ( 2.719 2.234 -0.886) 3.629 1.037 ( 4.160 -1.293 0.416) 4.376 1.086 ( 2.563 3.032 -1.063) 4.110 1.147 ( 4.883 -1.450 -2.707) 5.768 1.150 ( 0.294 0.948 1.144) 1.514 1.186 ( 0.004 -2.315 1.209) 2.612 1.282 ( -1.271 0.883 -2.065) 2.581 1.289 ( 0.508 0.976 -0.705) 1.306 1.321 ( -3.307 0.576 -1.631) 3.732 1.354 ( -3.013 -2.091 0.304) 3.680 1.485 ( 5.546 1.833 0.814) 5.898 1.521 ( 5.820 -1.581 0.518) 6.053 1.592 ( 1.625 1.043 -0.388) 1.969 1.617 ( 3.205 -1.117 0.238) 3.402 1.657 ( -2.080 0.792 0.515) 2.284 1.674 ( -1.262 -0.762 -0.105) 1.478 1.832 ( 1.121 0.917 -0.615) 1.574 1.853 ( 0.826 -0.961 -0.367) 1.319 2.070 ( -0.870 0.530 -0.692) 1.232 2.086 ( -0.386 -0.941 -0.687) 1.227 2.240 ( 1.775 0.632 1.048) 2.156 2.257 ( 1.940 -0.894 1.441) 2.576 2.333 ( 0.155 0.294 -0.074) 0.340 2.344 ( 0.066 -0.732 -0.253) 0.777 2.548 ( -0.826 1.433 0.020) 1.654 2.573 ( -1.045 -0.852 0.248) 1.371 2.655 ( 0.348 0.867 -0.551) 1.084 2.674 ( -0.310 -0.847 -0.096) 0.907 2.750 ( 1.005 0.428 -0.755) 1.327 2.762 ( 0.455 -0.583 -0.834) 1.114 2.894 ( -0.413 0.923 -0.601) 1.176 2.914 ( -0.438 -1.103 -0.308) 1.226 3.065 ( -1.444 1.631 0.621) 2.266 3.095 ( -0.410 -1.235 1.142) 1.731 3.157 ( 1.420 0.794 -0.478) 1.696 3.168 ( 0.778 -0.186 -0.013) 0.800 3.260 ( -1.057 0.523 -0.017) 1.179 3.279 ( -0.855 -1.142 -0.246) 1.447 4.516 ( 0.145 5.384 3.625) 6.492 4.633 ( -1.328 -5.640 2.257) 6.218 4.777 ( -2.879 2.907 -2.413) 4.750 4.836 ( -4.137 -2.704 -1.437) 5.147 5.889 ( 0.152 0.083 0.005) 0.174 5.893 ( 0.264 -0.249 0.063) 0.368 5.928 ( -0.087 0.156 -0.080) 0.196 5.933 ( -0.315 -0.298 -0.049) 0.436 6.251 ( 4.823 -0.144 -0.005) 4.825 6.252 ( 5.154 -0.213 0.465) 5.180 6.414 ( 4.591 1.097 -1.290) 4.893 6.445 ( 5.457 -1.862 -0.455) 5.783 6.694 ( 4.219 0.244 0.967) 4.336 6.709 ( 5.011 -1.281 0.631) 5.210 7.304 ( 6.359 0.344 -1.751) 6.605 7.334 ( 6.148 -2.817 0.290) 6.769 7.776 ( 1.687 1.427 1.199) 2.513 7.797 ( 0.360 -0.363 0.949) 1.078 7.995 ( 0.033 -0.767 -1.630) 1.802 8.004 ( 0.229 -1.899 -2.365) 3.042 8.270 ( -5.897 3.017 2.392) 7.043 8.328 ( -4.653 -2.353 4.734) 7.043 8.638 ( -0.848 2.012 -0.815) 2.331 8.685 ( -1.231 -2.560 -1.619) 3.269 8.877 ( -3.459 1.767 -2.563) 4.654 8.903 ( -4.333 -0.826 -2.306) 4.978 8.951 ( -3.828 2.580 2.361) 5.185 9.012 ( -4.640 -3.220 1.092) 5.752 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 3.545 2.243 1.967) 4.633 0.800 ( -0.305 0.968 1.670) 1.954 0.842 ( -2.194 0.973 0.710) 2.503 0.865 ( 0.701 -0.816 -0.619) 1.241 0.899 ( 4.489 2.269 0.501) 5.054 0.946 ( 2.986 -1.749 0.101) 3.462 1.033 ( 1.679 1.365 -1.204) 2.477 1.056 ( -0.398 -0.351 -0.642) 0.833 1.120 ( 0.345 2.117 1.871) 2.846 1.158 ( -0.652 -1.205 1.264) 1.864 1.172 ( 0.055 1.007 -1.486) 1.796 1.198 ( 0.340 -0.680 -1.483) 1.667 1.235 ( -2.071 -0.654 -1.295) 2.529 1.241 ( -4.417 -0.648 -0.887) 4.551 1.328 ( 1.884 -0.003 -0.149) 1.890 1.335 ( 0.802 -1.074 0.240) 1.362 1.558 ( 2.633 0.716 1.004) 2.908 1.576 ( 1.130 -0.921 0.668) 1.604 1.626 ( -1.115 1.437 -0.013) 1.819 1.638 ( 0.260 0.572 0.413) 0.752 1.680 ( 2.084 0.400 -0.501) 2.180 1.701 ( 3.400 -1.647 -1.446) 4.045 1.851 ( 0.106 0.704 -0.591) 0.925 1.865 ( 0.539 -0.577 -1.259) 1.486 2.049 ( -0.689 1.135 -0.247) 1.350 2.071 ( -0.728 -0.918 -0.821) 1.431 2.284 ( 1.740 0.337 0.935) 2.004 2.293 ( 0.783 -0.531 1.177) 1.510 2.337 ( 0.003 0.021 0.578) 0.579 2.342 ( 0.206 -0.551 0.814) 1.004 2.529 ( -0.355 0.725 -0.423) 0.911 2.539 ( -1.595 -0.080 -0.061) 1.598 2.664 ( 0.376 0.615 -0.348) 0.800 2.679 ( 0.217 -0.807 -0.736) 1.114 2.763 ( 0.312 0.038 -0.678) 0.747 2.767 ( 0.095 -0.377 -0.828) 0.915 2.901 ( 0.943 0.789 -0.859) 1.500 2.915 ( 0.489 -0.613 -0.930) 1.216 3.041 ( -0.788 1.537 1.183) 2.094 3.070 ( -1.722 -1.044 1.068) 2.280 3.182 ( 1.089 0.602 0.145) 1.253 3.190 ( 1.111 -0.042 -0.033) 1.113 3.236 ( -1.434 0.574 0.201) 1.558 3.261 ( -0.699 -1.547 -0.755) 1.858 4.523 ( 0.214 4.233 2.644) 4.995 4.612 ( -0.795 -3.994 0.345) 4.087 4.739 ( -0.871 1.680 -0.347) 1.924 4.783 ( -1.323 -2.120 -0.766) 2.614 5.892 ( 0.136 0.080 0.049) 0.165 5.895 ( -0.056 -0.144 0.037) 0.159 5.927 ( -0.033 0.030 -0.031) 0.055 5.927 ( -0.138 -0.054 -0.035) 0.152 6.331 ( 2.778 0.369 0.658) 2.879 6.346 ( 3.549 -1.086 1.820) 4.133 6.450 ( 0.113 2.202 -2.280) 3.172 6.494 ( 0.502 -1.897 -2.148) 2.909 6.765 ( 2.384 0.845 1.383) 2.882 6.789 ( 2.006 -1.455 0.924) 2.645 7.392 ( 2.236 -0.372 -0.582) 2.341 7.408 ( 1.570 -1.909 0.121) 2.475 7.788 ( -0.601 0.807 -0.202) 1.026 7.805 ( -0.106 -1.200 -1.345) 1.805 8.005 ( 2.937 0.184 1.510) 3.307 8.039 ( 3.361 -2.609 2.305) 4.839 8.194 ( -3.135 3.116 1.340) 4.618 8.249 ( -4.495 -1.956 0.520) 4.929 8.619 ( -0.746 1.405 -1.673) 2.309 8.651 ( -1.028 -2.105 -2.787) 3.641 8.826 ( -1.815 1.999 -0.687) 2.786 8.852 ( 0.118 -0.785 -1.312) 1.533 8.901 ( -1.815 1.014 2.421) 3.191 8.933 ( -2.731 -2.238 0.153) 3.534 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -4.950 2.729 0.965) 5.734 0.775 ( -2.719 -0.629 1.265) 3.064 0.868 ( 1.022 1.212 0.337) 1.620 0.875 ( 1.536 0.637 1.082) 1.984 0.951 ( -1.036 2.169 1.433) 2.799 0.985 ( 1.060 -0.703 1.107) 1.686 1.030 ( -1.656 1.878 -2.746) 3.717 1.067 ( 1.078 -0.904 -1.980) 2.429 1.106 ( -1.760 0.550 1.279) 2.244 1.120 ( -2.111 -0.257 2.218) 3.073 1.164 ( -0.917 0.600 -0.966) 1.461 1.194 ( -0.560 -2.120 -1.638) 2.737 1.223 ( 3.403 0.233 -1.328) 3.660 1.247 ( 2.739 -1.339 -0.445) 3.081 1.338 ( -0.764 0.115 0.070) 0.775 1.342 ( -0.635 -0.357 -0.046) 0.730 1.575 ( -1.336 0.922 1.000) 1.906 1.594 ( 0.208 -0.761 1.050) 1.314 1.607 ( -1.178 1.120 0.690) 1.766 1.636 ( -0.858 -1.185 -0.625) 1.591 1.675 ( -1.522 2.311 -0.718) 2.859 1.714 ( -1.457 -1.474 -1.488) 2.551 1.834 ( -1.413 1.271 -0.566) 1.983 1.860 ( -0.955 -1.222 -1.110) 1.907 2.054 ( 1.038 0.586 -0.126) 1.199 2.065 ( 0.318 -0.489 -1.030) 1.184 2.266 ( -2.977 0.120 0.999) 3.143 2.275 ( -2.137 -0.664 1.151) 2.516 2.349 ( 0.769 0.160 0.640) 1.013 2.356 ( 0.483 -0.464 0.740) 0.998 2.535 ( 1.424 1.104 -0.526) 1.877 2.550 ( 1.877 -0.387 0.179) 1.925 2.662 ( -0.554 0.125 -0.297) 0.641 2.668 ( -1.049 -0.488 -0.852) 1.436 2.763 ( -0.227 0.013 -0.714) 0.749 2.765 ( -0.222 -0.179 -0.793) 0.843 2.907 ( 0.082 1.266 -0.886) 1.547 2.930 ( 0.609 -0.958 -1.119) 1.594 3.045 ( 1.030 1.271 1.180) 2.017 3.064 ( 1.273 -0.387 1.296) 1.858 3.176 ( -1.464 0.121 -0.101) 1.473 3.183 ( -1.998 -0.581 0.228) 2.093 3.237 ( 1.522 0.813 0.085) 1.727 3.260 ( 0.518 -1.273 -0.685) 1.535 4.530 ( 0.202 3.681 2.931) 4.710 4.608 ( 0.391 -3.173 -0.014) 3.197 4.739 ( 0.848 1.378 -0.161) 1.626 4.781 ( 1.206 -2.097 -0.882) 2.575 5.891 ( -0.161 0.252 0.046) 0.302 5.897 ( 0.208 -0.312 0.044) 0.377 5.926 ( -0.004 0.009 -0.026) 0.027 5.927 ( 0.063 -0.047 -0.044) 0.090 6.336 ( -2.665 0.903 1.209) 3.063 6.358 ( -2.784 -1.084 1.682) 3.429 6.438 ( -0.962 1.777 -2.204) 2.990 6.483 ( -0.840 -2.416 -2.560) 3.619 6.781 ( -1.402 0.162 1.525) 2.078 6.788 ( -1.678 -0.495 0.729) 1.895 7.377 ( -3.512 0.666 -0.462) 3.605 7.414 ( -1.456 -2.808 -0.046) 3.163 7.777 ( -0.074 0.408 -0.097) 0.426 7.794 ( -0.049 -1.114 -0.947) 1.463 8.060 ( -2.272 1.032 2.407) 3.467 8.102 ( -2.100 -2.684 0.431) 3.435 8.162 ( 4.291 1.296 1.992) 4.905 8.185 ( 2.798 -0.808 0.471) 2.950 8.620 ( 1.058 1.289 -2.121) 2.698 8.657 ( 1.384 -2.411 -2.861) 3.989 8.796 ( -1.798 2.774 -0.087) 3.307 8.838 ( -1.023 -0.969 -0.133) 1.416 8.924 ( 4.139 0.334 0.976) 4.266 8.949 ( 3.843 -1.529 0.237) 4.143 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -4.378 5.266 0.321) 6.856 0.723 ( -2.725 -1.638 0.752) 3.268 0.847 ( -1.935 4.053 0.184) 4.495 0.878 ( -2.833 2.833 4.167) 5.781 0.930 ( -0.348 -0.710 0.059) 0.793 0.960 ( -1.825 -1.454 -0.105) 2.336 1.007 ( -0.890 1.330 -1.450) 2.159 1.050 ( -5.442 1.007 0.827) 5.596 1.057 ( -4.746 -0.178 0.422) 4.768 1.067 ( -2.224 -2.587 -2.406) 4.175 1.162 ( 0.306 0.247 0.694) 0.797 1.178 ( -1.255 -1.452 -0.744) 2.058 1.265 ( -0.397 0.612 -0.533) 0.904 1.282 ( 0.734 -0.977 -1.997) 2.341 1.335 ( 2.810 1.190 -0.834) 3.163 1.364 ( 3.635 -1.441 -0.277) 3.920 1.517 ( -7.154 1.288 -0.198) 7.272 1.528 ( -5.181 0.296 1.371) 5.367 1.570 ( -1.437 0.778 -0.284) 1.658 1.598 ( -1.607 -1.585 0.367) 2.287 1.684 ( 2.048 0.997 0.246) 2.291 1.707 ( 1.223 -0.888 -0.176) 1.521 1.810 ( -0.733 1.445 -0.518) 1.701 1.840 ( -0.575 -1.447 -0.452) 1.622 2.073 ( 0.272 -0.173 -1.053) 1.101 2.074 ( 0.627 -0.297 -0.386) 0.794 2.212 ( -2.035 0.933 1.017) 2.459 2.238 ( -1.361 -1.456 1.235) 2.344 2.348 ( -0.650 0.310 0.110) 0.728 2.358 ( -0.328 -0.615 -0.115) 0.706 2.562 ( 0.281 0.791 -0.150) 0.853 2.572 ( -0.093 -0.163 0.533) 0.565 2.649 ( 0.140 0.522 -0.908) 1.057 2.666 ( 1.211 -0.936 0.198) 1.544 2.752 ( -0.774 0.103 -0.594) 0.982 2.754 ( -0.851 0.085 -0.980) 1.300 2.918 ( 1.212 1.130 -0.895) 1.884 2.936 ( 0.485 -0.570 -0.249) 0.788 3.071 ( 0.957 1.577 0.562) 1.929 3.099 ( 1.533 -0.945 1.920) 2.632 3.141 ( -1.789 0.076 -0.599) 1.888 3.148 ( -1.388 -0.564 -0.437) 1.561 3.266 ( 1.325 -0.075 0.217) 1.344 3.268 ( 0.357 -0.275 -0.462) 0.645 4.533 ( -0.309 4.277 4.295) 6.069 4.628 ( 1.605 -4.232 1.426) 4.745 4.773 ( 2.786 2.429 -1.882) 4.147 4.830 ( 4.087 -2.607 -1.817) 5.176 5.888 ( -0.147 0.460 0.031) 0.484 5.899 ( -0.045 -0.563 0.058) 0.568 5.928 ( 0.074 -0.042 -0.105) 0.135 5.929 ( 0.167 -0.184 -0.045) 0.253 6.252 ( -5.131 0.851 0.220) 5.206 6.270 ( -5.519 -0.836 0.367) 5.594 6.388 ( -4.692 1.722 -1.073) 5.112 6.444 ( -4.281 -3.825 -0.735) 5.788 6.717 ( -4.282 -0.214 0.662) 4.339 6.719 ( -5.284 -0.689 0.922) 5.408 7.270 ( -6.678 2.266 -1.291) 7.170 7.333 ( -6.459 -3.738 -0.178) 7.465 7.796 ( 1.799 0.801 1.257) 2.337 7.810 ( 1.224 -0.324 1.335) 1.840 7.956 ( -5.696 2.128 -1.861) 6.359 8.017 ( -3.935 -3.838 -2.614) 6.087 8.314 ( 9.058 1.648 2.986) 9.679 8.346 ( 10.204 -1.343 4.851) 11.378 8.654 ( 2.593 0.282 -1.430) 2.975 8.677 ( 0.882 -1.799 -1.992) 2.825 8.768 ( -0.916 3.268 -0.872) 3.505 8.830 ( 0.191 -2.001 -1.196) 2.339 9.034 ( 6.096 0.228 0.769) 6.149 9.044 ( 5.404 -0.366 0.153) 5.418 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -2.148 6.299 -0.343) 6.664 0.664 ( -3.907 -0.891 -0.375) 4.025 0.790 ( -6.139 3.273 1.118) 7.046 0.805 ( -3.275 5.988 3.098) 7.495 0.881 ( -6.529 -2.407 -1.477) 7.114 0.906 ( -3.871 4.673 1.432) 6.235 0.937 ( -1.137 -2.738 2.881) 4.134 0.978 ( -0.856 -2.309 -2.654) 3.620 0.987 ( -0.480 1.639 -1.330) 2.165 1.029 ( -1.228 -2.759 -1.095) 3.213 1.154 ( -1.001 -0.048 1.540) 1.838 1.171 ( 0.289 -1.634 0.914) 1.894 1.258 ( -2.110 0.587 -1.607) 2.717 1.270 ( -2.204 -0.489 -0.858) 2.415 1.376 ( -2.764 0.608 -1.118) 3.043 1.389 ( -0.466 -0.833 -1.544) 1.816 1.422 ( 0.008 1.359 -1.408) 1.957 1.450 ( 1.905 -1.064 -0.626) 2.270 1.560 ( -1.093 1.453 1.613) 2.430 1.584 ( 0.094 -0.771 1.554) 1.737 1.724 ( 0.460 -0.273 0.046) 0.537 1.728 ( 1.473 -0.587 -0.216) 1.601 1.812 ( 1.061 1.667 -0.308) 2.000 1.847 ( 1.138 -1.573 -0.474) 1.998 2.066 ( -0.633 -0.251 -0.385) 0.782 2.074 ( -0.471 -0.951 -0.055) 1.062 2.199 ( 0.260 1.461 0.861) 1.715 2.229 ( 0.101 -1.452 0.955) 1.740 2.334 ( -0.570 0.574 -0.233) 0.841 2.348 ( -0.488 -0.691 -0.532) 0.999 2.547 ( -1.020 0.286 -0.050) 1.061 2.556 ( -1.118 -0.574 -0.372) 1.311 2.670 ( 1.384 1.298 -0.630) 2.000 2.696 ( 1.220 -0.939 0.435) 1.600 2.732 ( -1.015 0.430 -0.284) 1.138 2.739 ( -0.398 -0.142 -0.857) 0.955 2.946 ( 1.228 0.603 0.391) 1.423 2.952 ( 1.041 -0.003 0.213) 1.063 3.079 ( 0.063 1.429 0.523) 1.523 3.107 ( -0.676 -1.113 0.549) 1.413 3.113 ( -1.195 0.336 0.315) 1.281 3.129 ( -0.594 -0.936 -1.075) 1.544 3.276 ( 0.551 0.629 -0.197) 0.859 3.288 ( 0.838 -0.524 0.029) 0.988 4.527 ( -0.788 5.689 6.126) 8.397 4.664 ( 1.295 -7.245 5.273) 9.054 4.840 ( 4.110 4.544 -6.035) 8.600 4.929 ( 5.821 -4.160 -3.306) 7.882 5.885 ( -0.075 0.397 -0.028) 0.405 5.895 ( -0.251 -0.509 -0.079) 0.573 5.923 ( -0.776 -0.000 -0.196) 0.800 5.928 ( -0.697 -0.503 0.125) 0.868 6.165 ( -3.353 0.289 -0.046) 3.366 6.172 ( -4.031 -0.375 -0.075) 4.049 6.251 ( -7.923 0.432 -0.137) 7.936 6.281 ( -10.779 -2.695 -0.002) 11.110 6.647 ( -1.554 0.301 0.064) 1.584 6.655 ( -1.736 -0.448 0.144) 1.798 7.152 ( -4.536 2.248 -0.823) 5.129 7.204 ( -5.654 -2.758 -0.447) 6.306 7.807 ( -1.294 2.549 0.115) 2.861 7.841 ( 0.849 -0.766 1.299) 1.730 7.872 ( -1.741 3.239 0.358) 3.695 7.973 ( -0.237 -6.349 -0.579) 6.379 8.474 ( 6.065 2.289 -0.967) 6.554 8.516 ( 5.414 -1.532 1.276) 5.770 8.679 ( -0.081 1.805 -1.068) 2.099 8.706 ( 0.490 -0.955 -3.145) 3.323 8.777 ( 2.898 2.248 4.555) 5.848 8.858 ( 3.693 -3.949 2.367) 5.903 9.122 ( 2.817 1.211 -1.873) 3.593 9.143 ( 3.767 -0.813 -0.045) 3.854 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -3.957 0.000 -7.001) 8.042 0.407 ( 3.957 0.000 7.001) 8.042 0.509 ( -0.094 0.000 -11.471) 11.471 0.509 ( 0.094 0.000 11.471) 11.471 0.708 ( -1.859 0.000 -15.881) 15.989 0.708 ( 1.859 0.000 15.881) 15.989 0.899 ( 0.079 0.000 -1.306) 1.308 0.899 ( -0.079 0.000 1.306) 1.308 1.011 ( -1.274 0.000 -6.174) 6.304 1.011 ( 1.274 0.000 6.174) 6.304 1.243 ( -1.543 0.000 -3.220) 3.571 1.243 ( 1.543 0.000 3.220) 3.571 1.247 ( 1.337 0.000 -3.450) 3.700 1.247 ( -1.337 0.000 3.450) 3.700 1.355 ( -2.621 0.000 0.118) 2.624 1.355 ( 2.621 0.000 -0.118) 2.624 1.415 ( -1.436 0.000 -0.238) 1.456 1.415 ( 1.436 0.000 0.238) 1.456 1.577 ( -0.827 0.000 -0.068) 0.830 1.577 ( 0.827 0.000 0.068) 0.830 1.769 ( -2.643 0.000 0.723) 2.741 1.769 ( 2.643 0.000 -0.723) 2.741 1.859 ( -2.921 0.000 -1.521) 3.293 1.859 ( 2.921 0.000 1.521) 3.293 2.139 ( -0.515 0.000 0.016) 0.515 2.139 ( 0.515 0.000 -0.016) 0.515 2.222 ( -2.003 0.000 -1.624) 2.579 2.222 ( 2.003 0.000 1.624) 2.579 2.347 ( -0.001 0.000 -1.027) 1.027 2.347 ( 0.001 0.000 1.027) 1.027 2.562 ( 1.510 0.000 -1.225) 1.945 2.562 ( -1.510 0.000 1.225) 1.945 2.623 ( -2.003 0.000 0.123) 2.007 2.623 ( 2.003 0.000 -0.123) 2.007 2.761 ( -0.837 0.000 0.094) 0.842 2.761 ( 0.837 0.000 -0.094) 0.842 2.929 ( 1.472 0.000 -2.025) 2.503 2.929 ( -1.472 0.000 2.025) 2.503 3.095 ( -0.928 0.000 -2.294) 2.475 3.095 ( 0.928 0.000 2.294) 2.475 3.124 ( 1.594 0.000 -2.203) 2.719 3.124 ( -1.594 0.000 2.203) 2.719 3.291 ( -1.626 0.000 -0.838) 1.829 3.291 ( 1.626 0.000 0.838) 1.829 4.425 ( 4.151 0.000 -6.904) 8.055 4.425 ( -4.151 0.000 6.904) 8.055 5.442 ( 3.384 0.000 -8.345) 9.005 5.442 ( -3.384 0.000 8.345) 9.005 5.909 ( -0.734 0.000 -0.297) 0.792 5.909 ( 0.734 0.000 0.297) 0.792 5.935 ( -6.728 0.000 -0.661) 6.760 5.935 ( 6.728 0.000 0.661) 6.760 6.153 ( -3.051 0.000 0.450) 3.084 6.153 ( 3.051 0.000 -0.450) 3.084 6.177 ( 1.955 0.000 -1.078) 2.233 6.177 ( -1.955 0.000 1.078) 2.233 6.642 ( -0.554 0.000 -0.124) 0.568 6.642 ( 0.554 0.000 0.124) 0.568 7.298 ( 9.648 0.000 -6.283) 11.513 7.298 ( -9.648 0.000 6.283) 11.513 7.706 ( -3.417 0.000 -3.102) 4.615 7.706 ( 3.417 0.000 3.102) 4.615 8.239 ( 2.207 0.000 -3.939) 4.515 8.239 ( -2.207 0.000 3.939) 4.515 8.314 ( 2.795 0.000 -7.254) 7.774 8.314 ( -2.795 0.000 7.254) 7.774 8.587 ( -0.302 0.000 -2.572) 2.589 8.587 ( 0.302 0.000 2.572) 2.589 9.039 ( 1.963 0.000 -1.115) 2.257 9.039 ( -1.963 0.000 1.115) 2.257 9.107 ( -3.192 0.000 -0.810) 3.293 9.107 ( 3.192 0.000 0.810) 3.293 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( 2.138 0.000 -6.411) 6.758 0.503 ( 4.819 0.000 7.432) 8.858 0.598 ( 6.269 0.000 -11.797) 13.359 0.628 ( 7.477 0.000 9.116) 11.790 0.775 ( 11.697 0.000 -11.915) 16.697 0.830 ( 8.449 0.000 9.902) 13.016 0.921 ( 1.737 0.000 -0.630) 1.847 0.928 ( 2.982 0.000 1.290) 3.249 0.984 ( -0.450 0.000 -7.037) 7.051 1.040 ( 1.045 0.000 5.809) 5.902 1.204 ( -2.659 0.000 2.735) 3.814 1.221 ( -0.847 0.000 -2.362) 2.509 1.263 ( -3.436 0.000 2.456) 4.224 1.328 ( 4.601 0.000 -2.374) 5.177 1.333 ( 5.527 0.000 4.458) 7.100 1.362 ( -2.047 0.000 1.091) 2.319 1.391 ( -0.979 0.000 -1.971) 2.200 1.463 ( 4.179 0.000 -2.242) 4.742 1.561 ( -1.547 0.000 -1.395) 2.082 1.600 ( 1.550 0.000 0.267) 1.573 1.691 ( -4.211 0.000 1.854) 4.601 1.784 ( -0.689 0.000 -0.307) 0.754 1.809 ( -2.122 0.000 -0.888) 2.300 1.904 ( 0.965 0.000 1.655) 1.916 2.104 ( -2.772 0.000 -0.938) 2.926 2.128 ( -1.392 0.000 -0.617) 1.522 2.202 ( 0.543 0.000 -1.170) 1.290 2.263 ( 1.882 0.000 1.186) 2.225 2.357 ( 0.625 0.000 1.619) 1.736 2.361 ( 1.454 0.000 -1.211) 1.892 2.532 ( -2.076 0.000 1.158) 2.377 2.593 ( 1.508 0.000 -1.120) 1.878 2.598 ( -0.414 0.000 0.940) 1.027 2.668 ( 2.335 0.000 0.852) 2.485 2.741 ( -0.963 0.000 -0.815) 1.262 2.768 ( 0.171 0.000 -0.727) 0.747 2.891 ( -2.292 0.000 0.987) 2.495 2.951 ( 1.230 0.000 -2.410) 2.706 3.054 ( -3.434 0.000 0.491) 3.469 3.120 ( 0.806 0.000 1.490) 1.694 3.140 ( 2.726 0.000 0.719) 2.819 3.163 ( 1.799 0.000 -0.053) 1.799 3.253 ( -1.647 0.000 -0.845) 1.851 3.311 ( 0.313 0.000 -0.123) 0.336 4.368 ( -1.877 0.000 5.866) 6.159 4.493 ( 3.124 0.000 -6.760) 7.447 5.159 ( -16.177 0.000 -1.364) 16.234 5.186 ( -17.528 0.000 1.482) 17.591 5.884 ( 0.238 0.000 -0.518) 0.570 5.905 ( 0.145 0.000 0.295) 0.329 5.926 ( 0.421 0.000 0.545) 0.689 5.970 ( -0.652 0.000 -0.065) 0.656 6.177 ( 2.503 0.000 -0.870) 2.650 6.195 ( 4.540 0.000 0.653) 4.587 6.282 ( 6.581 0.000 -2.428) 7.014 6.507 ( 10.666 0.000 8.219) 13.465 6.672 ( 2.210 0.000 0.077) 2.212 6.706 ( 12.019 0.000 4.228) 12.741 7.208 ( -0.480 0.000 -1.016) 1.124 7.544 ( 13.293 0.000 -13.894) 19.229 7.654 ( -0.042 0.000 -0.924) 0.925 7.764 ( 1.326 0.000 3.516) 3.758 8.161 ( -4.801 0.000 2.567) 5.444 8.210 ( -4.358 0.000 0.483) 4.385 8.271 ( -2.242 0.000 4.393) 4.932 8.337 ( -0.114 0.000 -3.267) 3.269 8.604 ( 1.437 0.000 0.371) 1.484 8.622 ( 2.348 0.000 2.673) 3.558 8.963 ( -5.322 0.000 1.405) 5.504 8.992 ( -5.645 0.000 -4.456) 7.192 9.039 ( -2.380 0.000 -1.964) 3.086 9.099 ( -3.334 0.000 0.393) 3.357 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 8.236 0.000 -5.329) 9.810 0.604 ( 5.172 0.000 5.230) 7.355 0.713 ( 7.200 0.000 -9.602) 12.002 0.758 ( 5.296 0.000 8.560) 10.066 0.910 ( -2.019 0.000 -0.332) 2.046 0.944 ( 1.792 0.000 1.354) 2.246 0.983 ( -0.581 0.000 -1.590) 1.693 0.984 ( 2.037 0.000 -6.031) 6.366 1.063 ( 12.007 0.000 -3.490) 12.504 1.104 ( 6.137 0.000 3.528) 7.079 1.164 ( -0.440 0.000 1.478) 1.542 1.172 ( -4.923 0.000 4.197) 6.469 1.235 ( 2.991 0.000 2.846) 4.128 1.298 ( -3.731 0.000 -0.204) 3.736 1.369 ( -1.295 0.000 -1.971) 2.358 1.421 ( 2.534 0.000 0.359) 2.559 1.463 ( 7.375 0.000 -0.440) 7.388 1.498 ( -2.619 0.000 -0.389) 2.648 1.572 ( 4.551 0.000 -2.274) 5.088 1.637 ( 1.808 0.000 -0.316) 1.835 1.642 ( -0.833 0.000 3.025) 3.138 1.750 ( -2.264 0.000 -0.369) 2.294 1.786 ( 0.406 0.000 -0.842) 0.935 1.898 ( -1.516 0.000 1.267) 1.975 2.048 ( -2.522 0.000 0.322) 2.543 2.093 ( -1.981 0.000 -0.968) 2.205 2.238 ( 2.887 0.000 -0.926) 3.032 2.295 ( 1.245 0.000 0.558) 1.365 2.369 ( 0.369 0.000 2.096) 2.128 2.391 ( 1.261 0.000 -1.452) 1.923 2.485 ( -1.953 0.000 -0.353) 1.985 2.600 ( -1.126 0.000 0.679) 1.315 2.611 ( 1.407 0.000 1.550) 2.093 2.703 ( 0.543 0.000 0.681) 0.871 2.733 ( 0.792 0.000 -1.741) 1.913 2.775 ( 0.507 0.000 -0.959) 1.085 2.858 ( -0.777 0.000 -0.441) 0.894 2.971 ( 1.033 0.000 -2.371) 2.587 2.982 ( -3.858 0.000 2.782) 4.756 3.134 ( -2.045 0.000 -0.086) 2.047 3.144 ( -0.048 0.000 0.263) 0.268 3.196 ( 2.524 0.000 0.216) 2.533 3.258 ( 1.290 0.000 0.946) 1.600 3.302 ( -1.080 0.000 -1.409) 1.776 4.374 ( 1.857 0.000 4.882) 5.224 4.524 ( 0.530 0.000 -5.836) 5.860 4.939 ( -6.644 0.000 -2.360) 7.050 4.944 ( -7.743 0.000 3.103) 8.341 5.889 ( 0.295 0.000 -0.678) 0.740 5.907 ( 0.022 0.000 0.499) 0.499 5.928 ( -0.196 0.000 0.465) 0.505 5.950 ( -1.268 0.000 -0.261) 1.295 6.245 ( 4.145 0.000 -1.346) 4.358 6.315 ( 7.364 0.000 1.041) 7.437 6.354 ( 1.664 0.000 -1.550) 2.274 6.563 ( 0.125 0.000 3.136) 3.139 6.716 ( 2.115 0.000 0.245) 2.129 6.934 ( 3.476 0.000 7.186) 7.983 7.270 ( 7.505 0.000 -4.505) 8.753 7.580 ( -2.059 0.000 -0.256) 2.075 7.750 ( -2.089 0.000 3.787) 4.325 7.831 ( 10.426 0.000 -12.799) 16.508 8.112 ( -4.747 0.000 0.828) 4.818 8.112 ( 0.048 0.000 0.727) 0.729 8.227 ( -2.557 0.000 4.222) 4.936 8.306 ( -2.872 0.000 0.856) 2.997 8.618 ( -0.267 0.000 2.121) 2.138 8.651 ( -0.222 0.000 -0.135) 0.260 8.872 ( -3.220 0.000 3.328) 4.631 8.919 ( -1.123 0.000 -4.882) 5.010 8.971 ( -3.888 0.000 -2.621) 4.689 9.020 ( -4.059 0.000 1.011) 4.183 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 8.764 0.000 -3.830) 9.564 0.709 ( 4.034 0.000 3.843) 5.572 0.837 ( -0.968 0.000 -3.069) 3.218 0.845 ( 0.685 0.000 3.594) 3.659 0.856 ( 4.048 0.000 -1.332) 4.261 0.898 ( -1.548 0.000 0.573) 1.650 0.961 ( -3.013 0.000 -4.644) 5.536 0.968 ( -3.048 0.000 0.252) 3.058 1.104 ( -0.924 0.000 3.908) 4.016 1.125 ( -1.268 0.000 0.173) 1.280 1.205 ( 3.661 0.000 2.889) 4.663 1.244 ( 0.420 0.000 -0.391) 0.574 1.275 ( 2.988 0.000 -2.265) 3.749 1.316 ( 0.454 0.000 2.067) 2.116 1.346 ( 2.237 0.000 -0.007) 2.237 1.407 ( -1.560 0.000 -3.546) 3.874 1.530 ( 2.347 0.000 2.427) 3.376 1.551 ( 0.779 0.000 -1.541) 1.727 1.571 ( 1.060 0.000 0.265) 1.092 1.630 ( -2.375 0.000 -0.599) 2.449 1.696 ( 2.928 0.000 1.187) 3.160 1.730 ( -0.466 0.000 -0.750) 0.883 1.822 ( 2.755 0.000 -2.165) 3.504 1.864 ( -1.836 0.000 2.086) 2.779 2.022 ( 0.072 0.000 1.896) 1.898 2.051 ( -2.115 0.000 -1.626) 2.668 2.293 ( 2.209 0.000 0.023) 2.209 2.310 ( 0.208 0.000 0.002) 0.208 2.374 ( -0.080 0.000 2.107) 2.109 2.383 ( -1.133 0.000 -1.434) 1.827 2.496 ( 2.734 0.000 -2.837) 3.940 2.555 ( -3.236 0.000 2.647) 4.180 2.649 ( 2.131 0.000 1.656) 2.699 2.689 ( -1.606 0.000 -1.261) 2.042 2.757 ( 1.241 0.000 -0.284) 1.273 2.775 ( -0.526 0.000 -0.557) 0.766 2.867 ( 1.769 0.000 -2.294) 2.897 2.914 ( -3.215 0.000 3.458) 4.721 2.999 ( 2.228 0.000 -1.578) 2.730 3.058 ( -3.877 0.000 0.071) 3.877 3.185 ( 2.552 0.000 0.224) 2.562 3.222 ( -0.479 0.000 1.014) 1.121 3.274 ( 0.188 0.000 1.632) 1.643 3.278 ( -0.587 0.000 -2.692) 2.755 4.436 ( 3.474 0.000 4.729) 5.868 4.500 ( -2.258 0.000 -5.145) 5.619 4.862 ( -1.717 0.000 1.605) 2.350 4.863 ( -1.628 0.000 -1.190) 2.017 5.897 ( 0.635 0.000 -0.452) 0.779 5.907 ( -0.216 0.000 0.448) 0.498 5.923 ( -0.256 0.000 0.209) 0.331 5.927 ( -0.856 0.000 -0.194) 0.878 6.317 ( 3.010 0.000 -0.799) 3.114 6.354 ( -0.870 0.000 -0.870) 1.230 6.471 ( 7.180 0.000 0.738) 7.218 6.556 ( -1.649 0.000 2.058) 2.637 6.762 ( 3.277 0.000 1.255) 3.509 6.871 ( -7.000 0.000 -0.592) 7.025 7.430 ( 7.389 0.000 -3.567) 8.205 7.529 ( -3.524 0.000 1.971) 4.038 7.760 ( 3.389 0.000 6.555) 7.379 7.867 ( -4.933 0.000 -7.568) 9.034 8.120 ( 5.636 0.000 -3.376) 6.570 8.140 ( 2.263 0.000 -3.390) 4.076 8.183 ( -2.402 0.000 4.027) 4.689 8.230 ( -5.153 0.000 4.234) 6.669 8.609 ( -0.422 0.000 2.127) 2.169 8.622 ( -1.582 0.000 -2.160) 2.677 8.858 ( 0.788 0.000 4.461) 4.530 8.896 ( -2.462 0.000 -3.903) 4.615 8.926 ( 0.960 0.000 -2.244) 2.441 8.958 ( -2.398 0.000 1.205) 2.683 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -3.628 2.693 -7.054) 8.377 0.434 ( 3.628 2.693 7.054) 8.377 0.546 ( -0.391 3.329 -9.389) 9.970 0.546 ( 0.391 3.329 9.389) 9.970 0.746 ( -1.174 3.404 -13.016) 13.504 0.746 ( 1.174 3.404 13.016) 13.504 0.912 ( 0.000 1.124 -1.337) 1.747 0.912 ( -0.000 1.124 1.337) 1.747 1.003 ( -1.569 -0.699 -5.245) 5.519 1.003 ( 1.569 -0.699 5.245) 5.519 1.237 ( -1.988 -0.656 -2.876) 3.558 1.237 ( 1.988 -0.656 2.876) 3.558 1.248 ( 1.538 -0.194 -2.074) 2.589 1.248 ( -1.538 -0.194 2.074) 2.589 1.337 ( 1.021 -0.845 -3.007) 3.286 1.337 ( -1.021 -0.845 3.007) 3.286 1.423 ( 1.493 0.329 -1.685) 2.276 1.423 ( -1.493 0.329 1.685) 2.276 1.583 ( -0.244 0.504 -1.521) 1.621 1.583 ( 0.244 0.504 1.521) 1.621 1.759 ( -1.673 -0.842 0.182) 1.882 1.759 ( 1.673 -0.842 -0.182) 1.882 1.857 ( -2.603 -0.174 -1.413) 2.967 1.857 ( 2.603 -0.174 1.413) 2.967 2.120 ( -0.599 -1.578 -0.090) 1.691 2.120 ( 0.599 -1.578 0.090) 1.691 2.226 ( -2.146 0.264 -1.764) 2.790 2.226 ( 2.146 0.264 1.764) 2.790 2.343 ( -0.103 -0.323 -1.028) 1.083 2.343 ( 0.103 -0.323 1.028) 1.083 2.557 ( 0.895 -0.502 -1.055) 1.471 2.557 ( -0.895 -0.502 1.055) 1.471 2.632 ( 0.087 0.813 -0.375) 0.900 2.632 ( -0.087 0.813 0.375) 0.900 2.754 ( -0.397 -0.495 -0.382) 0.741 2.754 ( 0.397 -0.495 0.382) 0.741 2.941 ( 1.157 0.966 -1.922) 2.442 2.941 ( -1.157 0.966 1.922) 2.442 3.088 ( -1.406 -0.476 -1.728) 2.277 3.088 ( 1.406 -0.476 1.728) 2.277 3.122 ( 1.408 -0.228 -2.198) 2.620 3.122 ( -1.408 -0.228 2.198) 2.620 3.291 ( -1.386 -0.009 -0.866) 1.635 3.291 ( 1.386 -0.009 0.866) 1.635 4.464 ( 3.329 3.535 -8.476) 9.768 4.464 ( -3.329 3.535 8.476) 9.768 5.309 ( 1.405 -11.137 -6.211) 12.829 5.309 ( -1.405 -11.137 6.211) 12.829 5.904 ( -0.821 -0.455 -0.126) 0.947 5.904 ( 0.821 -0.455 0.126) 0.947 5.924 ( -4.496 -0.747 -0.055) 4.558 5.924 ( 4.496 -0.747 0.055) 4.558 6.141 ( -1.642 -0.768 0.308) 1.839 6.141 ( 1.642 -0.768 -0.308) 1.839 6.177 ( 1.312 -0.117 -0.847) 1.566 6.177 ( -1.312 -0.117 0.847) 1.566 6.639 ( -0.632 -0.218 -0.177) 0.692 6.639 ( 0.632 -0.218 0.177) 0.692 7.232 ( -1.081 -4.613 -3.024) 5.621 7.232 ( 1.081 -4.613 3.024) 5.621 7.714 ( -2.630 0.931 -2.290) 3.609 7.714 ( 2.630 0.931 2.290) 3.609 8.103 ( -0.379 -5.498 -10.257) 11.644 8.103 ( 0.379 -5.498 10.257) 11.644 8.464 ( -3.462 5.628 -0.765) 6.652 8.464 ( 3.462 5.628 0.765) 6.652 8.593 ( 3.238 1.102 -2.212) 4.074 8.593 ( -3.238 1.102 2.212) 4.074 8.977 ( -1.627 -2.876 -2.310) 4.032 8.977 ( 1.627 -2.876 2.310) 4.032 9.160 ( -3.749 1.915 -0.453) 4.234 9.160 ( 3.749 1.915 0.453) 4.234 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.403 ( 1.951 3.079 -6.583) 7.525 0.528 ( 4.577 2.366 7.037) 8.721 0.632 ( 7.032 2.985 -7.915) 11.001 0.662 ( 7.035 3.151 5.526) 9.484 0.790 ( 8.244 1.292 -6.413) 10.524 0.851 ( 7.599 2.200 5.850) 9.839 0.931 ( 1.239 0.806 0.575) 1.586 0.940 ( 3.297 0.905 -0.903) 3.536 0.979 ( 0.381 -0.284 -5.111) 5.133 1.041 ( 1.572 -0.060 5.003) 5.245 1.206 ( -2.307 0.092 2.749) 3.589 1.219 ( -0.511 -0.377 -2.405) 2.488 1.263 ( -2.729 0.027 1.738) 3.236 1.310 ( 1.941 -2.200 -0.891) 3.067 1.327 ( 4.414 0.155 1.079) 4.547 1.365 ( 2.553 0.663 0.781) 2.751 1.392 ( -1.619 -0.120 0.646) 1.748 1.461 ( 3.355 -0.160 -2.167) 3.997 1.568 ( -1.972 0.342 -1.698) 2.625 1.597 ( 1.254 -0.081 0.385) 1.314 1.690 ( -3.388 -0.018 1.930) 3.899 1.770 ( -1.622 -1.128 -0.025) 1.976 1.813 ( -1.434 0.194 -1.195) 1.877 1.896 ( 0.806 -0.837 1.332) 1.767 2.096 ( -1.913 -0.797 -0.580) 2.152 2.120 ( -0.807 -0.773 -0.533) 1.238 2.196 ( 0.060 -0.231 -1.538) 1.556 2.266 ( 1.750 0.062 1.103) 2.069 2.347 ( 0.663 -0.655 0.183) 0.950 2.359 ( 1.153 -0.319 0.137) 1.204 2.535 ( -1.464 0.202 1.010) 1.790 2.585 ( 1.015 -0.352 -0.590) 1.225 2.610 ( 0.169 0.629 0.459) 0.797 2.670 ( 1.956 0.466 0.346) 2.040 2.738 ( -0.880 -0.229 -0.674) 1.132 2.759 ( 0.160 -0.697 -0.635) 0.956 2.899 ( -2.461 0.775 0.923) 2.740 2.954 ( 0.510 0.304 -1.957) 2.045 3.052 ( -2.722 -0.137 0.236) 2.736 3.115 ( 0.971 -0.347 1.149) 1.544 3.131 ( 2.159 -0.644 1.205) 2.555 3.160 ( 1.656 -0.255 -0.352) 1.712 3.258 ( -1.323 0.409 -0.840) 1.619 3.308 ( 0.221 -0.270 -0.141) 0.376 4.418 ( -1.864 4.371 7.362) 8.762 4.515 ( 2.464 2.116 -7.637) 8.299 5.100 ( -13.444 -5.512 2.307) 14.712 5.118 ( -13.242 -5.744 -2.013) 14.574 5.883 ( 0.176 -0.043 -0.469) 0.503 5.903 ( 0.179 -0.198 0.360) 0.448 5.924 ( 0.527 -0.170 0.408) 0.688 5.964 ( -0.334 -0.596 -0.041) 0.684 6.173 ( 2.674 -0.312 -0.726) 2.789 6.191 ( 4.427 -0.454 0.558) 4.485 6.271 ( 6.789 -0.861 -1.756) 7.065 6.455 ( 14.690 -4.916 6.846) 16.936 6.666 ( 3.598 -1.008 0.989) 3.865 6.671 ( 5.362 -1.508 0.223) 5.574 7.182 ( 1.197 -1.760 -2.485) 3.271 7.433 ( 12.025 -8.139 -6.660) 15.975 7.678 ( 0.073 2.113 0.056) 2.115 7.775 ( 2.598 0.676 3.002) 4.027 8.059 ( -2.395 -5.400 -5.608) 8.145 8.121 ( 0.209 -4.651 2.904) 5.487 8.327 ( -7.834 3.768 1.984) 8.917 8.471 ( -3.336 6.392 0.869) 7.263 8.583 ( 1.138 -1.188 2.725) 3.183 8.674 ( 3.596 2.728 0.098) 4.515 8.910 ( -4.066 -3.489 -0.321) 5.368 8.984 ( -1.860 -1.497 -0.346) 2.413 9.015 ( -8.142 1.098 -1.684) 8.387 9.165 ( -3.349 2.212 -1.224) 4.196 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 7.821 2.415 -5.243) 9.720 0.627 ( 5.241 2.116 4.693) 7.347 0.745 ( 5.942 2.695 -7.292) 9.785 0.785 ( 5.111 2.409 7.145) 9.110 0.888 ( 0.091 -1.419 -0.564) 1.530 0.945 ( 0.127 0.531 -1.049) 1.182 0.987 ( -0.007 0.179 -0.934) 0.951 1.013 ( 2.278 1.899 -2.859) 4.119 1.050 ( 9.756 -0.853 -1.595) 9.922 1.105 ( 3.694 0.052 2.915) 4.705 1.170 ( -3.784 -0.104 2.607) 4.597 1.190 ( 0.985 1.527 1.436) 2.316 1.237 ( 2.434 0.496 2.229) 3.337 1.296 ( -2.392 -0.358 -0.886) 2.576 1.345 ( -0.980 -1.946 -1.203) 2.490 1.416 ( 0.345 -0.622 -0.143) 0.726 1.463 ( 5.822 0.270 0.820) 5.886 1.512 ( -0.236 1.169 -0.817) 1.446 1.563 ( 4.581 -0.767 -2.071) 5.085 1.627 ( 1.479 -0.341 0.403) 1.570 1.657 ( -0.213 0.892 1.883) 2.094 1.727 ( -1.955 -1.721 -0.073) 2.606 1.795 ( 0.085 0.489 -1.126) 1.230 1.891 ( -1.231 -0.655 0.878) 1.648 2.051 ( -2.183 0.264 0.375) 2.231 2.092 ( -1.707 -0.066 -0.912) 1.936 2.230 ( 2.949 -0.589 -0.940) 3.150 2.297 ( 1.279 -0.065 0.222) 1.300 2.362 ( 0.544 -0.638 1.480) 1.701 2.384 ( 1.106 -0.685 -0.758) 1.506 2.495 ( -2.014 0.945 0.007) 2.225 2.591 ( -0.400 -0.315 0.777) 0.929 2.627 ( 0.795 0.838 0.678) 1.340 2.698 ( 0.302 -0.379 0.856) 0.983 2.729 ( 0.859 -0.212 -1.767) 1.976 2.768 ( 0.612 -0.598 -0.822) 1.186 2.862 ( -1.081 0.496 0.014) 1.189 2.966 ( 0.559 -0.638 -1.303) 1.555 2.992 ( -2.918 1.159 1.565) 3.508 3.132 ( -2.025 -0.170 -0.423) 2.076 3.142 ( 0.490 -0.226 0.404) 0.674 3.185 ( 2.291 -0.806 0.537) 2.488 3.261 ( 0.945 0.164 0.643) 1.155 3.299 ( -1.064 -0.364 -1.332) 1.744 4.416 ( 1.066 3.709 5.615) 6.813 4.537 ( 0.349 1.267 -6.206) 6.343 4.910 ( -6.233 -2.538 2.145) 7.063 4.925 ( -6.286 -1.995 -1.517) 6.768 5.887 ( 0.226 -0.137 -0.579) 0.637 5.907 ( 0.085 -0.085 0.503) 0.517 5.928 ( -0.100 -0.042 0.359) 0.375 5.947 ( -1.148 -0.298 -0.235) 1.209 6.244 ( 4.242 -0.089 -1.147) 4.395 6.306 ( 7.155 -0.762 1.047) 7.272 6.353 ( 2.058 0.023 -1.448) 2.516 6.553 ( 0.403 -1.165 2.906) 3.157 6.717 ( 2.451 0.023 0.428) 2.489 6.870 ( 5.766 -5.319 4.471) 9.029 7.264 ( 7.604 -0.436 -3.919) 8.566 7.548 ( 0.086 -3.633 -1.089) 3.793 7.753 ( 3.251 0.570 1.570) 3.655 7.816 ( 4.290 -0.582 -3.936) 5.851 8.024 ( 0.074 -4.798 -3.439) 5.904 8.119 ( -0.295 -2.156 -1.039) 2.412 8.214 ( -3.671 0.969 6.304) 7.359 8.375 ( -6.452 4.073 1.564) 7.789 8.599 ( 0.055 -0.894 1.801) 2.012 8.688 ( -2.267 1.808 -2.580) 3.881 8.846 ( -2.030 -2.851 1.169) 3.690 8.898 ( -1.543 -1.557 -2.954) 3.679 8.943 ( -3.003 0.441 1.543) 3.405 9.066 ( -5.674 1.594 -1.152) 6.005 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( 8.556 1.628 -3.489) 9.382 0.734 ( 3.981 2.226 3.375) 5.674 0.827 ( 0.404 -0.587 -3.100) 3.180 0.853 ( -1.960 0.463 -0.240) 2.028 0.865 ( 2.183 1.374 4.939) 5.572 0.936 ( 1.845 2.603 -1.922) 3.725 0.944 ( -3.701 0.232 -2.185) 4.304 1.010 ( -2.362 2.149 -1.126) 3.386 1.104 ( -0.960 -0.074 3.212) 3.353 1.124 ( -0.994 0.027 0.221) 1.019 1.188 ( 4.309 -1.225 1.377) 4.686 1.240 ( 1.928 -0.567 0.298) 2.032 1.263 ( -0.775 -1.137 -0.502) 1.464 1.302 ( -1.261 -1.208 0.077) 1.748 1.342 ( 2.944 -0.347 1.114) 3.167 1.390 ( -1.233 -1.436 -2.900) 3.463 1.536 ( 2.658 0.506 1.230) 2.972 1.563 ( 0.092 0.894 -0.344) 0.962 1.578 ( 2.163 0.792 -0.291) 2.322 1.638 ( -1.973 0.618 -0.764) 2.204 1.690 ( 2.476 -0.535 2.245) 3.384 1.716 ( -0.031 -1.161 -1.768) 2.116 1.825 ( 2.542 0.223 -1.887) 3.173 1.863 ( -1.541 -0.118 1.733) 2.322 2.028 ( 0.047 0.560 1.767) 1.854 2.055 ( -1.953 0.293 -1.551) 2.511 2.287 ( 2.499 -0.405 0.088) 2.533 2.312 ( 0.057 0.021 -0.350) 0.355 2.368 ( 0.145 -0.448 1.356) 1.435 2.381 ( -1.008 -0.207 -0.592) 1.187 2.496 ( 2.311 0.107 -2.145) 3.155 2.554 ( -3.224 -0.116 2.158) 3.881 2.653 ( 1.735 0.375 1.428) 2.278 2.686 ( -1.243 -0.263 -1.215) 1.758 2.755 ( 1.239 -0.130 -0.360) 1.296 2.771 ( -0.359 -0.381 -0.430) 0.678 2.868 ( 1.820 0.238 -1.137) 2.159 2.921 ( -3.373 0.435 2.060) 3.976 3.003 ( 2.321 0.489 -0.950) 2.555 3.061 ( -3.666 0.313 -0.127) 3.682 3.182 ( 2.365 -0.234 0.097) 2.379 3.212 ( -0.089 -0.737 1.076) 1.307 3.271 ( -0.054 -0.375 0.726) 0.819 3.275 ( -0.669 -0.339 -1.729) 1.885 4.462 ( 2.679 2.324 4.932) 6.075 4.515 ( -1.915 1.340 -5.259) 5.755 4.844 ( -1.277 -1.591 1.391) 2.469 4.850 ( -1.770 -1.378 -1.044) 2.474 5.894 ( 0.580 -0.221 -0.366) 0.720 5.905 ( -0.394 -0.166 0.405) 0.589 5.924 ( -0.172 0.098 0.072) 0.211 5.928 ( -0.599 0.044 -0.094) 0.608 6.318 ( 3.175 0.197 -0.605) 3.238 6.358 ( -0.839 0.394 -0.885) 1.281 6.457 ( 6.915 -1.303 0.981) 7.105 6.543 ( -1.918 -1.231 1.438) 2.695 6.766 ( 3.105 0.380 1.213) 3.355 6.855 ( -5.009 -1.436 -0.770) 5.267 7.420 ( 7.064 -0.936 -2.820) 7.664 7.513 ( -3.144 -1.545 1.629) 3.863 7.780 ( 2.300 1.425 4.850) 5.554 7.850 ( -2.727 -1.586 -4.853) 5.789 8.093 ( 7.050 -2.464 -3.692) 8.331 8.133 ( 2.006 -0.831 -3.684) 4.276 8.172 ( -2.190 -0.315 6.419) 6.789 8.237 ( -7.557 0.424 1.796) 7.779 8.599 ( 0.336 -0.344 2.211) 2.263 8.630 ( -2.442 0.560 -3.418) 4.238 8.841 ( 1.136 -2.119 1.850) 3.034 8.880 ( -2.256 -2.053 -2.340) 3.844 8.916 ( 1.459 0.697 2.026) 2.592 8.969 ( -3.834 0.388 -1.249) 4.051 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( -2.338 4.261 -4.978) 6.958 0.511 ( 2.338 4.261 4.978) 6.958 0.633 ( -0.003 4.812 -5.273) 7.138 0.633 ( 0.003 4.812 5.273) 7.138 0.829 ( 0.684 3.869 -7.325) 8.312 0.829 ( -0.684 3.869 7.325) 8.312 0.932 ( -0.111 0.483 -1.605) 1.680 0.932 ( 0.111 0.483 1.605) 1.680 0.993 ( -1.640 0.148 -1.703) 2.368 0.993 ( 1.640 0.148 1.703) 2.368 1.215 ( -2.191 -1.407 -2.444) 3.571 1.215 ( 2.191 -1.407 2.444) 3.571 1.230 ( 1.001 -1.382 -1.079) 2.018 1.230 ( -1.001 -1.382 1.079) 2.018 1.335 ( 1.060 0.231 -3.696) 3.852 1.335 ( -1.060 0.231 3.696) 3.852 1.428 ( 1.507 0.447 -1.487) 2.164 1.428 ( -1.507 0.447 1.487) 2.164 1.593 ( -0.931 0.271 -1.508) 1.793 1.593 ( 0.931 0.271 1.508) 1.793 1.740 ( -0.809 -0.882 -0.078) 1.200 1.740 ( 0.809 -0.882 0.078) 1.200 1.850 ( -1.745 -0.527 -1.271) 2.223 1.850 ( 1.745 -0.527 1.271) 2.223 2.086 ( -0.562 -1.427 -0.296) 1.562 2.086 ( 0.562 -1.427 0.296) 1.562 2.230 ( -1.709 0.068 -1.582) 2.330 2.230 ( 1.709 0.068 1.582) 2.330 2.336 ( -0.200 -0.360 -0.976) 1.059 2.336 ( 0.200 -0.360 0.976) 1.059 2.545 ( 0.360 -0.584 -0.708) 0.986 2.545 ( -0.360 -0.584 0.708) 0.986 2.656 ( 0.494 1.495 -0.741) 1.740 2.656 ( -0.494 1.495 0.741) 1.740 2.745 ( 0.195 -0.486 -1.017) 1.144 2.745 ( -0.195 -0.486 1.017) 1.144 2.960 ( 1.186 0.637 -1.467) 1.991 2.960 ( -1.186 0.637 1.467) 1.991 3.085 ( -1.297 0.270 -1.091) 1.716 3.085 ( 1.297 0.270 1.091) 1.716 3.114 ( 1.270 -0.493 -1.804) 2.261 3.114 ( -1.270 -0.493 1.804) 2.261 3.291 ( -0.860 -0.033 -0.743) 1.137 3.291 ( 0.860 -0.033 0.743) 1.137 4.559 ( 2.029 5.448 -10.570) 12.063 4.559 ( -2.029 5.448 10.570) 12.063 5.067 ( 1.107 -11.071 -8.123) 13.776 5.067 ( -1.107 -11.071 8.123) 13.776 5.896 ( -1.119 -0.249 -0.078) 1.149 5.896 ( 1.119 -0.249 0.078) 1.149 5.911 ( -1.832 -0.528 0.153) 1.912 5.911 ( 1.832 -0.528 -0.153) 1.912 6.131 ( -0.401 -0.203 -0.105) 0.462 6.131 ( 0.401 -0.203 0.105) 0.462 6.171 ( 1.048 -0.460 -0.595) 1.290 6.171 ( -1.048 -0.460 0.595) 1.290 6.636 ( -0.502 -0.053 -0.166) 0.532 6.636 ( 0.502 -0.053 0.166) 0.532 7.156 ( -2.131 -2.560 -2.756) 4.323 7.156 ( 2.131 -2.560 2.756) 4.323 7.746 ( -1.231 2.018 -1.575) 2.840 7.746 ( 1.231 2.018 1.575) 2.840 8.020 ( -1.318 -3.101 -7.149) 7.904 8.020 ( 1.318 -3.101 7.149) 7.904 8.509 ( -4.386 0.074 -0.891) 4.476 8.509 ( 4.386 0.074 0.891) 4.476 8.637 ( -1.024 2.089 -1.746) 2.909 8.637 ( 1.024 2.089 1.746) 2.909 8.952 ( -3.346 0.507 -5.051) 6.081 8.952 ( 3.346 0.507 5.051) 6.081 9.160 ( -3.527 -1.639 -2.184) 4.460 9.160 ( 3.527 -1.639 2.184) 4.460 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 2.005 5.713 -5.424) 8.129 0.595 ( 4.376 3.809 5.100) 7.724 0.710 ( 6.730 4.198 -1.917) 8.160 0.742 ( 7.375 4.133 -0.488) 8.468 0.827 ( 2.577 2.394 2.403) 4.260 0.910 ( 6.143 2.482 -0.346) 6.634 0.938 ( 1.269 -0.087 -1.600) 2.044 0.952 ( 1.643 -0.000 1.178) 2.021 0.981 ( 1.189 0.570 -1.406) 1.927 1.036 ( 2.163 -0.308 2.199) 3.100 1.201 ( -0.577 -0.641 1.183) 1.464 1.205 ( -0.721 -0.810 -1.446) 1.807 1.253 ( 1.082 -1.607 -0.941) 2.153 1.269 ( 0.076 -0.941 0.364) 1.012 1.345 ( 2.832 1.516 0.658) 3.279 1.370 ( 3.035 -0.350 1.705) 3.499 1.393 ( -0.377 0.176 0.098) 0.428 1.457 ( 1.411 -0.338 -0.970) 1.745 1.569 ( -1.092 0.147 -1.292) 1.698 1.601 ( -0.273 0.274 0.092) 0.398 1.695 ( -1.649 0.478 1.867) 2.537 1.744 ( -2.220 -1.274 0.220) 2.568 1.814 ( -1.082 0.010 -1.293) 1.686 1.871 ( 0.328 -1.502 0.734) 1.704 2.075 ( -0.497 -0.965 -0.264) 1.117 2.099 ( 0.146 -1.152 -0.320) 1.205 2.201 ( -0.432 0.677 -1.698) 1.878 2.261 ( 1.317 -0.597 0.756) 1.631 2.335 ( 0.377 -0.448 -0.203) 0.619 2.348 ( 0.833 -0.657 0.504) 1.175 2.539 ( -0.064 0.253 0.560) 0.618 2.574 ( 1.728 -0.761 -0.746) 2.030 2.627 ( -0.933 1.221 0.539) 1.629 2.691 ( 1.669 1.433 -0.050) 2.200 2.729 ( -1.289 -0.791 0.145) 1.520 2.746 ( 0.205 -0.417 -0.874) 0.990 2.917 ( -2.565 0.805 1.127) 2.915 2.959 ( -0.801 -0.049 -0.626) 1.017 3.058 ( -1.446 0.936 -0.283) 1.745 3.109 ( 1.112 -0.243 0.559) 1.268 3.120 ( 1.394 -0.412 1.118) 1.833 3.153 ( 1.703 -0.540 -0.829) 1.969 3.267 ( -1.047 0.422 -0.558) 1.259 3.300 ( -0.079 -0.494 -0.127) 0.516 4.527 ( -2.079 5.796 9.122) 11.006 4.578 ( 0.831 3.813 -9.034) 9.841 4.959 ( -7.730 -7.210 5.510) 11.921 4.983 ( -6.763 -6.935 -5.174) 10.982 5.883 ( 0.093 0.017 -0.324) 0.338 5.898 ( 0.237 -0.298 0.432) 0.576 5.921 ( 0.677 -0.094 0.133) 0.696 5.947 ( 0.338 -0.923 -0.058) 0.985 6.167 ( 2.979 -0.230 -0.402) 3.015 6.178 ( 4.280 -0.635 0.442) 4.350 6.256 ( 7.237 -0.486 -0.893) 7.308 6.346 ( 13.978 -4.553 2.239) 14.871 6.644 ( 2.258 -0.371 0.139) 2.292 6.660 ( 2.142 -0.418 0.338) 2.209 7.157 ( 3.118 -0.583 -2.660) 4.140 7.284 ( 9.073 -5.753 -0.607) 10.761 7.731 ( 0.468 2.844 1.212) 3.127 7.794 ( 2.551 1.151 2.322) 3.637 7.976 ( -2.165 -2.740 -7.943) 8.676 8.043 ( 0.612 -3.422 4.044) 5.333 8.384 ( -7.629 2.283 1.570) 8.117 8.537 ( -2.829 -1.482 3.777) 4.947 8.595 ( -0.018 3.745 -0.058) 3.745 8.695 ( 1.806 -0.369 -0.856) 2.032 8.865 ( -3.987 -0.673 -3.511) 5.355 8.972 ( -3.567 -0.247 -0.281) 3.587 9.034 ( -5.755 0.878 0.500) 5.843 9.167 ( -3.128 -1.576 0.045) 3.503 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 6.410 5.070 -4.614) 9.385 0.686 ( 4.830 3.374 3.790) 7.005 0.802 ( 3.071 2.318 -3.676) 5.322 0.845 ( 3.605 2.995 5.682) 7.365 0.881 ( 2.025 1.311 -1.327) 2.753 0.957 ( -1.574 -0.088 -1.449) 2.141 0.984 ( 1.430 -0.238 1.016) 1.771 1.033 ( 5.435 -0.172 0.894) 5.511 1.060 ( 5.423 2.078 -2.265) 6.233 1.095 ( 2.587 -1.282 1.688) 3.345 1.169 ( -2.326 0.083 0.281) 2.344 1.199 ( -0.252 -0.519 0.651) 0.870 1.260 ( 1.880 1.149 0.443) 2.248 1.278 ( 1.419 -1.257 -1.492) 2.412 1.310 ( -3.181 -0.905 0.686) 3.378 1.394 ( -2.351 -1.456 -0.058) 2.766 1.477 ( 5.393 1.105 1.306) 5.658 1.542 ( 2.792 1.388 -0.062) 3.119 1.546 ( 3.894 -0.453 -1.811) 4.318 1.625 ( 2.286 0.047 -0.310) 2.307 1.674 ( -0.925 0.629 1.936) 2.236 1.692 ( -2.179 -1.365 0.132) 2.575 1.803 ( 0.312 0.398 -1.101) 1.212 1.871 ( -0.433 -1.276 0.024) 1.348 2.056 ( -1.321 0.214 0.329) 1.378 2.087 ( -1.111 -0.491 -0.713) 1.409 2.224 ( 2.654 0.164 -1.139) 2.892 2.287 ( 1.416 -0.904 -0.363) 1.719 2.348 ( 0.694 -0.565 0.782) 1.188 2.366 ( 0.866 -0.933 0.246) 1.297 2.522 ( -1.749 1.576 0.553) 2.419 2.587 ( -0.468 -0.192 0.185) 0.539 2.635 ( 1.285 0.074 -0.220) 1.306 2.692 ( -1.379 -0.465 0.656) 1.596 2.729 ( 1.470 0.305 -0.885) 1.742 2.756 ( 0.684 -0.468 -0.579) 1.011 2.877 ( -1.296 0.885 0.640) 1.695 2.947 ( -0.450 -1.111 0.272) 1.230 3.028 ( -1.414 2.208 0.237) 2.632 3.128 ( -1.986 -0.346 -0.677) 2.127 3.136 ( 1.794 -0.199 0.613) 1.907 3.171 ( 1.546 -0.518 -0.082) 1.632 3.262 ( 0.217 -0.043 0.442) 0.494 3.287 ( -1.155 -0.729 -1.025) 1.708 4.508 ( -0.491 4.758 6.347) 7.947 4.574 ( -0.375 2.250 -6.567) 6.951 4.844 ( -4.167 -3.577 3.305) 6.409 4.866 ( -4.338 -3.530 -2.888) 6.295 5.885 ( 0.161 0.010 -0.325) 0.362 5.904 ( 0.177 -0.217 0.435) 0.518 5.927 ( 0.028 -0.051 0.147) 0.159 5.939 ( -0.785 -0.448 -0.197) 0.925 6.244 ( 4.607 0.193 -0.573) 4.647 6.287 ( 6.584 -1.035 0.944) 6.732 6.360 ( 3.037 0.753 -1.243) 3.367 6.508 ( 2.149 -3.144 1.698) 4.170 6.717 ( 3.295 -0.038 0.754) 3.380 6.766 ( 7.379 -3.762 1.114) 8.357 7.258 ( 7.227 -0.019 -2.793) 7.748 7.440 ( 5.118 -5.949 -0.526) 7.865 7.774 ( 3.372 1.178 0.875) 3.677 7.821 ( -0.680 0.647 1.935) 2.151 7.947 ( 1.346 -2.147 -4.696) 5.336 8.061 ( 1.317 -3.168 0.939) 3.557 8.255 ( -5.223 2.780 3.554) 6.902 8.425 ( -8.339 0.173 0.516) 8.356 8.604 ( 0.189 1.645 1.896) 2.517 8.680 ( -2.697 -1.951 -2.959) 4.454 8.826 ( -0.261 -0.390 -0.361) 0.593 8.846 ( -4.566 -1.571 -4.279) 6.452 8.979 ( -2.610 1.962 3.778) 4.994 9.068 ( -6.148 -1.130 -0.681) 6.288 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 7.279 3.193 -3.021) 8.503 0.788 ( 4.287 2.391 2.179) 5.371 0.823 ( -1.138 0.387 -1.604) 2.005 0.866 ( -3.283 0.745 0.660) 3.431 0.902 ( 2.110 2.117 3.370) 4.504 0.960 ( 0.970 1.165 -0.718) 1.677 0.989 ( -0.077 1.972 -1.524) 2.494 1.046 ( -3.130 1.058 0.058) 3.305 1.100 ( 1.880 0.315 1.099) 2.200 1.134 ( -0.993 0.895 -0.265) 1.363 1.167 ( 2.855 -0.814 -0.320) 2.986 1.210 ( 2.240 -2.078 1.240) 3.298 1.239 ( -2.995 -1.190 -0.583) 3.275 1.273 ( -2.758 -1.581 -0.194) 3.185 1.335 ( 2.507 -0.229 1.079) 2.739 1.359 ( -0.410 -1.339 -1.329) 1.930 1.550 ( 3.005 0.917 0.149) 3.146 1.581 ( -0.204 0.807 0.557) 1.002 1.604 ( 2.317 1.572 0.260) 2.812 1.649 ( -1.405 0.457 -1.001) 1.784 1.676 ( 1.861 -0.777 2.054) 2.879 1.691 ( 0.750 -1.067 -1.848) 2.262 1.830 ( 2.117 0.290 -1.351) 2.528 1.858 ( -0.808 -0.346 0.869) 1.236 2.041 ( -0.043 0.555 1.276) 1.392 2.059 ( -1.479 0.075 -1.192) 1.901 2.281 ( 2.716 -0.117 -0.240) 2.730 2.308 ( 0.268 -0.451 -0.592) 0.791 2.358 ( 0.520 -0.434 0.532) 0.861 2.373 ( -0.500 -0.582 0.250) 0.807 2.505 ( 0.879 0.819 -0.693) 1.387 2.551 ( -3.050 -0.188 1.233) 3.296 2.659 ( 1.173 0.089 0.646) 1.342 2.677 ( -0.510 -0.576 -0.898) 1.182 2.753 ( 0.900 -0.031 -0.247) 0.934 2.762 ( -0.079 -0.384 -0.197) 0.439 2.879 ( 1.553 0.735 -0.124) 1.722 2.923 ( -2.315 -0.278 0.874) 2.490 3.024 ( 1.325 1.546 -0.038) 2.036 3.070 ( -3.084 0.484 -0.462) 3.156 3.178 ( 2.149 -0.142 -0.054) 2.155 3.199 ( 0.519 -0.536 0.712) 1.031 3.259 ( -0.587 -0.760 -0.257) 0.994 3.263 ( -0.822 -0.826 -0.439) 1.246 4.521 ( 1.066 3.125 4.920) 5.925 4.551 ( -1.297 2.010 -5.085) 5.619 4.801 ( -0.839 -2.470 1.782) 3.159 4.809 ( -1.489 -2.514 -1.587) 3.325 5.891 ( 0.465 -0.059 -0.210) 0.513 5.901 ( -0.497 -0.217 0.250) 0.597 5.926 ( -0.037 0.049 0.014) 0.063 5.928 ( -0.246 -0.032 -0.039) 0.251 6.328 ( 3.636 0.775 0.007) 3.718 6.372 ( -0.557 0.970 -1.198) 1.639 6.424 ( 5.873 -1.648 1.462) 6.272 6.506 ( -2.071 -2.306 0.061) 3.100 6.776 ( 2.760 0.541 1.040) 2.998 6.823 ( -1.147 -1.417 -0.618) 1.925 7.396 ( 5.964 -1.221 -1.675) 6.314 7.467 ( -1.558 -2.859 0.950) 3.392 7.795 ( -0.004 -0.137 1.203) 1.211 7.811 ( -0.632 -1.811 -1.417) 2.384 8.050 ( 8.305 -1.022 1.102) 8.440 8.107 ( 3.211 -1.478 -0.679) 3.599 8.181 ( -3.386 0.998 2.547) 4.353 8.240 ( -9.761 -0.207 -2.243) 10.017 8.607 ( 0.219 0.760 2.464) 2.588 8.628 ( -1.737 -0.968 -3.248) 3.808 8.811 ( 0.530 -0.799 1.650) 1.909 8.828 ( -0.221 -1.148 -2.705) 2.947 8.937 ( -1.307 0.540 2.628) 2.985 8.962 ( -3.783 -1.033 -1.305) 4.133 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.584 ( -0.768 2.176 -1.513) 2.760 0.584 ( 0.768 2.176 1.513) 2.760 0.729 ( 0.665 3.827 -2.976) 4.894 0.729 ( -0.665 3.827 2.976) 4.894 0.853 ( 0.514 -1.514 -4.399) 4.681 0.853 ( -0.514 -1.514 4.399) 4.681 0.961 ( 1.510 2.582 -2.354) 3.806 0.961 ( -1.510 2.582 2.354) 3.806 0.998 ( 1.156 -0.501 -3.793) 3.997 0.998 ( -1.156 -0.501 3.793) 3.997 1.190 ( -1.085 -0.684 -1.035) 1.649 1.190 ( 1.085 -0.684 1.035) 1.649 1.204 ( -0.095 -0.877 -0.763) 1.166 1.204 ( 0.095 -0.877 0.763) 1.166 1.332 ( 0.430 -0.341 -1.787) 1.869 1.332 ( -0.430 -0.341 1.787) 1.869 1.444 ( -0.342 0.770 -0.437) 0.949 1.444 ( 0.342 0.770 0.437) 0.949 1.592 ( -0.952 -0.229 -0.504) 1.101 1.592 ( 0.952 -0.229 0.504) 1.101 1.729 ( -0.749 -0.190 0.213) 0.802 1.729 ( 0.749 -0.190 -0.213) 0.802 1.838 ( -0.676 -0.456 -0.671) 1.056 1.838 ( 0.676 -0.456 0.671) 1.056 2.067 ( -0.253 -0.430 -0.281) 0.572 2.067 ( 0.253 -0.430 0.281) 0.572 2.230 ( -0.650 -0.006 -0.687) 0.946 2.230 ( 0.650 -0.006 0.687) 0.946 2.330 ( -0.095 -0.175 -0.454) 0.496 2.330 ( 0.095 -0.175 0.454) 0.496 2.536 ( 0.083 -0.245 -0.244) 0.356 2.536 ( -0.083 -0.245 0.244) 0.356 2.688 ( -0.011 1.408 -0.828) 1.633 2.688 ( 0.011 1.408 0.828) 1.633 2.731 ( 0.574 -0.839 -0.909) 1.364 2.731 ( -0.574 -0.839 0.909) 1.364 2.967 ( 0.571 0.108 -0.521) 0.780 2.967 ( -0.571 0.108 0.521) 0.780 3.094 ( -0.301 0.486 -0.394) 0.694 3.094 ( 0.301 0.486 0.394) 0.694 3.104 ( 0.811 -0.394 -1.073) 1.402 3.104 ( -0.811 -0.394 1.073) 1.402 3.290 ( -0.290 -0.038 -0.311) 0.427 3.290 ( 0.290 -0.038 0.311) 0.427 4.678 ( 1.107 5.579 -9.455) 11.034 4.678 ( -1.107 5.579 9.455) 11.034 4.874 ( 0.908 -7.292 -8.437) 11.188 4.874 ( -0.908 -7.292 8.437) 11.188 5.894 ( -0.716 0.017 -0.051) 0.718 5.894 ( 0.716 0.017 0.051) 0.718 5.902 ( -0.777 -0.286 0.121) 0.837 5.902 ( 0.777 -0.286 -0.120) 0.837 6.132 ( -0.399 0.190 -0.029) 0.443 6.132 ( 0.399 0.190 0.029) 0.443 6.160 ( 0.516 -0.431 -0.210) 0.704 6.160 ( -0.516 -0.431 0.210) 0.704 6.636 ( -0.178 0.011 -0.078) 0.194 6.636 ( 0.178 0.011 0.078) 0.194 7.123 ( -0.738 -0.742 -1.067) 1.495 7.123 ( 0.738 -0.742 1.067) 1.495 7.785 ( -0.398 1.355 -0.636) 1.549 7.785 ( 0.398 1.355 0.636) 1.549 7.969 ( -0.708 -1.567 -2.391) 2.946 7.969 ( 0.708 -1.567 2.391) 2.946 8.505 ( -1.501 -0.182 -0.499) 1.592 8.505 ( 1.501 -0.182 0.499) 1.592 8.660 ( 0.255 0.365 -0.616) 0.760 8.660 ( -0.255 0.365 0.616) 0.760 8.987 ( -2.803 2.076 -4.292) 5.530 8.987 ( 2.803 2.076 4.292) 5.530 9.112 ( -2.441 -2.313 -2.761) 4.351 9.112 ( 2.441 -2.313 2.761) 4.351 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 2.989 4.495 -3.430) 6.396 0.654 ( 4.459 0.856 0.684) 4.591 0.785 ( 4.115 3.158 2.477) 5.748 0.820 ( 6.822 2.222 0.011) 7.175 0.866 ( 2.999 0.774 2.830) 4.195 0.904 ( 5.500 -1.074 -1.088) 5.709 0.942 ( -0.126 0.062 1.870) 1.876 0.960 ( -1.027 -0.022 1.650) 1.944 1.000 ( 2.169 1.268 -2.446) 3.507 1.024 ( 1.228 -0.938 -2.229) 2.713 1.186 ( -0.076 -0.501 -0.645) 0.820 1.189 ( -0.410 -0.630 -0.492) 0.899 1.233 ( 2.007 0.212 0.279) 2.037 1.251 ( 1.818 -1.061 0.598) 2.188 1.364 ( 3.313 0.034 0.583) 3.364 1.370 ( 3.909 0.036 -0.865) 4.003 1.401 ( -1.605 1.497 0.896) 2.371 1.438 ( -0.918 -1.534 0.300) 1.812 1.584 ( 0.191 1.109 -0.620) 1.284 1.601 ( -0.322 -0.390 -0.127) 0.522 1.707 ( -1.090 0.610 1.284) 1.791 1.721 ( -1.877 -0.899 0.521) 2.145 1.818 ( -0.739 0.529 -0.761) 1.185 1.839 ( -0.282 -1.415 0.228) 1.461 2.065 ( 0.140 0.033 -0.262) 0.299 2.076 ( 0.333 -0.952 -0.242) 1.037 2.221 ( -0.046 1.114 -1.072) 1.547 2.243 ( 0.634 -1.026 -0.071) 1.208 2.330 ( 0.317 0.017 0.024) 0.319 2.336 ( 0.501 -0.491 0.458) 0.838 2.546 ( 1.076 0.422 -0.009) 1.156 2.558 ( 1.669 -0.728 -0.460) 1.878 2.661 ( -1.455 1.917 0.277) 2.423 2.700 ( -1.007 -1.650 0.031) 1.933 2.722 ( 0.605 1.127 0.258) 1.305 2.739 ( 0.408 -0.460 -0.677) 0.914 2.933 ( -2.290 0.780 1.172) 2.688 2.949 ( -1.757 -0.763 0.753) 2.058 3.086 ( -0.281 1.349 -0.081) 1.380 3.103 ( 0.715 -0.433 0.582) 1.019 3.118 ( 1.370 0.452 -0.311) 1.476 3.136 ( 1.578 -1.023 -1.236) 2.250 3.277 ( -0.852 0.517 -0.208) 1.018 3.289 ( -0.501 -0.619 -0.072) 0.800 4.642 ( -2.929 4.923 7.164) 9.172 4.662 ( -1.654 3.601 -6.836) 7.901 4.829 ( -3.222 -4.593 4.002) 6.892 4.848 ( -2.599 -5.575 -4.119) 7.403 5.885 ( 0.116 0.214 -0.033) 0.246 5.891 ( 0.212 -0.337 0.300) 0.498 5.922 ( 0.774 0.194 -0.072) 0.802 5.930 ( 0.730 -0.660 -0.127) 0.993 6.165 ( 3.338 0.028 -0.044) 3.339 6.168 ( 3.826 -0.329 0.271) 3.850 6.255 ( 8.249 0.475 -0.467) 8.275 6.280 ( 10.265 -2.033 0.145) 10.466 6.644 ( 1.544 0.243 0.283) 1.589 6.652 ( 1.765 -0.409 0.417) 1.859 7.159 ( 4.382 0.870 -1.321) 4.659 7.196 ( 6.165 -2.883 0.118) 6.806 7.786 ( 0.684 2.293 1.685) 2.927 7.812 ( 1.601 0.086 1.945) 2.520 7.944 ( -1.263 -0.082 -4.476) 4.652 7.977 ( 0.146 -2.822 -0.182) 2.832 8.434 ( -5.347 2.606 2.437) 6.428 8.489 ( -3.130 -2.664 3.214) 5.218 8.653 ( -0.210 1.738 1.156) 2.098 8.679 ( 0.340 -0.995 -0.184) 1.067 8.885 ( -5.573 2.500 -6.253) 8.741 8.944 ( -6.258 -2.567 -4.800) 8.294 9.066 ( -1.915 2.286 3.551) 4.637 9.119 ( -2.362 -2.669 2.290) 4.236 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 4.731 4.507 -3.515) 7.419 0.735 ( 3.914 0.192 0.086) 3.920 0.842 ( 2.162 2.448 0.253) 3.276 0.890 ( 2.855 0.165 4.843) 5.624 0.919 ( -0.956 0.259 2.469) 2.660 0.935 ( 0.253 -0.163 -0.261) 0.398 0.988 ( 1.649 1.375 0.617) 2.234 1.047 ( 1.109 -2.437 -0.690) 2.765 1.055 ( 7.010 1.377 0.135) 7.145 1.087 ( 6.009 -0.229 -2.909) 6.680 1.171 ( -0.983 0.271 0.415) 1.101 1.184 ( -0.270 -0.632 -1.205) 1.387 1.258 ( 0.697 -0.256 0.088) 0.748 1.265 ( 0.348 -0.574 -0.838) 1.073 1.319 ( -3.033 1.555 0.740) 3.488 1.358 ( -3.047 -2.001 0.202) 3.651 1.504 ( 6.010 1.356 1.070) 6.253 1.528 ( 6.236 -0.935 0.435) 6.321 1.580 ( 1.284 1.799 -0.843) 2.366 1.615 ( 1.753 -1.341 -0.688) 2.312 1.677 ( -1.825 0.386 0.827) 2.041 1.685 ( -1.585 -0.092 1.522) 2.199 1.816 ( 0.676 0.950 -0.859) 1.448 1.842 ( 0.424 -1.440 -0.577) 1.608 2.062 ( -0.582 0.388 0.010) 0.699 2.074 ( -0.578 -0.713 -0.402) 1.002 2.237 ( 1.996 1.036 -1.212) 2.554 2.262 ( 1.604 -1.331 -0.917) 2.277 2.342 ( 0.692 0.029 0.717) 0.997 2.349 ( 0.719 -0.634 0.694) 1.184 2.554 ( -0.881 1.416 0.542) 1.754 2.578 ( -0.310 -0.811 0.076) 0.872 2.644 ( 0.213 0.931 -0.377) 1.027 2.670 ( -1.208 -1.429 -0.220) 1.885 2.740 ( 0.924 0.607 0.010) 1.106 2.749 ( 0.593 -0.281 -0.287) 0.716 2.898 ( -1.131 1.105 0.929) 1.834 2.922 ( -0.903 -1.219 0.924) 1.777 3.076 ( -0.887 2.220 0.303) 2.410 3.112 ( -0.822 -1.224 0.505) 1.559 3.141 ( 1.447 0.655 -0.825) 1.790 3.158 ( 1.391 -0.804 -1.054) 1.921 3.262 ( -0.658 0.184 0.191) 0.710 3.271 ( -1.196 -0.695 -0.395) 1.439 4.598 ( -1.979 3.476 4.293) 5.867 4.620 ( -1.831 1.510 -4.012) 4.662 4.778 ( -2.110 -2.126 1.958) 3.579 4.792 ( -2.391 -3.093 -2.113) 4.444 5.889 ( 0.178 0.325 -0.020) 0.371 5.897 ( 0.200 -0.422 0.259) 0.534 5.927 ( -0.018 0.083 -0.046) 0.096 5.931 ( -0.304 -0.304 -0.155) 0.457 6.252 ( 5.221 0.568 0.150) 5.253 6.267 ( 5.908 -0.862 0.694) 6.010 6.387 ( 4.023 1.847 -1.027) 4.544 6.438 ( 4.091 -3.167 -0.184) 5.178 6.715 ( 4.420 -0.005 0.850) 4.501 6.722 ( 5.731 -0.886 0.543) 5.824 7.272 ( 6.709 1.599 -1.351) 7.028 7.331 ( 6.506 -4.216 -0.143) 7.754 7.798 ( -0.193 1.205 0.829) 1.475 7.821 ( -1.554 -0.786 0.950) 1.983 7.944 ( 2.880 1.625 -1.468) 3.618 7.995 ( 2.506 -3.005 0.030) 3.913 8.322 ( -6.080 3.509 2.092) 7.325 8.391 ( -7.259 -2.909 0.933) 7.876 8.639 ( -1.490 0.907 1.174) 2.102 8.650 ( -2.865 -0.678 -1.527) 3.317 8.809 ( -1.585 0.645 -4.056) 4.402 8.838 ( -2.417 -1.143 -2.265) 3.504 9.012 ( -3.926 1.315 2.684) 4.934 9.038 ( -5.518 -1.370 1.009) 5.774 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.777 ( 4.791 2.378 -2.521) 5.913 0.804 ( 3.127 -0.413 -1.273) 3.401 0.854 ( -1.681 1.839 1.381) 2.849 0.876 ( -3.435 -0.140 0.862) 3.545 0.947 ( 3.548 2.113 3.249) 5.255 0.977 ( 2.396 -0.163 2.166) 3.234 1.015 ( 1.158 0.982 -0.991) 1.813 1.040 ( -1.813 -1.083 -0.548) 2.182 1.131 ( 1.703 1.459 -1.306) 2.595 1.151 ( 0.428 -0.614 0.009) 0.749 1.157 ( 0.470 1.332 -1.059) 1.765 1.178 ( 0.071 -0.764 -0.120) 0.777 1.215 ( -2.817 -0.683 -0.766) 2.999 1.235 ( -3.252 -2.063 0.585) 3.895 1.333 ( 1.702 0.065 0.534) 1.785 1.339 ( 0.684 -0.576 0.137) 0.904 1.572 ( 2.163 1.122 0.493) 2.486 1.589 ( 0.582 -0.239 0.797) 1.015 1.637 ( 1.832 1.470 0.585) 2.420 1.654 ( 0.215 -0.136 -1.839) 1.857 1.663 ( 1.141 -0.214 -1.499) 1.896 1.671 ( 0.343 -0.895 2.196) 2.396 1.838 ( 1.320 0.482 -0.749) 1.592 1.849 ( 0.221 -0.524 -0.032) 0.570 2.050 ( -0.301 0.385 0.443) 0.659 2.057 ( -0.837 -0.251 -0.488) 1.001 2.284 ( 2.255 0.403 -0.660) 2.384 2.296 ( 1.214 -0.666 -0.737) 1.568 2.354 ( 0.469 0.027 0.457) 0.656 2.360 ( 0.104 -0.552 0.568) 0.799 2.526 ( -0.937 1.066 0.186) 1.431 2.543 ( -2.355 -0.575 0.584) 2.493 2.659 ( 0.802 0.049 -0.093) 0.809 2.665 ( 0.159 -0.534 -0.477) 0.733 2.754 ( 0.388 0.085 -0.036) 0.399 2.756 ( 0.099 -0.186 -0.046) 0.215 2.896 ( 0.729 0.827 0.266) 1.134 2.912 ( -0.593 -0.735 0.546) 1.091 3.059 ( -0.405 1.524 0.281) 1.601 3.076 ( -1.989 -0.123 -0.284) 2.013 3.179 ( 2.033 0.328 -0.359) 2.090 3.189 ( 1.337 -0.499 -0.174) 1.438 3.244 ( -1.233 -0.474 -0.490) 1.409 3.246 ( -1.123 -0.609 0.445) 1.353 4.579 ( -0.327 2.132 2.833) 3.561 4.589 ( -0.961 1.207 -2.767) 3.169 4.754 ( -0.559 -1.581 1.076) 1.992 4.758 ( -0.909 -1.930 -1.122) 2.411 5.892 ( 0.202 0.174 -0.052) 0.272 5.896 ( -0.221 -0.232 0.089) 0.333 5.926 ( 0.002 0.006 -0.006) 0.009 5.927 ( -0.060 -0.046 -0.029) 0.081 6.349 ( 4.239 1.272 0.675) 4.477 6.377 ( 4.070 -1.149 0.327) 4.242 6.415 ( 0.093 1.359 -0.291) 1.393 6.456 ( -1.461 -2.362 -0.914) 2.924 6.787 ( 2.370 0.561 0.646) 2.520 6.800 ( 1.414 -0.806 0.017) 1.627 7.381 ( 3.797 0.117 -0.688) 3.860 7.408 ( 1.068 -2.415 0.246) 2.651 7.784 ( -0.692 -0.481 -0.741) 1.122 7.786 ( -0.986 -0.637 0.027) 1.174 8.052 ( 7.197 0.912 2.785) 7.770 8.077 ( 5.198 -1.403 1.415) 5.567 8.206 ( -5.837 1.267 -0.713) 6.015 8.228 ( -8.480 -0.870 -2.740) 8.954 8.605 ( -0.984 -0.504 -1.205) 1.636 8.610 ( -1.266 -0.601 1.204) 1.848 8.811 ( 2.029 1.409 -1.142) 2.722 8.835 ( 0.690 0.012 -0.108) 0.699 8.932 ( -3.648 -0.451 0.251) 3.685 8.940 ( -3.739 -0.872 0.963) 3.958 =================== 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 3/14112 10.0 12.508 5.730 8.833 0.000 0.870 0.000 3/14112 20.0 4.472 1.777 2.836 0.000 0.216 0.000 3/14112 30.0 2.602 1.012 1.628 0.000 0.114 0.000 3/14112 40.0 1.820 0.704 1.134 0.000 0.076 0.000 3/14112 50.0 1.395 0.539 0.868 0.000 0.057 0.000 3/14112 60.0 1.130 0.437 0.702 0.000 0.045 0.000 3/14112 70.0 0.949 0.367 0.590 0.000 0.037 0.000 3/14112 80.0 0.818 0.317 0.509 0.000 0.032 0.000 3/14112 90.0 0.719 0.279 0.448 0.000 0.028 0.000 3/14112 100.0 0.642 0.249 0.400 0.000 0.025 0.000 3/14112 110.0 0.580 0.226 0.362 0.000 0.022 0.000 3/14112 120.0 0.529 0.206 0.331 0.000 0.020 0.000 3/14112 130.0 0.487 0.190 0.304 0.000 0.019 0.000 3/14112 140.0 0.451 0.176 0.282 0.000 0.017 0.000 3/14112 150.0 0.420 0.164 0.263 0.000 0.016 0.000 3/14112 160.0 0.393 0.154 0.246 0.000 0.015 0.000 3/14112 170.0 0.370 0.145 0.232 0.000 0.014 0.000 3/14112 180.0 0.349 0.137 0.219 0.000 0.014 0.000 3/14112 190.0 0.330 0.129 0.207 0.000 0.013 0.000 3/14112 200.0 0.314 0.123 0.197 0.000 0.012 0.000 3/14112 210.0 0.299 0.117 0.187 0.000 0.012 0.000 3/14112 220.0 0.285 0.112 0.179 0.000 0.011 0.000 3/14112 230.0 0.272 0.107 0.171 0.000 0.011 0.000 3/14112 240.0 0.261 0.102 0.164 0.000 0.010 0.000 3/14112 250.0 0.251 0.098 0.157 0.000 0.010 0.000 3/14112 260.0 0.241 0.094 0.151 0.000 0.009 0.000 3/14112 270.0 0.232 0.091 0.146 0.000 0.009 0.000 3/14112 280.0 0.224 0.088 0.141 0.000 0.009 0.000 3/14112 290.0 0.216 0.085 0.136 0.000 0.008 0.000 3/14112 300.0 0.209 0.082 0.131 0.000 0.008 0.000 3/14112 310.0 0.202 0.079 0.127 0.000 0.008 0.000 3/14112 320.0 0.196 0.077 0.123 0.000 0.008 0.000 3/14112 330.0 0.190 0.074 0.119 0.000 0.007 0.000 3/14112 340.0 0.184 0.072 0.116 0.000 0.007 0.000 3/14112 350.0 0.179 0.070 0.113 0.000 0.007 0.000 3/14112 360.0 0.174 0.068 0.109 0.000 0.007 0.000 3/14112 370.0 0.169 0.066 0.106 0.000 0.007 0.000 3/14112 380.0 0.165 0.065 0.104 0.000 0.007 0.000 3/14112 390.0 0.160 0.063 0.101 0.000 0.006 0.000 3/14112 400.0 0.156 0.061 0.099 0.000 0.006 0.000 3/14112 410.0 0.153 0.060 0.096 0.000 0.006 0.000 3/14112 420.0 0.149 0.059 0.094 0.000 0.006 0.000 3/14112 430.0 0.146 0.057 0.092 0.000 0.006 0.000 3/14112 440.0 0.142 0.056 0.090 0.000 0.006 0.000 3/14112 450.0 0.139 0.055 0.088 0.000 0.006 0.000 3/14112 460.0 0.136 0.053 0.086 0.000 0.005 0.000 3/14112 470.0 0.133 0.052 0.084 0.000 0.005 0.000 3/14112 480.0 0.130 0.051 0.082 0.000 0.005 0.000 3/14112 490.0 0.128 0.050 0.080 0.000 0.005 0.000 3/14112 500.0 0.125 0.049 0.079 0.000 0.005 0.000 3/14112 510.0 0.123 0.048 0.077 0.000 0.005 0.000 3/14112 520.0 0.120 0.047 0.076 0.000 0.005 0.000 3/14112 530.0 0.118 0.046 0.074 0.000 0.005 0.000 3/14112 540.0 0.116 0.046 0.073 0.000 0.005 0.000 3/14112 550.0 0.114 0.045 0.072 0.000 0.005 0.000 3/14112 560.0 0.112 0.044 0.070 0.000 0.004 0.000 3/14112 570.0 0.110 0.043 0.069 0.000 0.004 0.000 3/14112 580.0 0.108 0.042 0.068 0.000 0.004 0.000 3/14112 590.0 0.106 0.042 0.067 0.000 0.004 0.000 3/14112 600.0 0.104 0.041 0.066 0.000 0.004 0.000 3/14112 610.0 0.103 0.040 0.065 0.000 0.004 0.000 3/14112 620.0 0.101 0.040 0.064 0.000 0.004 0.000 3/14112 630.0 0.099 0.039 0.063 0.000 0.004 0.000 3/14112 640.0 0.098 0.038 0.062 0.000 0.004 0.000 3/14112 650.0 0.096 0.038 0.061 0.000 0.004 0.000 3/14112 660.0 0.095 0.037 0.060 0.000 0.004 0.000 3/14112 670.0 0.093 0.037 0.059 0.000 0.004 0.000 3/14112 680.0 0.092 0.036 0.058 0.000 0.004 0.000 3/14112 690.0 0.091 0.036 0.057 0.000 0.004 0.000 3/14112 700.0 0.089 0.035 0.056 0.000 0.004 0.000 3/14112 710.0 0.088 0.035 0.056 0.000 0.003 0.000 3/14112 720.0 0.087 0.034 0.055 0.000 0.003 0.000 3/14112 730.0 0.086 0.034 0.054 0.000 0.003 0.000 3/14112 740.0 0.085 0.033 0.053 0.000 0.003 0.000 3/14112 750.0 0.083 0.033 0.053 0.000 0.003 0.000 3/14112 760.0 0.082 0.032 0.052 0.000 0.003 0.000 3/14112 770.0 0.081 0.032 0.051 0.000 0.003 0.000 3/14112 780.0 0.080 0.032 0.051 0.000 0.003 0.000 3/14112 790.0 0.079 0.031 0.050 0.000 0.003 0.000 3/14112 800.0 0.078 0.031 0.049 0.000 0.003 0.000 3/14112 810.0 0.077 0.030 0.049 0.000 0.003 0.000 3/14112 820.0 0.076 0.030 0.048 0.000 0.003 0.000 3/14112 830.0 0.075 0.030 0.048 0.000 0.003 0.000 3/14112 840.0 0.075 0.029 0.047 0.000 0.003 0.000 3/14112 850.0 0.074 0.029 0.046 0.000 0.003 0.000 3/14112 860.0 0.073 0.029 0.046 0.000 0.003 0.000 3/14112 870.0 0.072 0.028 0.045 0.000 0.003 0.000 3/14112 880.0 0.071 0.028 0.045 0.000 0.003 0.000 3/14112 890.0 0.070 0.028 0.044 0.000 0.003 0.000 3/14112 900.0 0.070 0.027 0.044 0.000 0.003 0.000 3/14112 910.0 0.069 0.027 0.043 0.000 0.003 0.000 3/14112 920.0 0.068 0.027 0.043 0.000 0.003 0.000 3/14112 930.0 0.067 0.026 0.042 0.000 0.003 0.000 3/14112 940.0 0.067 0.026 0.042 0.000 0.003 0.000 3/14112 950.0 0.066 0.026 0.042 0.000 0.003 0.000 3/14112 960.0 0.065 0.026 0.041 0.000 0.003 0.000 3/14112 970.0 0.065 0.025 0.041 0.000 0.003 0.000 3/14112 980.0 0.064 0.025 0.040 0.000 0.003 0.000 3/14112 990.0 0.063 0.025 0.040 0.000 0.003 0.000 3/14112 1000.0 0.063 0.025 0.039 0.000 0.002 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:07:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|