----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:57:48]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.675972661107810 0.000000000000000 0.000000000000000 b 0.000000000000000 7.507334000000000 0.000000000000000 c -0.851537810278441 0.000000000000000 7.087121738226277 Atomic positions (fractional): *1 Cu 0.06041413756735 0.16258349216304 0.54560063310141 63.546 2 Cu 0.93958586243265 0.83741650783695 0.45439936689859 63.546 3 Cu 0.06041413756735 0.33741650783695 0.04560063310141 63.546 4 Cu 0.93958586243265 0.66258349216305 0.95439936689859 63.546 *5 Se 0.40727685257911 0.27637263221714 0.99993297988157 78.960 6 Se 0.40727685257911 0.22362736778286 0.49993297988157 78.960 7 Se 0.59272314742089 0.77637263221714 0.50006702011843 78.960 8 Se 0.59272314742089 0.72362736778286 0.00006702011843 78.960 *9 Se 0.89907261617473 0.39162200183539 0.72228046502025 78.960 10 Se 0.10092738382527 0.89162200183539 0.77771953497975 78.960 11 Se 0.10092738382527 0.60837799816461 0.27771953497975 78.960 12 Se 0.89907261617473 0.10837799816461 0.22228046502025 78.960 *13 La 0.69003693959951 0.45033362132533 0.29964482346511 138.905 14 La 0.30996306040049 0.95033362132533 0.20035517653489 138.905 15 La 0.30996306040049 0.54966637867467 0.70035517653489 138.905 16 La 0.69003693959951 0.04966637867467 0.79964482346511 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.675972661107810 0.000000000000000 0.000000000000000 b 0.000000000000000 7.507334000000000 0.000000000000000 c -0.851537810278441 0.000000000000000 7.087121738226277 Atomic positions (fractional): *1 Cu 0.06041413756735 0.16258349216304 0.54560063310141 63.546 > 1 2 Cu 0.93958586243265 0.83741650783695 0.45439936689859 63.546 > 2 3 Cu 0.06041413756735 0.33741650783695 0.04560063310141 63.546 > 3 4 Cu 0.93958586243265 0.66258349216305 0.95439936689859 63.546 > 4 *5 Se 0.40727685257911 0.27637263221714 0.99993297988157 78.960 > 5 6 Se 0.40727685257911 0.22362736778286 0.49993297988157 78.960 > 6 7 Se 0.59272314742089 0.77637263221714 0.50006702011843 78.960 > 7 8 Se 0.59272314742089 0.72362736778286 0.00006702011843 78.960 > 8 *9 Se 0.89907261617473 0.39162200183539 0.72228046502025 78.960 > 9 10 Se 0.10092738382527 0.89162200183539 0.77771953497975 78.960 > 10 11 Se 0.10092738382527 0.60837799816461 0.27771953497975 78.960 > 11 12 Se 0.89907261617473 0.10837799816461 0.22228046502025 78.960 > 12 *13 La 0.69003693959951 0.45033362132533 0.29964482346511 138.905 > 13 14 La 0.30996306040049 0.95033362132533 0.20035517653489 138.905 > 14 15 La 0.30996306040049 0.54966637867467 0.70035517653489 138.905 > 15 16 La 0.69003693959951 0.04966637867467 0.79964482346511 138.905 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.351945322215620 0.000000000000000 0.000000000000000 b 0.000000000000000 15.014668000000000 0.000000000000000 c -1.703075620556882 0.000000000000000 14.174243476452554 Atomic positions (fractional): *1 Cu 0.03020706878367 0.08129174608152 0.27280031655070 63.546 > 1 2 Cu 0.53020706878367 0.08129174608152 0.27280031655070 63.546 > 1 3 Cu 0.03020706878367 0.58129174608152 0.27280031655070 63.546 > 1 4 Cu 0.53020706878367 0.58129174608152 0.27280031655070 63.546 > 1 5 Cu 0.03020706878367 0.08129174608152 0.77280031655070 63.546 > 1 6 Cu 0.53020706878367 0.08129174608152 0.77280031655070 63.546 > 1 7 Cu 0.03020706878367 0.58129174608152 0.77280031655070 63.546 > 1 8 Cu 0.53020706878367 0.58129174608152 0.77280031655070 63.546 > 1 9 Cu 0.46979293121633 0.41870825391848 0.22719968344930 63.546 > 2 10 Cu 0.96979293121633 0.41870825391848 0.22719968344930 63.546 > 2 11 Cu 0.46979293121633 0.91870825391848 0.22719968344930 63.546 > 2 12 Cu 0.96979293121633 0.91870825391848 0.22719968344930 63.546 > 2 13 Cu 0.46979293121633 0.41870825391848 0.72719968344930 63.546 > 2 14 Cu 0.96979293121633 0.41870825391848 0.72719968344930 63.546 > 2 15 Cu 0.46979293121633 0.91870825391848 0.72719968344930 63.546 > 2 16 Cu 0.96979293121633 0.91870825391848 0.72719968344930 63.546 > 2 17 Cu 0.03020706878367 0.16870825391848 0.02280031655070 63.546 > 3 18 Cu 0.53020706878367 0.16870825391848 0.02280031655070 63.546 > 3 19 Cu 0.03020706878367 0.66870825391848 0.02280031655070 63.546 > 3 20 Cu 0.53020706878367 0.66870825391848 0.02280031655070 63.546 > 3 21 Cu 0.03020706878367 0.16870825391848 0.52280031655070 63.546 > 3 22 Cu 0.53020706878367 0.16870825391848 0.52280031655070 63.546 > 3 23 Cu 0.03020706878367 0.66870825391848 0.52280031655070 63.546 > 3 24 Cu 0.53020706878367 0.66870825391848 0.52280031655070 63.546 > 3 25 Cu 0.46979293121633 0.33129174608152 0.47719968344930 63.546 > 4 26 Cu 0.96979293121633 0.33129174608152 0.47719968344930 63.546 > 4 27 Cu 0.46979293121633 0.83129174608152 0.47719968344930 63.546 > 4 28 Cu 0.96979293121633 0.83129174608152 0.47719968344930 63.546 > 4 29 Cu 0.46979293121633 0.33129174608152 0.97719968344930 63.546 > 4 30 Cu 0.96979293121633 0.33129174608152 0.97719968344930 63.546 > 4 31 Cu 0.46979293121633 0.83129174608152 0.97719968344930 63.546 > 4 32 Cu 0.96979293121633 0.83129174608152 0.97719968344930 63.546 > 4 *33 Se 0.20363842628956 0.13818631610857 0.49996648994079 78.960 > 5 34 Se 0.70363842628956 0.13818631610857 0.49996648994079 78.960 > 5 35 Se 0.20363842628956 0.63818631610857 0.49996648994079 78.960 > 5 36 Se 0.70363842628956 0.63818631610857 0.49996648994079 78.960 > 5 37 Se 0.20363842628956 0.13818631610857 0.99996648994079 78.960 > 5 38 Se 0.70363842628956 0.13818631610857 0.99996648994079 78.960 > 5 39 Se 0.20363842628956 0.63818631610857 0.99996648994079 78.960 > 5 40 Se 0.70363842628956 0.63818631610857 0.99996648994079 78.960 > 5 41 Se 0.20363842628956 0.11181368389143 0.24996648994079 78.960 > 6 42 Se 0.70363842628956 0.11181368389143 0.24996648994079 78.960 > 6 43 Se 0.20363842628956 0.61181368389143 0.24996648994079 78.960 > 6 44 Se 0.70363842628956 0.61181368389143 0.24996648994079 78.960 > 6 45 Se 0.20363842628956 0.11181368389143 0.74996648994079 78.960 > 6 46 Se 0.70363842628956 0.11181368389143 0.74996648994079 78.960 > 6 47 Se 0.20363842628956 0.61181368389143 0.74996648994079 78.960 > 6 48 Se 0.70363842628956 0.61181368389143 0.74996648994079 78.960 > 6 49 Se 0.29636157371044 0.38818631610857 0.25003351005921 78.960 > 7 50 Se 0.79636157371044 0.38818631610857 0.25003351005921 78.960 > 7 51 Se 0.29636157371044 0.88818631610857 0.25003351005921 78.960 > 7 52 Se 0.79636157371044 0.88818631610857 0.25003351005921 78.960 > 7 53 Se 0.29636157371044 0.38818631610857 0.75003351005921 78.960 > 7 54 Se 0.79636157371044 0.38818631610857 0.75003351005921 78.960 > 7 55 Se 0.29636157371044 0.88818631610857 0.75003351005921 78.960 > 7 56 Se 0.79636157371044 0.88818631610857 0.75003351005921 78.960 > 7 57 Se 0.29636157371044 0.36181368389143 0.00003351005921 78.960 > 8 58 Se 0.79636157371044 0.36181368389143 0.00003351005921 78.960 > 8 59 Se 0.29636157371044 0.86181368389143 0.00003351005921 78.960 > 8 60 Se 0.79636157371044 0.86181368389143 0.00003351005921 78.960 > 8 61 Se 0.29636157371044 0.36181368389143 0.50003351005921 78.960 > 8 62 Se 0.79636157371044 0.36181368389143 0.50003351005921 78.960 > 8 63 Se 0.29636157371044 0.86181368389143 0.50003351005921 78.960 > 8 64 Se 0.79636157371044 0.86181368389143 0.50003351005921 78.960 > 8 *65 Se 0.44953630808736 0.19581100091770 0.36114023251012 78.960 > 9 66 Se 0.94953630808736 0.19581100091770 0.36114023251012 78.960 > 9 67 Se 0.44953630808736 0.69581100091770 0.36114023251012 78.960 > 9 68 Se 0.94953630808736 0.69581100091770 0.36114023251012 78.960 > 9 69 Se 0.44953630808736 0.19581100091770 0.86114023251012 78.960 > 9 70 Se 0.94953630808736 0.19581100091770 0.86114023251012 78.960 > 9 71 Se 0.44953630808736 0.69581100091770 0.86114023251012 78.960 > 9 72 Se 0.94953630808736 0.69581100091770 0.86114023251012 78.960 > 9 73 Se 0.05046369191264 0.44581100091770 0.38885976748988 78.960 > 10 74 Se 0.55046369191264 0.44581100091770 0.38885976748988 78.960 > 10 75 Se 0.05046369191264 0.94581100091770 0.38885976748988 78.960 > 10 76 Se 0.55046369191264 0.94581100091770 0.38885976748988 78.960 > 10 77 Se 0.05046369191264 0.44581100091770 0.88885976748988 78.960 > 10 78 Se 0.55046369191264 0.44581100091770 0.88885976748988 78.960 > 10 79 Se 0.05046369191264 0.94581100091770 0.88885976748988 78.960 > 10 80 Se 0.55046369191264 0.94581100091770 0.88885976748988 78.960 > 10 81 Se 0.05046369191264 0.30418899908230 0.13885976748988 78.960 > 11 82 Se 0.55046369191264 0.30418899908230 0.13885976748988 78.960 > 11 83 Se 0.05046369191264 0.80418899908230 0.13885976748988 78.960 > 11 84 Se 0.55046369191264 0.80418899908230 0.13885976748988 78.960 > 11 85 Se 0.05046369191264 0.30418899908230 0.63885976748988 78.960 > 11 86 Se 0.55046369191264 0.30418899908230 0.63885976748988 78.960 > 11 87 Se 0.05046369191264 0.80418899908230 0.63885976748988 78.960 > 11 88 Se 0.55046369191264 0.80418899908230 0.63885976748988 78.960 > 11 89 Se 0.44953630808736 0.05418899908230 0.11114023251012 78.960 > 12 90 Se 0.94953630808736 0.05418899908230 0.11114023251012 78.960 > 12 91 Se 0.44953630808736 0.55418899908230 0.11114023251012 78.960 > 12 92 Se 0.94953630808736 0.55418899908230 0.11114023251012 78.960 > 12 93 Se 0.44953630808736 0.05418899908230 0.61114023251012 78.960 > 12 94 Se 0.94953630808736 0.05418899908230 0.61114023251012 78.960 > 12 95 Se 0.44953630808736 0.55418899908230 0.61114023251012 78.960 > 12 96 Se 0.94953630808736 0.55418899908230 0.61114023251012 78.960 > 12 *97 La 0.34501846979976 0.22516681066267 0.14982241173256 138.905 > 13 98 La 0.84501846979976 0.22516681066267 0.14982241173256 138.905 > 13 99 La 0.34501846979976 0.72516681066267 0.14982241173256 138.905 > 13 100 La 0.84501846979976 0.72516681066267 0.14982241173256 138.905 > 13 101 La 0.34501846979976 0.22516681066267 0.64982241173256 138.905 > 13 102 La 0.84501846979976 0.22516681066267 0.64982241173256 138.905 > 13 103 La 0.34501846979976 0.72516681066267 0.64982241173256 138.905 > 13 104 La 0.84501846979976 0.72516681066267 0.64982241173256 138.905 > 13 105 La 0.15498153020024 0.47516681066267 0.10017758826744 138.905 > 14 106 La 0.65498153020024 0.47516681066267 0.10017758826744 138.905 > 14 107 La 0.15498153020024 0.97516681066267 0.10017758826744 138.905 > 14 108 La 0.65498153020024 0.97516681066267 0.10017758826744 138.905 > 14 109 La 0.15498153020024 0.47516681066267 0.60017758826744 138.905 > 14 110 La 0.65498153020024 0.47516681066267 0.60017758826744 138.905 > 14 111 La 0.15498153020024 0.97516681066267 0.60017758826744 138.905 > 14 112 La 0.65498153020024 0.97516681066267 0.60017758826744 138.905 > 14 113 La 0.15498153020024 0.27483318933733 0.35017758826744 138.905 > 15 114 La 0.65498153020024 0.27483318933733 0.35017758826744 138.905 > 15 115 La 0.15498153020024 0.77483318933733 0.35017758826744 138.905 > 15 116 La 0.65498153020024 0.77483318933733 0.35017758826744 138.905 > 15 117 La 0.15498153020024 0.27483318933733 0.85017758826744 138.905 > 15 118 La 0.65498153020024 0.27483318933733 0.85017758826744 138.905 > 15 119 La 0.15498153020024 0.77483318933733 0.85017758826744 138.905 > 15 120 La 0.65498153020024 0.77483318933733 0.85017758826744 138.905 > 15 121 La 0.34501846979976 0.02483318933733 0.39982241173256 138.905 > 16 122 La 0.84501846979976 0.02483318933733 0.39982241173256 138.905 > 16 123 La 0.34501846979976 0.52483318933733 0.39982241173256 138.905 > 16 124 La 0.84501846979976 0.52483318933733 0.39982241173256 138.905 > 16 125 La 0.34501846979976 0.02483318933733 0.89982241173256 138.905 > 16 126 La 0.84501846979976 0.02483318933733 0.89982241173256 138.905 > 16 127 La 0.34501846979976 0.52483318933733 0.89982241173256 138.905 > 16 128 La 0.84501846979976 0.52483318933733 0.89982241173256 138.905 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9082820 0.0000000 0.8385939 0.0000000 12.2202874 0.0000000 0.8386393 0.0000000 13.3939671 -------------------------- Born effective charges -------------------------- 1 Cu 0.5512557 -0.0523173 0.0922769 -0.0792216 0.8397581 -0.2128546 0.0429945 -0.1643588 1.1327386 2 Cu 0.5512557 -0.0523173 0.0922769 -0.0792216 0.8397581 -0.2128546 0.0429945 -0.1643588 1.1327386 3 Cu 0.5512557 0.0523173 0.0922769 0.0792216 0.8397581 0.2128546 0.0429945 0.1643588 1.1327386 4 Cu 0.5512557 0.0523173 0.0922769 0.0792216 0.8397581 0.2128546 0.0429945 0.1643588 1.1327386 5 Se -2.5302889 0.0976972 0.1954983 0.0855960 -3.0674077 0.2568660 -0.0674129 0.3908885 -2.4089588 6 Se -2.5302889 -0.0976972 0.1954983 -0.0855960 -3.0674077 -0.2568660 -0.0674129 -0.3908885 -2.4089588 7 Se -2.5302889 -0.0976972 0.1954983 -0.0855960 -3.0674077 -0.2568660 -0.0674129 -0.3908885 -2.4089588 8 Se -2.5302889 0.0976972 0.1954983 0.0855960 -3.0674077 0.2568660 -0.0674129 0.3908885 -2.4089588 9 Se -2.2432214 -0.5361765 -0.3604113 -0.5816899 -2.6102160 0.0440171 -0.1333663 0.0878320 -2.8823763 10 Se -2.2432214 0.5361765 -0.3604113 0.5816899 -2.6102160 -0.0440171 -0.1333663 -0.0878320 -2.8823763 11 Se -2.2432214 -0.5361765 -0.3604113 -0.5816899 -2.6102160 0.0440171 -0.1333663 0.0878320 -2.8823763 12 Se -2.2432214 0.5361765 -0.3604113 0.5816899 -2.6102160 -0.0440171 -0.1333663 -0.0878320 -2.8823763 13 La 4.2222545 0.1127819 0.0726361 0.1826680 4.8378656 -0.0723382 0.1577847 -0.3906262 4.1585965 14 La 4.2222545 -0.1127819 0.0726361 -0.1826680 4.8378656 0.0723382 0.1577847 0.3906262 4.1585965 15 La 4.2222545 0.1127819 0.0726361 0.1826680 4.8378656 -0.0723382 0.1577847 -0.3906262 4.1585965 16 La 4.2222545 -0.1127819 0.0726361 -0.1826680 4.8378656 0.0723382 0.1577847 0.3906262 4.1585965 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.935 Solver_block: 200 / 480 - Time: 0.911 Solver_block: 300 / 480 - Time: 0.903 Solver_block: 400 / 480 - Time: 0.900 Solver_block: 480 / 480 - Time: 0.730 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.477 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 256 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 6), data: (512, 14) @ (14, 6) |-- (262, 256), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-07 23:58:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:58:17]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.675972661107810 0.000000000000000 0.000000000000000 b 0.000000000000000 7.507334000000000 0.000000000000000 c -0.851537810278441 0.000000000000000 7.087121738226277 Atomic positions (fractional): 1 Cu 0.06041413756735 0.16258349216304 0.54560063310141 63.546 2 Cu 0.93958586243265 0.83741650783695 0.45439936689859 63.546 3 Cu 0.06041413756735 0.33741650783695 0.04560063310141 63.546 4 Cu 0.93958586243265 0.66258349216305 0.95439936689859 63.546 5 Se 0.40727685257911 0.27637263221714 0.99993297988157 78.960 6 Se 0.40727685257911 0.22362736778286 0.49993297988157 78.960 7 Se 0.59272314742089 0.77637263221714 0.50006702011843 78.960 8 Se 0.59272314742089 0.72362736778286 0.00006702011843 78.960 9 Se 0.89907261617473 0.39162200183539 0.72228046502025 78.960 10 Se 0.10092738382527 0.89162200183539 0.77771953497975 78.960 11 Se 0.10092738382527 0.60837799816461 0.27771953497975 78.960 12 Se 0.89907261617473 0.10837799816461 0.22228046502025 78.960 13 La 0.69003693959951 0.45033362132533 0.29964482346511 138.905 14 La 0.30996306040049 0.95033362132533 0.20035517653489 138.905 15 La 0.30996306040049 0.54966637867467 0.70035517653489 138.905 16 La 0.69003693959951 0.04966637867467 0.79964482346511 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.351945322215620 0.000000000000000 0.000000000000000 b 0.000000000000000 15.014668000000000 0.000000000000000 c -1.703075620556882 0.000000000000000 14.174243476452554 Atomic positions (fractional): 1 Cu 0.03020706878367 0.08129174608152 0.27280031655070 63.546 > 1 2 Cu 0.53020706878367 0.08129174608152 0.27280031655070 63.546 > 1 3 Cu 0.03020706878367 0.58129174608152 0.27280031655070 63.546 > 1 4 Cu 0.53020706878367 0.58129174608152 0.27280031655070 63.546 > 1 5 Cu 0.03020706878367 0.08129174608152 0.77280031655070 63.546 > 1 6 Cu 0.53020706878367 0.08129174608152 0.77280031655070 63.546 > 1 7 Cu 0.03020706878367 0.58129174608152 0.77280031655070 63.546 > 1 8 Cu 0.53020706878367 0.58129174608152 0.77280031655070 63.546 > 1 9 Cu 0.46979293121633 0.41870825391848 0.22719968344930 63.546 > 9 10 Cu 0.96979293121633 0.41870825391848 0.22719968344930 63.546 > 9 11 Cu 0.46979293121633 0.91870825391848 0.22719968344930 63.546 > 9 12 Cu 0.96979293121633 0.91870825391848 0.22719968344930 63.546 > 9 13 Cu 0.46979293121633 0.41870825391848 0.72719968344930 63.546 > 9 14 Cu 0.96979293121633 0.41870825391848 0.72719968344930 63.546 > 9 15 Cu 0.46979293121633 0.91870825391848 0.72719968344930 63.546 > 9 16 Cu 0.96979293121633 0.91870825391848 0.72719968344930 63.546 > 9 17 Cu 0.03020706878367 0.16870825391848 0.02280031655070 63.546 > 17 18 Cu 0.53020706878367 0.16870825391848 0.02280031655070 63.546 > 17 19 Cu 0.03020706878367 0.66870825391848 0.02280031655070 63.546 > 17 20 Cu 0.53020706878367 0.66870825391848 0.02280031655070 63.546 > 17 21 Cu 0.03020706878367 0.16870825391848 0.52280031655070 63.546 > 17 22 Cu 0.53020706878367 0.16870825391848 0.52280031655070 63.546 > 17 23 Cu 0.03020706878367 0.66870825391848 0.52280031655070 63.546 > 17 24 Cu 0.53020706878367 0.66870825391848 0.52280031655070 63.546 > 17 25 Cu 0.46979293121633 0.33129174608152 0.47719968344930 63.546 > 25 26 Cu 0.96979293121633 0.33129174608152 0.47719968344930 63.546 > 25 27 Cu 0.46979293121633 0.83129174608152 0.47719968344930 63.546 > 25 28 Cu 0.96979293121633 0.83129174608152 0.47719968344930 63.546 > 25 29 Cu 0.46979293121633 0.33129174608152 0.97719968344930 63.546 > 25 30 Cu 0.96979293121633 0.33129174608152 0.97719968344930 63.546 > 25 31 Cu 0.46979293121633 0.83129174608152 0.97719968344930 63.546 > 25 32 Cu 0.96979293121633 0.83129174608152 0.97719968344930 63.546 > 25 33 Se 0.20363842628956 0.13818631610857 0.49996648994079 78.960 > 33 34 Se 0.70363842628956 0.13818631610857 0.49996648994079 78.960 > 33 35 Se 0.20363842628956 0.63818631610857 0.49996648994079 78.960 > 33 36 Se 0.70363842628956 0.63818631610857 0.49996648994079 78.960 > 33 37 Se 0.20363842628956 0.13818631610857 0.99996648994079 78.960 > 33 38 Se 0.70363842628956 0.13818631610857 0.99996648994079 78.960 > 33 39 Se 0.20363842628956 0.63818631610857 0.99996648994079 78.960 > 33 40 Se 0.70363842628956 0.63818631610857 0.99996648994079 78.960 > 33 41 Se 0.20363842628956 0.11181368389143 0.24996648994079 78.960 > 41 42 Se 0.70363842628956 0.11181368389143 0.24996648994079 78.960 > 41 43 Se 0.20363842628956 0.61181368389143 0.24996648994079 78.960 > 41 44 Se 0.70363842628956 0.61181368389143 0.24996648994079 78.960 > 41 45 Se 0.20363842628956 0.11181368389143 0.74996648994079 78.960 > 41 46 Se 0.70363842628956 0.11181368389143 0.74996648994079 78.960 > 41 47 Se 0.20363842628956 0.61181368389143 0.74996648994079 78.960 > 41 48 Se 0.70363842628956 0.61181368389143 0.74996648994079 78.960 > 41 49 Se 0.29636157371044 0.38818631610857 0.25003351005921 78.960 > 49 50 Se 0.79636157371044 0.38818631610857 0.25003351005921 78.960 > 49 51 Se 0.29636157371044 0.88818631610857 0.25003351005921 78.960 > 49 52 Se 0.79636157371044 0.88818631610857 0.25003351005921 78.960 > 49 53 Se 0.29636157371044 0.38818631610857 0.75003351005921 78.960 > 49 54 Se 0.79636157371044 0.38818631610857 0.75003351005921 78.960 > 49 55 Se 0.29636157371044 0.88818631610857 0.75003351005921 78.960 > 49 56 Se 0.79636157371044 0.88818631610857 0.75003351005921 78.960 > 49 57 Se 0.29636157371044 0.36181368389143 0.00003351005921 78.960 > 57 58 Se 0.79636157371044 0.36181368389143 0.00003351005921 78.960 > 57 59 Se 0.29636157371044 0.86181368389143 0.00003351005921 78.960 > 57 60 Se 0.79636157371044 0.86181368389143 0.00003351005921 78.960 > 57 61 Se 0.29636157371044 0.36181368389143 0.50003351005921 78.960 > 57 62 Se 0.79636157371044 0.36181368389143 0.50003351005921 78.960 > 57 63 Se 0.29636157371044 0.86181368389143 0.50003351005921 78.960 > 57 64 Se 0.79636157371044 0.86181368389143 0.50003351005921 78.960 > 57 65 Se 0.44953630808736 0.19581100091770 0.36114023251012 78.960 > 65 66 Se 0.94953630808736 0.19581100091770 0.36114023251012 78.960 > 65 67 Se 0.44953630808736 0.69581100091770 0.36114023251012 78.960 > 65 68 Se 0.94953630808736 0.69581100091770 0.36114023251012 78.960 > 65 69 Se 0.44953630808736 0.19581100091770 0.86114023251012 78.960 > 65 70 Se 0.94953630808736 0.19581100091770 0.86114023251012 78.960 > 65 71 Se 0.44953630808736 0.69581100091770 0.86114023251012 78.960 > 65 72 Se 0.94953630808736 0.69581100091770 0.86114023251012 78.960 > 65 73 Se 0.05046369191264 0.44581100091770 0.38885976748988 78.960 > 73 74 Se 0.55046369191264 0.44581100091770 0.38885976748988 78.960 > 73 75 Se 0.05046369191264 0.94581100091770 0.38885976748988 78.960 > 73 76 Se 0.55046369191264 0.94581100091770 0.38885976748988 78.960 > 73 77 Se 0.05046369191264 0.44581100091770 0.88885976748988 78.960 > 73 78 Se 0.55046369191264 0.44581100091770 0.88885976748988 78.960 > 73 79 Se 0.05046369191264 0.94581100091770 0.88885976748988 78.960 > 73 80 Se 0.55046369191264 0.94581100091770 0.88885976748988 78.960 > 73 81 Se 0.05046369191264 0.30418899908230 0.13885976748988 78.960 > 81 82 Se 0.55046369191264 0.30418899908230 0.13885976748988 78.960 > 81 83 Se 0.05046369191264 0.80418899908230 0.13885976748988 78.960 > 81 84 Se 0.55046369191264 0.80418899908230 0.13885976748988 78.960 > 81 85 Se 0.05046369191264 0.30418899908230 0.63885976748988 78.960 > 81 86 Se 0.55046369191264 0.30418899908230 0.63885976748988 78.960 > 81 87 Se 0.05046369191264 0.80418899908230 0.63885976748988 78.960 > 81 88 Se 0.55046369191264 0.80418899908230 0.63885976748988 78.960 > 81 89 Se 0.44953630808736 0.05418899908230 0.11114023251012 78.960 > 89 90 Se 0.94953630808736 0.05418899908230 0.11114023251012 78.960 > 89 91 Se 0.44953630808736 0.55418899908230 0.11114023251012 78.960 > 89 92 Se 0.94953630808736 0.55418899908230 0.11114023251012 78.960 > 89 93 Se 0.44953630808736 0.05418899908230 0.61114023251012 78.960 > 89 94 Se 0.94953630808736 0.05418899908230 0.61114023251012 78.960 > 89 95 Se 0.44953630808736 0.55418899908230 0.61114023251012 78.960 > 89 96 Se 0.94953630808736 0.55418899908230 0.61114023251012 78.960 > 89 97 La 0.34501846979976 0.22516681066267 0.14982241173256 138.905 > 97 98 La 0.84501846979976 0.22516681066267 0.14982241173256 138.905 > 97 99 La 0.34501846979976 0.72516681066267 0.14982241173256 138.905 > 97 100 La 0.84501846979976 0.72516681066267 0.14982241173256 138.905 > 97 101 La 0.34501846979976 0.22516681066267 0.64982241173256 138.905 > 97 102 La 0.84501846979976 0.22516681066267 0.64982241173256 138.905 > 97 103 La 0.34501846979976 0.72516681066267 0.64982241173256 138.905 > 97 104 La 0.84501846979976 0.72516681066267 0.64982241173256 138.905 > 97 105 La 0.15498153020024 0.47516681066267 0.10017758826744 138.905 > 105 106 La 0.65498153020024 0.47516681066267 0.10017758826744 138.905 > 105 107 La 0.15498153020024 0.97516681066267 0.10017758826744 138.905 > 105 108 La 0.65498153020024 0.97516681066267 0.10017758826744 138.905 > 105 109 La 0.15498153020024 0.47516681066267 0.60017758826744 138.905 > 105 110 La 0.65498153020024 0.47516681066267 0.60017758826744 138.905 > 105 111 La 0.15498153020024 0.97516681066267 0.60017758826744 138.905 > 105 112 La 0.65498153020024 0.97516681066267 0.60017758826744 138.905 > 105 113 La 0.15498153020024 0.27483318933733 0.35017758826744 138.905 > 113 114 La 0.65498153020024 0.27483318933733 0.35017758826744 138.905 > 113 115 La 0.15498153020024 0.77483318933733 0.35017758826744 138.905 > 113 116 La 0.65498153020024 0.77483318933733 0.35017758826744 138.905 > 113 117 La 0.15498153020024 0.27483318933733 0.85017758826744 138.905 > 113 118 La 0.65498153020024 0.27483318933733 0.85017758826744 138.905 > 113 119 La 0.15498153020024 0.77483318933733 0.85017758826744 138.905 > 113 120 La 0.65498153020024 0.77483318933733 0.85017758826744 138.905 > 113 121 La 0.34501846979976 0.02483318933733 0.39982241173256 138.905 > 121 122 La 0.84501846979976 0.02483318933733 0.39982241173256 138.905 > 121 123 La 0.34501846979976 0.52483318933733 0.39982241173256 138.905 > 121 124 La 0.84501846979976 0.52483318933733 0.39982241173256 138.905 > 121 125 La 0.34501846979976 0.02483318933733 0.89982241173256 138.905 > 121 126 La 0.84501846979976 0.02483318933733 0.89982241173256 138.905 > 121 127 La 0.34501846979976 0.52483318933733 0.89982241173256 138.905 > 121 128 La 0.84501846979976 0.52483318933733 0.89982241173256 138.905 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.9082820 0.0000000 0.8385939 0.0000000 12.2202874 0.0000000 0.8386393 0.0000000 13.3939671 -------------------------- Born effective charges -------------------------- 1 Cu 0.5512557 -0.0523173 0.0922769 -0.0792216 0.8397581 -0.2128546 0.0429945 -0.1643588 1.1327386 2 Cu 0.5512557 -0.0523173 0.0922769 -0.0792216 0.8397581 -0.2128546 0.0429945 -0.1643588 1.1327386 3 Cu 0.5512557 0.0523173 0.0922769 0.0792216 0.8397581 0.2128546 0.0429945 0.1643588 1.1327386 4 Cu 0.5512557 0.0523173 0.0922769 0.0792216 0.8397581 0.2128546 0.0429945 0.1643588 1.1327386 5 Se -2.5302889 0.0976972 0.1954983 0.0855960 -3.0674077 0.2568660 -0.0674129 0.3908885 -2.4089588 6 Se -2.5302889 -0.0976972 0.1954983 -0.0855960 -3.0674077 -0.2568660 -0.0674129 -0.3908885 -2.4089588 7 Se -2.5302889 -0.0976972 0.1954983 -0.0855960 -3.0674077 -0.2568660 -0.0674129 -0.3908885 -2.4089588 8 Se -2.5302889 0.0976972 0.1954983 0.0855960 -3.0674077 0.2568660 -0.0674129 0.3908885 -2.4089588 9 Se -2.2432214 -0.5361765 -0.3604113 -0.5816899 -2.6102160 0.0440171 -0.1333663 0.0878320 -2.8823763 10 Se -2.2432214 0.5361765 -0.3604113 0.5816899 -2.6102160 -0.0440171 -0.1333663 -0.0878320 -2.8823763 11 Se -2.2432214 -0.5361765 -0.3604113 -0.5816899 -2.6102160 0.0440171 -0.1333663 0.0878320 -2.8823763 12 Se -2.2432214 0.5361765 -0.3604113 0.5816899 -2.6102160 -0.0440171 -0.1333663 -0.0878320 -2.8823763 13 La 4.2222545 0.1127819 0.0726361 0.1826680 4.8378656 -0.0723382 0.1577847 -0.3906262 4.1585965 14 La 4.2222545 -0.1127819 0.0726361 -0.1826680 4.8378656 0.0723382 0.1577847 0.3906262 4.1585965 15 La 4.2222545 0.1127819 0.0726361 0.1826680 4.8378656 -0.0723382 0.1577847 -0.3906262 4.1585965 16 La 4.2222545 -0.1127819 0.0726361 -0.1826680 4.8378656 0.0723382 0.1577847 0.3906262 4.1585965 ---------------------------------------------------------------------------- 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] 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] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0012 0.0000 0.0099] [ 0.0012 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xy) -0.00000002 (xy) 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 2026-01-07 23:58:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:58:39]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.675972661107810 0.000000000000000 0.000000000000000 b 0.000000000000000 7.507334000000000 0.000000000000000 c -0.851537810278441 0.000000000000000 7.087121738226277 Atomic positions (fractional): 1 Cu 0.06041413756735 0.16258349216304 0.54560063310141 63.546 2 Cu 0.93958586243265 0.83741650783695 0.45439936689859 63.546 3 Cu 0.06041413756735 0.33741650783695 0.04560063310141 63.546 4 Cu 0.93958586243265 0.66258349216305 0.95439936689859 63.546 5 Se 0.40727685257911 0.27637263221714 0.99993297988157 78.960 6 Se 0.40727685257911 0.22362736778286 0.49993297988157 78.960 7 Se 0.59272314742089 0.77637263221714 0.50006702011843 78.960 8 Se 0.59272314742089 0.72362736778286 0.00006702011843 78.960 9 Se 0.89907261617473 0.39162200183539 0.72228046502025 78.960 10 Se 0.10092738382527 0.89162200183539 0.77771953497975 78.960 11 Se 0.10092738382527 0.60837799816461 0.27771953497975 78.960 12 Se 0.89907261617473 0.10837799816461 0.22228046502025 78.960 13 La 0.69003693959951 0.45033362132533 0.29964482346511 138.905 14 La 0.30996306040049 0.95033362132533 0.20035517653489 138.905 15 La 0.30996306040049 0.54966637867467 0.70035517653489 138.905 16 La 0.69003693959951 0.04966637867467 0.79964482346511 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.351945322215620 0.000000000000000 0.000000000000000 b 0.000000000000000 15.014668000000000 0.000000000000000 c -1.703075620556882 0.000000000000000 14.174243476452554 Atomic positions (fractional): 1 Cu 0.03020706878367 0.08129174608152 0.27280031655070 63.546 > 1 2 Cu 0.53020706878367 0.08129174608152 0.27280031655070 63.546 > 1 3 Cu 0.03020706878367 0.58129174608152 0.27280031655070 63.546 > 1 4 Cu 0.53020706878367 0.58129174608152 0.27280031655070 63.546 > 1 5 Cu 0.03020706878367 0.08129174608152 0.77280031655070 63.546 > 1 6 Cu 0.53020706878367 0.08129174608152 0.77280031655070 63.546 > 1 7 Cu 0.03020706878367 0.58129174608152 0.77280031655070 63.546 > 1 8 Cu 0.53020706878367 0.58129174608152 0.77280031655070 63.546 > 1 9 Cu 0.46979293121633 0.41870825391848 0.22719968344930 63.546 > 9 10 Cu 0.96979293121633 0.41870825391848 0.22719968344930 63.546 > 9 11 Cu 0.46979293121633 0.91870825391848 0.22719968344930 63.546 > 9 12 Cu 0.96979293121633 0.91870825391848 0.22719968344930 63.546 > 9 13 Cu 0.46979293121633 0.41870825391848 0.72719968344930 63.546 > 9 14 Cu 0.96979293121633 0.41870825391848 0.72719968344930 63.546 > 9 15 Cu 0.46979293121633 0.91870825391848 0.72719968344930 63.546 > 9 16 Cu 0.96979293121633 0.91870825391848 0.72719968344930 63.546 > 9 17 Cu 0.03020706878367 0.16870825391848 0.02280031655070 63.546 > 17 18 Cu 0.53020706878367 0.16870825391848 0.02280031655070 63.546 > 17 19 Cu 0.03020706878367 0.66870825391848 0.02280031655070 63.546 > 17 20 Cu 0.53020706878367 0.66870825391848 0.02280031655070 63.546 > 17 21 Cu 0.03020706878367 0.16870825391848 0.52280031655070 63.546 > 17 22 Cu 0.53020706878367 0.16870825391848 0.52280031655070 63.546 > 17 23 Cu 0.03020706878367 0.66870825391848 0.52280031655070 63.546 > 17 24 Cu 0.53020706878367 0.66870825391848 0.52280031655070 63.546 > 17 25 Cu 0.46979293121633 0.33129174608152 0.47719968344930 63.546 > 25 26 Cu 0.96979293121633 0.33129174608152 0.47719968344930 63.546 > 25 27 Cu 0.46979293121633 0.83129174608152 0.47719968344930 63.546 > 25 28 Cu 0.96979293121633 0.83129174608152 0.47719968344930 63.546 > 25 29 Cu 0.46979293121633 0.33129174608152 0.97719968344930 63.546 > 25 30 Cu 0.96979293121633 0.33129174608152 0.97719968344930 63.546 > 25 31 Cu 0.46979293121633 0.83129174608152 0.97719968344930 63.546 > 25 32 Cu 0.96979293121633 0.83129174608152 0.97719968344930 63.546 > 25 33 Se 0.20363842628956 0.13818631610857 0.49996648994079 78.960 > 33 34 Se 0.70363842628956 0.13818631610857 0.49996648994079 78.960 > 33 35 Se 0.20363842628956 0.63818631610857 0.49996648994079 78.960 > 33 36 Se 0.70363842628956 0.63818631610857 0.49996648994079 78.960 > 33 37 Se 0.20363842628956 0.13818631610857 0.99996648994079 78.960 > 33 38 Se 0.70363842628956 0.13818631610857 0.99996648994079 78.960 > 33 39 Se 0.20363842628956 0.63818631610857 0.99996648994079 78.960 > 33 40 Se 0.70363842628956 0.63818631610857 0.99996648994079 78.960 > 33 41 Se 0.20363842628956 0.11181368389143 0.24996648994079 78.960 > 41 42 Se 0.70363842628956 0.11181368389143 0.24996648994079 78.960 > 41 43 Se 0.20363842628956 0.61181368389143 0.24996648994079 78.960 > 41 44 Se 0.70363842628956 0.61181368389143 0.24996648994079 78.960 > 41 45 Se 0.20363842628956 0.11181368389143 0.74996648994079 78.960 > 41 46 Se 0.70363842628956 0.11181368389143 0.74996648994079 78.960 > 41 47 Se 0.20363842628956 0.61181368389143 0.74996648994079 78.960 > 41 48 Se 0.70363842628956 0.61181368389143 0.74996648994079 78.960 > 41 49 Se 0.29636157371044 0.38818631610857 0.25003351005921 78.960 > 49 50 Se 0.79636157371044 0.38818631610857 0.25003351005921 78.960 > 49 51 Se 0.29636157371044 0.88818631610857 0.25003351005921 78.960 > 49 52 Se 0.79636157371044 0.88818631610857 0.25003351005921 78.960 > 49 53 Se 0.29636157371044 0.38818631610857 0.75003351005921 78.960 > 49 54 Se 0.79636157371044 0.38818631610857 0.75003351005921 78.960 > 49 55 Se 0.29636157371044 0.88818631610857 0.75003351005921 78.960 > 49 56 Se 0.79636157371044 0.88818631610857 0.75003351005921 78.960 > 49 57 Se 0.29636157371044 0.36181368389143 0.00003351005921 78.960 > 57 58 Se 0.79636157371044 0.36181368389143 0.00003351005921 78.960 > 57 59 Se 0.29636157371044 0.86181368389143 0.00003351005921 78.960 > 57 60 Se 0.79636157371044 0.86181368389143 0.00003351005921 78.960 > 57 61 Se 0.29636157371044 0.36181368389143 0.50003351005921 78.960 > 57 62 Se 0.79636157371044 0.36181368389143 0.50003351005921 78.960 > 57 63 Se 0.29636157371044 0.86181368389143 0.50003351005921 78.960 > 57 64 Se 0.79636157371044 0.86181368389143 0.50003351005921 78.960 > 57 65 Se 0.44953630808736 0.19581100091770 0.36114023251012 78.960 > 65 66 Se 0.94953630808736 0.19581100091770 0.36114023251012 78.960 > 65 67 Se 0.44953630808736 0.69581100091770 0.36114023251012 78.960 > 65 68 Se 0.94953630808736 0.69581100091770 0.36114023251012 78.960 > 65 69 Se 0.44953630808736 0.19581100091770 0.86114023251012 78.960 > 65 70 Se 0.94953630808736 0.19581100091770 0.86114023251012 78.960 > 65 71 Se 0.44953630808736 0.69581100091770 0.86114023251012 78.960 > 65 72 Se 0.94953630808736 0.69581100091770 0.86114023251012 78.960 > 65 73 Se 0.05046369191264 0.44581100091770 0.38885976748988 78.960 > 73 74 Se 0.55046369191264 0.44581100091770 0.38885976748988 78.960 > 73 75 Se 0.05046369191264 0.94581100091770 0.38885976748988 78.960 > 73 76 Se 0.55046369191264 0.94581100091770 0.38885976748988 78.960 > 73 77 Se 0.05046369191264 0.44581100091770 0.88885976748988 78.960 > 73 78 Se 0.55046369191264 0.44581100091770 0.88885976748988 78.960 > 73 79 Se 0.05046369191264 0.94581100091770 0.88885976748988 78.960 > 73 80 Se 0.55046369191264 0.94581100091770 0.88885976748988 78.960 > 73 81 Se 0.05046369191264 0.30418899908230 0.13885976748988 78.960 > 81 82 Se 0.55046369191264 0.30418899908230 0.13885976748988 78.960 > 81 83 Se 0.05046369191264 0.80418899908230 0.13885976748988 78.960 > 81 84 Se 0.55046369191264 0.80418899908230 0.13885976748988 78.960 > 81 85 Se 0.05046369191264 0.30418899908230 0.63885976748988 78.960 > 81 86 Se 0.55046369191264 0.30418899908230 0.63885976748988 78.960 > 81 87 Se 0.05046369191264 0.80418899908230 0.63885976748988 78.960 > 81 88 Se 0.55046369191264 0.80418899908230 0.63885976748988 78.960 > 81 89 Se 0.44953630808736 0.05418899908230 0.11114023251012 78.960 > 89 90 Se 0.94953630808736 0.05418899908230 0.11114023251012 78.960 > 89 91 Se 0.44953630808736 0.55418899908230 0.11114023251012 78.960 > 89 92 Se 0.94953630808736 0.55418899908230 0.11114023251012 78.960 > 89 93 Se 0.44953630808736 0.05418899908230 0.61114023251012 78.960 > 89 94 Se 0.94953630808736 0.05418899908230 0.61114023251012 78.960 > 89 95 Se 0.44953630808736 0.55418899908230 0.61114023251012 78.960 > 89 96 Se 0.94953630808736 0.55418899908230 0.61114023251012 78.960 > 89 97 La 0.34501846979976 0.22516681066267 0.14982241173256 138.905 > 97 98 La 0.84501846979976 0.22516681066267 0.14982241173256 138.905 > 97 99 La 0.34501846979976 0.72516681066267 0.14982241173256 138.905 > 97 100 La 0.84501846979976 0.72516681066267 0.14982241173256 138.905 > 97 101 La 0.34501846979976 0.22516681066267 0.64982241173256 138.905 > 97 102 La 0.84501846979976 0.22516681066267 0.64982241173256 138.905 > 97 103 La 0.34501846979976 0.72516681066267 0.64982241173256 138.905 > 97 104 La 0.84501846979976 0.72516681066267 0.64982241173256 138.905 > 97 105 La 0.15498153020024 0.47516681066267 0.10017758826744 138.905 > 105 106 La 0.65498153020024 0.47516681066267 0.10017758826744 138.905 > 105 107 La 0.15498153020024 0.97516681066267 0.10017758826744 138.905 > 105 108 La 0.65498153020024 0.97516681066267 0.10017758826744 138.905 > 105 109 La 0.15498153020024 0.47516681066267 0.60017758826744 138.905 > 105 110 La 0.65498153020024 0.47516681066267 0.60017758826744 138.905 > 105 111 La 0.15498153020024 0.97516681066267 0.60017758826744 138.905 > 105 112 La 0.65498153020024 0.97516681066267 0.60017758826744 138.905 > 105 113 La 0.15498153020024 0.27483318933733 0.35017758826744 138.905 > 113 114 La 0.65498153020024 0.27483318933733 0.35017758826744 138.905 > 113 115 La 0.15498153020024 0.77483318933733 0.35017758826744 138.905 > 113 116 La 0.65498153020024 0.77483318933733 0.35017758826744 138.905 > 113 117 La 0.15498153020024 0.27483318933733 0.85017758826744 138.905 > 113 118 La 0.65498153020024 0.27483318933733 0.85017758826744 138.905 > 113 119 La 0.15498153020024 0.77483318933733 0.85017758826744 138.905 > 113 120 La 0.65498153020024 0.77483318933733 0.85017758826744 138.905 > 113 121 La 0.34501846979976 0.02483318933733 0.39982241173256 138.905 > 121 122 La 0.84501846979976 0.02483318933733 0.39982241173256 138.905 > 121 123 La 0.34501846979976 0.52483318933733 0.39982241173256 138.905 > 121 124 La 0.84501846979976 0.52483318933733 0.39982241173256 138.905 > 121 125 La 0.34501846979976 0.02483318933733 0.89982241173256 138.905 > 121 126 La 0.84501846979976 0.02483318933733 0.89982241173256 138.905 > 121 127 La 0.34501846979976 0.52483318933733 0.89982241173256 138.905 > 121 128 La 0.84501846979976 0.52483318933733 0.89982241173256 138.905 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.9082820 0.0000000 0.8385939 0.0000000 12.2202874 0.0000000 0.8386393 0.0000000 13.3939671 -------------------------- Born effective charges -------------------------- 1 Cu 0.5512557 -0.0523173 0.0922769 -0.0792216 0.8397581 -0.2128546 0.0429945 -0.1643588 1.1327386 2 Cu 0.5512557 -0.0523173 0.0922769 -0.0792216 0.8397581 -0.2128546 0.0429945 -0.1643588 1.1327386 3 Cu 0.5512557 0.0523173 0.0922769 0.0792216 0.8397581 0.2128546 0.0429945 0.1643588 1.1327386 4 Cu 0.5512557 0.0523173 0.0922769 0.0792216 0.8397581 0.2128546 0.0429945 0.1643588 1.1327386 5 Se -2.5302889 0.0976972 0.1954983 0.0855960 -3.0674077 0.2568660 -0.0674129 0.3908885 -2.4089588 6 Se -2.5302889 -0.0976972 0.1954983 -0.0855960 -3.0674077 -0.2568660 -0.0674129 -0.3908885 -2.4089588 7 Se -2.5302889 -0.0976972 0.1954983 -0.0855960 -3.0674077 -0.2568660 -0.0674129 -0.3908885 -2.4089588 8 Se -2.5302889 0.0976972 0.1954983 0.0855960 -3.0674077 0.2568660 -0.0674129 0.3908885 -2.4089588 9 Se -2.2432214 -0.5361765 -0.3604113 -0.5816899 -2.6102160 0.0440171 -0.1333663 0.0878320 -2.8823763 10 Se -2.2432214 0.5361765 -0.3604113 0.5816899 -2.6102160 -0.0440171 -0.1333663 -0.0878320 -2.8823763 11 Se -2.2432214 -0.5361765 -0.3604113 -0.5816899 -2.6102160 0.0440171 -0.1333663 0.0878320 -2.8823763 12 Se -2.2432214 0.5361765 -0.3604113 0.5816899 -2.6102160 -0.0440171 -0.1333663 -0.0878320 -2.8823763 13 La 4.2222545 0.1127819 0.0726361 0.1826680 4.8378656 -0.0723382 0.1577847 -0.3906262 4.1585965 14 La 4.2222545 -0.1127819 0.0726361 -0.1826680 4.8378656 0.0723382 0.1577847 0.3906262 4.1585965 15 La 4.2222545 0.1127819 0.0726361 0.1826680 4.8378656 -0.0723382 0.1577847 -0.3906262 4.1585965 16 La 4.2222545 -0.1127819 0.0726361 -0.1826680 4.8378656 0.0723382 0.1577847 0.3906262 4.1585965 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (xxx) -0.00000005 (xxx) -0.00000005 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 8 7 7 ] 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: 0.59, Number of G-points: 299, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/116) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.973 ( 0.000 0.000 0.000) 0.000 2.092 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.479 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 3.019 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.295 ( 0.000 0.000 0.000) 0.000 3.724 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 3.936 ( 0.000 0.000 0.000) 0.000 3.948 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.706 ( 0.000 0.000 0.000) 0.000 4.769 ( 0.000 0.000 0.000) 0.000 4.796 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.914 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.106 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.628 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.788 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/116) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 20.073 0.000 0.818) 20.090 0.464 ( 23.782 0.000 1.869) 23.855 0.650 ( 33.040 0.000 8.834) 34.200 1.834 ( -5.917 0.000 -2.946) 6.610 1.879 ( -0.440 0.000 -1.471) 1.535 1.973 ( -0.844 0.000 2.877) 2.998 2.096 ( -1.467 0.000 4.306) 4.548 2.236 ( -1.504 0.000 1.729) 2.292 2.279 ( -0.665 0.000 -8.515) 8.541 2.356 ( 1.620 0.000 8.613) 8.764 2.459 ( 0.168 0.000 -0.961) 0.975 2.470 ( -1.107 0.000 0.209) 1.127 2.629 ( -5.531 0.000 0.570) 5.560 2.701 ( 0.877 0.000 -0.782) 1.175 2.705 ( -2.114 0.000 -1.754) 2.748 2.834 ( 0.120 0.000 4.220) 4.221 2.845 ( -4.885 0.000 -0.380) 4.900 2.885 ( 3.301 0.000 2.454) 4.113 3.170 ( -0.765 0.000 1.235) 1.453 3.282 ( 1.711 0.000 -7.976) 8.157 3.302 ( 1.474 0.000 -5.835) 6.019 3.677 ( -5.159 0.000 1.955) 5.517 3.939 ( -0.272 0.000 -1.958) 1.977 3.939 ( 0.398 0.000 -2.367) 2.400 3.969 ( -0.126 0.000 8.491) 8.492 4.224 ( 1.253 0.000 -0.368) 1.306 4.315 ( -6.650 0.000 -1.422) 6.801 4.399 ( 5.160 0.000 -0.804) 5.222 4.498 ( 0.931 0.000 -0.346) 0.993 4.703 ( -2.929 0.000 -2.646) 3.947 4.718 ( 2.646 0.000 1.592) 3.088 4.796 ( -0.051 0.000 0.348) 0.352 4.816 ( -2.257 0.000 0.399) 2.292 4.917 ( 0.064 0.000 5.976) 5.976 4.944 ( -0.258 0.000 1.271) 1.297 4.995 ( 3.964 0.000 -5.002) 6.382 5.042 ( -4.514 0.000 -3.797) 5.898 5.120 ( 2.042 0.000 0.282) 2.061 5.286 ( 2.261 0.000 1.381) 2.650 5.364 ( -0.392 0.000 1.024) 1.096 5.402 ( -3.836 0.000 -0.290) 3.847 5.627 ( -0.229 0.000 -0.028) 0.230 5.631 ( 2.510 0.000 -0.531) 2.566 5.673 ( -0.172 0.000 4.507) 4.511 5.708 ( 0.829 0.000 0.836) 1.177 5.742 ( 0.057 0.000 2.385) 2.386 5.770 ( -1.700 0.000 -0.791) 1.875 6.219 ( 1.715 0.000 -5.202) 5.477 ======================= Grid point 2 (3/116) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 18.836 0.000 1.847) 18.926 0.883 ( 19.947 0.000 1.830) 20.031 1.262 ( 29.649 0.000 8.430) 30.824 1.684 ( -8.942 0.000 -2.632) 9.322 1.826 ( -5.255 0.000 -3.190) 6.148 1.951 ( -1.886 0.000 2.112) 2.831 2.106 ( 2.407 0.000 0.246) 2.420 2.215 ( -0.945 0.000 4.905) 4.995 2.245 ( -0.967 0.000 -7.398) 7.461 2.396 ( 0.485 0.000 4.977) 5.001 2.424 ( -4.377 0.000 1.171) 4.531 2.466 ( 0.911 0.000 1.166) 1.480 2.516 ( -4.799 0.000 -1.858) 5.146 2.634 ( -4.848 0.000 -3.771) 6.142 2.714 ( 0.911 0.000 -0.894) 1.276 2.717 ( -7.610 0.000 1.097) 7.689 2.885 ( 3.320 0.000 4.009) 5.205 2.986 ( 5.875 0.000 3.905) 7.055 3.151 ( -1.078 0.000 0.128) 1.086 3.295 ( 1.142 0.000 -6.513) 6.612 3.314 ( 1.021 0.000 -6.293) 6.375 3.546 ( -8.850 0.000 2.414) 9.173 3.924 ( -0.964 0.000 -4.634) 4.733 3.935 ( -0.309 0.000 -1.733) 1.761 3.965 ( -2.638 0.000 6.683) 7.185 4.189 ( -5.371 0.000 -0.473) 5.392 4.244 ( 0.812 0.000 -0.403) 0.906 4.490 ( -1.403 0.000 0.076) 1.405 4.528 ( 8.245 0.000 -2.561) 8.634 4.628 ( -3.628 0.000 -1.163) 3.810 4.781 ( 2.333 0.000 3.673) 4.351 4.801 ( 1.493 0.000 -0.514) 1.579 4.807 ( 0.395 0.000 0.623) 0.738 4.937 ( 1.019 0.000 3.752) 3.888 4.938 ( -0.767 0.000 0.460) 0.894 4.958 ( -3.164 0.000 -1.863) 3.672 5.040 ( 1.637 0.000 -1.968) 2.560 5.171 ( 2.991 0.000 0.403) 3.018 5.301 ( -1.593 0.000 -2.194) 2.712 5.331 ( -2.579 0.000 1.458) 2.963 5.359 ( -0.390 0.000 1.510) 1.560 5.615 ( -0.938 0.000 -0.550) 1.087 5.671 ( 1.860 0.000 0.288) 1.883 5.675 ( -0.850 0.000 1.885) 2.067 5.729 ( -0.285 0.000 1.914) 1.935 5.730 ( -1.801 0.000 -1.645) 2.439 5.761 ( 2.241 0.000 2.243) 3.170 6.244 ( 1.752 0.000 -2.158) 2.780 ======================= Grid point 3 (4/116) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 16.249 0.000 2.879) 16.502 1.197 ( 12.470 0.000 2.265) 12.674 1.513 ( -7.929 0.000 -2.071) 8.195 1.672 ( -9.524 0.000 -3.919) 10.299 1.766 ( 20.492 0.000 9.306) 22.506 1.932 ( 0.144 0.000 -0.351) 0.380 2.149 ( -0.050 0.000 -8.619) 8.619 2.233 ( 1.105 0.000 8.173) 8.248 2.238 ( 3.707 0.000 -0.949) 3.826 2.332 ( -4.652 0.000 1.366) 4.848 2.393 ( -0.994 0.000 -0.681) 1.205 2.429 ( -4.562 0.000 -4.867) 6.671 2.504 ( 2.440 0.000 4.826) 5.407 2.523 ( -5.208 0.000 -4.161) 6.666 2.604 ( -3.942 0.000 1.126) 4.099 2.737 ( 1.761 0.000 -1.042) 2.046 2.955 ( 2.766 0.000 3.026) 4.099 3.043 ( -4.379 0.000 4.329) 6.157 3.137 ( -0.383 0.000 -0.321) 0.500 3.301 ( 2.522 0.000 -3.793) 4.555 3.311 ( 0.074 0.000 -4.214) 4.214 3.412 ( -3.896 0.000 -0.180) 3.900 3.838 ( -6.816 0.000 -1.944) 7.088 3.925 ( -0.412 0.000 -0.571) 0.704 3.935 ( -1.017 0.000 2.720) 2.904 4.136 ( -0.829 0.000 -0.285) 0.877 4.252 ( 0.161 0.000 -0.356) 0.390 4.464 ( -1.053 0.000 0.279) 1.090 4.575 ( -1.907 0.000 -0.134) 1.911 4.667 ( 6.525 0.000 -2.766) 7.087 4.794 ( -0.180 0.000 1.762) 1.772 4.816 ( 0.302 0.000 0.495) 0.579 4.863 ( 3.206 0.000 1.246) 3.439 4.908 ( -0.755 0.000 -4.416) 4.480 4.928 ( -1.521 0.000 4.132) 4.403 4.969 ( 1.374 0.000 2.358) 2.729 5.052 ( 0.173 0.000 -1.136) 1.149 5.223 ( 2.190 0.000 0.029) 2.190 5.236 ( -3.195 0.000 -1.324) 3.459 5.312 ( -0.695 0.000 -0.004) 0.695 5.359 ( 0.177 0.000 1.188) 1.202 5.596 ( -0.830 0.000 -0.347) 0.900 5.638 ( -2.683 0.000 0.458) 2.722 5.701 ( 0.911 0.000 1.226) 1.527 5.715 ( 0.131 0.000 -0.926) 0.935 5.719 ( -0.593 0.000 0.828) 1.018 5.808 ( 1.831 0.000 1.114) 2.143 6.269 ( 1.125 0.000 -0.897) 1.439 ======================= Grid point 4 (5/116) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 0.000 0.000 -0.000) 0.000 1.338 ( -0.000 0.000 -0.000) 0.000 1.412 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.054 ( -0.000 0.000 -0.000) 0.000 2.250 ( 0.000 0.000 -0.000) 0.000 2.314 ( 0.000 0.000 -0.000) 0.000 2.317 ( 0.000 0.000 -0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 -0.000) 0.000 2.461 ( 0.000 0.000 -0.000) 0.000 2.559 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 -0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 -0.000) 0.000 2.987 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 -0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 -0.000) 0.000 3.379 ( 0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 -0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 -0.000) 0.000 4.252 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 -0.000) 0.000 4.557 ( 0.000 0.000 -0.000) 0.000 4.733 ( 0.000 0.000 -0.000) 0.000 4.791 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 -0.000) 0.000 4.900 ( 0.000 0.000 -0.000) 0.000 4.900 ( -0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 -0.000) 0.000 4.987 ( 0.000 0.000 -0.000) 0.000 5.050 ( 0.000 0.000 0.000) 0.000 5.201 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 -0.000) 0.000 5.304 ( 0.000 0.000 -0.000) 0.000 5.365 ( -0.000 0.000 0.000) 0.000 5.587 ( 0.000 0.000 -0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 0.000) 0.000 5.716 ( 0.000 0.000 -0.000) 0.000 5.719 ( 0.000 0.000 -0.000) 0.000 5.827 ( 0.000 0.000 -0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/116) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( 0.000 23.052 0.000) 23.052 0.492 ( 0.000 25.457 0.000) 25.457 0.846 ( 0.000 43.285 0.000) 43.285 1.868 ( 0.000 -0.752 0.000) 0.752 1.930 ( 0.000 2.285 0.000) 2.285 2.003 ( 0.000 2.863 0.000) 2.863 2.126 ( 0.000 3.377 0.000) 3.377 2.179 ( 0.000 -6.175 0.000) 6.175 2.295 ( 0.000 -0.998 0.000) 0.998 2.347 ( 0.000 2.068 0.000) 2.068 2.433 ( 0.000 -2.679 0.000) 2.679 2.508 ( 0.000 2.532 0.000) 2.532 2.602 ( 0.000 -6.938 0.000) 6.938 2.670 ( 0.000 -5.560 0.000) 5.560 2.713 ( 0.000 -1.244 0.000) 1.244 2.796 ( 0.000 -0.075 0.000) 0.075 2.826 ( 0.000 -3.533 0.000) 3.533 3.026 ( 0.000 7.810 0.000) 7.810 3.107 ( 0.000 4.110 0.000) 4.110 3.172 ( 0.000 1.614 0.000) 1.614 3.296 ( 0.000 -4.032 0.000) 4.032 3.698 ( 0.000 -3.941 0.000) 3.941 3.710 ( 0.000 -12.093 0.000) 12.093 3.971 ( 0.000 3.075 0.000) 3.075 4.077 ( 0.000 3.423 0.000) 3.423 4.194 ( 0.000 0.262 0.000) 0.262 4.422 ( 0.000 -8.814 0.000) 8.814 4.455 ( 0.000 4.253 0.000) 4.253 4.520 ( 0.000 -3.934 0.000) 3.934 4.543 ( 0.000 5.086 0.000) 5.086 4.661 ( 0.000 -6.275 0.000) 6.275 4.809 ( 0.000 -0.371 0.000) 0.371 4.893 ( 0.000 0.920 0.000) 0.920 4.894 ( 0.000 1.948 0.000) 1.948 4.969 ( 0.000 0.104 0.000) 0.104 5.033 ( 0.000 -2.594 0.000) 2.594 5.136 ( 0.000 1.110 0.000) 1.110 5.202 ( 0.000 -0.277 0.000) 0.277 5.306 ( 0.000 1.371 0.000) 1.371 5.320 ( 0.000 3.586 0.000) 3.586 5.353 ( 0.000 -1.234 0.000) 1.234 5.488 ( 0.000 4.087 0.000) 4.087 5.629 ( 0.000 -0.237 0.000) 0.237 5.707 ( 0.000 1.661 0.000) 1.661 5.715 ( 0.000 -0.606 0.000) 0.606 5.790 ( 0.000 0.247 0.000) 0.247 5.867 ( 0.000 0.662 0.000) 0.662 6.360 ( 0.000 -2.010 0.000) 2.010 ======================= Grid point 10 (7/116) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 11.452 16.019 4.561) 20.213 0.603 ( 12.554 18.013 3.881) 22.296 1.086 ( 19.703 32.166 2.289) 37.791 1.845 ( -3.097 1.532 -0.687) 3.523 1.930 ( 0.068 3.883 -2.465) 4.600 1.984 ( -2.355 1.310 1.877) 3.284 2.102 ( -1.820 -0.480 0.769) 2.033 2.189 ( 0.062 -2.577 1.994) 3.259 2.275 ( -1.343 -1.498 -3.888) 4.378 2.369 ( 1.232 2.391 4.083) 4.889 2.415 ( -0.823 -4.616 -1.758) 5.008 2.505 ( -0.454 2.646 0.698) 2.774 2.590 ( -3.266 -4.640 1.906) 5.985 2.635 ( -1.605 -4.537 2.064) 5.237 2.692 ( -1.247 -1.968 -3.241) 3.991 2.796 ( -1.561 -1.303 -1.214) 2.368 2.805 ( -1.412 -1.422 0.322) 2.030 3.001 ( -0.251 5.518 4.048) 6.848 3.160 ( 3.491 -2.559 -2.857) 5.186 3.194 ( 0.228 2.370 0.044) 2.382 3.313 ( 2.415 -3.154 -5.355) 6.668 3.653 ( -4.498 -3.006 1.300) 5.564 3.737 ( 2.171 -11.147 -0.554) 11.370 3.971 ( 0.225 3.445 -1.076) 3.616 4.089 ( 0.308 2.164 1.251) 2.519 4.203 ( 0.538 -0.364 0.418) 0.772 4.341 ( -4.978 1.389 0.820) 5.232 4.496 ( 0.294 3.041 1.143) 3.262 4.529 ( 0.083 4.074 -2.326) 4.692 4.544 ( 4.001 -8.054 0.027) 8.993 4.664 ( -0.016 -4.592 0.277) 4.600 4.825 ( -2.447 0.149 0.825) 2.587 4.834 ( -0.700 -0.446 -0.534) 0.986 4.885 ( -0.860 1.080 -0.541) 1.483 4.970 ( 0.076 1.053 3.591) 3.743 5.032 ( -0.337 0.071 -3.054) 3.073 5.125 ( -0.811 1.522 0.629) 1.836 5.149 ( -0.773 5.908 -2.509) 6.465 5.303 ( -0.392 -0.107 -0.597) 0.722 5.354 ( 0.037 -0.890 -0.297) 0.939 5.423 ( 1.398 -0.440 3.630) 3.914 5.469 ( 1.058 -1.799 -0.577) 2.165 5.633 ( 0.089 0.291 0.569) 0.646 5.717 ( 1.080 0.907 0.975) 1.714 5.721 ( 0.448 0.054 1.268) 1.345 5.761 ( -2.415 0.977 0.682) 2.692 5.858 ( -0.966 3.917 -0.686) 4.093 6.256 ( -4.650 1.260 -3.221) 5.795 ======================= Grid point 11 (8/116) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 17.169 7.979 0.294) 18.935 0.901 ( 16.866 7.016 5.865) 19.185 1.458 ( 16.253 15.399 6.168) 23.223 1.735 ( -7.717 5.501 -0.562) 9.494 1.888 ( -4.717 6.163 -4.549) 8.996 1.950 ( -0.621 0.415 1.864) 2.008 2.096 ( 1.465 -3.085 1.074) 3.580 2.199 ( 1.042 0.091 2.343) 2.566 2.240 ( -1.116 -1.341 -4.096) 4.453 2.365 ( -1.597 -1.328 -2.495) 3.247 2.439 ( 2.129 -0.667 4.846) 5.335 2.481 ( -2.622 2.152 2.392) 4.151 2.508 ( -4.177 -0.742 -1.016) 4.363 2.591 ( -3.583 -4.580 -3.573) 6.825 2.660 ( -3.982 -3.377 1.094) 5.335 2.725 ( -0.507 -0.496 -0.855) 1.111 2.831 ( 2.268 -1.324 1.657) 3.105 3.052 ( 3.472 2.752 4.437) 6.270 3.163 ( -1.116 1.578 -1.077) 2.212 3.218 ( 2.307 -3.824 -5.020) 6.719 3.345 ( 2.196 -0.842 -5.689) 6.156 3.534 ( -8.332 -1.103 1.504) 8.539 3.772 ( 1.006 -9.508 1.394) 9.663 3.971 ( -0.003 4.281 -2.992) 5.222 4.058 ( -4.329 2.185 1.232) 5.003 4.196 ( -1.263 1.193 1.871) 2.553 4.289 ( -0.267 4.047 -0.654) 4.108 4.515 ( -0.564 1.366 -0.628) 1.605 4.549 ( 4.251 0.055 -1.315) 4.450 4.586 ( -0.860 -1.183 -0.934) 1.735 4.685 ( 3.538 -5.140 1.417) 6.399 4.783 ( -0.703 -1.963 1.451) 2.541 4.834 ( -1.157 1.145 0.839) 1.831 4.878 ( 0.078 -2.754 1.023) 2.939 4.967 ( -1.626 1.307 -0.369) 2.119 5.017 ( 1.056 3.089 -1.569) 3.622 5.110 ( -1.075 4.373 0.812) 4.576 5.171 ( 2.468 0.679 -0.642) 2.639 5.286 ( -1.177 -1.476 -1.696) 2.538 5.350 ( -0.283 -0.784 0.557) 1.002 5.361 ( -4.756 2.317 0.953) 5.375 5.535 ( 2.993 -6.672 1.037) 7.386 5.624 ( -1.127 0.728 -0.012) 1.342 5.711 ( -1.961 0.138 0.476) 2.023 5.726 ( -1.076 0.443 1.500) 1.898 5.761 ( 2.495 1.497 1.377) 3.219 5.836 ( -0.875 5.299 -0.135) 5.372 6.220 ( 0.393 -2.401 -1.829) 3.044 ======================= Grid point 12 (9/116) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 14.006 7.184 2.144) 15.886 1.216 ( 14.889 1.534 2.369) 15.154 1.536 ( -6.928 2.992 -0.333) 7.554 1.706 ( 2.481 -3.470 6.215) 7.538 1.738 ( -8.665 6.447 -4.457) 11.684 1.998 ( 4.508 4.373 1.937) 6.573 2.137 ( 1.469 -2.713 -0.504) 3.126 2.211 ( 0.551 -0.733 0.210) 0.940 2.254 ( 2.516 -0.269 0.730) 2.633 2.319 ( -2.196 -0.968 -3.731) 4.436 2.382 ( -6.893 -2.726 2.171) 7.724 2.425 ( -2.614 1.311 -1.672) 3.369 2.511 ( -1.092 0.561 -2.015) 2.360 2.559 ( 0.902 3.689 -0.183) 3.802 2.590 ( 2.095 0.070 1.857) 2.800 2.758 ( 3.230 1.547 -1.651) 3.944 2.886 ( 2.444 -3.793 2.208) 5.023 3.081 ( -2.458 0.932 2.671) 3.747 3.151 ( -2.015 1.940 0.906) 2.940 3.239 ( 1.573 -4.146 -3.435) 5.609 3.372 ( 1.564 -0.666 -4.380) 4.698 3.388 ( -4.600 1.783 0.169) 4.936 3.767 ( -2.383 -7.238 2.326) 7.967 3.934 ( -3.080 3.860 -3.103) 5.832 3.988 ( -1.594 3.611 0.824) 4.032 4.187 ( -0.167 3.851 1.014) 3.986 4.298 ( 0.746 4.148 0.004) 4.215 4.494 ( -0.959 2.764 -0.413) 2.955 4.540 ( -2.054 -2.142 -0.655) 3.039 4.653 ( 5.192 -1.884 -1.322) 5.680 4.763 ( 3.288 -5.175 2.003) 6.450 4.785 ( 0.299 -2.067 0.379) 2.123 4.810 ( -1.042 -0.727 0.757) 1.479 4.879 ( -0.459 -3.082 1.105) 3.306 4.936 ( -0.885 1.990 -1.271) 2.521 5.053 ( 2.230 3.562 -0.740) 4.267 5.086 ( -1.520 2.896 1.286) 3.515 5.210 ( 1.081 -0.841 -0.243) 1.391 5.252 ( -1.699 1.002 -1.525) 2.493 5.288 ( -2.614 -2.049 0.085) 3.323 5.355 ( 0.664 -0.307 0.934) 1.187 5.576 ( 1.097 -5.828 0.888) 5.996 5.595 ( -1.477 -0.185 -0.397) 1.541 5.675 ( -1.479 2.628 -0.769) 3.113 5.706 ( -1.346 -0.763 1.745) 2.332 5.806 ( 1.795 1.594 0.735) 2.511 5.830 ( 0.015 3.902 0.317) 3.915 6.234 ( 0.904 -3.565 -0.824) 3.769 ======================= Grid point 13 (10/116) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 0.000 3.697 -0.000) 3.697 1.438 ( -0.000 3.168 -0.000) 3.168 1.444 ( 0.000 7.621 0.000) 7.621 1.554 ( 0.000 2.237 -0.000) 2.237 1.752 ( 0.000 -9.964 0.000) 9.964 2.049 ( 0.000 -0.774 0.000) 0.774 2.140 ( 0.000 3.695 -0.000) 3.695 2.266 ( -0.000 -5.396 -0.000) 5.396 2.268 ( 0.000 -0.676 0.000) 0.676 2.285 ( 0.000 -3.060 0.000) 3.060 2.289 ( 0.000 0.226 0.000) 0.226 2.400 ( -0.000 1.993 -0.000) 1.993 2.474 ( 0.000 0.703 -0.000) 0.703 2.551 ( 0.000 0.787 0.000) 0.787 2.679 ( 0.000 4.993 -0.000) 4.993 2.853 ( -0.000 9.807 0.000) 9.807 2.883 ( 0.000 -2.914 -0.000) 2.914 2.997 ( 0.000 0.318 -0.000) 0.318 3.118 ( -0.000 -1.515 -0.000) 1.515 3.253 ( 0.000 -4.671 -0.000) 4.671 3.356 ( 0.000 -2.918 0.000) 2.918 3.401 ( 0.000 4.421 0.000) 4.421 3.726 ( -0.000 -3.938 -0.000) 3.938 3.902 ( 0.000 1.172 0.000) 1.172 3.977 ( 0.000 4.536 0.000) 4.536 4.187 ( 0.000 4.413 0.000) 4.413 4.306 ( 0.000 4.981 -0.000) 4.981 4.486 ( 0.000 3.176 0.000) 3.176 4.516 ( 0.000 -3.313 0.000) 3.313 4.708 ( 0.000 -3.067 0.000) 3.067 4.788 ( 0.000 -1.988 -0.000) 1.988 4.790 ( 0.000 -0.496 0.000) 0.496 4.811 ( 0.000 -5.704 -0.000) 5.704 4.872 ( 0.000 -2.708 -0.000) 2.708 4.928 ( 0.000 2.037 0.000) 2.037 5.060 ( 0.000 -0.081 -0.000) 0.081 5.089 ( -0.000 6.482 0.000) 6.482 5.204 ( 0.000 -0.991 -0.000) 0.991 5.242 ( 0.000 0.957 -0.000) 0.957 5.264 ( 0.000 -3.875 -0.000) 3.875 5.367 ( 0.000 0.169 0.000) 0.169 5.571 ( 0.000 -0.818 -0.000) 0.818 5.593 ( 0.000 -5.440 0.000) 5.440 5.659 ( 0.000 3.713 0.000) 3.713 5.694 ( 0.000 -1.223 -0.000) 1.223 5.826 ( 0.000 4.639 -0.000) 4.639 5.830 ( 0.000 0.325 -0.000) 0.325 6.242 ( 0.000 -3.746 0.000) 3.746 ======================= Grid point 18 (11/116) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 21.523 0.000) 21.523 0.962 ( 0.000 23.696 0.000) 23.696 1.589 ( 0.000 28.598 0.000) 28.598 1.847 ( 0.000 1.028 0.000) 1.028 1.945 ( 0.000 -3.785 0.000) 3.785 2.057 ( 0.000 1.874 0.000) 1.874 2.085 ( 0.000 0.717 0.000) 0.717 2.208 ( 0.000 4.691 0.000) 4.691 2.255 ( 0.000 -7.670 0.000) 7.670 2.297 ( 0.000 1.858 0.000) 1.858 2.466 ( 0.000 4.158 0.000) 4.158 2.503 ( 0.000 -5.353 0.000) 5.353 2.526 ( 0.000 -1.785 0.000) 1.785 2.603 ( 0.000 1.070 0.000) 1.070 2.680 ( 0.000 -2.649 0.000) 2.649 2.787 ( 0.000 -0.212 0.000) 0.212 2.807 ( 0.000 1.821 0.000) 1.821 3.095 ( 0.000 -3.155 0.000) 3.155 3.154 ( 0.000 5.860 0.000) 5.860 3.202 ( 0.000 -5.826 0.000) 5.826 3.263 ( 0.000 4.786 0.000) 4.786 3.470 ( 0.000 -12.849 0.000) 12.849 3.587 ( 0.000 -6.315 0.000) 6.315 3.900 ( 0.000 -19.628 0.000) 19.628 4.057 ( 0.000 5.328 0.000) 5.328 4.251 ( 0.000 5.388 0.000) 5.388 4.332 ( 0.000 -0.210 0.000) 0.210 4.508 ( 0.000 -1.347 0.000) 1.347 4.538 ( 0.000 4.129 0.000) 4.129 4.561 ( 0.000 -1.965 0.000) 1.965 4.637 ( 0.000 4.110 0.000) 4.110 4.770 ( 0.000 -2.414 0.000) 2.414 4.918 ( 0.000 1.430 0.000) 1.430 4.931 ( 0.000 0.392 0.000) 0.392 4.973 ( 0.000 1.080 0.000) 1.080 5.001 ( 0.000 -0.515 0.000) 0.515 5.126 ( 0.000 -1.900 0.000) 1.900 5.185 ( 0.000 -1.718 0.000) 1.718 5.329 ( 0.000 -0.705 0.000) 0.705 5.345 ( 0.000 -0.110 0.000) 0.110 5.349 ( 0.000 2.670 0.000) 2.670 5.522 ( 0.000 -1.452 0.000) 1.452 5.624 ( 0.000 0.455 0.000) 0.455 5.698 ( 0.000 -1.155 0.000) 1.155 5.798 ( 0.000 0.651 0.000) 0.651 5.802 ( 0.000 5.359 0.000) 5.359 5.896 ( 0.000 4.084 0.000) 4.084 6.301 ( 0.000 -4.273 0.000) 4.273 ======================= Grid point 19 (12/116) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 3.461 19.958 3.868) 20.621 0.989 ( 4.865 21.135 2.806) 21.868 1.647 ( 3.918 18.687 2.578) 19.267 1.884 ( 3.212 1.624 -0.074) 3.600 1.936 ( -1.461 -4.735 1.290) 5.121 2.027 ( -2.576 3.803 0.522) 4.623 2.092 ( 0.518 5.404 -3.054) 6.229 2.214 ( -0.893 1.160 3.673) 3.954 2.225 ( -1.226 -1.044 -2.311) 2.817 2.312 ( 1.535 -2.206 0.005) 2.687 2.452 ( -0.512 5.195 -1.196) 5.355 2.499 ( -1.183 -5.926 1.115) 6.145 2.520 ( -0.395 -1.720 0.761) 1.922 2.582 ( -2.365 0.719 0.009) 2.472 2.657 ( -1.644 -1.476 -1.004) 2.426 2.754 ( -3.155 -1.245 -0.343) 3.409 2.827 ( 1.625 2.512 -2.519) 3.911 3.057 ( -1.896 -0.253 1.410) 2.376 3.126 ( -0.947 -2.790 -0.459) 2.982 3.211 ( 0.069 -1.698 -1.326) 2.156 3.275 ( 1.028 0.266 -2.965) 3.149 3.533 ( 3.767 -9.747 1.898) 10.620 3.578 ( -0.506 -3.801 0.354) 3.851 3.929 ( 3.099 -16.949 -1.549) 17.299 4.061 ( 0.466 5.359 0.315) 5.388 4.238 ( -0.790 3.758 0.439) 3.865 4.366 ( 1.950 2.062 2.327) 3.670 4.476 ( -2.078 -0.579 1.126) 2.433 4.546 ( 0.845 0.457 -1.991) 2.211 4.593 ( 2.784 -0.351 -0.968) 2.968 4.626 ( -0.359 4.538 -0.288) 4.561 4.778 ( 0.445 -2.883 0.412) 2.946 4.859 ( -4.786 2.416 -0.418) 5.378 4.914 ( -1.439 0.468 -0.203) 1.527 4.984 ( 0.621 0.731 1.243) 1.570 5.029 ( 1.988 0.214 -0.685) 2.114 5.118 ( -0.509 -1.738 -0.140) 1.817 5.205 ( 0.878 -0.915 0.367) 1.320 5.304 ( -1.571 0.908 -1.473) 2.337 5.335 ( 0.147 -0.324 -1.611) 1.649 5.385 ( 1.983 -1.215 2.049) 3.099 5.485 ( -3.780 -0.610 -0.302) 3.841 5.636 ( 0.685 0.378 1.336) 1.548 5.697 ( -0.301 -1.217 1.884) 2.263 5.781 ( -1.483 1.209 0.168) 1.921 5.805 ( 0.279 5.207 0.210) 5.218 5.903 ( 0.609 2.711 -0.860) 2.908 6.237 ( -5.206 -3.010 -1.312) 6.155 ======================= Grid point 20 (13/116) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 8.521 12.361 3.454) 15.406 1.154 ( 10.351 15.908 3.688) 19.334 1.688 ( -0.762 7.634 4.249) 8.770 1.815 ( -9.382 -2.998 3.291) 10.385 1.964 ( 1.643 -7.387 3.708) 8.427 2.005 ( 0.404 6.690 -3.924) 7.766 2.070 ( -2.563 10.788 -2.692) 11.410 2.189 ( -0.863 -2.781 0.614) 2.976 2.225 ( 0.731 1.216 2.081) 2.518 2.334 ( -0.697 -1.954 -5.412) 5.796 2.450 ( -4.378 -3.513 3.753) 6.752 2.495 ( 6.175 6.093 1.843) 8.868 2.502 ( -2.989 0.218 -0.601) 3.056 2.533 ( 0.527 -0.323 -4.974) 5.013 2.635 ( -1.263 1.333 0.895) 2.043 2.704 ( -0.257 -1.739 -1.348) 2.215 2.841 ( 0.530 1.774 -1.257) 2.238 3.067 ( 1.583 -1.107 2.645) 3.276 3.142 ( 2.742 -5.740 -3.824) 7.422 3.180 ( -1.946 -0.408 -1.793) 2.678 3.293 ( 0.672 -2.760 -1.620) 3.270 3.516 ( -2.850 -1.472 -0.994) 3.359 3.619 ( 1.748 -5.145 4.140) 6.831 3.989 ( 2.856 -9.003 -2.430) 9.753 4.074 ( 0.688 5.607 0.128) 5.651 4.234 ( 0.099 2.298 1.667) 2.841 4.368 ( -1.524 3.518 0.314) 3.847 4.479 ( 2.136 0.259 0.555) 2.222 4.563 ( 0.713 -1.777 -1.873) 2.678 4.632 ( 0.779 1.767 -0.321) 1.958 4.639 ( 2.045 2.419 0.595) 3.223 4.768 ( -2.002 0.070 1.185) 2.328 4.797 ( -0.401 -1.554 -0.558) 1.699 4.873 ( -3.105 0.212 0.673) 3.184 4.988 ( -0.267 0.582 -0.526) 0.829 5.053 ( 0.988 1.252 -1.470) 2.170 5.111 ( -0.879 -2.915 1.364) 3.336 5.208 ( 0.055 -0.026 -0.556) 0.560 5.274 ( -1.302 1.752 -1.588) 2.699 5.335 ( 0.308 -0.593 -0.409) 0.783 5.390 ( -5.777 0.522 0.002) 5.800 5.433 ( 2.462 -4.198 1.536) 5.103 5.636 ( -1.162 0.587 0.749) 1.502 5.691 ( -0.954 -1.354 1.709) 2.380 5.760 ( -0.602 2.176 -0.093) 2.259 5.814 ( 0.610 3.629 1.023) 3.820 5.903 ( -0.451 2.267 -0.365) 2.340 6.158 ( -2.155 -3.990 -1.162) 4.681 ======================= Grid point 21 (14/116) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 12.978 2.811 1.455) 13.359 1.349 ( 8.710 11.804 2.538) 14.888 1.633 ( -7.187 6.211 2.048) 9.717 1.659 ( -5.153 -2.178 3.748) 6.734 1.889 ( -9.061 8.137 -3.001) 12.543 2.010 ( 1.913 -6.985 2.910) 7.805 2.060 ( 0.822 -0.737 -0.342) 1.156 2.199 ( 0.410 -2.511 3.375) 4.227 2.243 ( 0.222 -0.380 0.009) 0.441 2.264 ( -3.204 -1.205 -5.489) 6.469 2.376 ( -3.097 0.741 0.620) 3.244 2.461 ( -1.330 2.536 -0.190) 2.870 2.508 ( -1.667 -0.511 -2.115) 2.741 2.577 ( -0.676 1.012 0.959) 1.550 2.683 ( 4.060 3.938 1.459) 5.841 2.779 ( 9.797 1.505 -5.255) 11.218 2.854 ( 1.790 0.509 -0.297) 1.885 3.080 ( -0.903 -0.875 0.986) 1.598 3.149 ( -1.317 -3.601 -0.624) 3.885 3.198 ( 2.419 -1.965 -2.294) 3.870 3.256 ( -4.263 -4.455 2.644) 6.709 3.497 ( 2.310 6.215 -4.068) 7.779 3.636 ( -0.891 -5.108 4.524) 6.881 3.997 ( -1.352 0.752 -1.613) 2.236 4.081 ( 0.124 5.863 -0.349) 5.875 4.243 ( 0.290 1.608 0.529) 1.718 4.366 ( 1.650 1.754 2.116) 3.206 4.505 ( -0.709 1.385 -3.270) 3.621 4.557 ( -0.621 -0.325 -0.376) 0.795 4.625 ( 0.097 0.973 0.408) 1.059 4.700 ( 3.284 -0.214 1.840) 3.771 4.766 ( 1.020 -0.091 0.259) 1.056 4.787 ( -1.192 -1.887 -0.018) 2.232 4.820 ( -1.856 -2.282 0.481) 2.980 4.979 ( -0.342 1.971 -0.474) 2.056 5.045 ( -2.247 -3.108 -1.061) 3.979 5.103 ( 0.818 -3.017 0.755) 3.216 5.207 ( -0.266 -1.054 -0.755) 1.323 5.240 ( -2.544 1.562 -0.533) 3.032 5.302 ( -2.502 2.054 -0.568) 3.286 5.353 ( 1.406 0.130 0.707) 1.579 5.474 ( 1.523 -4.691 0.832) 5.002 5.602 ( -2.084 0.684 0.062) 2.194 5.673 ( -1.005 -1.571 0.673) 1.983 5.751 ( -0.474 3.982 -0.172) 4.013 5.831 ( 0.741 1.552 1.068) 2.025 5.893 ( -0.382 2.306 0.142) 2.342 6.143 ( 0.162 -5.607 -0.649) 5.647 ======================= Grid point 22 (15/116) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( 0.000 9.244 0.000) 9.244 1.453 ( 0.000 -6.972 -0.000) 6.972 1.550 ( -0.000 7.812 0.000) 7.812 1.555 ( 0.000 2.193 -0.000) 2.193 1.782 ( 0.000 8.624 0.000) 8.624 2.020 ( 0.000 -2.108 -0.000) 2.108 2.087 ( -0.000 -7.405 -0.000) 7.405 2.179 ( 0.000 -6.387 0.000) 6.387 2.237 ( 0.000 0.497 0.000) 0.497 2.250 ( 0.000 0.301 -0.000) 0.301 2.348 ( 0.000 3.420 0.000) 3.420 2.450 ( 0.000 3.446 -0.000) 3.446 2.480 ( 0.000 0.485 -0.000) 0.485 2.571 ( 0.000 1.410 0.000) 1.410 2.716 ( 0.000 -0.922 -0.000) 0.922 2.845 ( 0.000 -1.092 0.000) 1.092 2.991 ( -0.000 -0.941 0.000) 0.941 3.043 ( 0.000 4.778 -0.000) 4.778 3.080 ( -0.000 -2.657 -0.000) 2.657 3.192 ( 0.000 2.639 -0.000) 2.639 3.246 ( 0.000 -8.389 0.000) 8.389 3.538 ( 0.000 10.061 0.000) 10.061 3.621 ( 0.000 -5.880 -0.000) 5.880 3.971 ( 0.000 4.071 0.000) 4.071 4.081 ( 0.000 5.860 0.000) 5.860 4.246 ( 0.000 0.740 0.000) 0.740 4.413 ( 0.000 5.377 0.000) 5.377 4.461 ( -0.000 -2.133 -0.000) 2.133 4.546 ( 0.000 1.685 0.000) 1.685 4.638 ( 0.000 -2.424 0.000) 2.424 4.742 ( 0.000 0.877 -0.000) 0.877 4.769 ( 0.000 -1.628 0.000) 1.628 4.780 ( 0.000 0.163 0.000) 0.163 4.804 ( 0.000 -4.200 -0.000) 4.200 4.977 ( 0.000 3.313 0.000) 3.313 5.009 ( 0.000 -5.455 0.000) 5.455 5.121 ( 0.000 -7.232 -0.000) 7.232 5.201 ( 0.000 5.160 -0.000) 5.160 5.202 ( -0.000 -2.135 0.000) 2.135 5.285 ( 0.000 2.424 -0.000) 2.424 5.372 ( 0.000 0.397 0.000) 0.397 5.490 ( 0.000 -4.564 -0.000) 4.564 5.579 ( 0.000 0.725 0.000) 0.725 5.663 ( 0.000 -1.826 -0.000) 1.826 5.745 ( 0.000 4.959 0.000) 4.959 5.840 ( 0.000 0.735 -0.000) 0.735 5.890 ( 0.000 2.249 -0.000) 2.249 6.146 ( 0.000 -6.044 0.000) 6.044 ======================= Grid point 27 (16/116) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 18.845 0.000) 18.845 1.387 ( 0.000 20.820 0.000) 20.820 1.575 ( 0.000 -13.848 0.000) 13.848 1.741 ( 0.000 -15.823 0.000) 15.823 2.012 ( 0.000 4.018 0.000) 4.018 2.058 ( 0.000 -1.435 0.000) 1.435 2.199 ( 0.000 1.985 0.000) 1.985 2.256 ( 0.000 -1.441 0.000) 1.441 2.351 ( 0.000 13.914 0.000) 13.914 2.367 ( 0.000 4.568 0.000) 4.568 2.427 ( 0.000 -0.075 0.000) 0.075 2.471 ( 0.000 -2.892 0.000) 2.892 2.595 ( 0.000 8.610 0.000) 8.610 2.613 ( 0.000 -0.640 0.000) 0.640 2.633 ( 0.000 3.961 0.000) 3.961 2.832 ( 0.000 3.466 0.000) 3.466 2.882 ( 0.000 4.852 0.000) 4.852 2.990 ( 0.000 -9.485 0.000) 9.485 3.075 ( 0.000 -5.484 0.000) 5.484 3.158 ( 0.000 -14.378 0.000) 14.378 3.271 ( 0.000 6.431 0.000) 6.431 3.361 ( 0.000 -0.023 0.000) 0.023 3.494 ( 0.000 -3.058 0.000) 3.058 3.545 ( 0.000 -12.815 0.000) 12.815 4.165 ( 0.000 6.010 0.000) 6.010 4.278 ( 0.000 -5.336 0.000) 5.336 4.367 ( 0.000 5.944 0.000) 5.944 4.458 ( 0.000 -3.441 0.000) 3.441 4.580 ( 0.000 1.794 0.000) 1.794 4.592 ( 0.000 1.041 0.000) 1.041 4.697 ( 0.000 2.491 0.000) 2.491 4.734 ( 0.000 -1.529 0.000) 1.529 4.929 ( 0.000 0.173 0.000) 0.173 4.934 ( 0.000 0.130 0.000) 0.130 4.994 ( 0.000 0.804 0.000) 0.804 5.005 ( 0.000 -0.036 0.000) 0.036 5.098 ( 0.000 0.287 0.000) 0.287 5.138 ( 0.000 -2.907 0.000) 2.907 5.323 ( 0.000 0.186 0.000) 0.186 5.334 ( 0.000 -0.785 0.000) 0.785 5.407 ( 0.000 3.245 0.000) 3.245 5.470 ( 0.000 -3.280 0.000) 3.280 5.644 ( 0.000 1.391 0.000) 1.391 5.672 ( 0.000 -1.476 0.000) 1.476 5.814 ( 0.000 0.963 0.000) 0.963 5.830 ( 0.000 -0.486 0.000) 0.486 6.044 ( 0.000 8.940 0.000) 8.940 6.196 ( 0.000 -6.815 0.000) 6.815 ======================= Grid point 28 (17/116) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 2.132 18.406 2.715) 18.727 1.379 ( 0.111 19.397 2.593) 19.570 1.603 ( 2.559 -13.617 2.214) 14.032 1.711 ( -3.397 -14.985 1.999) 15.494 1.983 ( -2.684 4.534 1.754) 5.554 2.055 ( -0.490 -2.704 -0.335) 2.768 2.216 ( 1.586 2.225 -0.157) 2.737 2.257 ( -0.738 -0.714 0.727) 1.258 2.318 ( -3.312 7.609 0.977) 8.356 2.367 ( -0.456 5.697 -1.989) 6.052 2.416 ( -1.569 -1.408 1.189) 2.420 2.467 ( -0.563 -3.359 0.350) 3.424 2.577 ( -1.461 3.054 -1.789) 3.829 2.617 ( 0.322 -1.517 -1.183) 1.951 2.657 ( 3.345 13.305 0.108) 13.720 2.782 ( -3.753 4.032 -2.706) 6.137 2.907 ( 1.374 4.622 -1.834) 5.159 2.982 ( -1.199 -8.352 -1.529) 8.575 3.018 ( -2.304 -3.275 -4.022) 5.675 3.156 ( -0.080 -13.346 -3.938) 13.915 3.261 ( 0.213 5.464 4.705) 7.214 3.387 ( 0.546 -6.851 6.772) 9.649 3.544 ( 5.339 0.856 -0.879) 5.478 3.633 ( 7.377 -10.150 -2.374) 12.771 4.170 ( 0.577 5.959 0.329) 5.996 4.268 ( -0.870 -2.906 0.217) 3.042 4.393 ( 2.316 2.561 1.943) 3.962 4.447 ( -1.108 -2.192 1.568) 2.914 4.577 ( 0.140 2.436 -2.941) 3.821 4.605 ( 1.569 -0.167 -3.011) 3.399 4.694 ( -0.279 2.654 1.182) 2.918 4.735 ( -0.007 -1.842 0.760) 1.993 4.902 ( -2.654 1.583 -0.581) 3.144 4.916 ( -1.426 0.030 0.048) 1.427 4.999 ( -0.082 1.111 0.116) 1.120 5.032 ( 1.640 -1.395 0.233) 2.165 5.093 ( -0.078 1.277 0.042) 1.280 5.153 ( 1.231 -3.681 0.285) 3.892 5.314 ( -0.217 0.611 -0.801) 1.030 5.331 ( -0.121 -0.912 -1.511) 1.769 5.397 ( -1.161 2.420 0.472) 2.725 5.449 ( -2.343 -2.643 -0.165) 3.536 5.651 ( 0.302 1.087 1.617) 1.971 5.674 ( -0.166 -1.267 1.823) 2.226 5.808 ( -0.496 1.563 -0.175) 1.650 5.835 ( 0.405 -0.902 -0.251) 1.020 6.017 ( -2.413 7.670 -0.325) 8.047 6.150 ( -4.171 -5.945 -0.533) 7.282 ======================= Grid point 29 (18/116) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 0.170 15.810 3.476) 16.189 1.457 ( 6.523 15.212 3.486) 16.915 1.607 ( -4.783 -14.865 2.966) 15.895 1.701 ( 4.051 -8.866 3.782) 10.456 1.921 ( -4.866 4.738 2.953) 7.406 2.035 ( -1.787 -5.080 -0.271) 5.392 2.181 ( -7.205 3.505 1.333) 8.123 2.235 ( -1.036 -0.880 0.358) 1.405 2.267 ( -2.126 6.020 -0.325) 6.393 2.331 ( -1.963 1.941 -3.924) 4.797 2.390 ( -1.006 -1.020 1.497) 2.072 2.456 ( 0.023 -3.907 -1.213) 4.091 2.548 ( -0.850 2.555 -2.590) 3.736 2.620 ( 0.387 -3.935 -1.616) 4.272 2.708 ( -2.317 7.670 -0.901) 8.063 2.751 ( 4.756 8.902 -1.673) 10.231 2.886 ( -1.194 2.350 -2.388) 3.557 2.983 ( 2.424 -7.077 -2.954) 8.043 3.030 ( 2.075 -1.422 -1.354) 2.857 3.118 ( -2.366 -7.767 -0.788) 8.158 3.309 ( 2.673 4.704 2.039) 5.782 3.425 ( 2.438 -6.642 2.803) 7.611 3.630 ( 3.766 4.919 0.976) 6.271 3.779 ( 8.127 -10.561 -1.215) 13.381 4.185 ( 0.517 5.451 0.678) 5.517 4.254 ( -0.649 -1.110 0.972) 1.611 4.417 ( -1.016 2.002 0.734) 2.363 4.462 ( 2.973 -2.899 1.421) 4.389 4.574 ( 0.385 3.659 -3.448) 5.042 4.632 ( 1.951 -1.695 -2.568) 3.643 4.696 ( 0.034 2.393 0.765) 2.512 4.737 ( 0.169 -2.086 0.634) 2.187 4.841 ( -3.285 3.701 -0.236) 4.954 4.879 ( -2.731 0.213 0.880) 2.877 4.983 ( -1.548 -0.195 -0.293) 1.588 5.029 ( -1.843 -4.326 0.210) 4.707 5.101 ( 0.247 3.369 -0.594) 3.430 5.170 ( 0.365 -3.187 -0.462) 3.241 5.317 ( -0.123 1.508 -0.799) 1.711 5.332 ( 0.720 0.087 -0.654) 0.976 5.376 ( -0.612 -1.222 0.986) 1.685 5.385 ( -3.692 -0.934 0.090) 3.810 5.649 ( -1.078 0.815 1.247) 1.839 5.667 ( -1.058 -1.092 1.607) 2.212 5.804 ( 0.351 2.445 -0.129) 2.473 5.843 ( 0.459 -1.046 0.098) 1.146 5.971 ( -2.176 5.096 -0.148) 5.543 6.071 ( -3.351 -5.094 -0.517) 6.119 ======================= Grid point 30 (19/116) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 3.412 8.002 1.839) 8.891 1.525 ( -3.123 -8.340 1.058) 8.968 1.594 ( 5.536 11.440 3.742) 13.249 1.784 ( 0.030 3.791 3.566) 5.205 1.833 ( -1.769 -5.410 3.100) 6.481 1.967 ( -5.167 -7.323 1.148) 9.036 2.062 ( -3.839 6.699 -0.456) 7.734 2.168 ( -4.751 -2.814 -2.518) 6.069 2.234 ( -0.877 2.371 -0.340) 2.551 2.288 ( -2.312 -0.603 -2.158) 3.219 2.392 ( 0.796 2.751 0.167) 2.868 2.465 ( 0.755 -2.665 -0.792) 2.880 2.534 ( -0.216 3.558 -1.514) 3.873 2.624 ( 0.256 -2.971 -1.114) 3.184 2.678 ( -0.525 5.224 0.084) 5.251 2.803 ( 0.790 -2.774 -1.656) 3.326 2.911 ( 4.153 4.634 -2.826) 6.834 3.015 ( 0.500 -8.445 0.320) 8.466 3.058 ( 0.733 -0.408 -0.372) 0.918 3.091 ( 0.082 -3.372 -1.198) 3.579 3.343 ( 0.500 7.360 1.728) 7.576 3.480 ( 2.421 -6.402 0.057) 6.844 3.708 ( 4.341 10.379 1.571) 11.359 3.911 ( 5.563 -9.297 -0.355) 10.840 4.185 ( -0.400 4.618 0.771) 4.699 4.245 ( -0.822 -1.454 0.676) 1.802 4.405 ( 0.201 3.735 0.467) 3.769 4.491 ( -0.929 -4.481 -1.335) 4.767 4.584 ( 1.506 4.964 -1.864) 5.512 4.665 ( 1.283 -1.209 -0.912) 1.985 4.691 ( 0.002 1.055 0.411) 1.132 4.743 ( 0.164 -2.542 0.081) 2.548 4.795 ( -1.428 3.100 -0.463) 3.444 4.833 ( -1.455 2.097 1.288) 2.859 4.935 ( -3.716 -3.106 0.540) 4.873 4.990 ( -1.709 -5.539 0.550) 5.823 5.082 ( -1.734 3.958 -1.128) 4.466 5.162 ( -0.930 -3.485 -0.459) 3.636 5.293 ( -1.385 2.584 -0.660) 3.006 5.323 ( -1.533 -0.268 -0.680) 1.699 5.363 ( 1.663 1.091 0.898) 2.183 5.399 ( 1.582 -2.952 1.020) 3.501 5.620 ( -1.848 1.103 0.211) 2.163 5.644 ( -1.427 -1.427 0.471) 2.072 5.819 ( 1.036 2.874 -0.060) 3.056 5.851 ( 0.246 -0.170 0.475) 0.561 5.940 ( -1.076 3.536 0.185) 3.700 6.032 ( -0.923 -5.727 -0.340) 5.810 ======================= Grid point 31 (20/116) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 0.000 1.963 0.000) 1.963 1.494 ( -0.000 -6.051 -0.000) 6.051 1.656 ( 0.000 11.092 -0.000) 11.092 1.732 ( 0.000 10.132 -0.000) 10.132 1.857 ( 0.000 -6.596 -0.000) 6.596 1.929 ( 0.000 -8.443 -0.000) 8.443 2.024 ( 0.000 5.547 0.000) 5.547 2.103 ( 0.000 -1.609 0.000) 1.609 2.232 ( 0.000 -0.318 -0.000) 0.318 2.254 ( -0.000 -1.544 0.000) 1.544 2.401 ( 0.000 3.494 -0.000) 3.494 2.472 ( 0.000 -2.277 0.000) 2.277 2.530 ( 0.000 4.858 0.000) 4.858 2.624 ( 0.000 -1.142 -0.000) 1.142 2.677 ( 0.000 3.154 0.000) 3.154 2.804 ( 0.000 -4.993 0.000) 4.993 2.969 ( 0.000 -0.422 -0.000) 0.422 3.003 ( -0.000 -3.556 0.000) 3.556 3.061 ( 0.000 0.111 -0.000) 0.111 3.099 ( 0.000 -4.977 0.000) 4.977 3.346 ( 0.000 9.296 -0.000) 9.296 3.503 ( 0.000 -6.998 0.000) 6.998 3.764 ( 0.000 12.666 -0.000) 12.666 3.965 ( 0.000 -6.480 0.000) 6.480 4.183 ( -0.000 4.340 -0.000) 4.340 4.231 ( 0.000 -1.123 0.000) 1.123 4.435 ( 0.000 -0.598 0.000) 0.598 4.446 ( -0.000 -1.469 -0.000) 1.469 4.601 ( 0.000 5.374 0.000) 5.374 4.664 ( 0.000 4.349 0.000) 4.349 4.705 ( 0.000 -5.103 -0.000) 5.103 4.741 ( -0.000 -2.746 -0.000) 2.746 4.787 ( 0.000 2.032 0.000) 2.032 4.839 ( 0.000 6.558 0.000) 6.558 4.875 ( -0.000 -7.293 -0.000) 7.293 4.976 ( 0.000 -7.544 -0.000) 7.544 5.059 ( 0.000 5.081 0.000) 5.081 5.150 ( 0.000 -3.887 -0.000) 3.887 5.279 ( 0.000 2.944 0.000) 2.944 5.310 ( 0.000 -0.102 -0.000) 0.102 5.384 ( 0.000 1.003 0.000) 1.003 5.418 ( 0.000 -2.802 -0.000) 2.802 5.599 ( 0.000 1.354 0.000) 1.354 5.629 ( 0.000 -1.734 -0.000) 1.734 5.832 ( 0.000 3.268 0.000) 3.268 5.853 ( 0.000 0.338 -0.000) 0.338 5.930 ( 0.000 2.987 0.000) 2.987 6.025 ( 0.000 -6.269 -0.000) 6.269 ======================= Grid point 63 (21/116) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.415 ( 0.218 0.000 20.339) 20.340 0.480 ( -0.837 0.000 23.310) 23.325 0.812 ( 1.469 0.000 39.176) 39.203 1.864 ( -3.463 0.000 -4.064) 5.339 1.893 ( -1.048 0.000 0.877) 1.367 1.984 ( 3.390 0.000 1.265) 3.618 2.144 ( -2.376 0.000 -7.237) 7.617 2.266 ( 1.656 0.000 1.609) 2.309 2.286 ( 0.532 0.000 2.924) 2.972 2.426 ( -0.994 0.000 -2.558) 2.744 2.463 ( 0.115 0.000 -1.467) 1.471 2.473 ( 3.826 0.000 7.140) 8.101 2.634 ( 0.079 0.000 -1.329) 1.332 2.650 ( -0.645 0.000 -4.029) 4.080 2.778 ( 3.329 0.000 -3.598) 4.902 2.802 ( 0.299 0.000 1.978) 2.001 2.864 ( 2.158 0.000 1.357) 2.550 2.967 ( 0.160 0.000 6.624) 6.626 3.034 ( -1.159 0.000 1.264) 1.715 3.104 ( 0.776 0.000 -4.585) 4.650 3.322 ( -5.710 0.000 1.046) 5.805 3.706 ( 2.481 0.000 -1.935) 3.146 3.876 ( -2.620 0.000 -5.952) 6.503 3.952 ( -0.460 0.000 0.689) 0.828 4.049 ( 1.993 0.000 3.682) 4.186 4.203 ( -0.720 0.000 -0.674) 0.986 4.362 ( -0.437 0.000 1.331) 1.401 4.381 ( 2.606 0.000 -1.883) 3.215 4.558 ( -4.924 0.000 0.235) 4.930 4.645 ( 1.933 0.000 -3.640) 4.121 4.685 ( -0.213 0.000 -0.775) 0.803 4.773 ( 3.323 0.000 -1.779) 3.769 4.818 ( 0.707 0.000 1.287) 1.468 4.889 ( 0.167 0.000 0.587) 0.611 4.922 ( 0.564 0.000 -2.343) 2.409 5.089 ( -4.135 0.000 -0.535) 4.169 5.102 ( -0.413 0.000 0.244) 0.480 5.186 ( -3.957 0.000 0.742) 4.026 5.265 ( 2.311 0.000 0.580) 2.382 5.384 ( 0.510 0.000 1.585) 1.665 5.419 ( -0.673 0.000 -2.652) 2.736 5.597 ( 0.459 0.000 0.009) 0.459 5.629 ( 0.497 0.000 0.207) 0.538 5.699 ( 0.440 0.000 -0.078) 0.447 5.768 ( 0.501 0.000 -1.697) 1.770 5.770 ( 1.853 0.000 2.612) 3.202 5.811 ( 11.968 0.000 -0.088) 11.969 5.911 ( -11.403 0.000 0.783) 11.430 ======================= Grid point 64 (22/116) ======================= q-point: ( 0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 11.164 0.000 14.149) 18.023 0.686 ( 14.748 0.000 16.759) 22.324 1.128 ( 19.553 0.000 30.895) 36.562 1.757 ( -6.629 0.000 -5.179) 8.412 1.878 ( -1.342 0.000 1.282) 1.856 2.016 ( -0.179 0.000 1.533) 1.543 2.072 ( -3.163 0.000 -7.504) 8.143 2.248 ( -2.545 0.000 4.420) 5.100 2.296 ( 1.204 0.000 4.158) 4.329 2.400 ( -1.148 0.000 -2.973) 3.187 2.454 ( -0.712 0.000 -1.652) 1.798 2.550 ( 2.396 0.000 8.428) 8.762 2.582 ( -5.554 0.000 -1.829) 5.848 2.654 ( 1.770 0.000 -4.333) 4.681 2.776 ( -2.969 0.000 4.336) 5.255 2.820 ( -0.507 0.000 -2.507) 2.558 2.924 ( 3.679 0.000 0.634) 3.733 2.933 ( -3.062 0.000 6.259) 6.968 3.104 ( 4.990 0.000 -3.993) 6.391 3.138 ( 2.655 0.000 -3.753) 4.598 3.213 ( -4.694 0.000 -2.581) 5.356 3.695 ( -3.696 0.000 -0.500) 3.730 3.840 ( 0.763 0.000 -7.765) 7.802 3.922 ( -2.420 0.000 0.029) 2.420 4.081 ( 0.998 0.000 3.029) 3.190 4.214 ( 1.779 0.000 -0.812) 1.955 4.304 ( -8.220 0.000 1.423) 8.342 4.375 ( 1.847 0.000 -0.735) 1.987 4.524 ( 0.005 0.000 -1.187) 1.187 4.670 ( -1.739 0.000 0.724) 1.883 4.698 ( 4.107 0.000 -2.688) 4.908 4.827 ( -1.254 0.000 0.601) 1.391 4.829 ( 0.176 0.000 2.021) 2.028 4.879 ( 4.237 0.000 -2.129) 4.742 4.906 ( -1.715 0.000 -4.145) 4.486 5.024 ( -2.038 0.000 1.103) 2.317 5.076 ( -1.679 0.000 2.352) 2.889 5.169 ( 1.032 0.000 4.289) 4.411 5.292 ( 0.020 0.000 -0.728) 0.728 5.376 ( -2.504 0.000 -2.644) 3.642 5.393 ( -0.148 0.000 1.957) 1.963 5.612 ( 0.031 0.000 -0.612) 0.613 5.651 ( 2.005 0.000 1.713) 2.637 5.724 ( 2.046 0.000 0.549) 2.119 5.735 ( -2.118 0.000 -0.960) 2.325 5.779 ( -4.334 0.000 3.148) 5.357 5.798 ( 0.368 0.000 3.108) 3.130 6.021 ( 9.123 0.000 -9.222) 12.972 ======================= Grid point 65 (23/116) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 16.959 0.000 7.497) 18.542 1.019 ( 16.166 0.000 10.728) 19.402 1.588 ( 22.020 0.000 21.352) 30.672 1.607 ( -7.659 0.000 -5.030) 9.163 1.817 ( -6.108 0.000 2.518) 6.607 1.987 ( -3.140 0.000 1.813) 3.626 2.016 ( -0.780 0.000 -7.861) 7.899 2.232 ( -0.224 0.000 3.641) 3.647 2.334 ( 0.929 0.000 4.264) 4.364 2.371 ( -1.158 0.000 -3.046) 3.259 2.410 ( -4.332 0.000 -0.829) 4.411 2.464 ( -3.857 0.000 -0.796) 3.938 2.603 ( 0.978 0.000 8.099) 8.158 2.686 ( -7.509 0.000 5.771) 9.470 2.687 ( 2.439 0.000 -1.689) 2.967 2.736 ( -7.004 0.000 0.717) 7.041 2.940 ( 1.681 0.000 1.760) 2.434 3.019 ( 6.956 0.000 -2.502) 7.392 3.119 ( -2.077 0.000 -3.272) 3.875 3.158 ( 1.447 0.000 -3.774) 4.042 3.204 ( 2.946 0.000 -3.769) 4.783 3.567 ( -9.317 0.000 -0.599) 9.337 3.857 ( 2.235 0.000 -6.666) 7.030 3.866 ( -3.566 0.000 -1.199) 3.763 4.107 ( 0.201 0.000 5.755) 5.758 4.153 ( -6.852 0.000 -0.588) 6.877 4.245 ( 1.151 0.000 0.478) 1.247 4.439 ( 5.790 0.000 -4.909) 7.591 4.501 ( -1.860 0.000 -0.440) 1.912 4.637 ( -2.017 0.000 2.477) 3.195 4.770 ( 3.550 0.000 -2.481) 4.331 4.817 ( 0.240 0.000 0.516) 0.569 4.837 ( 0.522 0.000 1.546) 1.632 4.858 ( -1.818 0.000 -3.986) 4.382 4.954 ( 2.871 0.000 -1.161) 3.097 5.009 ( -0.483 0.000 2.188) 2.241 5.067 ( 0.229 0.000 2.553) 2.563 5.202 ( 1.400 0.000 2.646) 2.994 5.260 ( -2.719 0.000 -2.019) 3.387 5.334 ( -1.412 0.000 -1.063) 1.768 5.385 ( -1.086 0.000 1.473) 1.830 5.599 ( -0.850 0.000 -0.954) 1.278 5.696 ( 1.955 0.000 1.996) 2.794 5.696 ( -2.416 0.000 -1.457) 2.821 5.724 ( -1.765 0.000 2.427) 3.001 5.766 ( 1.904 0.000 0.639) 2.008 5.797 ( -0.949 0.000 2.439) 2.617 6.130 ( 5.193 0.000 -7.983) 9.523 ======================= Grid point 66 (24/116) ======================= q-point: ( 0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 15.165 0.000 5.260) 16.052 1.300 ( 10.443 0.000 7.530) 12.874 1.464 ( -6.088 0.000 -2.823) 6.711 1.675 ( -8.773 0.000 4.027) 9.653 1.927 ( -2.515 0.000 0.481) 2.561 1.979 ( 0.415 0.000 -4.784) 4.802 2.017 ( 15.757 0.000 11.295) 19.387 2.251 ( 1.253 0.000 1.312) 1.814 2.263 ( -4.303 0.000 -5.258) 6.794 2.350 ( -0.040 0.000 -1.662) 1.663 2.401 ( -3.915 0.000 0.619) 3.963 2.441 ( 3.311 0.000 10.513) 11.022 2.544 ( -7.821 0.000 5.878) 9.784 2.618 ( -4.640 0.000 -0.004) 4.640 2.631 ( 0.925 0.000 6.210) 6.279 2.723 ( 0.851 0.000 0.413) 0.946 2.960 ( 0.048 0.000 -2.071) 2.071 3.093 ( 0.024 0.000 -4.109) 4.109 3.103 ( -8.201 0.000 -0.438) 8.213 3.167 ( 9.061 0.000 -6.444) 11.119 3.264 ( 3.925 0.000 -0.216) 3.931 3.404 ( -5.166 0.000 -1.487) 5.376 3.777 ( -5.343 0.000 -2.144) 5.757 3.880 ( 1.467 0.000 -4.366) 4.605 4.035 ( -4.382 0.000 3.415) 5.556 4.143 ( 1.052 0.000 3.091) 3.265 4.258 ( 0.236 0.000 0.991) 1.019 4.469 ( -1.414 0.000 0.401) 1.470 4.551 ( 6.785 0.000 -7.264) 9.940 4.605 ( -1.874 0.000 2.334) 2.993 4.794 ( -0.201 0.000 -2.527) 2.535 4.822 ( 0.064 0.000 0.358) 0.363 4.831 ( -0.299 0.000 -2.436) 2.454 4.866 ( 2.016 0.000 -1.441) 2.477 4.975 ( -0.053 0.000 -0.766) 0.768 5.004 ( -0.788 0.000 3.162) 3.259 5.088 ( 0.781 0.000 3.305) 3.396 5.207 ( -1.895 0.000 -1.505) 2.420 5.236 ( 1.840 0.000 0.803) 2.008 5.316 ( -0.425 0.000 0.161) 0.454 5.361 ( -1.621 0.000 -0.093) 1.624 5.582 ( -0.590 0.000 -1.033) 1.190 5.640 ( -2.730 0.000 -0.220) 2.739 5.720 ( 0.348 0.000 1.158) 1.209 5.725 ( 0.665 0.000 1.427) 1.574 5.762 ( -2.269 0.000 2.985) 3.749 5.803 ( 0.950 0.000 -1.504) 1.779 6.191 ( 3.203 0.000 -6.370) 7.130 ======================= Grid point 67 (25/116) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -5.901 0.000 1.830) 6.179 1.336 ( -4.756 0.000 0.240) 4.762 1.461 ( 3.170 0.000 4.063) 5.154 1.626 ( 6.193 0.000 9.350) 11.215 1.893 ( -6.911 0.000 -4.833) 8.433 1.924 ( 1.766 0.000 -1.279) 2.180 2.190 ( -3.811 0.000 -3.384) 5.096 2.248 ( 1.433 0.000 -3.889) 4.144 2.282 ( 4.690 0.000 10.697) 11.680 2.312 ( -2.959 0.000 4.491) 5.378 2.384 ( 2.983 0.000 -0.052) 2.983 2.451 ( -1.615 0.000 2.119) 2.664 2.541 ( 1.827 0.000 3.440) 3.895 2.592 ( 2.908 0.000 6.746) 7.346 2.615 ( -8.583 0.000 5.549) 10.221 2.750 ( 4.328 0.000 -1.159) 4.481 2.924 ( -5.350 0.000 -0.228) 5.354 2.931 ( -2.236 0.000 -4.351) 4.892 3.094 ( 0.909 0.000 -3.909) 4.013 3.260 ( 1.066 0.000 -6.596) 6.682 3.341 ( 3.686 0.000 2.810) 4.635 3.406 ( 4.069 0.000 -0.623) 4.116 3.699 ( -0.487 0.000 -2.805) 2.847 3.894 ( 1.021 0.000 -2.848) 3.025 3.992 ( -1.273 0.000 3.044) 3.300 4.163 ( -0.119 0.000 4.570) 4.572 4.264 ( 0.226 0.000 1.133) 1.156 4.448 ( -0.638 0.000 -0.442) 0.776 4.587 ( -0.326 0.000 2.074) 2.099 4.634 ( 3.295 0.000 -7.448) 8.144 4.773 ( -1.034 0.000 -3.579) 3.726 4.821 ( -0.247 0.000 0.590) 0.640 4.828 ( 0.548 0.000 -2.019) 2.092 4.875 ( -0.950 0.000 -3.089) 3.232 4.953 ( -1.842 0.000 -2.084) 2.781 4.999 ( -0.432 0.000 4.677) 4.697 5.104 ( 0.135 0.000 3.973) 3.975 5.196 ( 1.102 0.000 -0.762) 1.340 5.267 ( 0.705 0.000 1.733) 1.871 5.319 ( 0.512 0.000 1.213) 1.316 5.324 ( -1.747 0.000 -2.969) 3.445 5.577 ( 0.436 0.000 -0.917) 1.016 5.611 ( -0.092 0.000 0.290) 0.304 5.718 ( -2.084 0.000 1.183) 2.397 5.733 ( -0.161 0.000 1.135) 1.146 5.733 ( -0.021 0.000 1.160) 1.160 5.801 ( -0.789 0.000 -2.281) 2.413 6.222 ( 1.552 0.000 -5.248) 5.472 ======================= Grid point 68 (26/116) ======================= q-point: (-0.38 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -15.424 0.000 3.289) 15.771 1.210 ( -10.344 0.000 3.161) 10.816 1.538 ( 6.070 0.000 0.170) 6.072 1.678 ( -16.112 0.000 1.207) 16.157 1.812 ( 8.297 0.000 9.150) 12.352 1.939 ( -0.752 0.000 1.011) 1.260 2.120 ( -0.802 0.000 -2.877) 2.986 2.220 ( -2.906 0.000 -0.540) 2.955 2.328 ( -6.345 0.000 -1.269) 6.471 2.346 ( 3.446 0.000 3.109) 4.641 2.391 ( 1.225 0.000 6.917) 7.024 2.470 ( 2.726 0.000 0.580) 2.787 2.471 ( -2.085 0.000 1.315) 2.466 2.577 ( 3.992 0.000 -1.184) 4.164 2.702 ( 4.507 0.000 10.715) 11.624 2.764 ( -1.904 0.000 1.934) 2.714 2.865 ( -3.345 0.000 -4.960) 5.982 2.947 ( 1.568 0.000 -4.917) 5.161 3.105 ( 1.016 0.000 -3.431) 3.578 3.270 ( 4.571 0.000 -5.316) 7.011 3.404 ( 1.959 0.000 4.344) 4.766 3.440 ( -0.545 0.000 0.608) 0.817 3.774 ( 7.359 0.000 -4.432) 8.590 3.911 ( 1.474 0.000 -2.061) 2.534 4.000 ( 1.676 0.000 3.330) 3.728 4.149 ( -2.235 0.000 3.388) 4.059 4.269 ( -0.190 0.000 1.197) 1.212 4.462 ( 2.440 0.000 -0.274) 2.455 4.602 ( 1.315 0.000 1.969) 2.368 4.626 ( -2.617 0.000 -5.629) 6.208 4.742 ( -1.463 0.000 -4.266) 4.510 4.817 ( -0.446 0.000 0.959) 1.058 4.823 ( -2.509 0.000 -2.274) 3.386 4.850 ( 1.656 0.000 -2.776) 3.233 4.904 ( -2.545 0.000 -3.233) 4.115 5.014 ( 0.898 0.000 5.456) 5.529 5.113 ( -0.114 0.000 3.917) 3.919 5.237 ( 3.116 0.000 -1.510) 3.462 5.241 ( -3.368 0.000 1.218) 3.582 5.311 ( 0.960 0.000 -2.271) 2.466 5.334 ( 0.479 0.000 2.050) 2.106 5.595 ( 1.492 0.000 -0.406) 1.546 5.633 ( 1.930 0.000 0.148) 1.936 5.683 ( -1.434 0.000 -0.238) 1.454 5.719 ( -0.830 0.000 -0.084) 0.834 5.744 ( 0.374 0.000 1.551) 1.595 5.764 ( -2.502 0.000 -2.607) 3.614 6.226 ( 0.032 0.000 -4.669) 4.670 ======================= Grid point 69 (27/116) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -17.827 0.000 4.747) 18.448 0.954 ( -17.622 0.000 8.155) 19.417 1.313 ( -23.085 0.000 13.457) 26.721 1.697 ( 10.290 0.000 -2.212) 10.525 1.921 ( -0.797 0.000 0.487) 0.934 1.931 ( 1.769 0.000 6.329) 6.571 2.144 ( -3.020 0.000 4.757) 5.635 2.150 ( 3.564 0.000 -2.021) 4.097 2.240 ( -1.555 0.000 -7.412) 7.573 2.413 ( 3.031 0.000 0.647) 3.100 2.435 ( 0.301 0.000 8.890) 8.895 2.458 ( -0.298 0.000 -1.352) 1.384 2.523 ( 3.074 0.000 -0.335) 3.092 2.702 ( 8.065 0.000 -0.080) 8.065 2.736 ( -1.577 0.000 1.606) 2.251 2.766 ( -1.032 0.000 2.010) 2.260 2.811 ( 0.270 0.000 2.355) 2.370 2.887 ( -4.111 0.000 -5.720) 7.045 3.116 ( 0.896 0.000 -3.165) 3.289 3.333 ( -2.373 0.000 -2.647) 3.555 3.429 ( -0.491 0.000 4.630) 4.656 3.476 ( 7.816 0.000 -5.040) 9.300 3.871 ( 3.381 0.000 -1.655) 3.764 3.936 ( 1.304 0.000 -1.869) 2.279 4.054 ( -0.431 0.000 7.122) 7.135 4.141 ( 4.800 0.000 -3.865) 6.163 4.259 ( -1.134 0.000 0.987) 1.503 4.523 ( -6.709 0.000 -2.402) 7.126 4.526 ( 3.447 0.000 2.176) 4.076 4.646 ( 3.272 0.000 0.755) 3.358 4.693 ( -2.407 0.000 -4.945) 5.500 4.791 ( -0.136 0.000 -1.766) 1.771 4.808 ( -0.692 0.000 0.850) 1.096 4.850 ( -2.371 0.000 -3.759) 4.445 4.882 ( 1.925 0.000 -2.050) 2.812 5.058 ( 2.522 0.000 5.129) 5.715 5.116 ( -0.531 0.000 3.104) 3.149 5.186 ( -2.060 0.000 1.934) 2.825 5.281 ( 0.927 0.000 -2.864) 3.011 5.331 ( 1.380 0.000 -0.112) 1.385 5.350 ( 1.424 0.000 2.082) 2.522 5.617 ( 0.451 0.000 -0.159) 0.478 5.662 ( 0.668 0.000 0.608) 0.903 5.674 ( 0.370 0.000 -0.653) 0.751 5.699 ( -1.739 0.000 -3.119) 3.572 5.710 ( -1.298 0.000 0.264) 1.325 5.758 ( 0.860 0.000 1.065) 1.369 6.201 ( -1.659 0.000 -5.235) 5.492 ======================= Grid point 70 (28/116) ======================= q-point: (-0.12 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -13.779 0.000 11.756) 18.113 0.635 ( -17.388 0.000 15.708) 23.432 0.941 ( -19.852 0.000 29.123) 35.246 1.873 ( 7.892 0.000 -2.847) 8.390 1.910 ( -0.557 0.000 0.333) 0.649 1.921 ( -2.190 0.000 1.998) 2.964 2.174 ( 3.984 0.000 4.779) 6.222 2.199 ( -1.089 0.000 -3.384) 3.555 2.217 ( 3.408 0.000 -0.394) 3.430 2.439 ( -0.792 0.000 3.792) 3.874 2.450 ( -0.751 0.000 1.399) 1.588 2.454 ( 1.315 0.000 -1.049) 1.682 2.595 ( 4.162 0.000 -1.011) 4.283 2.693 ( -2.846 0.000 -1.857) 3.399 2.731 ( 0.434 0.000 -4.050) 4.074 2.798 ( 0.817 0.000 1.253) 1.495 2.840 ( 0.328 0.000 -1.269) 1.311 2.887 ( 5.552 0.000 6.231) 8.346 3.117 ( -0.151 0.000 -3.505) 3.508 3.195 ( -10.209 0.000 -6.725) 12.225 3.403 ( -3.322 0.000 3.596) 4.896 3.620 ( 7.182 0.000 -4.105) 8.272 3.922 ( 2.603 0.000 1.566) 3.037 3.933 ( -1.459 0.000 -3.294) 3.603 4.029 ( -1.767 0.000 6.026) 6.279 4.233 ( -1.795 0.000 0.492) 1.861 4.275 ( 7.921 0.000 -3.777) 8.775 4.403 ( -4.731 0.000 0.173) 4.734 4.579 ( 1.431 0.000 3.929) 4.181 4.647 ( -0.979 0.000 -4.619) 4.722 4.710 ( 1.802 0.000 -2.324) 2.941 4.772 ( -3.106 0.000 -2.934) 4.273 4.799 ( 0.984 0.000 -0.306) 1.030 4.834 ( 2.672 0.000 0.577) 2.733 4.908 ( 1.311 0.000 -1.684) 2.134 5.107 ( -0.543 0.000 0.472) 0.720 5.118 ( 1.752 0.000 2.984) 3.460 5.193 ( 1.686 0.000 3.851) 4.203 5.253 ( -1.790 0.000 -1.463) 2.312 5.361 ( 1.563 0.000 1.342) 2.060 5.399 ( 2.750 0.000 -0.647) 2.825 5.617 ( -0.625 0.000 -0.643) 0.897 5.629 ( -1.928 0.000 -1.622) 2.520 5.669 ( 0.764 0.000 3.495) 3.577 5.700 ( -0.256 0.000 -0.289) 0.386 5.723 ( 2.477 0.000 1.261) 2.780 5.776 ( 0.708 0.000 -0.182) 0.731 6.119 ( -6.742 0.000 -7.351) 9.974 ======================= Grid point 71 (29/116) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( 3.039 18.382 11.901) 22.108 0.669 ( 1.107 15.476 16.957) 22.985 1.153 ( -0.706 29.257 25.139) 38.581 1.874 ( -1.663 1.368 -4.718) 5.186 1.899 ( -0.392 0.599 2.590) 2.687 2.024 ( 1.293 3.178 1.146) 3.617 2.141 ( -2.330 -0.808 -5.461) 5.992 2.199 ( 1.522 -4.095 -0.532) 4.401 2.239 ( 1.555 -2.917 5.072) 6.054 2.393 ( -0.151 -4.592 -2.414) 5.190 2.433 ( 0.849 -0.167 2.568) 2.710 2.497 ( -0.729 -1.008 -1.776) 2.169 2.557 ( 1.717 -3.318 -2.192) 4.331 2.641 ( 1.355 -1.452 -1.203) 2.322 2.781 ( 0.306 -0.940 2.662) 2.839 2.810 ( -3.982 0.921 2.632) 4.862 2.845 ( 0.056 -3.855 2.033) 4.358 2.985 ( 5.456 6.080 -2.804) 8.637 3.096 ( -0.207 -0.371 -2.944) 2.975 3.158 ( -0.867 6.301 1.394) 6.511 3.297 ( -4.896 -2.043 1.151) 5.429 3.668 ( 1.493 -5.154 -2.251) 5.819 3.719 ( -1.905 -10.257 -0.752) 10.460 3.968 ( -0.593 2.180 0.272) 2.275 4.119 ( 0.162 3.866 2.467) 4.589 4.190 ( 0.025 0.328 -0.297) 0.443 4.371 ( 5.355 -5.523 -3.968) 8.656 4.454 ( -3.890 2.902 -0.163) 4.856 4.503 ( -0.558 4.628 0.383) 4.677 4.595 ( -0.349 -3.696 3.332) 4.988 4.663 ( 0.816 -5.706 -1.036) 5.857 4.817 ( -0.778 5.202 -1.889) 5.589 4.861 ( -0.824 0.220 -0.045) 0.854 4.909 ( 0.753 0.171 0.925) 1.205 4.928 ( 2.824 2.970 -2.669) 4.891 5.050 ( -2.093 -2.235 0.137) 3.065 5.134 ( -1.168 1.430 0.104) 1.849 5.188 ( -1.216 0.207 -0.521) 1.339 5.290 ( -0.793 0.037 -0.729) 1.078 5.364 ( -0.189 -1.774 1.026) 2.059 5.421 ( 2.806 -3.449 2.192) 4.957 5.480 ( -0.064 1.124 1.909) 2.216 5.625 ( 1.300 -0.442 -0.195) 1.387 5.682 ( 0.546 1.010 -2.110) 2.403 5.740 ( 1.389 -0.143 2.066) 2.493 5.777 ( 1.187 0.874 -0.854) 1.704 5.872 ( -0.834 0.715 0.235) 1.124 6.112 ( -1.494 9.142 -12.066) 15.211 ======================= Grid point 72 (30/116) ======================= q-point: ( 0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 6.855 15.367 10.711) 19.947 0.814 ( 10.546 12.267 14.279) 21.577 1.370 ( 15.279 22.053 22.714) 35.153 1.799 ( -5.040 4.118 -5.201) 8.331 1.902 ( -0.352 2.622 1.429) 3.007 2.027 ( -1.309 0.651 1.779) 2.303 2.075 ( -3.045 -0.061 -6.173) 6.883 2.218 ( 0.390 -3.604 1.996) 4.138 2.258 ( 0.047 -1.891 4.083) 4.500 2.359 ( -2.126 -4.522 -2.675) 5.668 2.467 ( 1.096 0.130 0.076) 1.106 2.483 ( -0.291 -3.208 -0.409) 3.248 2.599 ( 1.388 -1.150 1.519) 2.357 2.617 ( -1.873 -1.937 -3.224) 4.202 2.746 ( -3.873 -3.619 5.323) 7.512 2.781 ( -1.615 -1.621 -0.307) 2.309 2.852 ( -0.056 -2.864 3.994) 4.915 3.028 ( 1.525 4.237 -1.853) 4.870 3.127 ( 1.265 1.090 0.065) 1.671 3.165 ( 2.706 1.580 -4.596) 5.563 3.205 ( -4.698 0.373 -0.362) 4.727 3.654 ( -3.085 -4.235 -1.177) 5.370 3.716 ( 2.557 -8.487 -2.839) 9.307 3.952 ( -1.233 2.831 -0.330) 3.106 4.132 ( 0.601 2.107 2.094) 3.031 4.208 ( 1.507 0.468 0.206) 1.592 4.337 ( -6.877 1.109 -0.281) 6.972 4.462 ( 4.238 -1.501 -4.054) 6.054 4.491 ( -0.638 8.460 -0.373) 8.493 4.594 ( -0.416 -6.052 3.462) 6.984 4.682 ( 1.098 -5.079 0.657) 5.238 4.823 ( -1.413 1.428 -1.508) 2.512 4.839 ( 1.521 1.143 0.350) 1.935 4.898 ( -1.089 0.201 1.943) 2.236 4.943 ( -0.563 2.668 -4.388) 5.166 5.013 ( -0.780 -0.306 0.520) 0.986 5.119 ( -0.447 3.563 -0.304) 3.604 5.180 ( 0.363 0.887 3.185) 3.327 5.277 ( -0.975 -1.848 -1.520) 2.584 5.359 ( -0.602 -1.808 -0.071) 1.907 5.427 ( -1.992 2.242 -1.824) 3.510 5.520 ( 2.817 -6.406 4.097) 8.109 5.639 ( -0.247 0.860 0.020) 0.895 5.708 ( 2.631 1.428 -1.439) 3.322 5.756 ( -0.551 -0.172 0.607) 0.838 5.779 ( -0.800 0.096 2.237) 2.377 5.851 ( -0.933 2.249 0.013) 2.435 6.084 ( 1.572 4.341 -9.619) 10.669 ======================= Grid point 73 (31/116) ======================= q-point: ( 0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 13.659 7.940 6.664) 17.147 1.076 ( 13.194 6.850 10.720) 18.328 1.656 ( -4.662 5.999 0.366) 7.606 1.731 ( 11.724 10.821 11.329) 19.568 1.856 ( -5.580 4.354 1.522) 7.240 1.992 ( -2.045 0.294 2.138) 2.973 2.028 ( 0.300 1.540 -6.110) 6.308 2.225 ( 0.191 -1.408 1.863) 2.343 2.280 ( 0.480 -3.317 2.305) 4.068 2.319 ( -0.873 -5.508 0.856) 5.642 2.426 ( -4.623 0.676 -3.349) 5.749 2.474 ( -0.675 1.320 -1.190) 1.901 2.575 ( 0.597 -2.599 5.073) 5.731 2.644 ( -5.225 -5.079 2.838) 7.820 2.686 ( 1.125 -0.936 2.914) 3.261 2.703 ( -4.966 -1.542 -0.215) 5.205 2.876 ( 1.344 -2.465 2.535) 3.783 3.080 ( 4.290 2.035 -4.057) 6.245 3.112 ( -2.526 -0.477 -2.688) 3.719 3.162 ( 1.413 0.761 1.013) 1.898 3.215 ( 3.189 0.312 -5.572) 6.428 3.550 ( -7.678 -1.293 0.192) 7.789 3.774 ( 3.304 -5.578 -2.140) 6.827 3.914 ( -2.646 4.058 -2.304) 5.364 4.131 ( -3.345 0.082 5.596) 6.520 4.189 ( -1.965 3.097 -2.399) 4.383 4.281 ( 1.374 3.446 0.306) 3.723 4.488 ( 0.562 2.621 -2.129) 3.423 4.512 ( 2.543 3.851 -2.836) 5.417 4.584 ( -1.581 -4.338 2.122) 5.081 4.721 ( 3.035 -4.514 2.031) 5.806 4.802 ( -0.458 -1.728 -0.908) 2.005 4.859 ( -0.329 2.084 1.423) 2.545 4.880 ( -1.355 -0.334 -1.206) 1.844 4.928 ( 0.797 -0.275 -1.360) 1.600 5.018 ( 0.516 0.879 0.263) 1.053 5.121 ( 0.508 4.493 0.149) 4.524 5.195 ( 0.451 -1.086 2.008) 2.327 5.251 ( -1.216 -1.227 -1.083) 2.039 5.326 ( -2.677 -0.563 -2.206) 3.514 5.388 ( -1.578 0.118 1.456) 2.150 5.568 ( 1.507 -5.826 1.575) 6.220 5.623 ( -1.088 0.531 -0.184) 1.225 5.708 ( -2.825 0.634 -0.281) 2.909 5.765 ( 2.434 1.489 -0.571) 2.910 5.776 ( -0.802 -0.451 3.007) 3.144 5.837 ( -0.631 3.625 0.054) 3.680 6.116 ( 3.343 -1.414 -7.502) 8.334 ======================= Grid point 74 (32/116) ======================= q-point: ( 0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( 13.837 3.946 3.758) 14.871 1.321 ( 10.338 2.502 7.415) 12.966 1.521 ( -6.637 5.886 -1.768) 9.046 1.714 ( -8.971 3.798 2.540) 10.067 1.841 ( -2.554 -4.409 5.493) 7.492 1.998 ( 0.571 0.426 -4.112) 4.173 2.086 ( 4.166 3.344 1.613) 5.580 2.233 ( 0.123 -1.517 -1.431) 2.089 2.270 ( 1.586 0.723 0.219) 1.757 2.339 ( -1.897 -1.113 0.662) 2.297 2.372 ( 1.498 -4.630 7.239) 8.722 2.444 ( -2.737 1.851 -0.305) 3.318 2.522 ( -5.165 -3.616 2.885) 6.934 2.586 ( -2.912 1.104 2.193) 3.809 2.669 ( 5.472 2.080 3.936) 7.054 2.738 ( 1.207 0.250 1.397) 1.863 2.891 ( -0.297 -4.049 -1.609) 4.367 3.059 ( -1.291 -1.020 -4.273) 4.579 3.169 ( 2.764 -0.406 -4.391) 5.204 3.192 ( 0.536 2.964 2.077) 3.659 3.264 ( 3.945 1.550 -3.278) 5.358 3.399 ( -6.055 0.034 0.206) 6.059 3.785 ( -3.510 -1.929 0.267) 4.014 3.863 ( -0.060 2.173 -4.388) 4.897 4.065 ( -2.885 2.796 4.907) 6.342 4.187 ( 0.530 2.989 0.192) 3.042 4.305 ( 0.557 4.472 0.768) 4.571 4.487 ( -0.264 1.970 -0.588) 2.072 4.543 ( -0.709 -2.012 -0.405) 2.171 4.584 ( 3.616 0.275 -3.145) 4.800 4.771 ( 0.339 -2.246 -0.835) 2.420 4.803 ( 1.416 -4.012 0.456) 4.279 4.844 ( -1.325 1.107 2.016) 2.654 4.850 ( -1.237 -0.015 -2.047) 2.391 4.955 ( 1.807 -1.689 0.459) 2.516 5.023 ( 0.024 1.694 -0.948) 1.941 5.122 ( -0.703 2.665 1.595) 3.185 5.216 ( 1.245 -2.027 0.030) 2.379 5.226 ( -0.985 1.389 -0.927) 1.939 5.279 ( -1.369 -2.727 -0.152) 3.055 5.368 ( -1.062 0.275 0.688) 1.295 5.580 ( -0.383 -1.382 -0.590) 1.550 5.611 ( 0.011 -4.232 1.569) 4.514 5.658 ( -1.995 1.648 -0.682) 2.676 5.751 ( -2.307 -0.915 2.659) 3.637 5.801 ( 1.411 1.577 -1.034) 2.355 5.829 ( -0.345 3.205 -0.541) 3.269 6.161 ( 2.802 -3.080 -6.021) 7.321 ======================= Grid point 75 (33/116) ======================= q-point: (-0.50 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -4.143 3.117 1.250) 5.333 1.423 ( -5.645 6.579 -0.366) 8.677 1.484 ( 1.926 2.655 3.575) 4.852 1.644 ( 6.373 -1.123 7.255) 9.722 1.780 ( -4.806 -5.197 2.334) 7.454 1.988 ( -0.024 3.622 -3.181) 4.821 2.095 ( -0.791 -5.780 -2.609) 6.391 2.217 ( -0.405 -1.658 -3.760) 4.130 2.290 ( -2.956 -1.351 3.586) 4.839 2.336 ( 2.051 -1.016 3.537) 4.213 2.390 ( 0.318 0.962 2.048) 2.284 2.428 ( 0.074 -2.527 4.281) 4.971 2.509 ( 2.196 -2.351 1.529) 3.562 2.560 ( -0.028 1.915 2.746) 3.348 2.718 ( -3.819 2.724 2.839) 5.483 2.840 ( 6.366 2.353 -0.572) 6.811 2.858 ( 0.655 3.527 -1.339) 3.829 3.006 ( -6.585 3.863 0.677) 7.665 3.083 ( -1.819 0.019 -2.961) 3.475 3.239 ( 1.842 -3.108 -3.506) 5.034 3.336 ( 2.608 0.195 0.989) 2.796 3.400 ( 4.303 -0.056 -1.073) 4.435 3.707 ( -2.457 -0.131 -0.828) 2.596 3.880 ( 2.074 0.653 -2.123) 3.039 4.049 ( -0.429 4.592 4.214) 6.247 4.190 ( -0.753 2.582 1.921) 3.305 4.306 ( -0.270 3.657 0.100) 3.668 4.479 ( 0.003 3.019 -0.575) 3.073 4.542 ( 0.744 -2.931 1.760) 3.499 4.635 ( 1.906 -0.345 -5.772) 6.088 4.752 ( -1.086 -2.228 -2.153) 3.283 4.812 ( -1.150 -3.797 -0.346) 3.982 4.823 ( -1.267 0.101 1.602) 2.045 4.831 ( -0.223 -0.473 -2.228) 2.288 4.988 ( 0.671 -0.861 4.232) 4.370 5.022 ( 0.810 4.034 -3.569) 5.447 5.108 ( -0.888 0.830 1.915) 2.268 5.203 ( -0.005 -0.711 -0.231) 0.748 5.254 ( 1.893 -1.726 -0.654) 2.644 5.270 ( -0.350 -1.717 1.446) 2.272 5.347 ( -0.971 0.807 -0.582) 1.390 5.572 ( 0.157 -0.079 -0.293) 0.342 5.611 ( -0.898 -5.086 1.462) 5.368 5.646 ( 0.967 1.472 -0.620) 1.867 5.713 ( -1.918 -0.663 1.333) 2.428 5.805 ( -0.988 0.417 -2.197) 2.445 5.821 ( 0.050 3.670 -0.534) 3.709 6.189 ( 1.489 -3.388 -4.919) 6.156 ======================= Grid point 76 (34/116) ======================= q-point: (-0.38 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -13.615 5.251 1.451) 14.664 1.243 ( -13.616 3.321 4.784) 14.809 1.547 ( 5.665 1.409 0.127) 5.839 1.634 ( -6.537 -2.884 0.839) 7.194 1.871 ( 9.151 5.124 7.449) 12.864 1.980 ( -1.218 3.624 0.104) 3.825 2.067 ( -0.962 -3.936 -1.922) 4.485 2.219 ( 0.206 -1.965 -3.634) 4.136 2.272 ( -1.029 -4.288 1.483) 4.653 2.333 ( -0.012 -1.692 -0.075) 1.694 2.442 ( 2.735 3.447 4.785) 6.501 2.454 ( 2.315 -1.788 2.338) 3.744 2.524 ( -5.657 3.634 0.753) 6.765 2.552 ( 3.140 -1.052 -0.910) 3.435 2.676 ( -0.288 -1.280 7.176) 7.295 2.801 ( -3.276 2.621 2.029) 4.660 2.836 ( -3.927 0.910 -0.869) 4.123 3.003 ( 0.884 2.853 -3.974) 4.971 3.106 ( 3.343 0.177 -3.931) 5.163 3.267 ( 3.256 -1.541 -2.013) 4.126 3.382 ( 1.968 -2.616 1.145) 3.468 3.447 ( 0.512 1.816 1.752) 2.574 3.715 ( 2.532 -4.862 -1.825) 5.777 3.942 ( 5.133 2.878 -1.627) 6.106 4.054 ( -0.035 4.579 3.636) 5.847 4.162 ( -2.303 2.033 0.929) 3.209 4.303 ( -0.130 2.638 0.687) 2.729 4.502 ( 2.492 3.845 -0.245) 4.588 4.566 ( 1.099 -2.207 1.713) 3.002 4.615 ( -2.650 -1.347 -4.410) 5.319 4.722 ( -2.256 -2.810 -1.741) 4.002 4.784 ( -0.563 -1.672 -1.230) 2.150 4.804 ( -1.014 -0.669 0.933) 1.532 4.831 ( 0.871 -1.620 -2.034) 2.742 4.977 ( -2.112 3.471 -0.768) 4.135 5.043 ( 1.578 3.746 1.970) 4.518 5.112 ( 0.493 -0.733 2.637) 2.781 5.224 ( 1.174 -0.905 0.084) 1.484 5.247 ( -0.945 -0.998 -2.858) 3.171 5.287 ( 1.570 -0.434 1.067) 1.947 5.346 ( 0.836 0.491 1.097) 1.464 5.577 ( -1.201 -3.876 0.907) 4.158 5.599 ( 0.865 -1.968 -0.232) 2.162 5.676 ( 1.987 0.799 -0.531) 2.206 5.693 ( -0.362 0.437 0.203) 0.603 5.764 ( -2.471 0.595 -2.968) 3.908 5.823 ( 0.284 3.610 -0.577) 3.667 6.194 ( 0.192 -3.236 -4.283) 5.372 ======================= Grid point 77 (35/116) ======================= q-point: (-0.25 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( -16.841 6.159 2.557) 18.113 0.964 ( -16.192 5.318 10.471) 20.003 1.473 ( -10.922 12.045 7.129) 17.754 1.715 ( 10.045 2.256 -2.991) 10.721 1.940 ( -2.225 2.576 1.831) 3.865 2.000 ( 1.585 6.140 5.327) 8.282 2.080 ( 2.879 -4.544 0.561) 5.408 2.190 ( -3.255 0.753 0.698) 3.413 2.215 ( -0.498 -2.639 -5.520) 6.139 2.382 ( 2.728 -0.704 0.898) 2.957 2.435 ( -2.765 -1.957 -0.976) 3.525 2.485 ( 0.951 2.805 3.904) 4.900 2.507 ( 2.125 -1.637 0.726) 2.779 2.637 ( 0.403 -4.882 -0.014) 4.898 2.685 ( 4.695 -3.040 2.565) 6.153 2.751 ( -0.745 0.149 2.387) 2.505 2.830 ( 1.125 2.064 1.557) 2.820 2.954 ( -3.497 2.929 -4.079) 6.119 3.142 ( 1.629 2.556 -3.040) 4.293 3.287 ( -3.027 -3.477 0.522) 4.640 3.404 ( -0.376 -3.905 -0.275) 3.933 3.498 ( 6.025 2.491 -1.084) 6.609 3.753 ( 1.410 -8.542 -0.006) 8.658 4.005 ( -0.016 3.769 -0.614) 3.819 4.092 ( 3.119 2.570 4.026) 5.705 4.136 ( 1.097 1.627 -2.708) 3.344 4.297 ( -0.720 3.059 0.657) 3.211 4.520 ( -3.255 -1.702 -1.512) 3.972 4.565 ( 1.111 3.018 0.758) 3.304 4.590 ( 0.132 -2.460 -0.021) 2.463 4.666 ( -1.968 -2.787 -0.591) 3.462 4.783 ( -0.031 -1.403 1.826) 2.303 4.811 ( 2.476 2.294 -2.707) 4.327 4.851 ( 1.341 -2.520 -0.580) 2.913 4.928 ( -2.349 5.059 -3.079) 6.371 5.082 ( 0.991 1.256 3.359) 3.721 5.123 ( 0.483 0.522 2.078) 2.196 5.196 ( -1.371 0.668 0.527) 1.613 5.277 ( 1.975 -0.592 -2.124) 2.960 5.331 ( 3.202 0.747 -0.600) 3.342 5.366 ( 0.615 1.015 1.842) 2.192 5.537 ( -2.799 -6.886 1.084) 7.511 5.623 ( 0.686 -0.703 -0.339) 1.038 5.687 ( 0.119 -1.031 -1.515) 1.836 5.713 ( -1.405 1.335 -2.397) 3.082 5.716 ( 1.598 2.469 -0.263) 2.953 5.837 ( 1.388 4.358 -0.383) 4.590 6.180 ( -0.462 -2.164 -4.795) 5.281 ======================= Grid point 78 (36/116) ======================= q-point: (-0.12 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( -8.832 12.817 9.732) 18.358 0.728 ( -10.921 12.176 14.133) 21.616 1.262 ( -13.026 25.246 17.259) 33.241 1.862 ( 4.672 1.015 -2.079) 5.214 1.913 ( -1.185 0.343 1.075) 1.637 1.996 ( 0.017 5.265 0.969) 5.354 2.159 ( 3.850 -4.910 0.844) 6.297 2.173 ( 0.769 -1.087 -3.171) 3.439 2.198 ( -0.539 0.193 1.122) 1.260 2.393 ( -0.715 -4.715 0.418) 4.787 2.423 ( 0.849 -0.764 -0.810) 1.400 2.503 ( 0.457 2.017 0.230) 2.081 2.540 ( 1.110 -4.205 -0.708) 4.406 2.615 ( 0.332 -2.928 -0.650) 3.017 2.762 ( 0.976 -0.803 3.559) 3.777 2.811 ( 3.985 -0.897 0.488) 4.114 2.854 ( 0.416 2.195 2.059) 3.038 2.906 ( 0.851 2.603 -2.340) 3.603 3.147 ( -1.471 1.251 -3.100) 3.652 3.192 ( -4.578 1.545 -1.251) 4.991 3.372 ( -3.182 -3.410 1.840) 5.014 3.610 ( 5.295 -1.553 -2.855) 6.213 3.758 ( -1.320 -10.721 1.019) 10.850 3.983 ( -1.310 2.897 0.175) 3.185 4.114 ( -0.068 4.861 2.737) 5.579 4.190 ( 1.609 -0.988 -0.870) 2.078 4.298 ( 2.200 -0.752 -2.499) 3.413 4.471 ( -0.526 4.069 -0.559) 4.140 4.549 ( -3.294 -3.953 -0.138) 5.148 4.586 ( 0.447 0.260 2.915) 2.960 4.661 ( -0.020 -4.170 -0.729) 4.234 4.827 ( 3.918 0.278 1.014) 4.057 4.857 ( 1.107 2.864 0.314) 3.086 4.874 ( 1.217 2.375 -4.234) 5.005 4.879 ( -0.336 2.192 -1.196) 2.519 5.075 ( -1.156 -2.017 1.282) 2.655 5.148 ( 0.338 0.968 1.682) 1.970 5.191 ( 0.295 0.029 0.331) 0.444 5.303 ( 1.127 2.332 -0.934) 2.753 5.360 ( -0.022 0.170 0.579) 0.604 5.392 ( 1.046 -1.287 0.249) 1.677 5.488 ( -2.064 -4.186 1.991) 5.074 5.616 ( -0.374 -0.815 -1.161) 1.467 5.683 ( 0.014 0.036 -1.850) 1.850 5.711 ( 1.062 1.139 0.287) 1.584 5.749 ( 1.836 1.749 -0.498) 2.584 5.866 ( 1.392 3.882 -0.228) 4.130 6.157 ( -0.542 2.302 -8.375) 8.702 ======================= Grid point 79 (37/116) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 2.950 19.252 9.322) 21.592 1.001 ( 1.855 20.580 6.328) 21.610 1.689 ( 1.712 18.125 8.090) 19.922 1.884 ( -0.549 0.204 -0.316) 0.665 1.941 ( -0.056 0.868 2.938) 3.064 2.035 ( 0.158 0.329 0.028) 0.366 2.111 ( -2.086 2.168 0.507) 3.051 2.170 ( 1.540 -5.843 -2.353) 6.484 2.201 ( 1.909 4.398 -6.127) 7.780 2.289 ( -0.366 -3.332 -0.082) 3.353 2.434 ( 0.125 -1.062 -0.658) 1.256 2.480 ( -0.616 2.141 -0.804) 2.369 2.538 ( 1.602 -1.503 -2.532) 3.352 2.611 ( 0.892 -0.880 0.688) 1.429 2.721 ( -1.665 -4.323 4.283) 6.309 2.817 ( -2.436 1.168 2.417) 3.625 2.849 ( -3.225 2.787 3.302) 5.392 3.053 ( 2.650 -2.776 -3.558) 5.234 3.103 ( 2.359 4.636 -3.774) 6.427 3.191 ( -4.376 -3.574 -0.173) 5.652 3.321 ( -0.409 4.707 4.959) 6.850 3.495 ( 0.192 -10.855 1.592) 10.973 3.571 ( -0.036 -6.290 -1.461) 6.457 3.912 ( -1.311 -13.450 1.273) 13.574 4.116 ( -0.203 2.067 5.171) 5.573 4.246 ( -0.283 5.107 -0.223) 5.120 4.344 ( 3.086 2.884 -0.363) 4.240 4.485 ( 1.069 -1.186 -1.161) 1.974 4.541 ( -1.176 -1.605 -0.907) 2.187 4.573 ( -1.322 1.780 1.643) 2.759 4.641 ( -0.901 3.481 0.381) 3.616 4.810 ( 0.093 -2.594 3.258) 4.166 4.898 ( -0.489 1.021 -2.788) 3.009 4.903 ( -0.469 0.812 -0.833) 1.254 4.988 ( 1.391 2.143 0.271) 2.569 5.019 ( -0.561 -0.775 1.938) 2.161 5.129 ( -0.531 -1.965 0.564) 2.112 5.177 ( 0.976 -1.542 -0.691) 1.952 5.288 ( -1.464 0.809 -3.150) 3.567 5.327 ( -0.509 -1.709 0.072) 1.785 5.385 ( 0.802 -0.406 0.880) 1.258 5.495 ( -0.216 -1.400 -2.560) 2.926 5.625 ( 1.713 0.558 -0.093) 1.804 5.697 ( 2.484 -0.746 -0.955) 2.763 5.778 ( 0.353 3.048 -1.002) 3.228 5.807 ( 0.173 2.759 0.491) 2.808 5.895 ( -1.158 2.809 -0.019) 3.038 6.181 ( -0.211 -0.508 -9.258) 9.274 ======================= Grid point 80 (38/116) ======================= q-point: ( 0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 1.709 18.625 7.622) 20.197 1.105 ( 7.144 17.352 9.226) 20.910 1.775 ( 3.980 11.995 8.887) 15.450 1.885 ( 0.929 4.776 -4.315) 6.503 1.956 ( 0.385 -3.994 3.782) 5.514 2.027 ( -1.113 0.958 1.524) 2.116 2.075 ( -1.861 7.136 -0.540) 7.394 2.163 ( -0.494 -1.599 -2.087) 2.676 2.230 ( 1.042 -2.425 -4.959) 5.618 2.265 ( -1.299 -0.776 -0.017) 1.514 2.432 ( 0.290 -2.218 -2.431) 3.303 2.490 ( 1.665 2.961 1.735) 3.815 2.556 ( -0.325 -3.599 -4.710) 5.937 2.595 ( -2.869 -0.303 4.724) 5.535 2.677 ( -2.866 -3.086 3.069) 5.211 2.763 ( -3.221 0.204 0.745) 3.312 2.831 ( -0.047 0.608 2.742) 2.809 3.043 ( -0.281 -2.129 -1.187) 2.454 3.097 ( -3.984 -6.370 -1.632) 7.688 3.159 ( 3.114 0.372 -5.735) 6.536 3.278 ( -4.687 4.927 5.141) 8.525 3.567 ( 2.303 -3.578 0.542) 4.289 3.589 ( 4.666 -4.474 0.436) 6.480 3.911 ( 0.751 -11.816 0.310) 11.844 4.127 ( 0.006 2.257 5.436) 5.886 4.247 ( 0.289 3.705 0.123) 3.719 4.380 ( -0.079 4.178 -1.432) 4.417 4.492 ( 1.215 0.887 -2.330) 2.773 4.517 ( -1.952 -2.198 2.545) 3.888 4.582 ( 2.691 -2.955 -0.342) 4.012 4.632 ( 0.138 5.691 0.493) 5.714 4.811 ( -0.682 -1.722 2.293) 2.948 4.861 ( -3.305 0.330 1.197) 3.531 4.885 ( -0.423 -0.068 -2.630) 2.665 4.985 ( -1.206 1.320 -2.245) 2.870 5.031 ( 1.165 1.761 2.099) 2.977 5.136 ( 0.915 -2.435 1.427) 2.967 5.196 ( 0.140 -1.063 -1.109) 1.542 5.253 ( -1.323 1.255 -3.154) 3.644 5.328 ( 0.452 -1.291 0.607) 1.497 5.411 ( 1.670 -2.727 0.196) 3.204 5.455 ( -2.957 -1.595 -2.239) 4.038 5.655 ( 0.927 0.902 0.367) 1.344 5.738 ( 1.251 -1.151 1.046) 1.996 5.771 ( -0.638 2.355 -1.119) 2.684 5.804 ( -0.544 3.167 0.638) 3.276 5.880 ( 0.051 2.161 -1.152) 2.449 6.125 ( -2.752 -0.295 -7.963) 8.430 ======================= Grid point 81 (39/116) ======================= q-point: ( 0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( 5.424 12.403 6.147) 14.867 1.281 ( 8.750 13.629 7.847) 17.997 1.786 ( -4.143 5.461 2.225) 7.207 1.873 ( -5.957 1.367 1.310) 6.250 1.926 ( -1.300 1.625 0.139) 2.086 2.001 ( -2.483 0.592 -3.178) 4.076 2.079 ( 2.446 -1.052 5.454) 6.069 2.173 ( 1.525 2.323 -0.895) 2.919 2.216 ( 0.213 -3.536 -3.220) 4.787 2.273 ( 0.620 1.958 0.167) 2.061 2.427 ( -1.319 -1.301 -2.519) 3.127 2.475 ( -2.681 -2.439 -2.397) 4.345 2.540 ( -3.135 -3.831 2.029) 5.349 2.558 ( 1.960 2.311 1.997) 3.629 2.671 ( 1.881 0.847 1.140) 2.357 2.700 ( -3.250 0.899 4.361) 5.512 2.841 ( 0.284 -1.520 0.521) 1.632 3.052 ( 1.420 -4.401 -1.911) 5.004 3.082 ( 2.216 -3.538 -2.946) 5.109 3.174 ( -1.270 -2.125 -1.357) 2.823 3.237 ( 2.027 5.046 -0.391) 5.452 3.543 ( -3.806 0.639 3.165) 4.991 3.698 ( 3.859 -2.442 2.694) 5.302 3.933 ( 1.502 -5.217 -2.392) 5.932 4.135 ( -0.508 3.130 5.175) 6.069 4.241 ( -1.111 2.520 -1.577) 3.174 4.370 ( 0.791 4.968 0.293) 5.039 4.484 ( -0.663 -2.598 0.448) 2.719 4.534 ( 1.447 0.144 -0.620) 1.581 4.610 ( 0.181 2.997 -2.035) 3.627 4.676 ( 4.051 0.237 2.392) 4.711 4.790 ( -1.928 1.614 0.570) 2.578 4.814 ( -1.551 -3.783 2.383) 4.733 4.859 ( -1.698 -1.499 -1.917) 2.968 4.967 ( -0.098 2.325 -1.314) 2.673 5.046 ( -0.149 1.396 0.424) 1.467 5.143 ( -1.469 -4.356 1.037) 4.713 5.188 ( 0.610 -0.121 -0.663) 0.909 5.228 ( -0.568 1.824 -2.667) 3.280 5.331 ( -1.236 0.478 -0.789) 1.542 5.380 ( -2.516 -0.736 0.088) 2.623 5.457 ( 2.103 -5.142 0.576) 5.585 5.647 ( -1.817 1.366 0.124) 2.277 5.721 ( -2.271 0.050 0.500) 2.326 5.765 ( -0.636 0.279 1.361) 1.527 5.810 ( 1.219 2.754 -1.172) 3.232 5.884 ( 0.197 1.598 -1.422) 2.148 6.077 ( -0.238 -2.713 -6.313) 6.875 ======================= Grid point 82 (40/116) ======================= q-point: ( 0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 10.067 3.789 3.269) 11.242 1.433 ( 5.189 9.042 5.109) 11.610 1.668 ( -7.761 8.750 0.154) 11.697 1.740 ( -7.704 -4.073 3.912) 9.552 1.841 ( -5.788 6.406 -0.853) 8.676 1.994 ( 1.137 -0.881 -0.868) 1.680 2.104 ( -2.932 -2.402 -1.526) 4.086 2.165 ( 0.300 -7.685 1.205) 7.784 2.241 ( 0.284 -0.103 -2.331) 2.351 2.286 ( 2.470 -0.403 4.078) 4.785 2.370 ( -3.717 -0.715 1.266) 3.992 2.452 ( -2.938 0.136 -0.629) 3.008 2.467 ( 0.892 -1.668 -2.434) 3.082 2.629 ( -1.650 2.604 1.651) 3.497 2.671 ( 5.176 -3.555 -4.417) 7.677 2.766 ( 5.296 4.655 6.381) 9.510 2.842 ( 0.697 -1.037 -0.689) 1.426 3.064 ( -1.284 0.623 -1.734) 2.246 3.108 ( 2.947 -4.123 -2.311) 5.570 3.199 ( 2.793 -3.372 1.301) 4.568 3.302 ( 3.198 2.860 -0.115) 4.292 3.456 ( -4.774 5.541 2.416) 7.702 3.731 ( -1.033 -1.986 4.221) 4.778 3.937 ( -0.247 2.827 -4.164) 5.038 4.133 ( -0.665 4.264 4.772) 6.434 4.224 ( 0.281 1.130 -1.840) 2.178 4.406 ( 1.053 5.607 0.365) 5.717 4.472 ( 0.061 -3.664 1.654) 4.020 4.549 ( -0.034 1.286 -0.536) 1.393 4.601 ( 0.288 2.316 -2.673) 3.548 4.736 ( -0.014 -2.155 0.827) 2.308 4.778 ( 0.698 2.779 1.550) 3.258 4.806 ( 0.856 -4.087 1.208) 4.347 4.825 ( -1.421 -2.358 0.385) 2.780 4.964 ( -0.365 2.908 -1.510) 3.297 5.029 ( -1.102 -2.292 -0.315) 2.562 5.117 ( -0.312 -4.371 0.462) 4.406 5.198 ( -0.462 -1.247 -0.118) 1.335 5.210 ( -1.115 1.341 -1.869) 2.556 5.287 ( -0.927 2.068 -0.552) 2.332 5.370 ( -0.139 0.124 1.198) 1.212 5.494 ( 1.529 -4.878 0.730) 5.164 5.604 ( -2.240 0.788 -0.023) 2.375 5.681 ( -1.935 -0.316 -0.175) 1.968 5.750 ( -0.998 1.716 0.458) 2.037 5.826 ( 0.452 1.295 -1.398) 1.958 5.878 ( -0.309 1.788 -1.505) 2.357 6.082 ( 1.678 -4.937 -5.212) 7.373 ======================= Grid point 83 (41/116) ======================= q-point: (-0.50 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -2.832 2.717 -0.370) 3.942 1.538 ( 5.347 0.114 2.309) 5.825 1.563 ( -1.736 5.721 1.445) 6.151 1.568 ( -10.041 3.574 4.369) 11.519 1.785 ( 1.288 2.594 -0.139) 2.899 1.988 ( -2.651 -5.786 -3.541) 7.283 2.062 ( 1.936 3.991 1.041) 4.557 2.171 ( -0.748 -8.277 0.154) 8.313 2.231 ( -0.391 1.034 -1.911) 2.208 2.314 ( -1.791 0.520 -0.237) 1.880 2.356 ( 2.468 -3.972 4.995) 6.842 2.433 ( 1.075 1.598 0.292) 1.948 2.483 ( 1.160 -0.710 -1.684) 2.165 2.616 ( -0.284 3.839 2.729) 4.719 2.711 ( -0.003 -3.550 -1.179) 3.741 2.810 ( 0.581 -1.138 -3.035) 3.293 2.955 ( 8.257 2.216 0.631) 8.573 3.041 ( -0.398 0.925 -2.382) 2.586 3.136 ( -4.161 -2.593 3.867) 6.244 3.193 ( -1.563 3.202 0.845) 3.662 3.309 ( -0.884 -1.737 5.345) 5.689 3.462 ( 4.107 5.905 -3.951) 8.207 3.687 ( -4.018 -0.319 3.778) 5.524 3.942 ( 2.323 4.345 -2.736) 5.636 4.137 ( -0.127 4.148 4.796) 6.342 4.233 ( 0.398 1.085 -0.732) 1.368 4.368 ( -2.967 2.258 -1.943) 4.204 4.532 ( 3.340 2.751 3.248) 5.410 4.540 ( 0.660 1.371 0.327) 1.556 4.606 ( -0.061 -1.525 -2.957) 3.328 4.709 ( -1.630 -1.355 -1.298) 2.485 4.776 ( -0.921 -0.424 -0.279) 1.051 4.804 ( -0.557 -1.940 0.904) 2.212 4.825 ( -1.518 0.639 1.505) 2.231 4.968 ( 2.124 -2.386 0.448) 3.226 5.027 ( 0.763 -1.663 1.008) 2.089 5.125 ( -0.475 -5.947 0.300) 5.974 5.171 ( 0.610 3.320 -2.545) 4.228 5.208 ( 0.342 -1.001 0.246) 1.086 5.294 ( 0.769 1.877 0.882) 2.212 5.360 ( -1.012 0.674 -0.342) 1.263 5.509 ( -0.606 -5.001 1.195) 5.177 5.579 ( -0.088 0.702 -0.009) 0.708 5.655 ( -0.467 -1.322 -0.791) 1.610 5.740 ( 0.103 3.719 -0.421) 3.744 5.816 ( -1.040 0.765 -2.110) 2.473 5.870 ( -0.109 1.557 -1.996) 2.534 6.101 ( 1.321 -5.575 -4.167) 7.084 ======================= Grid point 84 (42/116) ======================= q-point: (-0.38 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -12.730 3.625 1.265) 13.296 1.362 ( -11.235 9.477 4.108) 15.262 1.595 ( 6.151 1.562 -1.714) 6.574 1.623 ( 1.638 2.952 0.805) 3.471 1.918 ( 6.514 -4.560 -0.641) 7.977 1.947 ( 3.023 -2.918 -1.715) 4.538 2.102 ( 0.318 5.228 2.691) 5.888 2.148 ( -1.081 -6.095 -2.299) 6.603 2.219 ( -0.713 1.880 -0.405) 2.051 2.307 ( 1.723 -0.402 -1.596) 2.383 2.397 ( 1.701 -2.990 1.274) 3.668 2.480 ( 2.244 -1.412 2.625) 3.731 2.497 ( 0.637 -0.425 -1.974) 2.118 2.622 ( 0.878 4.328 1.320) 4.609 2.685 ( -2.706 0.316 2.430) 3.651 2.831 ( 2.031 1.196 -0.529) 2.415 2.916 ( -12.204 4.661 5.228) 14.071 3.027 ( -0.643 -0.238 -3.038) 3.114 3.111 ( 3.986 -0.265 -2.314) 4.617 3.234 ( 3.489 0.112 0.693) 3.559 3.293 ( -2.411 -5.417 4.344) 7.350 3.517 ( 2.264 4.059 -1.795) 4.982 3.627 ( -2.822 -2.971 3.815) 5.599 3.999 ( 3.202 1.496 -1.352) 3.784 4.142 ( -0.786 4.300 4.651) 6.383 4.221 ( -1.266 2.954 -0.384) 3.237 4.336 ( 0.339 0.940 -1.026) 1.432 4.529 ( -3.366 -1.747 -1.316) 4.014 4.576 ( 1.722 2.519 -0.083) 3.052 4.613 ( 1.050 2.185 0.768) 2.543 4.682 ( -1.617 0.482 0.082) 1.689 4.767 ( 0.869 -0.406 -0.082) 0.962 4.789 ( -0.549 -0.968 0.095) 1.117 4.802 ( -0.060 -1.143 -0.851) 1.426 5.006 ( 0.396 -0.036 1.942) 1.983 5.065 ( 2.704 -3.551 1.139) 4.606 5.106 ( -0.785 -0.308 1.433) 1.663 5.205 ( 1.522 -1.253 -3.491) 4.009 5.221 ( 2.049 1.264 -0.517) 2.462 5.307 ( 0.677 1.352 0.499) 1.592 5.352 ( 0.687 0.229 0.992) 1.228 5.474 ( -2.926 -5.379 0.680) 6.161 5.598 ( 1.645 0.571 -0.542) 1.823 5.657 ( 0.598 -1.368 -0.962) 1.776 5.750 ( 0.622 3.567 -0.307) 3.634 5.785 ( -1.217 1.721 -3.212) 3.842 5.870 ( 0.801 1.477 -2.182) 2.754 6.111 ( 0.702 -5.280 -3.495) 6.371 ======================= Grid point 85 (43/116) ======================= q-point: (-0.25 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( -9.652 11.227 3.046) 15.116 1.168 ( -10.149 13.805 5.341) 17.948 1.651 ( 1.130 6.297 0.596) 6.425 1.750 ( 9.786 -1.547 -3.319) 10.448 1.919 ( 0.104 -8.179 -0.579) 8.201 2.061 ( -0.467 7.230 2.401) 7.633 2.124 ( -0.572 -4.963 -4.177) 6.512 2.130 ( 5.025 -0.455 -0.783) 5.105 2.197 ( -1.779 6.085 2.074) 6.670 2.349 ( 1.441 -3.419 -3.082) 4.824 2.420 ( -0.190 -1.122 0.149) 1.148 2.486 ( -0.016 0.379 -1.599) 1.643 2.514 ( 0.619 -0.581 1.059) 1.357 2.616 ( -3.922 3.631 2.605) 5.946 2.690 ( 4.209 3.795 5.452) 7.864 2.743 ( -4.174 -0.211 3.551) 5.485 2.882 ( 2.413 3.017 2.127) 4.410 2.990 ( -2.252 1.344 -3.036) 4.012 3.168 ( 2.408 -1.039 -3.631) 4.479 3.216 ( -3.949 -4.246 1.710) 6.045 3.303 ( 1.429 -5.107 0.661) 5.344 3.551 ( 1.600 1.982 -0.535) 2.603 3.594 ( -2.050 -6.452 4.454) 8.104 4.016 ( -1.659 -5.489 0.412) 5.749 4.130 ( -1.414 3.281 4.689) 5.895 4.210 ( 0.564 4.540 -0.368) 4.589 4.354 ( 0.243 2.430 -0.553) 2.504 4.452 ( -2.336 -2.073 -2.088) 3.757 4.584 ( -0.992 -1.414 0.259) 1.746 4.621 ( -1.244 3.328 -1.197) 3.749 4.663 ( 0.463 3.288 1.540) 3.660 4.766 ( 0.576 -0.863 0.888) 1.366 4.811 ( 1.346 -0.573 0.140) 1.470 4.845 ( 4.116 0.910 -0.605) 4.258 4.997 ( -1.155 1.976 0.005) 2.289 5.079 ( -1.720 -1.231 0.827) 2.271 5.122 ( 1.364 -1.311 2.750) 3.338 5.194 ( -0.469 -0.802 -2.031) 2.233 5.282 ( 2.814 1.407 -0.955) 3.288 5.345 ( 3.065 0.189 -0.938) 3.211 5.378 ( 0.894 -0.057 0.893) 1.265 5.419 ( -1.801 -4.930 0.120) 5.250 5.616 ( 0.131 0.023 -1.424) 1.430 5.663 ( 0.207 -1.249 -1.110) 1.684 5.747 ( 0.274 2.158 -1.829) 2.842 5.782 ( 0.999 3.866 -1.329) 4.208 5.892 ( 1.735 1.837 -1.577) 2.979 6.122 ( 1.774 -3.889 -4.064) 5.898 ======================= Grid point 86 (44/116) ======================= q-point: (-0.12 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( -0.283 19.335 5.017) 19.977 1.027 ( -5.859 17.632 7.394) 19.997 1.666 ( 0.128 11.342 3.640) 11.912 1.884 ( 3.305 -1.798 -3.666) 5.253 1.928 ( 0.746 -5.635 3.084) 6.467 2.040 ( -1.379 7.572 2.770) 8.180 2.122 ( 2.249 -2.539 -5.240) 6.242 2.153 ( -1.981 2.542 -0.122) 3.225 2.195 ( 0.886 3.261 -1.207) 3.588 2.308 ( -2.674 -3.081 -0.484) 4.108 2.426 ( 0.849 0.420 -0.305) 0.995 2.492 ( 0.164 0.788 -1.793) 1.966 2.520 ( 0.516 -1.808 -0.850) 2.063 2.590 ( 0.545 0.894 1.105) 1.522 2.715 ( 0.399 -3.241 4.111) 5.250 2.814 ( 3.809 2.539 4.825) 6.651 2.897 ( -2.175 2.456 4.428) 5.511 2.976 ( 3.012 3.672 -5.163) 7.015 3.119 ( -2.921 -2.931 -1.565) 4.424 3.227 ( 1.298 -0.889 -1.445) 2.136 3.307 ( -0.281 -2.527 1.117) 2.777 3.537 ( -3.200 -9.695 1.772) 10.363 3.581 ( -0.407 -2.923 1.432) 3.281 3.958 ( -3.706 -11.105 1.351) 11.785 4.115 ( -1.049 1.927 5.025) 5.483 4.237 ( 1.787 5.351 0.025) 5.642 4.323 ( -1.366 3.400 -1.719) 4.047 4.457 ( 1.677 -3.340 -0.625) 3.789 4.573 ( -0.637 -0.454 0.552) 0.957 4.585 ( -1.438 4.350 -1.259) 4.752 4.658 ( -1.178 2.074 1.743) 2.954 4.793 ( 1.186 -2.717 1.381) 3.270 4.866 ( 3.853 1.462 0.011) 4.121 4.899 ( 1.482 1.078 -0.858) 2.023 4.976 ( -0.688 3.506 -0.145) 3.576 5.037 ( -2.072 -1.684 0.992) 2.848 5.139 ( -0.205 -1.903 1.693) 2.556 5.183 ( -0.662 -1.428 -1.665) 2.291 5.311 ( 0.313 -0.278 -0.992) 1.077 5.342 ( -1.422 -0.909 -1.354) 2.164 5.378 ( -0.244 -0.162 1.838) 1.861 5.464 ( 3.856 -0.943 -2.181) 4.530 5.608 ( 0.077 0.161 -1.389) 1.401 5.667 ( 0.844 -1.278 -1.538) 2.170 5.763 ( 1.362 2.865 -1.376) 3.458 5.798 ( 0.767 3.648 -0.080) 3.728 5.909 ( 0.031 1.980 -0.353) 2.011 6.163 ( 3.427 -1.770 -6.981) 7.976 ======================= Grid point 87 (45/116) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 1.614 17.152 7.629) 18.842 1.397 ( 2.821 19.626 1.377) 19.875 1.640 ( 1.553 -12.636 6.098) 14.116 1.745 ( 2.058 -15.569 0.476) 15.712 1.970 ( 1.986 4.087 -4.032) 6.075 2.031 ( 0.286 -2.535 -2.761) 3.759 2.130 ( 0.103 2.235 -4.547) 5.068 2.212 ( 0.299 -5.151 -4.328) 6.735 2.311 ( 1.271 6.606 -4.130) 7.893 2.366 ( -1.475 8.354 0.373) 8.491 2.438 ( 0.662 1.362 0.602) 1.630 2.478 ( 0.346 -1.380 -0.162) 1.432 2.555 ( 0.802 2.185 -4.392) 4.970 2.613 ( 0.290 -3.388 -0.871) 3.511 2.708 ( -2.369 12.706 8.971) 15.733 2.864 ( -4.315 3.814 2.279) 6.194 2.922 ( -3.745 1.809 2.220) 4.714 2.964 ( 2.066 -5.854 0.344) 6.218 3.097 ( -7.639 -5.362 1.262) 9.418 3.131 ( -5.019 -5.473 -2.781) 7.930 3.321 ( 8.948 -1.281 3.595) 9.728 3.380 ( 8.882 -2.304 1.327) 9.271 3.502 ( -4.158 1.263 2.768) 5.152 3.627 ( -4.021 -11.927 6.595) 14.209 4.202 ( -0.048 5.587 3.221) 6.449 4.301 ( -0.484 -3.285 1.291) 3.563 4.380 ( 2.253 3.964 1.630) 4.843 4.447 ( 2.050 -2.153 -0.734) 3.063 4.556 ( -2.684 2.242 -1.837) 3.950 4.594 ( -2.709 -1.053 0.032) 2.906 4.705 ( 1.187 3.825 0.271) 4.014 4.767 ( 0.341 -2.327 2.474) 3.413 4.905 ( -1.143 1.196 -1.612) 2.310 4.925 ( -0.159 0.155 -0.243) 0.329 4.998 ( 0.500 -0.142 -0.323) 0.612 5.010 ( -0.093 -1.310 0.758) 1.516 5.104 ( 0.300 0.662 0.793) 1.076 5.138 ( 0.534 -2.239 0.115) 2.305 5.300 ( -0.773 0.151 -2.748) 2.859 5.306 ( -1.126 -0.597 -1.573) 2.024 5.401 ( 0.028 2.064 -0.960) 2.277 5.450 ( -0.148 -2.784 -2.027) 3.447 5.643 ( 2.007 1.338 -0.430) 2.451 5.672 ( 2.330 -1.565 -0.484) 2.848 5.813 ( -0.114 1.314 -0.180) 1.331 5.831 ( -0.315 -0.389 0.080) 0.507 6.006 ( -0.067 7.183 -3.071) 7.812 6.126 ( 0.133 -4.918 -5.976) 7.741 ======================= Grid point 88 (46/116) ======================= q-point: ( 0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 1.171 17.058 7.295) 18.589 1.445 ( 3.291 17.513 4.215) 18.311 1.705 ( 3.341 -12.853 7.286) 15.147 1.754 ( -1.437 -13.632 2.138) 13.874 1.980 ( 0.260 3.063 -2.987) 4.286 2.018 ( -1.074 -1.142 -2.306) 2.788 2.141 ( 2.096 2.072 -5.049) 5.846 2.204 ( -0.442 -2.867 -5.780) 6.467 2.300 ( -1.311 4.932 -3.791) 6.357 2.332 ( -2.220 5.969 0.031) 6.368 2.439 ( -0.767 2.875 1.088) 3.168 2.476 ( -1.152 -2.492 -2.234) 3.540 2.541 ( -1.654 -0.192 -2.145) 2.715 2.582 ( -3.501 -4.564 -0.264) 5.758 2.716 ( 2.002 12.701 5.480) 13.977 2.801 ( -3.119 3.889 3.158) 5.901 2.889 ( -1.544 4.741 0.072) 4.987 2.945 ( -4.154 -6.698 -0.372) 7.891 2.983 ( -0.805 -4.435 -0.107) 4.509 3.072 ( 0.415 -10.394 -3.572) 10.998 3.391 ( -2.857 7.687 7.132) 10.868 3.528 ( 2.662 -1.979 5.294) 6.248 3.547 ( 8.112 -0.314 1.205) 8.207 3.626 ( 4.848 -13.319 2.892) 14.466 4.215 ( 0.585 5.557 3.520) 6.604 4.296 ( -0.646 -0.957 1.494) 1.888 4.426 ( 2.219 0.333 1.153) 2.523 4.453 ( -1.681 -1.894 -0.761) 2.644 4.515 ( -0.546 3.047 -2.232) 3.816 4.574 ( 1.039 -1.688 0.074) 1.984 4.720 ( 0.334 3.630 0.897) 3.755 4.769 ( -0.665 -2.063 2.514) 3.319 4.870 ( -2.022 1.772 -2.180) 3.461 4.907 ( -1.388 0.103 -0.552) 1.498 5.004 ( -0.717 0.809 -0.258) 1.111 5.031 ( 1.623 -1.926 -0.379) 2.547 5.105 ( -0.295 0.836 1.341) 1.608 5.146 ( 0.439 -2.935 -0.628) 3.033 5.286 ( 0.298 1.056 -2.509) 2.738 5.305 ( 0.896 -1.187 -0.634) 1.617 5.388 ( -0.795 0.781 -1.235) 1.663 5.420 ( -2.250 -1.998 -2.443) 3.876 5.678 ( 1.191 1.495 0.652) 2.020 5.709 ( 1.098 -1.681 1.116) 2.298 5.802 ( -0.850 1.413 -0.465) 1.714 5.825 ( -0.178 -0.773 -0.575) 0.980 5.976 ( -1.991 6.348 -3.187) 7.377 6.080 ( -3.033 -4.178 -5.566) 7.592 ======================= Grid point 89 (47/116) ======================= q-point: ( 0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -1.486 14.664 4.978) 15.557 1.550 ( 4.582 12.584 4.810) 14.229 1.689 ( -4.056 -11.356 4.859) 13.001 1.806 ( 4.302 -9.241 5.747) 11.702 1.967 ( -3.230 0.600 1.191) 3.494 1.980 ( -0.727 0.680 -4.053) 4.173 2.126 ( -5.234 5.610 -5.312) 9.332 2.182 ( 0.385 -0.993 -3.864) 4.008 2.256 ( -2.100 3.839 -1.964) 4.796 2.296 ( -2.065 -0.235 -0.063) 2.080 2.395 ( -2.299 -1.589 -1.700) 3.272 2.424 ( -2.871 -2.522 -2.783) 4.728 2.498 ( -1.875 0.156 0.278) 1.902 2.548 ( 0.661 -3.886 -3.326) 5.157 2.726 ( -1.599 3.938 0.080) 4.251 2.794 ( -0.631 1.076 2.466) 2.763 2.849 ( 1.658 7.824 0.728) 8.031 2.962 ( 3.054 -2.797 1.149) 4.298 3.012 ( 3.643 -2.707 -1.470) 4.771 3.082 ( 0.406 -7.365 -0.656) 7.405 3.377 ( 0.252 8.722 4.660) 9.892 3.526 ( -1.972 -4.719 6.618) 8.364 3.684 ( 5.059 1.759 3.818) 6.578 3.775 ( 8.524 -7.900 0.515) 11.633 4.232 ( -0.105 5.075 3.139) 5.969 4.276 ( -1.663 0.569 0.001) 1.758 4.414 ( -0.911 0.781 0.040) 1.201 4.469 ( 1.386 -4.734 -0.092) 4.934 4.521 ( 1.628 5.135 -1.099) 5.498 4.614 ( 2.593 -3.327 0.204) 4.223 4.718 ( -1.047 2.471 0.912) 2.834 4.760 ( -0.608 -1.876 1.564) 2.517 4.823 ( -2.404 2.997 -1.431) 4.100 4.877 ( -1.543 1.131 -0.456) 1.967 4.983 ( -0.955 -0.302 -0.038) 1.002 5.032 ( -1.512 -4.206 -0.233) 4.475 5.096 ( -1.058 2.803 0.026) 2.996 5.159 ( 0.625 -2.388 -0.125) 2.471 5.280 ( -0.669 2.149 -2.822) 3.609 5.317 ( -0.163 -1.850 -1.664) 2.493 5.371 ( -0.959 0.166 -0.172) 0.988 5.391 ( 0.974 -1.754 0.304) 2.029 5.674 ( -2.020 1.488 0.921) 2.672 5.703 ( -2.092 -1.496 1.541) 2.999 5.792 ( 0.258 2.062 -0.908) 2.268 5.828 ( 0.797 -1.172 -1.464) 2.038 5.936 ( -1.296 4.040 -2.958) 5.172 6.014 ( -2.185 -3.826 -4.732) 6.465 ======================= Grid point 90 (48/116) ======================= q-point: ( 0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( 1.228 7.557 3.425) 8.388 1.550 ( -3.616 -4.336 1.510) 5.844 1.694 ( 1.342 7.213 5.344) 9.077 1.826 ( -4.968 6.003 -0.385) 7.801 1.915 ( -2.617 -9.732 3.895) 10.805 1.951 ( -2.269 -3.698 -1.532) 4.601 2.002 ( -3.400 7.463 -3.672) 8.986 2.118 ( -3.826 -2.540 -0.906) 4.680 2.242 ( 0.008 -0.517 -0.511) 0.727 2.269 ( -0.698 -0.888 0.797) 1.383 2.362 ( -0.002 1.313 -3.373) 3.620 2.419 ( 2.306 -3.359 -4.150) 5.816 2.483 ( -0.047 3.102 -1.249) 3.345 2.569 ( 2.093 -5.604 -3.381) 6.872 2.706 ( -0.541 4.613 0.621) 4.686 2.779 ( -0.217 -2.411 -1.825) 3.031 2.918 ( 3.824 6.483 3.709) 8.391 3.024 ( 2.709 -4.443 -0.025) 5.203 3.065 ( 1.258 -0.211 -0.302) 1.311 3.105 ( 2.520 -4.632 3.653) 6.415 3.400 ( 0.165 6.464 3.664) 7.432 3.501 ( -1.525 -2.640 3.727) 4.815 3.770 ( 3.162 6.653 3.607) 8.202 3.909 ( 5.089 -5.755 -0.367) 7.691 4.216 ( -1.812 3.433 1.239) 4.075 4.241 ( -1.458 0.396 -0.531) 1.601 4.428 ( 1.135 0.301 1.192) 1.673 4.466 ( -0.784 -1.333 0.958) 1.819 4.567 ( 2.800 3.780 -0.379) 4.719 4.650 ( 0.269 -1.111 -1.008) 1.524 4.706 ( 1.039 -1.497 0.501) 1.890 4.749 ( -0.856 -2.728 0.199) 2.866 4.778 ( -2.034 4.082 -0.690) 4.613 4.859 ( -0.271 0.866 1.799) 2.015 4.952 ( -3.458 -2.417 0.776) 4.290 5.009 ( -0.396 -4.695 1.046) 4.826 5.059 ( -1.791 4.848 -1.214) 5.309 5.152 ( -1.201 -3.668 -0.528) 3.896 5.262 ( -0.154 2.809 -2.015) 3.460 5.303 ( -0.009 -0.923 -0.966) 1.336 5.381 ( 0.701 1.230 0.893) 1.674 5.419 ( 1.285 -2.867 0.594) 3.197 5.625 ( -2.594 1.375 0.196) 2.943 5.655 ( -2.684 -1.732 0.545) 3.241 5.803 ( 0.924 2.938 -1.397) 3.382 5.838 ( 0.358 -0.489 -1.530) 1.646 5.913 ( -0.629 2.533 -2.720) 3.770 5.985 ( 0.062 -4.839 -4.184) 6.397 ======================= Grid point 91 (49/116) ======================= q-point: (-0.50 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -1.896 2.058 2.270) 3.603 1.508 ( -0.755 -5.237 1.381) 5.468 1.673 ( -4.229 9.042 1.775) 10.139 1.731 ( -2.458 9.277 -0.233) 9.600 1.833 ( -3.687 -4.483 -1.050) 5.899 1.878 ( -2.894 -4.002 -4.787) 6.878 2.018 ( 1.836 -1.176 0.474) 2.231 2.107 ( 2.010 -3.253 -0.843) 3.916 2.239 ( 0.428 0.926 1.097) 1.498 2.293 ( 2.328 -2.567 3.205) 4.720 2.369 ( 0.839 4.442 -3.652) 5.811 2.450 ( 1.503 -3.040 -2.533) 4.233 2.485 ( 0.668 4.663 -1.538) 4.955 2.602 ( 1.879 -6.792 -3.232) 7.753 2.705 ( 0.209 4.972 1.359) 5.158 2.781 ( 1.005 -2.587 -2.008) 3.426 2.994 ( 2.830 2.342 2.884) 4.670 3.043 ( -0.795 -2.085 0.906) 2.408 3.087 ( 0.481 0.574 3.135) 3.223 3.147 ( 0.483 -5.042 3.472) 6.141 3.385 ( -2.105 6.560 4.670) 8.323 3.492 ( -0.266 -3.606 0.548) 3.657 3.791 ( -2.245 10.275 1.746) 10.661 3.957 ( 0.494 -4.709 -1.221) 4.890 4.196 ( -0.120 2.514 1.904) 3.156 4.233 ( 0.308 -0.882 0.761) 1.205 4.410 ( -1.726 2.981 -0.526) 3.484 4.485 ( 0.992 -4.434 1.033) 4.659 4.623 ( 2.171 4.856 1.845) 5.631 4.644 ( 1.303 4.202 -1.684) 4.711 4.708 ( -1.512 -1.513 0.669) 2.241 4.741 ( -0.377 -2.155 -0.183) 2.195 4.772 ( 1.482 0.338 -1.239) 1.961 4.859 ( -3.414 -5.507 -1.460) 6.642 4.889 ( 0.894 3.509 4.320) 5.637 4.989 ( -1.314 -5.588 0.961) 5.820 5.068 ( 2.014 3.095 1.163) 3.871 5.142 ( 0.772 -3.539 -0.590) 3.670 5.265 ( 0.589 3.535 -1.258) 3.798 5.309 ( 0.514 -0.743 -0.049) 0.905 5.379 ( -1.007 1.508 -0.214) 1.826 5.425 ( -0.984 -3.525 0.330) 3.675 5.597 ( -0.080 1.204 -0.222) 1.227 5.624 ( -0.332 -1.604 -0.492) 1.711 5.814 ( 0.419 2.867 -1.608) 3.313 5.830 ( -0.712 0.440 -2.090) 2.251 5.900 ( 0.036 2.643 -2.897) 3.922 5.989 ( 0.982 -5.908 -3.401) 6.887 ======================= Grid point 92 (50/116) ======================= q-point: (-0.38 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -5.355 7.494 1.665) 9.360 1.508 ( 0.339 -7.075 -0.167) 7.085 1.573 ( -5.833 9.341 1.912) 11.178 1.725 ( -1.234 2.178 -1.677) 3.013 1.792 ( 1.115 -3.223 -0.937) 3.537 1.901 ( 6.070 -5.608 -4.392) 9.359 2.050 ( 2.380 1.973 -1.630) 3.495 2.152 ( 2.823 -4.518 -2.798) 6.018 2.264 ( 1.030 4.184 2.012) 4.756 2.346 ( 2.022 -3.492 1.782) 4.411 2.373 ( 0.701 6.196 -1.521) 6.418 2.464 ( 0.493 -2.289 -0.386) 2.373 2.500 ( 1.236 3.686 -2.411) 4.575 2.615 ( 0.291 -6.026 -2.541) 6.546 2.726 ( 1.808 5.364 2.863) 6.344 2.819 ( 3.691 -3.202 -1.226) 5.038 2.982 ( -6.162 2.571 2.380) 7.088 3.013 ( -1.095 -0.845 0.534) 1.482 3.095 ( 0.058 0.214 2.760) 2.768 3.152 ( -0.762 -5.480 4.405) 7.072 3.354 ( -2.504 7.278 3.733) 8.554 3.482 ( -1.323 -5.772 1.326) 6.068 3.719 ( -4.559 10.350 2.299) 11.541 3.925 ( -3.760 -9.247 0.830) 10.017 4.212 ( 0.539 3.018 3.533) 4.678 4.245 ( 0.709 -0.270 1.262) 1.473 4.387 ( -0.508 4.402 -1.674) 4.737 4.476 ( -2.118 -4.318 -2.278) 5.321 4.619 ( -0.448 4.105 0.167) 4.133 4.693 ( -0.080 -0.832 1.663) 1.861 4.704 ( 0.592 3.953 0.928) 4.104 4.755 ( 0.912 -0.558 1.462) 1.811 4.777 ( 1.248 0.165 -1.362) 1.854 4.797 ( 0.029 -0.223 -2.571) 2.581 4.960 ( 3.654 -2.172 3.317) 5.392 4.994 ( 1.819 -4.125 0.974) 4.612 5.108 ( 1.355 2.324 1.470) 3.066 5.165 ( 1.047 -2.892 -0.174) 3.080 5.280 ( 1.633 3.221 -1.966) 4.112 5.319 ( 0.821 -0.466 -0.880) 1.291 5.357 ( -0.699 0.476 0.576) 1.023 5.388 ( -2.551 -3.249 -0.110) 4.132 5.613 ( 1.316 0.974 -0.591) 1.740 5.633 ( 0.965 -1.143 -0.737) 1.668 5.800 ( -0.987 1.855 -2.094) 2.966 5.818 ( 0.090 0.506 -2.493) 2.546 5.908 ( 1.583 3.654 -2.733) 4.829 6.003 ( 1.417 -5.729 -2.855) 6.555 ======================= Grid point 93 (51/116) ======================= q-point: (-0.25 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -1.023 15.023 1.262) 15.111 1.437 ( -5.762 12.797 1.692) 14.136 1.579 ( 4.083 -13.027 0.407) 13.658 1.670 ( -2.951 -7.611 0.980) 8.222 1.858 ( 4.593 4.373 -3.110) 7.063 1.990 ( 3.266 -7.783 -4.045) 9.360 2.118 ( 4.545 3.252 -3.796) 6.756 2.197 ( 2.540 -2.370 -2.599) 4.339 2.264 ( -0.665 5.447 -1.026) 5.583 2.369 ( 1.205 -3.493 -0.982) 3.823 2.395 ( 0.683 5.711 2.110) 6.126 2.471 ( 0.400 -2.588 0.279) 2.634 2.519 ( 1.512 3.010 -3.095) 4.575 2.611 ( -0.071 -4.756 -1.620) 5.025 2.797 ( 4.729 6.737 4.448) 9.356 2.844 ( -6.302 7.371 4.587) 10.728 2.920 ( 4.415 0.230 0.757) 4.486 2.988 ( -0.156 -2.726 -1.915) 3.335 3.103 ( -0.056 -3.436 1.492) 3.747 3.120 ( -3.376 -3.819 4.142) 6.568 3.302 ( -3.588 4.767 1.553) 6.165 3.435 ( -4.474 -7.843 3.330) 9.624 3.656 ( -3.156 6.756 3.705) 8.326 3.830 ( -6.513 -11.157 3.849) 13.480 4.216 ( -1.025 4.822 3.541) 6.069 4.269 ( 1.512 0.509 2.368) 2.855 4.383 ( 0.529 0.894 -2.175) 2.410 4.409 ( -3.397 -2.549 -3.332) 5.398 4.620 ( 0.280 4.558 0.662) 4.615 4.679 ( -1.400 1.321 -0.950) 2.147 4.693 ( -1.671 0.259 1.347) 2.162 4.735 ( -0.152 -2.605 -0.011) 2.610 4.837 ( 3.622 2.495 -0.669) 4.448 4.859 ( 3.999 0.336 0.581) 4.055 5.008 ( 1.134 0.104 2.042) 2.338 5.041 ( 1.370 -2.923 1.855) 3.723 5.110 ( -1.185 1.680 0.194) 2.065 5.162 ( -1.151 -2.747 -1.148) 3.192 5.315 ( 1.534 1.583 -1.583) 2.714 5.340 ( 0.817 -0.914 -2.412) 2.705 5.354 ( 0.549 -0.432 1.296) 1.472 5.372 ( 2.261 -1.251 -0.317) 2.604 5.624 ( -0.077 0.731 -1.415) 1.595 5.641 ( 0.014 -1.048 -1.138) 1.547 5.791 ( 0.650 2.295 -1.610) 2.878 5.822 ( 0.819 -0.318 -1.863) 2.060 5.944 ( 2.719 4.292 -2.400) 5.619 6.037 ( 3.112 -4.921 -3.387) 6.736 ======================= Grid point 94 (52/116) ======================= q-point: (-0.12 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( 2.049 18.463 3.239) 18.856 1.364 ( -1.635 17.120 2.445) 17.370 1.623 ( -0.677 -12.478 3.966) 13.111 1.682 ( 4.311 -14.956 -0.647) 15.578 1.926 ( 3.450 4.708 -3.689) 6.905 2.021 ( 1.395 -4.593 -3.388) 5.875 2.145 ( -0.098 2.321 -4.648) 5.196 2.221 ( 0.076 -4.758 -3.293) 5.788 2.276 ( 2.740 7.680 -2.855) 8.640 2.387 ( -0.172 1.206 -0.773) 1.443 2.411 ( 1.489 3.147 1.239) 3.695 2.476 ( -0.080 -1.648 0.502) 1.725 2.541 ( 1.555 2.953 -3.948) 5.170 2.609 ( 0.236 -3.207 -1.042) 3.381 2.746 ( -4.182 11.398 6.514) 13.778 2.905 ( 3.633 2.559 5.472) 7.049 2.938 ( -2.493 2.357 1.510) 3.748 3.010 ( -5.350 1.270 2.808) 6.174 3.076 ( 6.532 -0.816 1.176) 6.687 3.172 ( 4.844 -5.860 -2.519) 8.009 3.240 ( -1.479 -2.206 0.376) 2.682 3.332 ( -6.630 -10.240 3.126) 12.593 3.592 ( -5.026 3.319 4.236) 7.363 3.715 ( -6.485 -10.353 5.675) 13.470 4.203 ( -0.824 5.642 3.073) 6.477 4.303 ( 0.706 -3.337 3.128) 4.628 4.353 ( -0.608 3.459 -1.747) 3.923 4.408 ( 2.014 -1.643 -1.699) 3.105 4.606 ( -2.094 2.914 -0.499) 3.623 4.649 ( -2.910 -0.660 0.657) 3.056 4.677 ( 1.477 3.304 -0.706) 3.687 4.748 ( 0.986 -2.913 1.498) 3.421 4.898 ( 2.426 1.506 -0.622) 2.923 4.911 ( 1.506 0.228 0.562) 1.623 5.017 ( -0.911 0.275 1.761) 2.001 5.024 ( -2.038 0.689 -0.492) 2.207 5.099 ( -0.201 -0.733 0.935) 1.205 5.135 ( -0.564 -3.106 -1.184) 3.372 5.316 ( -0.417 0.875 -1.047) 1.427 5.335 ( -0.861 -0.689 -1.756) 2.074 5.387 ( 1.554 1.573 0.080) 2.213 5.429 ( 2.865 -2.422 -1.910) 4.210 5.620 ( 0.542 0.953 -1.590) 1.931 5.641 ( 0.846 -1.287 -1.595) 2.217 5.806 ( 0.829 1.888 -0.462) 2.113 5.832 ( 0.333 -0.456 -0.498) 0.753 5.989 ( 2.358 6.003 -2.605) 6.955 6.098 ( 3.725 -4.883 -4.966) 7.898 ======================= Grid point 119 (53/116) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 0.363 0.000 19.189) 19.192 0.929 ( -0.884 0.000 20.982) 21.001 1.544 ( 0.898 0.000 30.926) 30.939 1.727 ( -2.664 0.000 -9.399) 9.769 1.862 ( -1.010 0.000 -3.949) 4.076 2.024 ( 1.953 0.000 2.612) 3.261 2.076 ( -2.981 0.000 1.920) 3.546 2.309 ( 4.629 0.000 2.287) 5.163 2.326 ( -0.883 0.000 -1.113) 1.420 2.401 ( -0.502 0.000 1.767) 1.837 2.417 ( 0.300 0.000 -3.357) 3.371 2.521 ( -1.223 0.000 -4.425) 4.591 2.605 ( 2.503 0.000 2.790) 3.748 2.620 ( -0.615 0.000 -0.994) 1.169 2.684 ( 4.723 0.000 -4.186) 6.311 2.806 ( 0.667 0.000 -2.088) 2.192 2.905 ( 0.368 0.000 2.133) 2.164 3.024 ( 0.418 0.000 -3.314) 3.341 3.066 ( 0.582 0.000 2.066) 2.146 3.137 ( -0.211 0.000 7.823) 7.826 3.341 ( -7.204 0.000 2.991) 7.800 3.639 ( 4.876 0.000 -4.593) 6.699 3.707 ( -4.847 0.000 -9.901) 11.024 3.962 ( -0.816 0.000 -1.568) 1.767 4.123 ( 0.047 0.000 3.347) 3.347 4.193 ( -1.657 0.000 -0.087) 1.659 4.325 ( 5.364 0.000 -2.894) 6.095 4.412 ( -1.415 0.000 3.290) 3.582 4.546 ( -6.023 0.000 0.282) 6.029 4.558 ( 3.326 0.000 -4.734) 5.785 4.719 ( 2.379 0.000 -1.262) 2.693 4.730 ( 0.811 0.000 2.254) 2.396 4.812 ( 2.220 0.000 -2.680) 3.480 4.878 ( -0.921 0.000 -0.961) 1.331 4.915 ( -0.176 0.000 2.143) 2.151 5.085 ( -4.055 0.000 -0.546) 4.092 5.116 ( -0.042 0.000 1.268) 1.269 5.205 ( 0.726 0.000 0.995) 1.232 5.250 ( 2.130 0.000 -1.716) 2.735 5.347 ( -1.908 0.000 -4.265) 4.673 5.425 ( 0.977 0.000 2.407) 2.598 5.589 ( 0.977 0.000 -1.196) 1.544 5.639 ( 1.484 0.000 0.731) 1.654 5.710 ( 1.145 0.000 1.292) 1.726 5.728 ( -0.514 0.000 -2.069) 2.132 5.804 ( 2.671 0.000 -0.681) 2.757 5.829 ( 2.457 0.000 3.046) 3.914 5.923 ( -5.624 0.000 0.300) 5.632 ======================= Grid point 120 (54/116) ======================= q-point: ( 0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 2.660 0.000 16.172) 16.390 1.046 ( 7.861 0.000 17.726) 19.391 1.615 ( -6.245 0.000 -8.820) 10.807 1.726 ( 10.145 0.000 23.083) 25.214 1.855 ( 1.117 0.000 -4.039) 4.191 2.015 ( -4.040 0.000 5.467) 6.798 2.048 ( 0.157 0.000 2.112) 2.118 2.289 ( -2.070 0.000 -0.828) 2.230 2.384 ( 2.106 0.000 3.701) 4.258 2.393 ( -0.982 0.000 3.160) 3.309 2.408 ( -0.367 0.000 -2.743) 2.767 2.523 ( 2.974 0.000 -7.629) 8.188 2.576 ( -3.986 0.000 0.071) 3.987 2.687 ( 4.476 0.000 4.714) 6.501 2.746 ( 1.695 0.000 -4.091) 4.428 2.805 ( -0.611 0.000 -1.371) 1.501 2.909 ( 0.080 0.000 -1.206) 1.208 3.038 ( 0.788 0.000 1.051) 1.314 3.104 ( -3.066 0.000 -0.635) 3.131 3.109 ( 2.511 0.000 2.731) 3.710 3.218 ( -6.487 0.000 7.106) 9.621 3.624 ( -0.351 0.000 -12.964) 12.968 3.653 ( -2.724 0.000 -3.277) 4.261 3.917 ( -3.152 0.000 -2.270) 3.884 4.132 ( 0.143 0.000 2.745) 2.749 4.197 ( 2.129 0.000 -0.503) 2.188 4.360 ( -4.221 0.000 3.203) 5.299 4.388 ( -1.443 0.000 1.467) 2.058 4.451 ( -0.485 0.000 -3.328) 3.363 4.631 ( 4.810 0.000 -3.546) 5.976 4.732 ( -1.284 0.000 4.215) 4.406 4.796 ( 5.447 0.000 -3.538) 6.496 4.818 ( -1.013 0.000 -4.010) 4.136 4.858 ( -0.761 0.000 0.152) 0.776 4.888 ( -1.876 0.000 3.099) 3.623 5.034 ( -1.007 0.000 -0.260) 1.040 5.115 ( -0.440 0.000 2.185) 2.228 5.243 ( 1.800 0.000 2.658) 3.210 5.266 ( -1.348 0.000 -1.890) 2.321 5.301 ( -0.508 0.000 -4.264) 4.295 5.440 ( -0.208 0.000 2.639) 2.648 5.589 ( -0.513 0.000 -1.972) 2.038 5.683 ( 2.652 0.000 0.860) 2.788 5.703 ( -1.403 0.000 -1.751) 2.244 5.741 ( 1.482 0.000 1.650) 2.217 5.827 ( -4.483 0.000 1.283) 4.663 5.865 ( 0.535 0.000 3.400) 3.442 5.872 ( 4.944 0.000 -5.923) 7.715 ======================= Grid point 121 (55/116) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 10.636 0.000 8.734) 13.762 1.264 ( 10.844 0.000 12.140) 16.278 1.483 ( -5.360 0.000 -6.793) 8.653 1.847 ( -0.992 0.000 -6.627) 6.701 1.892 ( -0.449 0.000 4.980) 5.000 2.040 ( -1.914 0.000 3.734) 4.196 2.049 ( 7.735 0.000 18.229) 19.802 2.266 ( 0.179 0.000 1.132) 1.146 2.332 ( -7.839 0.000 -0.624) 7.864 2.381 ( -1.037 0.000 3.863) 4.000 2.402 ( -0.443 0.000 -2.137) 2.183 2.546 ( 1.864 0.000 5.597) 5.899 2.586 ( 4.856 0.000 -6.642) 8.228 2.705 ( -4.813 0.000 -1.487) 5.037 2.779 ( 3.666 0.000 6.775) 7.703 2.779 ( -2.207 0.000 0.796) 2.346 2.911 ( 1.357 0.000 -4.925) 5.108 2.999 ( -3.540 0.000 -0.479) 3.572 3.059 ( -4.658 0.000 3.333) 5.727 3.154 ( 1.469 0.000 1.116) 1.845 3.180 ( 3.067 0.000 1.691) 3.502 3.530 ( -9.003 0.000 -2.394) 9.315 3.646 ( 5.337 0.000 -14.086) 15.063 3.839 ( -4.607 0.000 -3.039) 5.519 4.129 ( -1.725 0.000 1.737) 2.448 4.254 ( 3.244 0.000 0.252) 3.254 4.260 ( -4.320 0.000 6.420) 7.738 4.375 ( 0.528 0.000 -1.413) 1.509 4.475 ( 1.833 0.000 -1.627) 2.451 4.694 ( -3.569 0.000 2.620) 4.427 4.700 ( 2.785 0.000 -4.295) 5.119 4.789 ( -0.319 0.000 -2.759) 2.778 4.839 ( -1.295 0.000 -1.438) 1.935 4.854 ( 0.434 0.000 2.496) 2.534 4.913 ( 3.823 0.000 -1.695) 4.182 5.037 ( 0.808 0.000 0.731) 1.090 5.115 ( 0.220 0.000 2.473) 2.483 5.211 ( -2.606 0.000 -2.870) 3.876 5.264 ( -0.203 0.000 3.033) 3.040 5.302 ( 0.519 0.000 -1.825) 1.898 5.424 ( -1.985 0.000 2.350) 3.076 5.570 ( -0.888 0.000 -2.207) 2.379 5.673 ( -1.556 0.000 -0.711) 1.711 5.729 ( 1.966 0.000 0.158) 1.972 5.760 ( -2.598 0.000 0.998) 2.784 5.764 ( 0.498 0.000 0.625) 0.799 5.863 ( -1.481 0.000 3.622) 3.913 5.958 ( 5.659 0.000 -8.555) 10.257 ======================= Grid point 122 (56/116) ======================= q-point: ( 0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 12.271 0.000 3.307) 12.709 1.393 ( -2.439 0.000 -3.849) 4.557 1.475 ( 7.452 0.000 8.808) 11.538 1.763 ( -4.744 0.000 0.527) 4.773 1.896 ( -0.011 0.000 1.197) 1.197 1.973 ( -6.085 0.000 4.281) 7.440 2.172 ( 1.587 0.000 0.972) 1.861 2.203 ( -3.087 0.000 -0.543) 3.134 2.333 ( 4.012 0.000 5.608) 6.895 2.386 ( 1.651 0.000 6.382) 6.593 2.388 ( -0.567 0.000 -1.514) 1.617 2.587 ( -3.458 0.000 -2.085) 4.038 2.617 ( -2.022 0.000 5.571) 5.927 2.656 ( 3.696 0.000 -2.435) 4.426 2.729 ( -1.976 0.000 9.736) 9.934 2.839 ( 0.337 0.000 9.135) 9.141 2.929 ( -4.055 0.000 -0.818) 4.136 2.941 ( 2.167 0.000 -9.367) 9.614 2.993 ( -1.018 0.000 -3.072) 3.237 3.155 ( -1.246 0.000 0.091) 1.249 3.282 ( 6.188 0.000 1.507) 6.369 3.359 ( -6.549 0.000 -1.974) 6.841 3.724 ( 5.363 0.000 -11.414) 12.611 3.734 ( -5.346 0.000 -3.053) 6.156 4.079 ( -3.087 0.000 3.101) 4.376 4.254 ( 1.119 0.000 5.871) 5.976 4.288 ( 0.168 0.000 1.667) 1.675 4.422 ( 4.840 0.000 -4.840) 6.845 4.495 ( -0.339 0.000 2.129) 2.156 4.623 ( -3.469 0.000 -0.587) 3.518 4.700 ( -0.908 0.000 -5.985) 6.053 4.795 ( -0.326 0.000 -2.000) 2.026 4.816 ( 0.589 0.000 -2.945) 3.003 4.861 ( -0.326 0.000 3.204) 3.221 4.951 ( 0.202 0.000 -1.306) 1.321 5.058 ( 0.975 0.000 2.211) 2.417 5.144 ( 2.157 0.000 1.943) 2.903 5.171 ( -0.936 0.000 -2.125) 2.322 5.256 ( -0.878 0.000 1.743) 1.952 5.311 ( 0.929 0.000 -0.715) 1.172 5.384 ( -2.694 0.000 2.278) 3.528 5.551 ( -0.405 0.000 -2.137) 2.175 5.638 ( -1.910 0.000 0.104) 1.913 5.741 ( 0.114 0.000 0.669) 0.679 5.752 ( 0.248 0.000 -1.891) 1.907 5.758 ( -0.933 0.000 0.419) 1.023 5.831 ( -2.632 0.000 3.628) 4.482 6.037 ( 4.639 0.000 -8.323) 9.528 ======================= Grid point 123 (57/116) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -2.436 0.000 0.806) 2.565 1.363 ( -5.302 0.000 1.527) 5.518 1.551 ( -0.870 0.000 4.649) 4.729 1.774 ( 5.560 0.000 1.345) 5.720 1.896 ( 0.228 0.000 6.902) 6.905 1.918 ( 1.118 0.000 1.084) 1.558 2.175 ( -0.291 0.000 -2.104) 2.124 2.193 ( -0.886 0.000 3.085) 3.209 2.364 ( 0.559 0.000 -1.523) 1.623 2.376 ( -0.253 0.000 1.308) 1.333 2.448 ( 0.480 0.000 5.191) 5.214 2.492 ( -3.919 0.000 -1.308) 4.132 2.563 ( -2.719 0.000 4.603) 5.347 2.681 ( -3.440 0.000 -1.547) 3.772 2.797 ( 3.692 0.000 8.551) 9.314 2.842 ( -0.652 0.000 10.469) 10.489 2.859 ( -2.438 0.000 -0.828) 2.574 2.896 ( -2.508 0.000 -1.972) 3.190 2.993 ( 1.457 0.000 -5.088) 5.293 3.144 ( -1.216 0.000 -3.199) 3.422 3.335 ( 4.938 0.000 -5.828) 7.639 3.396 ( 5.138 0.000 2.501) 5.715 3.648 ( -2.380 0.000 -3.272) 4.046 3.785 ( 3.598 0.000 -8.400) 9.139 4.046 ( -1.302 0.000 3.850) 4.064 4.290 ( 0.058 0.000 0.955) 0.957 4.300 ( 1.451 0.000 7.181) 7.326 4.452 ( -3.626 0.000 1.464) 3.910 4.495 ( 3.314 0.000 -5.201) 6.167 4.597 ( 0.787 0.000 -1.393) 1.600 4.661 ( -1.413 0.000 -6.736) 6.882 4.777 ( 0.019 0.000 -4.042) 4.042 4.822 ( -0.254 0.000 -1.385) 1.408 4.856 ( -0.761 0.000 1.585) 1.758 4.926 ( -2.257 0.000 0.692) 2.361 5.083 ( 1.036 0.000 3.500) 3.650 5.167 ( 0.897 0.000 -2.040) 2.229 5.178 ( 0.494 0.000 2.248) 2.302 5.246 ( -0.506 0.000 -1.385) 1.475 5.335 ( 1.579 0.000 -0.022) 1.579 5.345 ( -1.729 0.000 3.721) 4.103 5.550 ( 0.923 0.000 -1.801) 2.024 5.619 ( 0.081 0.000 0.443) 0.450 5.715 ( -2.363 0.000 -3.269) 4.033 5.748 ( -1.427 0.000 1.456) 2.039 5.754 ( 0.808 0.000 0.737) 1.094 5.786 ( -2.625 0.000 1.854) 3.214 6.090 ( 2.899 0.000 -7.213) 7.774 ======================= Grid point 124 (58/116) ======================= q-point: (-0.38 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.167 ( -13.802 0.000 2.958) 14.115 1.293 ( -4.629 0.000 4.070) 6.164 1.531 ( 0.035 0.000 -0.041) 0.054 1.779 ( -4.804 0.000 5.576) 7.360 1.984 ( 3.830 0.000 2.668) 4.667 2.016 ( 6.638 0.000 10.736) 12.622 2.122 ( -5.556 0.000 3.570) 6.604 2.160 ( -0.973 0.000 -2.938) 3.095 2.322 ( -6.339 0.000 -0.093) 6.340 2.390 ( 0.811 0.000 -1.194) 1.444 2.421 ( -1.242 0.000 -0.252) 1.267 2.485 ( 1.954 0.000 0.685) 2.071 2.583 ( 4.621 0.000 2.997) 5.508 2.604 ( -2.007 0.000 5.719) 6.061 2.781 ( -2.768 0.000 -2.710) 3.873 2.820 ( -2.207 0.000 0.105) 2.210 2.883 ( -3.850 0.000 3.911) 5.488 2.909 ( 3.065 0.000 9.372) 9.861 3.014 ( 1.822 0.000 -4.931) 5.256 3.142 ( 5.464 0.000 -6.614) 8.579 3.392 ( -0.903 0.000 -4.788) 4.873 3.474 ( 2.437 0.000 2.685) 3.626 3.674 ( 7.154 0.000 -6.848) 9.903 3.826 ( 2.657 0.000 -6.732) 7.237 4.049 ( 0.813 0.000 4.174) 4.252 4.280 ( -5.227 0.000 7.030) 8.760 4.293 ( -0.167 0.000 0.825) 0.841 4.456 ( 4.077 0.000 0.308) 4.089 4.508 ( -0.497 0.000 -4.903) 4.928 4.623 ( -0.965 0.000 -6.407) 6.480 4.623 ( 1.694 0.000 -0.400) 1.741 4.774 ( -0.744 0.000 -2.566) 2.672 4.813 ( 1.000 0.000 -1.238) 1.591 4.836 ( -1.495 0.000 -1.644) 2.222 4.886 ( -2.245 0.000 4.166) 4.732 5.111 ( 1.056 0.000 3.657) 3.806 5.172 ( -1.598 0.000 0.412) 1.650 5.192 ( 2.191 0.000 -2.546) 3.359 5.224 ( -0.981 0.000 -0.231) 1.008 5.345 ( 0.563 0.000 4.029) 4.068 5.363 ( 1.178 0.000 0.325) 1.222 5.578 ( 2.223 0.000 -1.600) 2.739 5.642 ( 2.002 0.000 0.677) 2.113 5.663 ( -2.155 0.000 -2.882) 3.599 5.705 ( -2.975 0.000 1.497) 3.331 5.750 ( -1.585 0.000 0.308) 1.615 5.768 ( 0.479 0.000 0.836) 0.963 6.111 ( 0.827 0.000 -6.063) 6.119 ======================= Grid point 125 (59/116) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -12.558 0.000 7.722) 14.742 1.165 ( -10.698 0.000 11.519) 15.721 1.597 ( 7.565 0.000 -6.615) 10.049 1.676 ( -8.327 0.000 16.331) 18.331 1.993 ( -2.860 0.000 6.255) 6.878 2.041 ( -7.243 0.000 4.124) 8.335 2.121 ( 4.491 0.000 -1.004) 4.602 2.126 ( -0.103 0.000 0.256) 0.276 2.266 ( 1.115 0.000 4.874) 5.000 2.401 ( 1.007 0.000 -3.242) 3.395 2.413 ( 0.019 0.000 -2.127) 2.127 2.526 ( 2.487 0.000 0.848) 2.627 2.593 ( -1.923 0.000 5.676) 5.993 2.683 ( 1.909 0.000 -3.184) 3.713 2.747 ( 1.315 0.000 2.389) 2.727 2.754 ( -6.948 0.000 -4.029) 8.032 2.816 ( 0.748 0.000 4.223) 4.289 2.977 ( 2.573 0.000 8.688) 9.061 3.036 ( 1.531 0.000 -4.040) 4.320 3.252 ( -1.990 0.000 -4.233) 4.678 3.337 ( 5.737 0.000 -8.215) 10.020 3.495 ( -0.867 0.000 2.206) 2.370 3.825 ( 8.612 0.000 -5.969) 10.479 3.847 ( 0.781 0.000 -6.975) 7.019 4.099 ( 3.706 0.000 2.611) 4.534 4.195 ( -4.436 0.000 5.232) 6.860 4.282 ( -1.304 0.000 1.146) 1.736 4.469 ( -2.465 0.000 -2.425) 3.458 4.550 ( 4.956 0.000 0.768) 5.015 4.584 ( -1.675 0.000 -5.638) 5.882 4.660 ( 1.983 0.000 0.690) 2.099 4.749 ( -0.221 0.000 -1.627) 1.642 4.790 ( -2.889 0.000 -2.172) 3.614 4.851 ( 2.494 0.000 -1.442) 2.881 4.866 ( -1.031 0.000 4.778) 4.888 5.132 ( -1.827 0.000 -0.500) 1.895 5.138 ( 1.160 0.000 1.906) 2.231 5.220 ( 0.042 0.000 1.256) 1.256 5.227 ( 1.541 0.000 -2.021) 2.541 5.372 ( 1.206 0.000 3.027) 3.258 5.372 ( -0.225 0.000 -0.122) 0.256 5.596 ( -0.272 0.000 -3.846) 3.855 5.628 ( -1.405 0.000 0.580) 1.520 5.684 ( 2.057 0.000 1.129) 2.346 5.685 ( 1.311 0.000 0.123) 1.317 5.728 ( -0.464 0.000 1.117) 1.210 5.775 ( 0.115 0.000 0.843) 0.850 6.092 ( -1.642 0.000 -4.921) 5.187 ======================= Grid point 126 (60/116) ======================= q-point: (-0.12 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -3.601 0.000 15.896) 16.299 0.992 ( -9.787 0.000 18.245) 20.704 1.561 ( -8.313 0.000 27.448) 28.679 1.724 ( 5.787 0.000 -9.837) 11.413 1.919 ( -4.720 0.000 -1.352) 4.910 1.981 ( 0.649 0.000 4.708) 4.753 2.115 ( -1.477 0.000 1.024) 1.798 2.212 ( 5.115 0.000 -0.241) 5.121 2.312 ( 1.909 0.000 2.710) 3.314 2.407 ( -0.327 0.000 -0.379) 0.501 2.412 ( 0.993 0.000 -3.788) 3.916 2.558 ( -2.252 0.000 3.324) 4.015 2.586 ( 3.665 0.000 -0.205) 3.671 2.627 ( -4.732 0.000 -3.144) 5.681 2.659 ( -1.206 0.000 -2.523) 2.796 2.792 ( 1.488 0.000 -1.085) 1.842 2.869 ( 2.745 0.000 3.852) 4.730 3.027 ( 0.601 0.000 -2.123) 2.207 3.080 ( 3.422 0.000 7.906) 8.615 3.120 ( -6.346 0.000 -2.028) 6.662 3.449 ( -4.527 0.000 1.766) 4.859 3.508 ( 9.987 0.000 -6.878) 12.126 3.810 ( -3.078 0.000 -8.287) 8.840 3.937 ( 4.113 0.000 -2.497) 4.812 4.129 ( -1.722 0.000 3.405) 3.816 4.215 ( 6.058 0.000 -0.223) 6.062 4.244 ( -3.037 0.000 0.636) 3.103 4.427 ( -1.465 0.000 2.218) 2.658 4.545 ( -0.591 0.000 -5.341) 5.374 4.611 ( 0.327 0.000 -0.705) 0.777 4.694 ( 1.230 0.000 2.219) 2.537 4.730 ( -2.131 0.000 -1.758) 2.763 4.769 ( 2.467 0.000 -2.523) 3.529 4.880 ( 1.765 0.000 3.710) 4.108 4.882 ( 0.885 0.000 -0.981) 1.321 5.114 ( -0.245 0.000 0.466) 0.527 5.151 ( -1.243 0.000 -0.116) 1.248 5.215 ( -0.934 0.000 0.178) 0.951 5.226 ( -0.106 0.000 -1.277) 1.281 5.369 ( 0.188 0.000 -2.338) 2.346 5.400 ( 1.126 0.000 2.209) 2.479 5.579 ( -0.122 0.000 -2.120) 2.123 5.620 ( 0.454 0.000 0.453) 0.641 5.698 ( 0.085 0.000 0.172) 0.191 5.720 ( 1.443 0.000 0.493) 1.525 5.766 ( 3.253 0.000 2.487) 4.095 5.779 ( 0.220 0.000 0.913) 0.939 6.025 ( -4.469 0.000 -2.821) 5.285 ======================= Grid point 127 (61/116) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.952 9.946 17.048) 19.760 1.020 ( 0.097 9.017 17.174) 19.397 1.659 ( 1.211 8.142 14.431) 16.614 1.759 ( -1.116 5.123 -2.007) 5.615 1.912 ( -1.179 5.092 -2.085) 5.627 2.045 ( 0.866 2.438 3.345) 4.229 2.077 ( -2.454 0.070 1.864) 3.082 2.220 ( 3.078 -6.955 1.146) 7.691 2.308 ( 0.791 -5.648 1.295) 5.848 2.338 ( -0.511 -4.010 -2.375) 4.689 2.418 ( -0.037 -0.109 -2.449) 2.452 2.489 ( -0.343 -2.282 -0.428) 2.348 2.518 ( 0.205 -3.306 -0.424) 3.339 2.647 ( 1.895 0.210 0.776) 2.059 2.771 ( 1.509 4.726 -4.991) 7.037 2.815 ( -0.667 1.025 -0.476) 1.312 2.903 ( 1.872 -1.546 2.956) 3.826 2.984 ( -1.503 -1.530 1.866) 2.843 3.035 ( 1.299 0.124 -1.958) 2.353 3.210 ( -1.848 2.028 1.382) 3.072 3.363 ( -2.772 3.676 7.282) 8.615 3.602 ( 1.446 -4.078 -4.199) 6.029 3.647 ( -3.838 -5.643 -6.302) 9.289 3.973 ( 0.262 0.724 -1.130) 1.367 4.153 ( -0.177 4.425 0.593) 4.468 4.187 ( -0.143 0.763 0.136) 0.788 4.302 ( 3.441 -2.838 -1.427) 4.683 4.467 ( -3.218 2.006 1.924) 4.253 4.533 ( 0.638 3.447 1.806) 3.944 4.606 ( -0.090 -1.047 -3.918) 4.056 4.670 ( 0.513 -3.864 3.479) 5.225 4.767 ( 0.389 5.350 -1.809) 5.661 4.842 ( 1.359 1.075 -4.480) 4.803 4.864 ( -0.407 0.072 -0.135) 0.435 4.957 ( 0.628 3.600 2.519) 4.439 5.057 ( -2.820 -1.694 0.681) 3.359 5.139 ( -0.953 1.332 0.240) 1.655 5.183 ( 1.618 -1.271 0.058) 2.058 5.253 ( 0.283 -1.195 -2.794) 3.052 5.349 ( -1.860 0.142 -3.773) 4.209 5.418 ( 1.336 -1.006 1.871) 2.510 5.555 ( 1.031 -5.823 2.490) 6.417 5.619 ( 2.997 -0.392 -1.540) 3.393 5.640 ( -0.733 -2.040 -0.723) 2.285 5.751 ( 0.300 1.306 -0.294) 1.372 5.805 ( 2.498 0.760 2.672) 3.736 5.864 ( 0.005 1.365 -0.885) 1.627 5.974 ( -2.823 3.830 -3.187) 5.727 ======================= Grid point 128 (62/116) ======================= q-point: ( 0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 2.140 10.216 13.675) 17.204 1.118 ( 6.446 7.425 15.080) 18.002 1.652 ( -3.914 3.883 -8.201) 9.882 1.819 ( 6.027 6.731 9.114) 12.834 1.914 ( 1.871 6.937 3.676) 8.070 2.009 ( -3.989 0.175 3.437) 5.268 2.073 ( 0.518 2.090 4.611) 5.089 2.245 ( -1.018 -4.179 -0.348) 4.315 2.317 ( -0.302 -7.167 -0.135) 7.175 2.348 ( 2.159 -4.850 2.635) 5.927 2.411 ( -0.151 -0.226 -2.010) 2.028 2.494 ( 1.599 -1.459 -4.704) 5.179 2.513 ( -1.441 -3.592 0.215) 3.876 2.695 ( 2.467 0.554 3.973) 4.709 2.759 ( -1.853 -0.402 -1.426) 2.373 2.798 ( -1.164 -1.270 -0.729) 1.870 2.934 ( 0.315 -0.970 0.428) 1.106 2.968 ( -0.355 -1.001 0.020) 1.062 3.087 ( 3.402 -0.084 -0.526) 3.444 3.135 ( -4.475 0.109 -0.683) 4.528 3.302 ( -5.728 6.077 8.610) 11.994 3.573 ( 1.339 -3.579 -9.531) 10.268 3.625 ( -0.888 -2.450 -2.662) 3.725 3.954 ( -2.209 2.484 -1.063) 3.490 4.151 ( -0.082 3.023 0.298) 3.039 4.213 ( 2.633 1.889 0.126) 3.243 4.352 ( -1.978 -5.268 -0.047) 5.628 4.397 ( -0.257 3.260 0.674) 3.338 4.510 ( -2.437 8.264 1.847) 8.811 4.642 ( 3.047 -2.454 -2.551) 4.670 4.683 ( 0.643 -5.401 2.883) 6.156 4.788 ( 0.096 1.356 -1.782) 2.242 4.831 ( 0.476 2.492 -2.164) 3.335 4.855 ( -0.218 -0.244 -1.791) 1.820 4.948 ( -1.538 3.873 1.871) 4.568 5.020 ( -0.725 -0.482 0.481) 0.995 5.130 ( -0.340 1.377 1.189) 1.851 5.218 ( 0.688 -2.047 0.610) 2.244 5.255 ( 0.456 -2.136 -0.866) 2.350 5.304 ( -1.551 0.636 -4.439) 4.745 5.435 ( -0.115 -0.765 2.098) 2.236 5.577 ( 0.651 -5.571 1.167) 5.729 5.622 ( -0.481 -1.200 -1.939) 2.331 5.685 ( 3.540 0.311 -0.394) 3.575 5.750 ( -0.454 0.637 -0.217) 0.812 5.842 ( -1.543 0.694 -0.616) 1.800 5.848 ( 1.182 -0.556 2.789) 3.080 5.933 ( -0.265 3.685 -4.974) 6.196 ======================= Grid point 129 (63/116) ======================= q-point: ( 0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.089 ( 8.027 6.618 7.783) 12.992 1.306 ( 9.461 4.599 11.327) 15.459 1.546 ( -4.689 6.403 -6.870) 10.497 1.862 ( -1.805 1.520 -6.037) 6.482 1.940 ( -1.773 4.183 3.715) 5.869 1.990 ( -0.297 -1.960 6.698) 6.985 2.137 ( 3.274 4.503 10.865) 12.209 2.222 ( -0.182 -3.840 0.267) 3.854 2.277 ( -3.418 -3.657 -0.046) 5.006 2.389 ( 0.108 -2.394 2.576) 3.518 2.405 ( 0.530 -0.387 -1.946) 2.054 2.481 ( 0.266 -4.547 2.901) 5.400 2.543 ( 4.330 -2.850 -4.661) 6.971 2.675 ( -5.756 -3.030 -0.291) 6.511 2.744 ( -2.750 -2.408 4.166) 5.543 2.789 ( 2.846 0.403 5.137) 5.886 2.928 ( -1.843 -3.798 0.902) 4.317 2.948 ( -0.145 0.964 -6.825) 6.894 3.066 ( -1.778 1.341 -0.182) 2.234 3.171 ( 4.583 0.601 0.715) 4.678 3.218 ( -3.097 2.225 4.215) 5.684 3.552 ( -5.818 2.816 0.527) 6.485 3.642 ( 6.389 0.612 -10.805) 12.568 3.884 ( -4.792 3.476 -2.123) 6.289 4.144 ( -1.126 1.999 -0.426) 2.333 4.248 ( -1.461 -0.049 4.437) 4.672 4.298 ( 1.423 2.841 1.751) 3.627 4.442 ( 2.268 0.835 -1.983) 3.127 4.477 ( -0.910 6.314 -0.218) 6.383 4.645 ( -2.132 -3.656 2.923) 5.143 4.736 ( 2.826 -1.050 -3.363) 4.517 4.761 ( -0.498 -1.577 -0.202) 1.667 4.823 ( -0.494 2.127 -2.861) 3.600 4.885 ( 2.111 -2.079 -0.468) 3.000 4.918 ( -1.832 2.807 0.822) 3.451 5.027 ( 0.966 -0.204 0.992) 1.399 5.133 ( 0.523 1.843 1.235) 2.279 5.198 ( -1.678 -2.071 -1.349) 2.987 5.265 ( -0.531 0.287 1.517) 1.632 5.277 ( 0.012 -2.029 -2.148) 2.955 5.422 ( -1.717 -0.479 1.752) 2.500 5.577 ( -0.688 -0.899 -1.094) 1.575 5.616 ( 0.388 -3.993 -0.029) 4.012 5.714 ( -3.005 -0.357 0.844) 3.142 5.742 ( 2.272 0.856 -1.295) 2.752 5.827 ( -0.305 2.318 -0.482) 2.387 5.850 ( -1.685 -1.239 3.368) 3.965 5.951 ( 3.713 -0.663 -8.314) 9.130 ======================= Grid point 130 (64/116) ======================= q-point: ( 0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 10.337 2.491 2.488) 10.920 1.467 ( -2.143 6.320 -1.917) 6.943 1.488 ( 6.591 2.120 7.237) 10.015 1.772 ( -5.185 0.946 0.050) 5.270 1.909 ( -3.978 -0.558 2.931) 4.972 1.969 ( -1.608 1.683 2.892) 3.712 2.122 ( -2.552 -4.098 1.845) 5.168 2.188 ( -1.650 -2.025 -1.232) 2.888 2.333 ( 3.799 0.743 3.861) 5.467 2.385 ( -0.174 0.347 0.817) 0.905 2.414 ( 0.215 -0.895 0.210) 0.944 2.505 ( -2.604 -7.413 1.338) 7.970 2.559 ( -2.768 -5.242 2.847) 6.576 2.642 ( 6.223 -3.164 -2.621) 7.457 2.680 ( -3.522 -1.371 5.353) 6.553 2.828 ( -2.530 -5.025 -2.405) 6.119 2.898 ( 1.684 2.954 7.493) 8.228 2.962 ( 0.745 1.165 -4.809) 5.004 3.040 ( 1.003 4.625 -3.509) 5.892 3.221 ( 0.975 2.171 0.158) 2.385 3.271 ( 5.706 0.036 2.356) 6.173 3.416 ( -7.830 6.308 2.293) 10.313 3.735 ( 4.561 2.503 -8.699) 10.136 3.778 ( -4.786 2.775 -2.014) 5.888 4.109 ( -1.946 3.015 1.309) 3.820 4.256 ( 1.423 0.398 4.754) 4.979 4.334 ( 0.171 3.810 2.270) 4.438 4.469 ( 2.548 3.368 -3.592) 5.544 4.482 ( 0.495 0.254 0.278) 0.622 4.596 ( -3.097 -1.379 1.457) 3.690 4.713 ( -1.383 0.165 -4.745) 4.945 4.791 ( 0.052 -0.491 -2.057) 2.116 4.817 ( 0.366 0.240 -1.458) 1.523 4.896 ( -0.513 3.047 2.743) 4.131 4.909 ( 1.160 -3.962 -2.666) 4.914 5.050 ( 0.858 -0.606 2.453) 2.668 5.147 ( -0.164 0.541 0.990) 1.141 5.181 ( 1.103 -0.719 -2.297) 2.648 5.240 ( -1.847 -0.366 1.675) 2.521 5.293 ( 1.376 -1.858 0.962) 2.504 5.385 ( -2.320 0.235 1.029) 2.549 5.558 ( -0.701 0.405 -1.925) 2.089 5.631 ( 0.728 -2.733 0.605) 2.892 5.660 ( -2.258 -2.453 0.751) 3.418 5.761 ( -0.445 0.894 -2.064) 2.293 5.804 ( -1.500 -0.056 -0.193) 1.513 5.825 ( -1.574 0.703 2.316) 2.887 6.013 ( 4.302 -2.445 -8.079) 9.474 ======================= Grid point 131 (65/116) ======================= q-point: (-0.50 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( -3.148 2.648 1.636) 4.427 1.428 ( -4.356 5.220 0.430) 6.812 1.568 ( -1.018 1.628 4.428) 4.826 1.774 ( 7.614 -0.848 1.032) 7.731 1.847 ( -3.102 -3.973 7.545) 9.074 1.948 ( -0.074 1.670 -0.045) 1.672 2.125 ( 1.013 -3.870 3.976) 5.640 2.159 ( -1.419 -1.637 -0.720) 2.283 2.349 ( -3.589 -3.288 -1.168) 5.006 2.361 ( -2.162 -1.967 2.914) 4.127 2.402 ( 0.501 -2.889 0.578) 2.989 2.455 ( 0.559 -2.068 -2.982) 3.672 2.560 ( 0.246 -1.727 3.848) 4.225 2.643 ( -3.086 -1.980 2.133) 4.242 2.746 ( 4.530 -4.106 0.677) 6.151 2.779 ( -1.301 -2.708 -2.935) 4.200 2.942 ( 1.281 3.810 3.332) 5.221 2.966 ( 1.153 0.064 -2.737) 2.970 3.062 ( -0.853 10.735 1.147) 10.830 3.182 ( -3.983 3.349 1.452) 5.403 3.352 ( 1.653 1.984 -2.331) 3.479 3.390 ( 5.746 0.066 2.942) 6.456 3.678 ( -2.917 2.935 -3.112) 5.178 3.814 ( 4.074 2.607 -5.038) 6.984 4.087 ( -0.899 4.073 1.890) 4.579 4.307 ( 2.504 0.435 4.828) 5.457 4.310 ( -2.981 1.776 2.907) 4.527 4.476 ( -0.748 2.247 0.731) 2.478 4.517 ( 2.328 1.360 -4.114) 4.918 4.564 ( 0.087 -0.341 -0.873) 0.941 4.681 ( -0.815 0.482 -4.903) 4.994 4.770 ( -0.905 -0.635 -3.785) 3.943 4.800 ( -1.402 -1.274 -0.519) 1.964 4.891 ( -1.240 -0.077 4.972) 5.124 4.930 ( 1.218 2.719 -5.056) 5.868 5.075 ( 1.260 -1.100 3.755) 4.110 5.143 ( 0.095 -0.958 0.727) 1.207 5.205 ( 0.889 0.284 -2.321) 2.502 5.212 ( -1.124 -2.292 1.287) 2.859 5.328 ( 1.155 -0.795 3.520) 3.789 5.350 ( -0.829 0.736 0.090) 1.112 5.551 ( 0.632 0.059 -1.903) 2.006 5.626 ( -0.470 -0.026 0.122) 0.486 5.656 ( 0.484 -4.692 1.126) 4.849 5.716 ( -2.828 -0.385 -1.669) 3.306 5.780 ( -2.213 -0.442 0.889) 2.425 5.803 ( -0.323 1.638 -1.036) 1.965 6.065 ( 2.909 -2.635 -6.826) 7.874 ======================= Grid point 132 (66/116) ======================= q-point: (-0.38 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -12.513 3.871 3.216) 13.487 1.349 ( -5.224 5.396 4.143) 8.578 1.542 ( 0.089 1.239 0.482) 1.333 1.749 ( -5.685 -3.070 8.011) 10.292 1.966 ( 4.966 -1.268 2.101) 5.539 2.005 ( 5.442 -2.515 2.454) 6.478 2.123 ( -0.522 0.652 5.640) 5.702 2.140 ( -0.613 -0.851 -2.312) 2.538 2.282 ( -3.837 -4.145 0.433) 5.665 2.348 ( 0.447 -3.414 0.336) 3.460 2.419 ( 1.106 -1.324 -3.180) 3.618 2.478 ( 1.816 -1.978 -0.939) 2.845 2.573 ( -1.871 1.031 3.063) 3.734 2.599 ( 1.867 -1.133 2.586) 3.385 2.741 ( -2.304 -1.872 -1.087) 3.161 2.814 ( 2.079 -2.150 0.690) 3.069 2.911 ( -5.618 3.709 3.695) 7.680 2.971 ( -1.181 2.339 0.567) 2.681 3.028 ( 0.429 4.945 0.659) 5.007 3.200 ( 5.154 2.933 -3.113) 6.698 3.367 ( -1.176 -1.227 -2.960) 3.413 3.482 ( 2.758 0.849 2.272) 3.673 3.667 ( 2.911 0.318 -4.468) 5.342 3.883 ( 4.526 4.506 -4.554) 7.844 4.084 ( 0.167 3.734 2.616) 4.562 4.247 ( -4.066 -0.224 3.634) 5.459 4.346 ( -0.066 2.065 4.240) 4.716 4.491 ( 2.097 2.884 -0.600) 3.616 4.520 ( -0.073 0.993 -3.677) 3.810 4.583 ( 1.388 -0.815 -0.354) 1.648 4.662 ( -0.235 1.067 -4.407) 4.541 4.741 ( -1.502 -1.760 -1.983) 3.048 4.793 ( 1.410 -1.288 -1.769) 2.604 4.878 ( -1.262 -0.214 5.530) 5.676 4.914 ( -1.595 5.172 -3.836) 6.634 5.112 ( 1.656 0.054 2.601) 3.085 5.149 ( -0.332 -1.877 -0.601) 1.998 5.198 ( -0.179 -0.499 1.144) 1.261 5.209 ( 0.597 -0.820 -1.641) 1.929 5.331 ( -0.004 -0.703 2.334) 2.437 5.380 ( 1.936 0.899 1.826) 2.809 5.572 ( 1.698 -0.775 -2.321) 2.979 5.614 ( -1.867 -4.191 1.947) 4.984 5.657 ( -0.347 -1.873 -1.634) 2.509 5.685 ( 0.539 1.530 -0.235) 1.639 5.732 ( -2.539 -0.261 0.353) 2.577 5.802 ( 0.477 1.261 -1.411) 1.952 6.088 ( 1.038 -2.369 -5.618) 6.184 ======================= Grid point 133 (67/116) ======================= q-point: (-0.25 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -10.934 6.482 8.059) 15.051 1.210 ( -10.735 4.697 12.372) 17.040 1.613 ( 7.078 1.737 -5.513) 9.139 1.688 ( -2.930 1.316 10.246) 10.737 1.992 ( -1.661 0.848 0.318) 1.892 2.067 ( 3.096 -3.731 1.483) 5.069 2.091 ( -4.034 0.432 0.309) 4.069 2.167 ( -1.609 5.136 6.075) 8.116 2.242 ( 2.031 -4.146 2.345) 5.178 2.362 ( 0.601 -3.149 -1.867) 3.710 2.420 ( 0.037 0.355 -3.486) 3.504 2.478 ( -0.586 -3.052 1.447) 3.428 2.575 ( -0.232 -2.796 1.735) 3.299 2.663 ( 0.073 -2.010 1.080) 2.283 2.690 ( 0.024 0.586 -1.800) 1.893 2.808 ( -0.311 0.159 1.826) 1.859 2.869 ( -1.041 5.681 5.676) 8.098 2.961 ( 1.143 -0.729 2.715) 3.035 3.062 ( 2.872 1.829 -3.742) 5.060 3.244 ( -4.383 -1.545 -3.671) 5.922 3.341 ( 3.806 -0.282 -4.673) 6.033 3.514 ( 0.841 2.367 1.898) 3.148 3.732 ( 3.541 -4.495 -3.706) 6.818 3.943 ( 2.442 5.138 -5.424) 7.860 4.110 ( 1.809 2.116 2.221) 3.561 4.199 ( -1.449 1.515 4.463) 4.931 4.324 ( -2.712 2.599 1.670) 4.111 4.474 ( -1.418 -0.143 -2.419) 2.808 4.562 ( 1.546 1.555 -0.638) 2.284 4.603 ( 1.103 -1.301 0.953) 1.954 4.646 ( -0.454 -0.483 -1.543) 1.680 4.737 ( 2.219 1.397 -3.326) 4.236 4.824 ( 1.383 -1.721 -0.130) 2.211 4.865 ( -2.624 5.411 -2.868) 6.662 4.880 ( 0.607 1.270 4.794) 4.996 5.116 ( -1.783 -1.267 -0.014) 2.187 5.146 ( 1.270 0.132 -1.058) 1.658 5.203 ( -0.076 -0.714 1.829) 1.965 5.239 ( 2.167 0.362 -1.701) 2.778 5.344 ( 0.979 -1.224 0.876) 1.795 5.405 ( 0.065 1.601 1.764) 2.383 5.567 ( -2.167 -5.990 0.167) 6.372 5.584 ( -0.514 -1.512 -1.730) 2.354 5.670 ( 1.698 -1.267 0.731) 2.241 5.691 ( -0.536 -0.269 -0.534) 0.803 5.718 ( 1.516 2.428 0.780) 2.967 5.818 ( 1.521 2.017 -1.365) 2.871 6.078 ( -0.862 -1.494 -4.663) 4.972 ======================= Grid point 134 (68/116) ======================= q-point: (-0.12 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -2.508 9.258 14.978) 17.786 1.055 ( -7.979 6.769 16.796) 19.788 1.647 ( -2.664 6.226 14.007) 15.558 1.745 ( 4.813 2.982 -6.313) 8.480 1.955 ( -2.083 2.733 -3.781) 5.109 2.022 ( -1.839 4.639 7.713) 9.186 2.109 ( -0.723 -1.454 2.861) 3.290 2.163 ( 2.161 -3.606 -0.278) 4.213 2.286 ( 1.291 -3.652 2.396) 4.555 2.353 ( -0.716 -4.109 -2.085) 4.663 2.419 ( 0.491 -0.031 -2.542) 2.590 2.484 ( 0.623 -3.608 1.393) 3.917 2.545 ( -2.705 -2.376 -0.307) 3.613 2.627 ( -0.261 -0.638 1.370) 1.534 2.734 ( 3.138 3.228 -6.947) 8.278 2.831 ( -0.340 3.196 0.279) 3.226 2.861 ( 0.964 0.638 6.033) 6.142 2.996 ( 0.306 -2.234 3.030) 3.777 3.076 ( -3.699 0.809 -2.539) 4.559 3.177 ( 2.665 2.663 0.751) 3.842 3.387 ( 0.080 -3.957 -0.824) 4.043 3.551 ( 3.401 2.310 -1.838) 4.504 3.739 ( -2.537 -6.411 -3.807) 7.876 3.960 ( 1.202 2.255 -3.367) 4.226 4.144 ( 1.241 2.235 0.379) 2.584 4.201 ( -0.430 2.168 2.412) 3.271 4.276 ( -1.393 -0.185 0.844) 1.639 4.469 ( 1.351 3.042 -0.053) 3.329 4.538 ( -1.836 -1.145 -1.066) 2.412 4.632 ( -0.671 0.328 -1.553) 1.723 4.646 ( 1.252 -3.213 3.046) 4.601 4.787 ( 1.699 5.863 -3.445) 7.009 4.809 ( -0.605 2.854 -2.906) 4.117 4.854 ( 1.522 -1.262 0.430) 2.023 4.916 ( 2.024 2.782 3.501) 4.909 5.091 ( -1.079 -1.771 0.686) 2.184 5.160 ( 0.226 -0.052 -1.553) 1.571 5.185 ( -1.951 -0.651 0.522) 2.122 5.258 ( 0.267 0.739 -2.875) 2.980 5.368 ( 1.185 -0.367 -1.925) 2.290 5.397 ( -0.566 0.002 1.948) 2.029 5.541 ( -0.526 -5.944 2.060) 6.313 5.582 ( 1.043 -1.312 -1.618) 2.329 5.661 ( -1.136 -2.299 -0.475) 2.608 5.730 ( 2.312 0.283 0.827) 2.472 5.753 ( 1.986 2.478 1.733) 3.618 5.848 ( 1.722 2.732 -1.397) 3.519 6.036 ( -2.548 0.694 -3.777) 4.609 ======================= Grid point 135 (69/116) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 1.974 15.027 11.037) 18.749 1.244 ( 1.313 13.775 11.939) 18.276 1.762 ( 0.731 4.783 -5.250) 7.140 1.866 ( 2.481 1.802 1.565) 3.443 1.993 ( 1.113 0.483 -4.248) 4.418 2.028 ( 1.513 -9.301 3.722) 10.132 2.093 ( 2.201 -3.674 -3.206) 5.350 2.162 ( 0.073 -1.516 2.377) 2.820 2.201 ( -4.557 10.863 7.519) 13.975 2.257 ( -0.819 -5.183 -1.060) 5.353 2.425 ( -0.261 1.215 -1.697) 2.103 2.455 ( 0.641 -3.461 -3.394) 4.889 2.473 ( 0.490 -0.642 -1.438) 1.649 2.650 ( 1.963 0.469 2.843) 3.487 2.782 ( -2.440 -0.172 -0.445) 2.486 2.860 ( -1.913 1.728 1.690) 3.083 2.896 ( -2.823 2.477 2.412) 4.463 3.009 ( 3.832 1.731 0.419) 4.225 3.034 ( -0.767 0.263 -3.016) 3.123 3.201 ( -3.426 -1.927 1.004) 4.057 3.446 ( 7.197 1.331 4.879) 8.797 3.501 ( -2.097 -6.639 -1.135) 7.054 3.546 ( -5.704 -1.022 1.265) 5.932 3.939 ( -0.590 -6.052 0.524) 6.104 4.213 ( 0.437 1.313 2.853) 3.171 4.255 ( -1.005 4.509 1.263) 4.789 4.306 ( 2.223 5.904 -2.021) 6.625 4.488 ( -0.002 -0.443 1.769) 1.823 4.511 ( 0.629 -2.668 -1.771) 3.263 4.609 ( -0.894 -0.945 2.135) 2.500 4.648 ( -0.854 1.881 0.003) 2.066 4.821 ( 0.137 -0.401 -3.086) 3.115 4.866 ( 0.106 2.127 0.384) 2.165 4.896 ( 0.272 3.093 -0.551) 3.153 5.005 ( -1.362 -0.163 2.431) 2.791 5.056 ( -0.390 1.213 1.361) 1.864 5.140 ( 0.148 -1.305 -0.097) 1.317 5.166 ( 0.859 -0.601 -0.185) 1.064 5.220 ( -1.354 -0.573 -3.324) 3.634 5.343 ( -1.351 -2.452 0.789) 2.908 5.371 ( 1.085 -2.098 -1.738) 2.933 5.446 ( 0.005 -4.092 -1.050) 4.224 5.609 ( 2.064 -0.945 -1.816) 2.907 5.634 ( 2.991 0.240 -4.630) 5.517 5.778 ( 0.258 1.716 0.676) 1.863 5.831 ( 0.774 1.266 1.408) 2.046 5.892 ( -0.746 2.293 -0.165) 2.417 6.022 ( -0.839 0.957 -5.520) 5.664 ======================= Grid point 136 (70/116) ======================= q-point: ( 0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 1.306 14.810 8.974) 17.366 1.315 ( 4.120 12.628 10.128) 16.703 1.749 ( -0.557 5.565 -7.730) 9.541 1.910 ( 1.772 2.466 -0.009) 3.036 1.981 ( -1.414 -0.052 -1.380) 1.976 2.047 ( -1.149 -3.307 4.157) 5.435 2.139 ( 1.370 -8.591 -3.297) 9.303 2.146 ( 0.229 -0.812 -0.880) 1.220 2.180 ( 0.035 4.958 8.321) 9.686 2.247 ( 0.427 -3.252 0.256) 3.290 2.413 ( -0.786 1.256 -0.355) 1.523 2.444 ( -0.394 -3.406 -4.689) 5.809 2.494 ( 1.473 -0.140 -1.601) 2.180 2.694 ( -2.334 -5.999 -2.439) 6.883 2.729 ( 0.867 4.098 7.837) 8.886 2.791 ( -3.520 1.467 2.075) 4.342 2.895 ( -0.708 -0.748 3.059) 3.227 2.980 ( -2.705 -0.667 -5.251) 5.944 3.088 ( 3.283 -1.531 1.714) 4.008 3.103 ( -5.269 -2.527 0.523) 5.867 3.400 ( -7.382 4.341 5.484) 10.169 3.541 ( 6.946 0.577 -4.237) 8.157 3.599 ( 4.380 0.430 2.784) 5.208 3.939 ( -0.340 -5.879 1.454) 6.066 4.225 ( -0.864 3.082 1.693) 3.621 4.241 ( -0.043 1.921 0.711) 2.049 4.337 ( 1.487 5.070 -1.675) 5.543 4.479 ( 0.317 3.684 1.501) 3.991 4.555 ( 2.241 -5.226 -1.497) 5.880 4.576 ( -1.740 -2.932 2.174) 4.044 4.646 ( 0.350 3.295 0.985) 3.456 4.809 ( -0.489 0.163 -3.723) 3.759 4.852 ( -1.424 2.064 1.158) 2.762 4.896 ( -0.824 1.809 0.195) 1.998 4.966 ( -2.123 0.017 1.591) 2.653 5.058 ( 0.140 1.367 0.096) 1.377 5.149 ( 0.578 -0.756 -0.581) 1.115 5.177 ( -0.279 -1.635 -0.284) 1.683 5.199 ( -0.165 -1.056 -1.404) 1.765 5.324 ( -0.540 0.667 -2.361) 2.512 5.401 ( 1.230 -3.049 0.995) 3.435 5.433 ( -0.098 -6.556 -0.063) 6.557 5.635 ( 1.185 0.639 -2.895) 3.193 5.695 ( 3.901 0.253 -3.619) 5.327 5.768 ( -1.469 1.269 0.331) 1.969 5.835 ( -0.408 -0.637 0.073) 0.760 5.869 ( -1.467 2.277 1.382) 3.042 5.980 ( -2.102 1.042 -5.540) 6.016 ======================= Grid point 137 (71/116) ======================= q-point: ( 0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 2.365 10.989 5.967) 12.726 1.442 ( 6.191 9.383 7.760) 13.660 1.700 ( -2.785 8.445 -6.662) 11.111 1.898 ( -3.505 1.511 -4.561) 5.948 1.946 ( -2.983 -2.963 3.930) 5.755 2.011 ( -1.681 1.977 3.667) 4.492 2.142 ( 0.002 -2.889 -1.170) 3.117 2.148 ( -1.461 -2.507 -0.560) 2.955 2.226 ( 2.490 -8.601 4.605) 10.069 2.277 ( 2.816 -0.304 -0.729) 2.924 2.390 ( -1.111 -1.472 -1.549) 2.408 2.426 ( -0.330 -1.826 -0.567) 1.940 2.517 ( 1.482 -1.041 -3.073) 3.567 2.587 ( -7.390 -5.740 0.067) 9.358 2.711 ( -2.782 -0.133 2.590) 3.803 2.829 ( -1.650 1.677 3.372) 4.112 2.855 ( 2.307 -1.594 3.923) 4.822 2.950 ( 1.343 -1.127 -7.738) 7.934 3.061 ( 1.241 -1.521 1.915) 2.743 3.170 ( 3.685 -1.813 1.266) 4.297 3.299 ( -3.437 8.140 5.632) 10.478 3.630 ( -1.601 4.471 5.232) 7.066 3.686 ( 7.721 3.512 -4.386) 9.549 3.912 ( -3.002 -2.230 -0.187) 3.744 4.198 ( -1.427 3.226 -1.255) 3.744 4.239 ( -0.620 0.288 3.934) 3.992 4.377 ( 2.998 5.631 0.352) 6.389 4.500 ( 0.820 2.962 0.638) 3.139 4.552 ( -0.292 -3.509 2.504) 4.321 4.567 ( -1.388 0.964 -1.660) 2.369 4.693 ( 4.163 -1.707 -1.158) 4.646 4.784 ( -0.910 1.379 -2.647) 3.121 4.833 ( -0.763 1.409 1.000) 1.889 4.855 ( -3.172 -2.037 0.996) 3.899 4.952 ( -0.174 2.074 0.109) 2.084 5.049 ( -0.886 0.674 -0.037) 1.114 5.136 ( -1.291 -3.587 -1.109) 3.970 5.181 ( 0.128 2.357 -0.434) 2.400 5.207 ( 1.491 -2.844 0.776) 3.304 5.294 ( -1.915 0.652 -1.739) 2.667 5.405 ( -0.325 -1.070 1.115) 1.579 5.466 ( 2.370 -6.664 1.026) 7.147 5.628 ( -1.299 1.854 -2.185) 3.147 5.718 ( -3.024 0.332 -0.344) 3.061 5.757 ( 2.601 0.365 -2.344) 3.520 5.822 ( -1.750 -1.363 0.883) 2.387 5.854 ( 0.045 0.863 -0.527) 1.012 5.936 ( -0.464 -0.921 -6.678) 6.757 ======================= Grid point 138 (72/116) ======================= q-point: ( 0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 7.039 4.787 2.894) 8.991 1.537 ( 1.827 4.162 4.843) 6.641 1.632 ( -3.247 9.201 -2.381) 10.044 1.795 ( -6.149 0.685 -0.327) 6.196 1.861 ( -5.075 -2.759 3.967) 7.008 2.035 ( 0.608 -1.837 3.901) 4.354 2.053 ( -4.473 3.048 -1.647) 5.658 2.159 ( 0.443 -0.524 -1.675) 1.810 2.248 ( -1.099 -11.394 2.593) 11.737 2.348 ( 3.347 -0.735 0.050) 3.427 2.380 ( 0.025 -3.926 -2.379) 4.590 2.425 ( -6.125 -2.969 -2.105) 7.125 2.440 ( 1.419 -3.948 2.614) 4.943 2.564 ( 3.373 -4.042 -5.237) 7.426 2.682 ( -1.244 0.971 2.500) 2.956 2.764 ( -2.053 -1.908 -2.683) 3.880 2.953 ( 3.611 1.816 4.317) 5.913 2.983 ( 2.593 1.413 -3.364) 4.476 3.098 ( 1.733 0.266 0.621) 1.860 3.215 ( 2.301 -1.617 0.512) 2.858 3.336 ( 4.503 7.600 5.578) 10.447 3.566 ( -6.122 7.931 6.818) 12.119 3.788 ( 2.255 1.551 0.285) 2.752 3.837 ( -2.348 3.801 -4.944) 6.663 4.183 ( -0.048 4.225 -0.346) 4.239 4.249 ( 0.824 -0.893 4.547) 4.707 4.414 ( -0.988 4.216 1.505) 4.584 4.511 ( 1.376 2.214 -0.027) 2.607 4.539 ( -0.484 4.023 -2.334) 4.676 4.560 ( 0.429 -2.892 2.127) 3.615 4.712 ( -1.514 -0.064 -2.836) 3.216 4.800 ( -0.371 -2.413 -1.305) 2.768 4.808 ( -0.864 -4.347 -1.305) 4.620 4.836 ( 2.275 4.550 0.350) 5.099 4.937 ( -0.668 0.797 0.600) 1.200 5.046 ( 0.252 -0.360 1.990) 2.037 5.121 ( 0.006 -4.220 -0.040) 4.220 5.165 ( -1.448 0.737 -1.351) 2.113 5.225 ( -0.723 -2.065 1.944) 2.927 5.284 ( 1.752 1.547 0.415) 2.374 5.392 ( -1.360 0.411 0.410) 1.478 5.508 ( 1.625 -5.720 0.974) 6.025 5.589 ( -1.813 0.752 -1.670) 2.577 5.665 ( -2.070 0.660 -0.957) 2.374 5.769 ( -3.091 -1.265 0.535) 3.383 5.786 ( 0.648 0.794 -2.258) 2.480 5.845 ( -1.161 0.594 -0.956) 1.617 5.950 ( 3.191 -3.851 -7.270) 8.824 ======================= Grid point 139 (73/116) ======================= q-point: (-0.50 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -3.122 3.825 2.235) 5.420 1.547 ( -3.679 6.688 0.094) 7.633 1.603 ( 1.643 1.613 2.687) 3.539 1.715 ( 0.801 -2.684 4.848) 5.599 1.791 ( -4.112 -1.945 4.018) 6.070 1.936 ( -3.389 -3.126 -0.805) 4.681 2.104 ( 2.356 -0.156 0.844) 2.507 2.148 ( -1.365 -0.888 -1.232) 2.042 2.218 ( -0.540 -4.782 0.971) 4.909 2.323 ( -2.320 -3.628 0.586) 4.347 2.376 ( -0.438 -0.522 -1.095) 1.289 2.416 ( 2.420 -1.823 -3.688) 4.773 2.493 ( 2.904 -3.486 2.384) 5.125 2.621 ( 1.628 -5.662 -5.977) 8.393 2.666 ( 1.836 0.865 1.231) 2.374 2.752 ( 0.251 -0.521 -2.097) 2.175 2.978 ( -0.200 2.075 -2.039) 2.916 3.018 ( 0.321 3.358 1.217) 3.586 3.145 ( 3.028 -0.764 -0.034) 3.123 3.247 ( -0.373 -0.355 1.597) 1.678 3.430 ( 1.094 4.413 5.885) 7.437 3.465 ( -2.737 10.184 5.904) 12.085 3.734 ( -3.529 2.292 -0.006) 4.208 3.879 ( 4.218 4.062 -2.848) 6.512 4.185 ( 0.108 5.659 0.048) 5.661 4.289 ( 2.209 -2.182 4.925) 5.822 4.355 ( -4.460 2.749 1.605) 5.480 4.529 ( 0.338 1.554 -0.557) 1.685 4.538 ( 0.017 2.203 -2.331) 3.207 4.597 ( 2.879 2.370 1.348) 3.965 4.681 ( -0.607 0.441 -2.148) 2.275 4.763 ( -2.856 -0.323 -2.095) 3.557 4.777 ( -1.303 -1.527 -2.500) 3.206 4.855 ( -0.402 -1.887 1.639) 2.531 4.988 ( 4.750 1.093 -0.346) 4.887 5.046 ( -0.812 -1.145 1.975) 2.423 5.133 ( 0.905 -4.100 0.524) 4.232 5.142 ( -0.335 0.618 0.597) 0.922 5.214 ( -0.498 -0.034 0.791) 0.935 5.325 ( 1.272 0.388 2.388) 2.733 5.363 ( -0.983 0.597 0.079) 1.153 5.523 ( -0.308 -5.156 0.029) 5.165 5.569 ( -0.013 -0.475 -1.252) 1.340 5.634 ( -1.118 -1.100 -1.121) 1.928 5.727 ( -0.676 2.043 -1.037) 2.388 5.777 ( -1.484 0.128 -1.275) 1.960 5.818 ( -0.836 0.148 -2.569) 2.706 5.995 ( 2.815 -4.469 -5.817) 7.858 ======================= Grid point 140 (74/116) ======================= q-point: (-0.38 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -9.882 5.705 4.171) 12.149 1.472 ( -6.392 6.671 4.639) 10.338 1.585 ( 0.945 3.537 1.089) 3.820 1.699 ( -2.259 -1.170 7.150) 7.589 1.906 ( 9.218 -6.923 -1.193) 11.590 1.921 ( 1.565 -4.461 0.243) 4.734 2.095 ( -1.287 -6.401 -2.879) 7.136 2.125 ( -0.977 1.489 0.212) 1.793 2.264 ( 3.692 1.623 1.374) 4.260 2.285 ( -2.028 -1.575 1.880) 3.182 2.378 ( 1.175 -1.921 -2.628) 3.461 2.441 ( 0.889 -0.930 -2.036) 2.409 2.532 ( -0.109 -3.636 0.837) 3.733 2.614 ( 1.503 -0.102 -2.131) 2.610 2.724 ( -0.935 -0.622 0.606) 1.276 2.781 ( 6.901 -1.198 -3.724) 7.933 2.954 ( -3.879 0.984 -1.282) 4.202 2.985 ( -1.725 2.124 -0.906) 2.882 3.145 ( -3.766 1.364 3.073) 5.048 3.257 ( 2.251 3.621 2.890) 5.151 3.361 ( -5.476 2.405 2.840) 6.621 3.524 ( 2.830 3.526 2.997) 5.424 3.695 ( -0.820 2.341 1.502) 2.900 3.958 ( 4.343 2.720 -2.220) 5.584 4.188 ( 0.231 6.449 0.828) 6.506 4.280 ( -3.577 3.332 3.080) 5.778 4.347 ( 2.489 -1.847 3.921) 4.998 4.484 ( -4.130 -2.458 -2.202) 5.287 4.563 ( 1.835 1.862 -0.654) 2.695 4.620 ( -0.484 3.455 -0.810) 3.581 4.674 ( -0.991 1.987 -1.695) 2.793 4.730 ( 0.837 0.017 -2.372) 2.515 4.766 ( 1.141 -1.491 -1.380) 2.330 4.861 ( 0.779 -1.446 4.555) 4.842 5.004 ( -1.435 2.780 -2.142) 3.791 5.090 ( 3.022 -1.970 -1.469) 3.895 5.143 ( -0.301 1.214 0.570) 1.374 5.154 ( 1.759 -2.447 2.771) 4.094 5.211 ( 0.135 0.281 -0.012) 0.312 5.323 ( -0.491 -0.318 0.870) 1.048 5.389 ( 2.114 -0.041 2.369) 3.175 5.490 ( -3.141 -6.481 0.468) 7.217 5.575 ( 0.647 0.030 -1.810) 1.923 5.628 ( 0.927 -1.285 -1.655) 2.291 5.725 ( -1.220 1.365 -2.119) 2.800 5.742 ( 0.089 1.858 -0.309) 1.885 5.813 ( 1.130 0.296 -3.083) 3.297 6.024 ( 1.521 -4.172 -4.570) 6.372 ======================= Grid point 141 (75/116) ======================= q-point: (-0.25 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -6.708 10.312 8.385) 14.888 1.340 ( -8.281 8.749 10.357) 15.887 1.663 ( 5.859 3.272 -3.181) 7.426 1.718 ( 2.920 0.959 3.303) 4.512 1.933 ( 0.560 -7.796 1.332) 7.929 2.006 ( 1.184 -3.375 -4.460) 5.717 2.090 ( -0.020 -3.706 -2.033) 4.227 2.123 ( 1.356 -0.205 2.765) 3.086 2.265 ( -0.390 -1.988 0.539) 2.096 2.325 ( 1.492 4.168 2.589) 5.128 2.403 ( 1.814 -3.929 -2.579) 5.038 2.432 ( -1.281 0.230 -1.410) 1.919 2.514 ( -0.818 -3.248 -1.385) 3.625 2.653 ( 1.033 -0.999 -0.453) 1.506 2.720 ( 1.746 2.716 -1.464) 3.545 2.829 ( -4.202 2.522 4.091) 6.384 2.944 ( 7.057 1.238 2.557) 7.607 2.975 ( 0.040 0.080 -0.942) 0.946 3.087 ( -1.639 2.362 -0.475) 2.914 3.225 ( -7.654 1.546 0.213) 7.811 3.308 ( 0.917 -2.654 -0.456) 2.844 3.567 ( 1.046 1.478 2.308) 2.934 3.690 ( -1.107 0.904 3.536) 3.814 4.001 ( 0.225 0.148 -2.087) 2.105 4.203 ( 1.302 6.531 1.627) 6.855 4.244 ( -1.454 2.453 4.032) 4.938 4.357 ( -3.787 1.351 0.332) 4.034 4.425 ( 0.806 -4.220 0.304) 4.307 4.576 ( -0.544 0.369 -1.144) 1.319 4.590 ( -1.420 0.556 -0.890) 1.766 4.672 ( 0.861 2.509 -1.017) 2.841 4.751 ( 2.123 -0.303 -1.941) 2.893 4.800 ( 2.188 -0.265 -0.108) 2.207 4.910 ( 2.312 1.457 5.283) 5.948 4.972 ( -1.145 4.660 -2.543) 5.431 5.087 ( -1.548 -1.480 -0.547) 2.211 5.140 ( 0.370 -0.477 -2.058) 2.145 5.199 ( -0.289 -0.223 3.451) 3.470 5.239 ( 3.570 -0.132 -2.632) 4.437 5.327 ( 0.774 -0.636 -0.321) 1.052 5.420 ( -0.024 -0.438 2.459) 2.498 5.427 ( -2.741 -7.134 0.726) 7.676 5.567 ( -0.550 -0.114 -3.376) 3.422 5.643 ( -0.165 -1.518 -0.807) 1.727 5.709 ( 1.427 1.657 -1.107) 2.451 5.766 ( 1.957 1.995 -0.643) 2.868 5.846 ( 2.755 1.502 -2.494) 4.009 6.034 ( 0.689 -3.031 -3.967) 5.040 ======================= Grid point 142 (76/116) ======================= q-point: (-0.12 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.023 14.161 11.485) 18.233 1.240 ( -4.375 12.078 12.061) 17.620 1.736 ( 2.689 4.310 -0.566) 5.112 1.808 ( 4.611 0.758 -2.328) 5.221 1.951 ( 2.247 -7.163 -2.087) 7.792 2.011 ( 0.494 -3.706 -0.510) 3.773 2.081 ( -0.074 -1.506 -1.400) 2.057 2.150 ( 0.617 -0.724 2.575) 2.745 2.259 ( -0.824 -0.521 0.946) 1.359 2.295 ( -4.691 4.479 4.636) 7.973 2.424 ( 1.226 0.165 -3.273) 3.499 2.433 ( 1.394 -2.834 -1.537) 3.512 2.491 ( -1.251 -2.914 -2.203) 3.862 2.637 ( -1.328 1.723 3.543) 4.158 2.768 ( 3.234 1.459 -2.942) 4.609 2.845 ( 3.222 1.784 1.348) 3.922 2.947 ( -2.339 3.265 3.712) 5.469 2.996 ( -2.213 3.391 2.470) 4.743 3.080 ( -5.257 0.533 -1.108) 5.399 3.180 ( 7.623 -2.280 -1.752) 8.147 3.318 ( 1.814 -3.692 -0.579) 4.154 3.564 ( -2.214 -3.503 1.218) 4.319 3.646 ( -4.696 0.110 4.024) 6.185 3.970 ( -2.329 -3.133 -0.898) 4.006 4.217 ( -1.316 1.533 1.853) 2.741 4.244 ( 1.497 3.994 3.466) 5.496 4.297 ( -1.456 4.969 -0.773) 5.235 4.458 ( 1.839 -3.914 0.148) 4.327 4.541 ( -1.875 1.527 -1.470) 2.830 4.595 ( 1.024 0.034 1.248) 1.615 4.672 ( -0.875 0.840 -0.558) 1.335 4.796 ( 2.701 -1.077 -1.450) 3.249 4.846 ( 2.368 0.900 -0.628) 2.610 4.910 ( -1.883 4.008 -0.286) 4.438 4.987 ( 1.898 3.055 2.772) 4.541 5.065 ( -0.823 -0.273 1.287) 1.552 5.143 ( 0.267 -1.460 -2.253) 2.698 5.177 ( -1.928 -0.977 1.388) 2.569 5.257 ( -1.114 0.076 -3.586) 3.756 5.343 ( 0.640 -2.964 0.424) 3.062 5.390 ( -1.614 -1.044 -0.559) 2.001 5.428 ( 1.269 -3.843 0.010) 4.047 5.568 ( 1.809 -0.362 -2.961) 3.489 5.625 ( -0.558 -1.693 -2.225) 2.851 5.753 ( 2.247 1.945 0.491) 3.012 5.803 ( 1.806 2.198 0.487) 2.886 5.887 ( 1.639 1.989 -1.643) 3.056 6.035 ( 0.435 -0.928 -4.634) 4.746 ======================= Grid point 143 (77/116) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( 2.780 15.665 4.962) 16.665 1.517 ( 2.018 14.027 8.459) 16.504 1.752 ( 2.411 -11.465 0.932) 11.753 1.796 ( 2.367 -12.890 5.526) 14.223 1.873 ( 2.156 5.039 -3.055) 6.275 1.961 ( 1.121 -3.552 -3.122) 4.860 2.055 ( -0.148 1.748 -2.640) 3.170 2.129 ( -0.660 -5.083 -3.555) 6.238 2.228 ( 0.001 4.814 -3.197) 5.779 2.331 ( 0.330 -3.840 -3.958) 5.525 2.417 ( -0.921 2.440 -2.446) 3.575 2.454 ( 0.750 -1.161 -2.343) 2.721 2.492 ( 0.142 5.837 -0.650) 5.875 2.602 ( -0.398 -5.006 -1.191) 5.161 2.876 ( 1.719 4.580 4.632) 6.737 2.916 ( -4.396 4.070 1.325) 6.136 2.957 ( -2.159 3.931 4.370) 6.262 2.991 ( -2.050 0.728 0.128) 2.179 3.067 ( -5.851 0.922 -1.137) 6.031 3.151 ( -6.553 -4.053 3.934) 8.652 3.380 ( 5.145 -4.312 2.045) 7.018 3.388 ( 10.970 -3.978 -0.335) 11.674 3.626 ( -4.947 6.247 8.430) 11.601 3.772 ( -3.085 -9.291 6.802) 11.921 4.266 ( 0.410 3.680 2.611) 4.531 4.313 ( -0.053 0.020 0.187) 0.196 4.409 ( 1.259 3.192 0.082) 3.432 4.447 ( 1.505 -1.600 0.398) 2.232 4.522 ( -2.031 2.978 -0.209) 3.611 4.593 ( -2.160 -2.785 -0.317) 3.538 4.681 ( 1.902 3.909 -2.622) 5.076 4.773 ( 1.505 -4.331 -2.747) 5.345 4.926 ( -1.262 3.168 3.836) 5.132 4.951 ( -0.964 1.968 2.278) 3.161 4.991 ( -0.134 -0.769 0.662) 1.023 5.016 ( -1.387 -3.174 -0.010) 3.464 5.140 ( 0.369 0.136 1.502) 1.553 5.147 ( -0.311 -0.915 1.932) 2.160 5.239 ( -1.014 1.605 -2.611) 3.228 5.275 ( -0.033 -2.586 -1.581) 3.031 5.365 ( -0.652 0.404 -2.408) 2.527 5.390 ( -0.121 -2.053 -3.518) 4.074 5.604 ( 2.859 0.513 -3.895) 4.859 5.623 ( 3.578 -1.147 -4.709) 6.024 5.812 ( -0.045 1.668 0.387) 1.713 5.835 ( -0.103 -0.636 0.305) 0.713 5.955 ( -0.224 3.646 -1.529) 3.960 6.011 ( -0.174 -1.972 -4.249) 4.688 ======================= Grid point 144 (78/116) ======================= q-point: ( 0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 0.591 14.959 4.576) 15.655 1.573 ( 2.464 13.416 6.179) 14.975 1.782 ( 0.503 -7.542 -0.708) 7.592 1.830 ( 0.277 -9.937 0.596) 9.958 1.926 ( 3.528 -0.883 3.221) 4.858 1.968 ( 0.090 -2.414 -2.098) 3.200 2.060 ( 1.471 0.707 -2.629) 3.094 2.115 ( 0.219 -4.489 -3.265) 5.555 2.205 ( -1.734 6.149 -4.112) 7.598 2.319 ( -0.813 -1.994 -2.044) 2.969 2.385 ( -1.881 1.629 -3.840) 4.575 2.449 ( -1.255 -1.156 -0.797) 1.884 2.491 ( 0.144 2.515 -2.137) 3.303 2.576 ( -2.709 -5.553 -1.786) 6.431 2.828 ( -5.241 4.821 4.054) 8.194 2.855 ( -2.680 4.487 0.728) 5.277 2.904 ( -5.037 -1.082 1.660) 5.413 2.940 ( -4.725 -3.133 -2.897) 6.367 3.011 ( 0.769 -0.328 6.406) 6.460 3.077 ( 1.324 -3.013 3.171) 4.570 3.497 ( 0.771 6.360 2.586) 6.908 3.566 ( 10.244 0.474 -0.235) 10.257 3.630 ( 3.933 2.493 7.702) 9.000 3.755 ( -0.494 -10.887 7.533) 13.249 4.278 ( 0.166 3.277 2.184) 3.942 4.302 ( -1.465 1.832 -0.689) 2.445 4.425 ( 0.724 1.145 -0.694) 1.522 4.455 ( 0.146 -3.651 0.611) 3.705 4.506 ( -0.215 3.275 1.151) 3.478 4.581 ( 1.186 -1.556 -0.029) 1.956 4.701 ( 0.749 4.436 -2.815) 5.307 4.777 ( -0.395 -2.795 -3.014) 4.129 4.892 ( -3.375 0.726 4.823) 5.931 4.924 ( -1.808 0.484 3.047) 3.576 4.990 ( -0.692 1.262 -0.467) 1.513 5.013 ( 1.091 -1.963 -1.373) 2.632 5.127 ( -1.585 -0.306 -0.109) 1.618 5.157 ( 0.835 -1.524 2.396) 2.960 5.231 ( 0.252 2.327 -2.264) 3.257 5.280 ( 0.256 -3.534 -2.155) 4.147 5.360 ( 0.959 -0.227 -1.811) 2.061 5.371 ( -0.375 -1.507 -1.387) 2.083 5.651 ( 2.662 1.317 -3.847) 4.860 5.681 ( 3.314 -1.532 -4.284) 5.629 5.795 ( -1.741 1.441 0.146) 2.265 5.819 ( -1.433 -1.027 -0.128) 1.768 5.926 ( -2.281 3.181 -1.096) 4.065 5.974 ( -2.568 -1.583 -3.964) 4.981 ======================= Grid point 145 (79/116) ======================= q-point: ( 0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -2.562 12.697 4.065) 13.576 1.627 ( 0.552 6.825 2.865) 7.423 1.766 ( -1.252 -4.761 0.580) 4.957 1.817 ( -1.089 -3.553 -3.725) 5.262 1.957 ( -0.999 0.957 -0.150) 1.391 2.003 ( 2.953 -4.979 5.668) 8.102 2.087 ( -1.809 2.058 0.419) 2.772 2.114 ( 1.303 -1.605 -1.673) 2.660 2.164 ( 0.039 3.880 -6.794) 7.824 2.300 ( -0.785 -3.793 -0.093) 3.875 2.319 ( -3.666 0.038 -3.345) 4.963 2.400 ( -4.000 -3.039 0.236) 5.029 2.489 ( -0.381 -1.900 -3.033) 3.599 2.495 ( -3.253 -1.508 -2.165) 4.188 2.738 ( -3.375 2.458 1.221) 4.350 2.787 ( -4.389 -2.485 -0.238) 5.049 2.886 ( 3.536 0.889 -0.071) 3.647 2.917 ( 2.545 -2.250 -3.280) 4.722 3.067 ( 2.546 2.806 5.691) 6.836 3.126 ( 2.244 -2.719 3.038) 4.654 3.501 ( -0.405 12.147 7.653) 14.362 3.678 ( -1.149 -2.056 7.802) 8.149 3.745 ( 7.066 2.115 0.849) 7.424 3.798 ( 3.887 -6.641 2.443) 8.074 4.259 ( -2.355 2.879 -0.449) 3.746 4.274 ( -0.993 1.850 0.930) 2.296 4.444 ( 1.497 -1.085 2.476) 3.090 4.484 ( 2.084 -4.433 0.580) 4.932 4.512 ( 0.692 6.169 0.205) 6.212 4.615 ( 1.727 -2.130 -0.536) 2.794 4.693 ( -0.611 2.979 -3.118) 4.356 4.750 ( -1.371 -2.862 -3.525) 4.743 4.836 ( -3.133 2.745 3.253) 5.286 4.910 ( -0.573 1.199 3.725) 3.955 4.988 ( 0.572 -1.823 0.920) 2.121 5.011 ( -0.855 -0.816 -1.869) 2.211 5.088 ( -2.583 1.472 -0.854) 3.093 5.170 ( -0.715 -3.479 0.598) 3.601 5.227 ( 0.083 2.413 -1.413) 2.798 5.271 ( 0.489 -2.321 -1.609) 2.866 5.386 ( 1.507 -0.869 1.083) 2.049 5.391 ( 1.873 -0.932 -0.359) 2.123 5.665 ( -0.942 2.109 -2.411) 3.339 5.706 ( -1.053 -1.821 -1.898) 2.834 5.766 ( 0.009 1.160 -1.873) 2.203 5.795 ( -0.403 -1.624 -1.534) 2.270 5.880 ( -1.918 1.851 -1.689) 3.155 5.913 ( -2.471 -1.503 -4.079) 5.000 ======================= Grid point 146 (80/116) ======================= q-point: ( 0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 0.405 6.950 3.441) 7.766 1.587 ( -3.802 -2.087 2.226) 4.875 1.764 ( -0.094 0.686 0.134) 0.705 1.770 ( -3.041 2.732 -3.461) 5.356 1.901 ( -5.481 5.168 0.011) 7.533 1.982 ( -7.470 -2.201 3.897) 8.708 2.040 ( -0.646 -5.043 2.700) 5.756 2.111 ( -2.771 -4.207 -0.268) 5.045 2.189 ( 4.324 4.429 -4.219) 7.491 2.292 ( -0.501 -0.491 -0.893) 1.135 2.303 ( 3.185 -6.288 -4.668) 8.454 2.333 ( -1.298 -2.497 1.553) 3.214 2.456 ( 0.080 1.775 -2.130) 2.773 2.498 ( 1.370 -2.766 -4.373) 5.353 2.711 ( -0.501 1.758 0.511) 1.898 2.739 ( -0.725 -1.172 -1.356) 1.933 2.964 ( 4.415 0.626 -1.555) 4.723 2.989 ( 4.816 -1.417 0.302) 5.029 3.115 ( 1.281 2.461 2.666) 3.848 3.170 ( 1.782 -2.873 2.228) 4.049 3.515 ( -0.256 9.483 8.329) 12.624 3.642 ( -3.975 -2.082 9.045) 10.097 3.821 ( 1.304 3.472 1.152) 3.884 3.877 ( 3.433 -0.731 -2.799) 4.490 4.236 ( 0.111 1.838 2.154) 2.834 4.259 ( -0.468 0.781 1.722) 1.948 4.459 ( -1.695 0.851 1.993) 2.752 4.502 ( 0.075 -2.761 1.019) 2.944 4.558 ( 4.136 3.998 -0.617) 5.785 4.614 ( -1.005 1.019 -2.347) 2.749 4.699 ( 2.010 -2.585 -1.302) 3.524 4.725 ( -0.456 -3.136 -2.732) 4.184 4.787 ( -2.790 5.029 1.739) 6.008 4.910 ( -1.634 -4.426 1.563) 4.970 4.961 ( -1.539 4.734 0.798) 5.041 5.037 ( 1.269 -3.350 1.960) 4.084 5.043 ( -0.286 2.227 0.175) 2.252 5.133 ( -1.649 -4.285 -1.401) 4.800 5.240 ( 0.863 3.190 0.673) 3.373 5.295 ( 1.571 -1.446 0.429) 2.178 5.398 ( -0.555 0.368 0.527) 0.849 5.421 ( 1.118 -2.543 -0.118) 2.780 5.615 ( -2.872 1.784 -1.678) 3.774 5.653 ( -3.205 -1.909 -1.156) 3.905 5.772 ( 0.615 1.783 -1.747) 2.571 5.799 ( 0.352 -0.149 -2.017) 2.053 5.850 ( -1.192 0.334 -2.578) 2.860 5.880 ( 0.659 -3.042 -5.581) 6.390 ======================= Grid point 147 (81/116) ======================= q-point: (-0.50 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -2.366 2.611 3.990) 5.324 1.553 ( 0.144 -3.643 3.034) 4.743 1.702 ( -2.551 5.977 -0.611) 6.527 1.738 ( -2.435 3.019 0.445) 3.904 1.797 ( -4.414 2.420 0.696) 5.082 1.855 ( -4.866 -4.499 2.456) 7.067 2.016 ( -1.292 -3.387 -0.769) 3.706 2.082 ( -0.229 -6.430 -1.131) 6.533 2.266 ( 4.226 5.317 -3.865) 7.815 2.285 ( 0.025 1.504 0.605) 1.621 2.340 ( 0.701 -3.146 -0.294) 3.237 2.370 ( 4.181 -4.699 -3.920) 7.411 2.470 ( 1.338 1.816 -0.736) 2.372 2.523 ( 2.331 -3.612 -4.282) 6.068 2.706 ( 0.349 2.313 -0.236) 2.351 2.741 ( 0.732 -1.098 -1.513) 2.008 3.024 ( 1.401 2.591 -0.456) 2.981 3.062 ( 1.159 -0.185 1.607) 1.990 3.129 ( 0.649 1.313 0.300) 1.495 3.193 ( 0.430 -3.999 0.513) 4.054 3.525 ( -0.929 5.076 8.307) 9.779 3.589 ( -3.288 0.017 8.719) 9.318 3.812 ( -1.761 7.080 0.203) 7.298 3.917 ( 1.929 -1.828 -2.148) 3.417 4.262 ( 1.446 1.067 3.501) 3.935 4.272 ( 1.019 1.452 3.314) 3.759 4.411 ( -3.112 3.277 0.735) 4.579 4.484 ( -1.856 -4.058 -0.599) 4.503 4.597 ( -0.029 3.220 -2.301) 3.957 4.649 ( 4.816 1.466 -0.491) 5.058 4.710 ( -0.466 -3.273 -2.123) 3.929 4.731 ( 0.811 -1.152 -2.747) 3.087 4.748 ( -1.247 4.276 1.995) 4.880 4.840 ( -3.887 -2.245 0.074) 4.489 4.983 ( 2.199 0.037 4.069) 4.626 5.010 ( -1.258 -2.740 1.106) 3.211 5.101 ( 2.849 1.308 1.425) 3.444 5.139 ( 1.939 -1.649 0.749) 2.653 5.247 ( -0.364 3.579 0.196) 3.603 5.314 ( -0.120 -2.343 0.832) 2.490 5.379 ( -0.840 1.339 0.140) 1.587 5.425 ( -0.853 -3.973 -0.212) 4.070 5.578 ( -0.337 0.975 -2.241) 2.467 5.604 ( -1.195 -1.665 -1.752) 2.696 5.776 ( -0.303 1.787 -1.934) 2.650 5.784 ( -1.292 0.498 -1.800) 2.271 5.827 ( 0.274 1.993 -3.730) 4.238 5.903 ( 2.365 -4.929 -4.550) 7.113 ======================= Grid point 148 (82/116) ======================= q-point: (-0.38 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( -5.205 6.617 5.138) 9.862 1.537 ( -2.000 -3.440 3.062) 5.021 1.659 ( -3.501 5.315 5.493) 8.407 1.717 ( 0.459 3.200 1.248) 3.465 1.807 ( -1.564 -5.526 2.697) 6.345 1.815 ( 5.591 -3.865 -3.853) 7.813 2.008 ( 1.281 0.343 -2.201) 2.569 2.099 ( 2.424 -5.826 -1.850) 6.576 2.268 ( -1.125 3.848 -2.205) 4.576 2.332 ( 1.670 1.865 -1.178) 2.767 2.350 ( 1.692 -1.227 -2.150) 2.998 2.427 ( 2.431 -4.618 -3.524) 6.298 2.488 ( 0.447 2.746 0.601) 2.846 2.561 ( 2.385 -4.051 -2.445) 5.299 2.733 ( 2.257 1.786 -1.356) 3.182 2.767 ( 3.949 -1.181 -2.977) 5.084 2.989 ( -4.597 2.540 -0.896) 5.328 3.021 ( -4.193 0.339 0.148) 4.210 3.146 ( 0.394 1.268 0.886) 1.596 3.214 ( 1.252 -4.765 1.300) 5.095 3.493 ( -5.051 6.604 8.895) 12.176 3.566 ( -1.490 -0.760 6.794) 6.996 3.784 ( -1.327 8.119 3.569) 8.967 3.941 ( 0.408 -5.658 0.557) 5.700 4.286 ( 0.842 2.994 2.098) 3.752 4.312 ( 1.541 -0.191 5.452) 5.669 4.355 ( -2.769 3.479 -0.454) 4.469 4.431 ( -3.473 -3.572 -1.579) 5.226 4.593 ( 0.257 3.807 -2.204) 4.406 4.683 ( -1.116 -0.118 -2.536) 2.774 4.698 ( -0.669 -1.404 -3.718) 4.030 4.718 ( -1.378 -0.406 -1.977) 2.444 4.770 ( 3.658 3.255 1.593) 5.149 4.828 ( 2.599 -2.077 2.911) 4.421 5.009 ( 1.372 0.324 1.309) 1.924 5.056 ( 3.719 -3.546 3.854) 6.424 5.130 ( -0.321 2.302 -0.052) 2.325 5.171 ( 0.518 -0.769 1.076) 1.420 5.237 ( -0.172 3.063 -1.030) 3.236 5.302 ( -0.570 -2.626 -0.309) 2.705 5.381 ( 0.504 -0.521 1.613) 1.768 5.391 ( -2.262 -2.684 0.423) 3.536 5.585 ( 1.059 0.906 -2.704) 3.042 5.605 ( 1.368 -1.153 -2.108) 2.765 5.744 ( -1.444 1.027 -2.699) 3.228 5.762 ( -0.390 -0.495 -2.896) 2.964 5.850 ( 2.386 3.872 -2.536) 5.207 5.936 ( 2.074 -4.849 -3.357) 6.252 ======================= Grid point 149 (83/116) ======================= q-point: (-0.25 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -1.313 11.822 6.369) 13.492 1.509 ( -2.245 4.832 4.607) 7.044 1.635 ( 0.473 -4.119 5.152) 6.613 1.736 ( -0.015 -3.034 4.680) 5.578 1.802 ( 1.611 -0.636 -1.867) 2.547 1.901 ( 3.687 -6.517 -4.210) 8.590 2.049 ( 2.602 2.915 -2.741) 4.772 2.150 ( 2.565 -5.838 -1.737) 6.609 2.232 ( -1.711 5.850 -1.643) 6.312 2.332 ( -0.149 -3.604 -2.130) 4.189 2.393 ( 2.555 1.295 -3.359) 4.415 2.440 ( 0.347 -3.960 -3.808) 5.505 2.496 ( 0.111 5.658 1.728) 5.917 2.595 ( 1.373 -4.500 -0.431) 4.725 2.792 ( 5.125 4.726 -3.007) 7.593 2.883 ( -0.069 -1.613 -1.306) 2.077 2.902 ( 5.440 0.268 -2.055) 5.822 2.960 ( -1.545 -2.207 -0.527) 2.745 3.138 ( -1.782 3.455 1.862) 4.311 3.218 ( -1.655 -4.235 2.617) 5.246 3.383 ( -8.084 9.961 7.249) 14.735 3.533 ( -4.188 -4.886 6.054) 8.835 3.768 ( -2.272 6.489 6.369) 9.373 3.918 ( -3.534 -8.068 3.995) 9.672 4.290 ( -2.855 3.158 1.953) 4.684 4.313 ( 1.218 4.218 -0.223) 4.396 4.357 ( 0.848 -2.841 1.965) 3.557 4.374 ( -0.983 -0.957 1.229) 1.841 4.604 ( 1.438 4.210 -2.080) 4.911 4.633 ( -2.589 2.284 -2.802) 4.446 4.675 ( -1.243 -1.301 -3.119) 3.601 4.709 ( 1.067 -4.410 -1.985) 4.952 4.844 ( 3.700 3.872 1.422) 5.541 4.906 ( 3.870 -2.165 2.744) 5.215 5.041 ( 0.283 3.308 -0.022) 3.320 5.089 ( -1.512 1.231 2.639) 3.281 5.115 ( -0.130 -1.477 -0.624) 1.609 5.169 ( -0.929 -3.377 3.799) 5.167 5.251 ( 2.560 1.562 -4.001) 5.000 5.293 ( -0.388 -2.883 -1.486) 3.267 5.359 ( -0.596 0.684 -0.597) 1.086 5.394 ( 0.029 -2.135 1.351) 2.527 5.581 ( -0.752 1.380 -3.070) 3.449 5.612 ( -0.650 -1.685 -1.930) 2.643 5.745 ( 2.397 1.957 -2.151) 3.769 5.775 ( 2.467 -0.898 -2.531) 3.647 5.895 ( 2.852 3.525 -2.002) 4.957 5.967 ( 2.066 -3.843 -2.916) 5.248 ======================= Grid point 150 (84/116) ======================= q-point: (-0.12 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 2.624 14.939 6.250) 16.405 1.485 ( -1.032 12.283 7.645) 14.504 1.690 ( 3.722 -11.513 1.510) 12.193 1.748 ( 0.484 -10.544 7.473) 12.932 1.841 ( 2.569 4.880 -4.436) 7.078 1.942 ( 1.867 -4.775 -3.579) 6.252 2.066 ( 0.081 2.694 -3.033) 4.058 2.153 ( -0.997 -5.104 -2.942) 5.975 2.226 ( 0.763 4.690 -1.627) 5.022 2.329 ( 0.600 -5.163 -3.592) 6.318 2.422 ( 1.207 1.325 -3.059) 3.546 2.443 ( 0.898 -1.345 -3.330) 3.702 2.494 ( -0.485 6.718 1.088) 6.823 2.608 ( 0.052 -4.565 0.033) 4.566 2.840 ( 0.315 4.321 2.510) 5.007 2.897 ( 3.598 0.005 -1.403) 3.862 2.967 ( 3.032 3.704 -1.806) 5.116 3.061 ( -0.736 -1.424 -3.951) 4.264 3.125 ( 5.911 0.917 3.526) 6.943 3.160 ( -4.129 3.357 6.561) 8.448 3.264 ( -3.560 2.032 2.168) 4.637 3.432 ( -7.478 -9.466 5.504) 13.260 3.712 ( -5.185 5.158 7.065) 10.169 3.840 ( -5.310 -8.205 5.774) 11.352 4.260 ( -0.645 3.636 1.788) 4.102 4.315 ( -0.236 -0.388 -0.898) 1.006 4.377 ( 1.612 2.813 2.499) 4.094 4.407 ( 2.154 -0.676 1.885) 2.941 4.573 ( -2.752 2.889 -1.921) 4.428 4.637 ( -1.464 -3.279 -1.649) 3.952 4.644 ( 1.938 4.180 -2.488) 5.236 4.739 ( 2.381 -4.879 -2.594) 6.017 4.907 ( 2.371 4.180 1.463) 5.023 4.961 ( 0.584 -0.079 3.916) 3.960 5.001 ( -2.027 1.444 -1.371) 2.842 5.060 ( -2.826 -2.629 1.430) 4.116 5.121 ( 0.978 0.753 0.981) 1.577 5.154 ( -1.265 -1.706 4.078) 4.598 5.270 ( -0.850 0.864 -2.850) 3.097 5.285 ( 0.045 -1.529 -2.637) 3.049 5.373 ( 2.112 -0.400 -3.544) 4.145 5.386 ( -0.708 -1.511 -0.615) 1.778 5.571 ( 1.150 0.752 -3.650) 3.900 5.594 ( 0.173 -1.544 -3.204) 3.561 5.793 ( 2.158 1.959 -0.456) 2.950 5.819 ( 1.942 -0.540 -0.744) 2.148 5.940 ( 2.095 3.377 -1.866) 4.390 6.000 ( 1.998 -2.692 -3.676) 4.975 ======================= Grid point 175 (85/116) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 0.915 0.000 16.946) 16.970 1.315 ( -1.488 0.000 16.925) 16.990 1.494 ( -0.994 0.000 -13.451) 13.487 1.614 ( 0.938 0.000 -11.964) 12.001 2.093 ( 0.481 0.000 4.257) 4.284 2.121 ( -5.582 0.000 11.185) 12.501 2.169 ( -0.668 0.000 5.193) 5.236 2.305 ( 5.318 0.000 -5.826) 7.888 2.326 ( 0.545 0.000 8.443) 8.460 2.354 ( 3.719 0.000 0.324) 3.733 2.384 ( -2.388 0.000 -2.023) 3.130 2.536 ( -2.553 0.000 5.045) 5.654 2.564 ( -0.677 0.000 -5.858) 5.897 2.623 ( 2.247 0.000 -2.561) 3.407 2.644 ( 3.242 0.000 0.991) 3.390 2.712 ( -0.353 0.000 -6.850) 6.859 2.937 ( -2.246 0.000 1.221) 2.556 2.968 ( 2.112 0.000 -2.105) 2.982 3.121 ( 3.067 0.000 3.149) 4.396 3.181 ( -3.835 0.000 -2.081) 4.363 3.509 ( -8.151 0.000 5.682) 9.936 3.544 ( 7.274 0.000 -3.925) 8.265 3.565 ( -2.441 0.000 3.780) 4.500 3.815 ( 0.939 0.000 -12.168) 12.204 4.188 ( 1.080 0.000 2.229) 2.477 4.199 ( -2.150 0.000 0.421) 2.191 4.320 ( 1.926 0.000 3.020) 3.582 4.417 ( -0.872 0.000 -4.782) 4.861 4.522 ( 2.789 0.000 2.986) 4.086 4.571 ( -3.700 0.000 0.108) 3.702 4.673 ( 0.479 0.000 -0.067) 0.484 4.733 ( 1.711 0.000 -4.343) 4.668 4.811 ( 0.847 0.000 3.649) 3.746 4.862 ( -0.527 0.000 -1.384) 1.481 4.975 ( 0.268 0.000 3.649) 3.659 5.048 ( -2.675 0.000 -3.092) 4.088 5.157 ( 0.558 0.000 2.795) 2.851 5.212 ( 1.301 0.000 -2.123) 2.490 5.223 ( 1.706 0.000 0.951) 1.953 5.262 ( -2.596 0.000 -3.506) 4.362 5.481 ( 0.956 0.000 3.152) 3.294 5.545 ( -0.080 0.000 -2.938) 2.939 5.659 ( 1.645 0.000 1.222) 2.049 5.689 ( -1.217 0.000 -1.778) 2.155 5.746 ( 1.821 0.000 1.960) 2.675 5.782 ( -0.798 0.000 -1.490) 1.690 5.885 ( 2.995 0.000 2.327) 3.793 5.918 ( -3.821 0.000 -0.930) 3.932 ======================= Grid point 176 (86/116) ======================= q-point: ( 0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -2.858 0.000 15.034) 15.304 1.330 ( -1.244 0.000 1.287) 1.790 1.448 ( 0.646 0.000 1.175) 1.341 1.636 ( 3.734 0.000 -11.727) 12.307 2.060 ( -3.402 0.000 7.536) 8.268 2.115 ( 0.743 0.000 4.410) 4.473 2.189 ( 1.790 0.000 1.822) 2.554 2.311 ( -1.057 0.000 -1.121) 1.541 2.333 ( 0.700 0.000 -4.484) 4.538 2.407 ( 2.671 0.000 8.589) 8.994 2.420 ( -0.226 0.000 -0.863) 0.892 2.507 ( -1.956 0.000 4.727) 5.116 2.543 ( 0.571 0.000 -3.608) 3.653 2.674 ( 3.405 0.000 -3.682) 5.015 2.725 ( 3.050 0.000 -6.825) 7.475 2.740 ( 6.227 0.000 0.962) 6.301 2.903 ( -1.571 0.000 1.035) 1.882 3.024 ( 3.781 0.000 -1.913) 4.237 3.088 ( -4.766 0.000 -0.017) 4.766 3.175 ( 1.394 0.000 3.356) 3.635 3.343 ( -7.049 0.000 -3.898) 8.055 3.503 ( -6.908 0.000 10.808) 12.827 3.593 ( -1.582 0.000 -1.719) 2.336 3.780 ( -1.148 0.000 -10.469) 10.532 4.196 ( 1.830 0.000 0.180) 1.839 4.211 ( 0.116 0.000 4.208) 4.210 4.373 ( 3.439 0.000 0.210) 3.445 4.380 ( -1.880 0.000 -3.446) 3.925 4.473 ( -6.420 0.000 2.780) 6.996 4.589 ( 3.310 0.000 0.146) 3.314 4.723 ( 4.574 0.000 -2.675) 5.299 4.739 ( 0.095 0.000 -3.507) 3.508 4.811 ( -1.805 0.000 3.125) 3.609 4.837 ( -1.776 0.000 -2.331) 2.930 4.981 ( -0.462 0.000 5.755) 5.774 5.015 ( 0.098 0.000 -1.673) 1.676 5.167 ( -0.088 0.000 2.767) 2.769 5.198 ( -2.360 0.000 -4.105) 4.735 5.245 ( 1.491 0.000 -1.511) 2.122 5.279 ( 2.964 0.000 1.278) 3.228 5.496 ( -0.438 0.000 2.716) 2.751 5.529 ( -0.709 0.000 -3.720) 3.787 5.669 ( -0.108 0.000 -1.555) 1.559 5.693 ( 1.593 0.000 0.557) 1.688 5.767 ( 0.265 0.000 -4.057) 4.066 5.779 ( 1.042 0.000 1.572) 1.886 5.838 ( -4.197 0.000 -0.482) 4.224 5.929 ( 1.016 0.000 2.837) 3.014 ======================= Grid point 177 (87/116) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 2.442 0.000 8.562) 8.904 1.287 ( -0.261 0.000 -8.684) 8.688 1.535 ( 5.248 0.000 10.617) 11.844 1.676 ( 2.458 0.000 -9.147) 9.471 2.017 ( -2.761 0.000 5.712) 6.344 2.139 ( 0.478 0.000 5.550) 5.570 2.208 ( -0.635 0.000 2.434) 2.515 2.328 ( -7.832 0.000 -0.505) 7.848 2.334 ( 0.173 0.000 -4.163) 4.166 2.352 ( 5.767 0.000 -5.379) 7.886 2.473 ( 1.389 0.000 6.714) 6.856 2.487 ( 0.127 0.000 2.928) 2.931 2.554 ( 0.418 0.000 -3.716) 3.740 2.717 ( 0.228 0.000 -0.289) 0.368 2.753 ( 2.080 0.000 -2.778) 3.470 2.839 ( 1.756 0.000 -0.501) 1.826 2.902 ( 2.869 0.000 2.946) 4.112 2.962 ( -5.822 0.000 1.208) 5.946 3.138 ( 5.227 0.000 1.802) 5.529 3.177 ( -1.808 0.000 0.899) 2.019 3.298 ( 2.116 0.000 -5.376) 5.778 3.376 ( -5.852 0.000 3.188) 6.664 3.508 ( -6.119 0.000 1.119) 6.221 3.727 ( -2.747 0.000 -6.754) 7.291 4.207 ( -1.716 0.000 4.995) 5.282 4.260 ( 4.538 0.000 0.274) 4.547 4.336 ( -1.814 0.000 -3.751) 4.167 4.374 ( -3.956 0.000 4.759) 6.189 4.446 ( 3.963 0.000 -1.011) 4.090 4.617 ( -0.264 0.000 -3.275) 3.286 4.745 ( -4.522 0.000 2.194) 5.027 4.750 ( 1.889 0.000 -0.994) 2.134 4.784 ( -3.005 0.000 -3.735) 4.793 4.816 ( 3.937 0.000 -3.066) 4.990 4.991 ( -0.029 0.000 6.339) 6.339 5.037 ( 2.224 0.000 -1.086) 2.475 5.151 ( -1.583 0.000 -2.632) 3.071 5.168 ( -0.305 0.000 2.579) 2.597 5.268 ( 1.263 0.000 -1.454) 1.926 5.314 ( 0.214 0.000 1.955) 1.967 5.474 ( -2.162 0.000 2.454) 3.270 5.507 ( -0.575 0.000 -3.738) 3.782 5.670 ( -0.524 0.000 0.362) 0.637 5.713 ( 0.345 0.000 -0.885) 0.950 5.759 ( -1.725 0.000 -1.779) 2.478 5.788 ( -0.286 0.000 0.904) 0.948 5.804 ( 3.258 0.000 -5.785) 6.639 5.935 ( -1.025 0.000 3.495) 3.642 ======================= Grid point 178 (88/116) ======================= q-point: ( 0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 3.692 0.000 -4.276) 5.649 1.320 ( 7.585 0.000 1.702) 7.774 1.647 ( 3.300 0.000 8.017) 8.669 1.682 ( 0.631 0.000 -5.765) 5.800 1.988 ( -1.233 0.000 3.975) 4.161 2.085 ( -10.078 0.000 5.915) 11.686 2.198 ( -0.812 0.000 3.005) 3.113 2.215 ( 0.431 0.000 0.473) 0.640 2.344 ( 1.418 0.000 -2.329) 2.727 2.395 ( -1.465 0.000 0.908) 1.724 2.517 ( 1.704 0.000 3.104) 3.541 2.530 ( -2.071 0.000 -2.816) 3.496 2.547 ( 6.143 0.000 -5.863) 8.492 2.674 ( -3.069 0.000 -0.518) 3.113 2.810 ( 2.545 0.000 -2.914) 3.868 2.828 ( -1.105 0.000 -1.317) 1.719 2.908 ( 0.188 0.000 4.341) 4.346 2.978 ( 3.003 0.000 1.252) 3.253 3.113 ( -9.188 0.000 9.964) 13.553 3.127 ( -2.125 0.000 -2.055) 2.956 3.333 ( 5.641 0.000 4.421) 7.167 3.397 ( -6.652 0.000 7.044) 9.688 3.438 ( 8.798 0.000 -15.942) 18.208 3.647 ( -4.204 0.000 -4.767) 6.356 4.175 ( -2.436 0.000 5.672) 6.173 4.291 ( -1.384 0.000 -3.050) 3.349 4.356 ( 0.735 0.000 4.621) 4.679 4.364 ( 5.635 0.000 -0.388) 5.649 4.514 ( 3.410 0.000 -1.054) 3.569 4.580 ( -2.253 0.000 -5.303) 5.762 4.640 ( -6.894 0.000 3.242) 7.618 4.719 ( -2.595 0.000 -4.671) 5.344 4.788 ( 1.854 0.000 -0.309) 1.880 4.854 ( 0.591 0.000 -2.993) 3.051 5.005 ( 0.008 0.000 5.636) 5.636 5.080 ( 2.316 0.000 -1.202) 2.609 5.130 ( -0.218 0.000 -0.942) 0.967 5.172 ( 0.277 0.000 0.987) 1.025 5.288 ( 1.390 0.000 -1.445) 2.005 5.302 ( -1.717 0.000 2.345) 2.907 5.442 ( -1.721 0.000 3.345) 3.762 5.495 ( 0.172 0.000 -3.321) 3.326 5.641 ( -1.809 0.000 0.071) 1.811 5.697 ( -1.609 0.000 -2.339) 2.839 5.747 ( 0.546 0.000 0.132) 0.562 5.779 ( -0.714 0.000 0.565) 0.911 5.878 ( 5.278 0.000 -7.025) 8.787 5.908 ( -2.792 0.000 4.038) 4.909 ======================= Grid point 179 (89/116) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 1.175 0.000 0.692) 1.364 1.374 ( -4.073 0.000 -0.203) 4.078 1.647 ( -4.724 0.000 4.779) 6.719 1.736 ( 6.214 0.000 -3.704) 7.234 1.967 ( -1.080 0.000 3.301) 3.473 2.007 ( 3.714 0.000 1.043) 3.857 2.191 ( -0.702 0.000 3.605) 3.672 2.249 ( 1.547 0.000 -0.019) 1.547 2.353 ( -2.576 0.000 1.028) 2.773 2.380 ( 1.953 0.000 -0.782) 2.104 2.470 ( -3.627 0.000 2.191) 4.238 2.519 ( -2.222 0.000 1.732) 2.817 2.619 ( 2.291 0.000 -3.923) 4.543 2.623 ( -1.869 0.000 -1.060) 2.149 2.807 ( -0.683 0.000 -1.942) 2.059 2.811 ( -1.151 0.000 -1.053) 1.560 2.944 ( -0.344 0.000 3.483) 3.499 3.011 ( -0.471 0.000 7.312) 7.327 3.015 ( 0.440 0.000 0.067) 0.445 3.140 ( 4.673 0.000 -3.787) 6.015 3.283 ( -7.139 0.000 8.851) 11.371 3.449 ( 4.913 0.000 2.756) 5.633 3.553 ( -4.463 0.000 -5.457) 7.050 3.560 ( 7.381 0.000 -12.861) 14.828 4.157 ( -0.752 0.000 6.432) 6.476 4.268 ( -0.036 0.000 -3.721) 3.721 4.409 ( 3.504 0.000 4.122) 5.410 4.452 ( 2.307 0.000 0.434) 2.347 4.499 ( -7.028 0.000 0.179) 7.030 4.527 ( -1.178 0.000 -5.683) 5.804 4.581 ( 2.272 0.000 2.810) 3.614 4.680 ( 0.242 0.000 -5.260) 5.265 4.811 ( 0.542 0.000 0.294) 0.617 4.836 ( -1.489 0.000 -1.949) 2.453 5.010 ( -0.856 0.000 5.576) 5.642 5.105 ( 0.827 0.000 -3.231) 3.335 5.144 ( 1.470 0.000 1.431) 2.051 5.171 ( -0.672 0.000 -1.301) 1.464 5.273 ( -1.615 0.000 2.358) 2.858 5.315 ( 1.841 0.000 -1.721) 2.520 5.426 ( -0.895 0.000 4.079) 4.176 5.501 ( 1.216 0.000 -3.160) 3.386 5.629 ( 0.615 0.000 0.636) 0.885 5.654 ( -1.943 0.000 -2.170) 2.913 5.764 ( 0.932 0.000 0.325) 0.987 5.766 ( -0.795 0.000 0.284) 0.845 5.849 ( -4.456 0.000 4.143) 6.084 5.953 ( 4.075 0.000 -6.131) 7.362 ======================= Grid point 180 (90/116) ======================= q-point: (-0.38 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -9.533 0.000 3.466) 10.144 1.338 ( -2.483 0.000 0.253) 2.496 1.573 ( -3.622 0.000 4.366) 5.672 1.784 ( -0.696 0.000 -4.773) 4.824 2.017 ( 4.281 0.000 0.505) 4.311 2.143 ( 6.473 0.000 1.686) 6.689 2.199 ( 2.773 0.000 2.215) 3.549 2.247 ( -3.488 0.000 4.667) 5.827 2.313 ( -1.892 0.000 1.040) 2.159 2.328 ( -4.075 0.000 -0.715) 4.137 2.454 ( -4.212 0.000 3.839) 5.699 2.482 ( 2.808 0.000 -0.533) 2.858 2.604 ( 0.170 0.000 -2.696) 2.702 2.651 ( 1.791 0.000 0.672) 1.913 2.779 ( -2.646 0.000 -0.804) 2.765 2.803 ( 0.521 0.000 3.458) 3.497 2.945 ( 0.695 0.000 -0.406) 0.805 3.017 ( 0.835 0.000 -5.623) 5.684 3.063 ( 2.716 0.000 5.434) 6.075 3.113 ( -7.170 0.000 14.444) 16.126 3.280 ( 1.886 0.000 -5.861) 6.157 3.491 ( 2.779 0.000 -10.194) 10.566 3.517 ( 1.971 0.000 0.749) 2.108 3.651 ( 4.727 0.000 -8.763) 9.957 4.175 ( 0.858 0.000 7.162) 7.213 4.273 ( 1.248 0.000 -3.290) 3.519 4.365 ( -6.859 0.000 1.102) 6.947 4.442 ( -1.025 0.000 -2.964) 3.137 4.494 ( 4.326 0.000 3.332) 5.460 4.509 ( -1.118 0.000 -2.864) 3.075 4.637 ( 2.947 0.000 2.592) 3.925 4.716 ( 3.871 0.000 -3.484) 5.208 4.800 ( -1.950 0.000 -1.431) 2.419 4.807 ( -1.033 0.000 1.097) 1.507 4.998 ( -1.748 0.000 5.719) 5.980 5.108 ( 0.477 0.000 -3.917) 3.946 5.144 ( -1.451 0.000 -1.536) 2.113 5.177 ( 1.720 0.000 0.683) 1.850 5.255 ( -0.891 0.000 1.887) 2.086 5.345 ( 1.472 0.000 -1.837) 2.354 5.424 ( -0.253 0.000 3.643) 3.651 5.516 ( 0.957 0.000 -3.938) 4.053 5.638 ( 0.983 0.000 0.125) 0.991 5.661 ( 2.198 0.000 1.290) 2.548 5.751 ( -0.878 0.000 -0.051) 0.880 5.764 ( -5.195 0.000 4.093) 6.614 5.780 ( 0.692 0.000 0.329) 0.766 5.998 ( 2.056 0.000 -5.008) 5.414 ======================= Grid point 181 (91/116) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( -4.953 0.000 9.599) 10.802 1.328 ( 1.252 0.000 -0.287) 1.284 1.514 ( -3.281 0.000 3.179) 4.568 1.726 ( -3.183 0.000 -7.263) 7.929 2.095 ( 3.270 0.000 -1.946) 3.805 2.155 ( -4.804 0.000 8.933) 10.143 2.172 ( -0.510 0.000 4.896) 4.923 2.268 ( -1.965 0.000 5.805) 6.129 2.300 ( 0.694 0.000 0.944) 1.172 2.304 ( 0.827 0.000 -5.011) 5.079 2.425 ( 0.308 0.000 5.788) 5.796 2.527 ( 2.288 0.000 -1.261) 2.612 2.608 ( 0.810 0.000 -4.489) 4.562 2.666 ( -1.854 0.000 2.640) 3.226 2.704 ( -4.847 0.000 0.771) 4.908 2.813 ( -1.374 0.000 2.820) 3.137 2.952 ( 0.319 0.000 -3.008) 3.025 2.955 ( -3.642 0.000 6.651) 7.582 3.141 ( 4.277 0.000 5.523) 6.985 3.166 ( 9.391 0.000 -4.134) 10.261 3.196 ( -6.664 0.000 -3.378) 7.471 3.534 ( -0.116 0.000 1.364) 1.369 3.624 ( 10.673 0.000 -12.694) 16.585 3.690 ( 1.077 0.000 -6.024) 6.120 4.214 ( 0.978 0.000 6.869) 6.938 4.259 ( -4.073 0.000 1.408) 4.310 4.284 ( 0.013 0.000 -1.739) 1.739 4.431 ( -0.021 0.000 -1.270) 1.271 4.478 ( -0.378 0.000 -4.504) 4.520 4.571 ( 3.015 0.000 1.513) 3.374 4.704 ( 3.282 0.000 3.657) 4.914 4.743 ( -1.724 0.000 1.066) 2.027 4.753 ( -2.699 0.000 -1.251) 2.974 4.816 ( 2.920 0.000 -1.991) 3.534 4.974 ( -1.926 0.000 5.012) 5.369 5.106 ( 0.330 0.000 -4.427) 4.439 5.124 ( -0.259 0.000 0.100) 0.278 5.207 ( 1.192 0.000 -1.020) 1.569 5.243 ( -0.917 0.000 1.086) 1.421 5.350 ( -0.758 0.000 -1.684) 1.847 5.434 ( 0.414 0.000 3.319) 3.345 5.525 ( 1.104 0.000 -2.830) 3.038 5.675 ( -2.036 0.000 3.926) 4.422 5.682 ( 0.325 0.000 -0.532) 0.624 5.700 ( 1.368 0.000 0.525) 1.465 5.753 ( 1.316 0.000 1.377) 1.905 5.791 ( 0.394 0.000 0.512) 0.646 6.006 ( -0.090 0.000 -3.702) 3.703 ======================= Grid point 182 (92/116) ======================= q-point: (-0.12 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( 1.952 0.000 14.856) 14.984 1.331 ( -3.055 0.000 13.355) 13.700 1.500 ( 2.423 0.000 -10.534) 10.809 1.653 ( -2.161 0.000 -9.792) 10.028 2.087 ( -1.357 0.000 5.168) 5.343 2.170 ( -0.757 0.000 3.031) 3.124 2.194 ( 5.399 0.000 -2.047) 5.774 2.212 ( -5.982 0.000 15.526) 16.638 2.303 ( -0.045 0.000 3.542) 3.542 2.318 ( 1.658 0.000 -3.957) 4.290 2.433 ( -1.551 0.000 2.036) 2.559 2.563 ( 1.884 0.000 -2.953) 3.503 2.595 ( -4.915 0.000 3.149) 5.838 2.608 ( 0.341 0.000 -3.842) 3.857 2.629 ( -2.180 0.000 1.846) 2.856 2.762 ( -3.372 0.000 -1.723) 3.786 2.951 ( 0.635 0.000 -3.503) 3.560 2.959 ( 0.323 0.000 4.329) 4.341 3.092 ( -2.242 0.000 -0.714) 2.354 3.211 ( 1.186 0.000 1.594) 1.987 3.366 ( 11.942 0.000 -6.008) 13.368 3.537 ( -0.327 0.000 7.645) 7.652 3.655 ( -3.771 0.000 -4.562) 5.919 3.769 ( 7.099 0.000 -12.545) 14.414 4.187 ( -1.849 0.000 1.667) 2.490 4.254 ( -2.905 0.000 -0.079) 2.907 4.275 ( 1.994 0.000 5.366) 5.725 4.427 ( 0.568 0.000 -4.435) 4.472 4.485 ( 0.908 0.000 1.268) 1.559 4.604 ( 0.104 0.000 -0.250) 0.271 4.698 ( -2.526 0.000 -0.041) 2.526 4.717 ( 0.019 0.000 -1.935) 1.935 4.770 ( 2.542 0.000 3.952) 4.699 4.858 ( 1.488 0.000 -1.609) 2.191 4.961 ( -0.228 0.000 3.711) 3.718 5.096 ( -0.748 0.000 -4.932) 4.989 5.135 ( 0.926 0.000 1.912) 2.124 5.208 ( -0.430 0.000 -1.031) 1.117 5.223 ( -1.232 0.000 0.691) 1.413 5.315 ( -2.153 0.000 -2.567) 3.350 5.455 ( 0.974 0.000 3.335) 3.475 5.542 ( 0.970 0.000 -1.850) 2.089 5.640 ( -0.379 0.000 1.354) 1.406 5.709 ( -0.336 0.000 -0.913) 0.972 5.711 ( 1.312 0.000 1.440) 1.948 5.794 ( -0.257 0.000 0.098) 0.275 5.813 ( 3.857 0.000 1.964) 4.328 5.978 ( -2.168 0.000 -2.185) 3.078 ======================= Grid point 183 (93/116) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 0.871 6.749 15.375) 16.813 1.350 ( -1.549 3.751 15.362) 15.889 1.525 ( -0.953 3.371 -11.455) 11.979 1.644 ( 1.896 2.943 -12.676) 13.151 2.046 ( 0.375 -2.023 4.981) 5.390 2.120 ( -0.534 -3.246 -1.253) 3.520 2.220 ( -4.128 4.674 6.923) 9.318 2.263 ( 4.849 -3.908 5.350) 8.210 2.287 ( -1.692 -4.418 -0.307) 4.741 2.355 ( 1.120 -0.568 6.132) 6.259 2.370 ( 0.381 -0.263 -4.366) 4.391 2.487 ( -0.207 -5.451 -3.415) 6.435 2.513 ( -1.651 -2.200 4.386) 5.177 2.643 ( 2.513 -0.508 -6.908) 7.369 2.686 ( 2.267 4.687 3.692) 6.383 2.782 ( -1.080 6.556 -3.928) 7.718 2.933 ( -1.660 -0.755 0.523) 1.897 2.959 ( 0.916 -0.839 -2.295) 2.610 3.090 ( 2.197 -1.094 5.255) 5.800 3.187 ( -2.594 0.492 -3.430) 4.328 3.496 ( 0.399 -2.273 -1.278) 2.638 3.519 ( -0.208 -2.977 -4.158) 5.118 3.607 ( -3.852 4.694 11.032) 12.593 3.849 ( 2.218 2.682 -10.676) 11.229 4.176 ( 0.179 0.978 1.487) 1.789 4.192 ( -0.579 0.718 -0.046) 0.924 4.338 ( -0.447 0.573 4.728) 4.783 4.461 ( 1.873 1.108 -6.207) 6.577 4.538 ( -0.201 0.946 3.419) 3.554 4.589 ( -1.292 2.724 -0.290) 3.029 4.700 ( -0.357 2.503 0.703) 2.624 4.747 ( 1.411 1.366 -3.172) 3.731 4.799 ( 0.309 -0.267 2.855) 2.884 4.851 ( -0.221 -0.910 -1.493) 1.763 5.008 ( 0.190 3.138 2.573) 4.062 5.055 ( -2.544 0.649 -1.580) 3.065 5.148 ( 1.049 -0.960 1.319) 1.939 5.189 ( 0.821 -2.330 -1.841) 3.081 5.206 ( 1.528 -1.137 1.116) 2.208 5.265 ( -2.408 0.299 -3.907) 4.599 5.474 ( 0.773 -1.089 3.294) 3.555 5.542 ( 0.506 -0.813 -3.132) 3.275 5.608 ( 0.453 -5.323 1.038) 5.442 5.631 ( 0.379 -4.194 -0.975) 4.322 5.766 ( -0.018 1.756 1.741) 2.473 5.807 ( 0.319 1.605 -1.932) 2.532 5.886 ( 2.287 0.553 2.542) 3.463 5.931 ( -2.828 1.099 -1.845) 3.551 ======================= Grid point 184 (94/116) ======================= q-point: ( 0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( -3.355 6.171 12.466) 14.309 1.378 ( 0.880 4.699 5.565) 7.336 1.486 ( -0.081 4.111 -2.567) 4.847 1.669 ( 3.556 3.248 -11.847) 12.789 2.060 ( -0.475 -0.698 4.130) 4.215 2.100 ( -1.439 -1.666 2.494) 3.326 2.189 ( 0.838 -1.071 -0.651) 1.507 2.244 ( -2.278 -3.039 0.765) 3.875 2.356 ( 2.459 -3.880 2.264) 5.121 2.368 ( 0.098 -1.494 3.590) 3.890 2.382 ( 0.034 -1.610 -2.439) 2.922 2.481 ( 0.708 -4.286 1.515) 4.601 2.499 ( -0.764 -1.908 1.512) 2.551 2.660 ( 1.415 -2.443 -6.846) 7.405 2.775 ( 5.186 3.155 2.747) 6.663 2.781 ( 0.792 4.868 -1.063) 5.045 2.900 ( -1.388 -0.254 -0.541) 1.511 3.011 ( 3.876 -2.332 0.807) 4.594 3.094 ( -4.884 1.168 0.871) 5.097 3.161 ( 1.350 0.343 2.597) 2.947 3.337 ( -4.831 -0.261 -7.877) 9.244 3.500 ( -7.150 -1.176 5.728) 9.237 3.627 ( 0.896 4.209 4.934) 6.547 3.843 ( -0.323 5.096 -9.001) 10.349 4.185 ( 0.035 -0.348 1.908) 1.940 4.217 ( 3.034 2.216 0.538) 3.795 4.351 ( 0.543 -1.539 1.850) 2.467 4.455 ( -1.909 4.095 0.169) 4.521 4.501 ( -2.047 1.896 -2.227) 3.570 4.600 ( 1.682 2.099 1.063) 2.892 4.702 ( 0.362 -1.447 -2.115) 2.588 4.772 ( 1.316 1.379 -0.778) 2.059 4.802 ( -0.556 0.317 1.819) 1.928 4.832 ( -1.084 -0.281 -2.042) 2.329 4.998 ( -1.616 1.429 3.056) 3.740 5.028 ( 0.126 1.594 0.416) 1.652 5.160 ( -0.040 -1.096 0.821) 1.370 5.197 ( -1.231 -0.150 -3.029) 3.273 5.217 ( 0.957 -2.379 -1.084) 2.784 5.267 ( 2.560 -0.717 1.081) 2.870 5.477 ( -1.153 -1.616 1.348) 2.399 5.545 ( 0.476 0.565 -3.009) 3.099 5.609 ( 0.455 -5.703 0.442) 5.738 5.665 ( 2.845 -2.507 -1.766) 4.183 5.765 ( -0.125 0.529 1.097) 1.224 5.791 ( -1.717 0.751 -2.256) 2.933 5.867 ( -2.911 2.202 -1.956) 4.141 5.922 ( 0.568 -0.428 2.987) 3.071 ======================= Grid point 185 (95/116) ======================= q-point: ( 0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 0.892 4.146 5.096) 6.630 1.381 ( 0.640 8.680 -5.280) 10.180 1.545 ( 4.400 1.288 9.157) 10.240 1.706 ( 2.340 2.996 -8.464) 9.278 2.031 ( -2.764 0.835 3.909) 4.860 2.102 ( 0.081 -3.240 4.677) 5.690 2.213 ( -1.527 -1.460 2.767) 3.481 2.240 ( 4.342 -4.933 -5.205) 8.383 2.282 ( -7.089 -4.318 -0.403) 8.310 2.381 ( 2.138 -0.192 -4.439) 4.931 2.426 ( 1.399 -3.039 3.693) 4.983 2.476 ( -1.120 -1.112 1.400) 2.109 2.520 ( 1.553 -4.880 -0.443) 5.141 2.668 ( 0.015 -4.467 -1.962) 4.879 2.760 ( -1.573 0.834 -0.722) 1.921 2.849 ( 0.350 0.580 -0.380) 0.777 2.916 ( 0.355 -1.776 4.275) 4.643 2.935 ( -5.571 -0.935 0.686) 5.691 3.096 ( 2.565 -1.596 1.755) 3.494 3.200 ( 2.379 1.945 2.234) 3.799 3.340 ( 1.093 3.928 -0.814) 4.158 3.398 ( 0.465 3.634 -3.444) 5.028 3.593 ( -4.474 7.237 2.856) 8.975 3.797 ( -3.178 5.939 -4.917) 8.339 4.184 ( -0.686 -0.345 2.865) 2.966 4.287 ( 3.466 1.762 0.902) 3.991 4.340 ( -1.030 0.232 0.395) 1.127 4.440 ( -1.193 4.204 2.345) 4.959 4.470 ( 0.748 3.617 -1.519) 3.994 4.624 ( -0.005 0.426 -2.851) 2.883 4.706 ( -0.034 -2.637 -1.081) 2.850 4.760 ( -1.633 -0.398 1.431) 2.208 4.774 ( -2.073 0.082 -2.851) 3.526 4.838 ( 1.454 1.501 -2.257) 3.076 4.986 ( -0.307 -0.350 4.389) 4.414 5.048 ( 1.602 1.129 0.636) 2.061 5.144 ( -0.915 -0.915 -2.086) 2.455 5.176 ( -0.634 0.660 1.343) 1.625 5.249 ( 2.238 -1.719 -0.775) 2.926 5.297 ( 0.141 -1.222 1.761) 2.148 5.447 ( -1.945 -2.062 0.493) 2.877 5.531 ( -1.121 1.250 -2.517) 3.026 5.633 ( 1.410 -3.707 1.459) 4.226 5.708 ( -0.024 -0.773 -1.210) 1.436 5.739 ( -1.304 -1.120 -0.531) 1.799 5.783 ( 2.576 -0.622 -3.547) 4.427 5.815 ( -2.077 0.873 -3.632) 4.274 5.925 ( -1.117 -0.922 3.604) 3.884 ======================= Grid point 186 (96/116) ======================= q-point: ( 0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 6.200 2.685 -0.352) 6.766 1.413 ( 3.535 7.417 -2.023) 8.462 1.635 ( 2.428 -0.569 4.564) 5.201 1.716 ( 0.271 2.726 -2.059) 3.427 1.994 ( -1.946 -0.117 3.150) 3.704 2.056 ( -8.087 -2.381 4.784) 9.693 2.162 ( -0.594 -2.920 2.270) 3.746 2.210 ( -0.551 -1.185 2.512) 2.832 2.315 ( 3.844 -3.444 -4.393) 6.778 2.395 ( -1.639 -0.558 -0.140) 1.737 2.439 ( -0.126 -4.033 -0.505) 4.066 2.488 ( 3.438 -5.270 -4.202) 7.566 2.515 ( -2.213 -4.488 -0.334) 5.015 2.639 ( -2.443 -5.105 -0.483) 5.680 2.752 ( 0.642 -2.726 -0.134) 2.804 2.784 ( -4.121 -4.978 0.854) 6.519 2.878 ( 2.157 0.016 -0.837) 2.314 2.973 ( -0.692 0.258 0.843) 1.120 3.118 ( 1.055 3.005 4.068) 5.166 3.223 ( -1.876 3.319 1.778) 4.207 3.359 ( 4.204 3.753 6.951) 8.949 3.502 ( -1.928 8.705 1.113) 8.985 3.513 ( 5.178 7.705 -8.382) 12.508 3.705 ( -5.144 5.416 -3.536) 8.264 4.175 ( -1.023 0.540 4.483) 4.630 4.296 ( -0.671 0.516 -1.592) 1.802 4.388 ( 3.122 3.330 2.236) 5.082 4.422 ( 1.034 4.332 0.338) 4.466 4.511 ( 2.200 0.336 1.381) 2.619 4.595 ( -1.555 0.846 -4.325) 4.673 4.635 ( -5.907 -0.072 1.143) 6.017 4.720 ( -2.460 0.267 -4.735) 5.343 4.787 ( 2.636 -0.448 -1.448) 3.041 4.842 ( -0.464 -0.994 -1.499) 1.858 5.000 ( 0.179 -0.318 5.321) 5.333 5.081 ( 1.613 0.068 -0.626) 1.732 5.135 ( 0.455 0.079 -1.193) 1.279 5.170 ( -0.293 -0.313 0.979) 1.069 5.285 ( -0.857 -0.692 2.381) 2.623 5.295 ( 1.828 0.090 -0.856) 2.021 5.417 ( -1.374 -2.211 2.214) 3.417 5.505 ( -0.780 0.672 -2.899) 3.076 5.644 ( -1.369 0.224 0.301) 1.420 5.671 ( -0.729 -3.844 0.110) 3.914 5.733 ( -1.313 0.447 -0.237) 1.407 5.772 ( -0.839 -1.604 -2.374) 2.985 5.856 ( 5.083 -1.893 -6.124) 8.180 5.898 ( -2.521 -1.043 3.503) 4.440 ======================= Grid point 187 (97/116) ======================= q-point: (-0.50 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 0.272 3.773 1.770) 4.177 1.425 ( -3.406 4.706 -0.820) 5.867 1.655 ( -4.198 0.666 4.169) 5.953 1.733 ( 6.292 -0.609 -3.445) 7.200 1.961 ( -0.106 -0.720 3.274) 3.354 2.000 ( 1.790 -0.779 1.273) 2.330 2.171 ( -0.651 -1.911 4.130) 4.597 2.216 ( 0.283 -3.633 1.832) 4.079 2.328 ( -4.476 -3.507 -0.668) 5.725 2.370 ( 2.190 -2.439 -2.331) 4.022 2.420 ( -2.672 -2.088 2.843) 4.425 2.449 ( -2.120 -5.726 2.437) 6.574 2.555 ( 3.105 -5.010 -3.330) 6.770 2.599 ( -0.292 -4.492 -5.497) 7.104 2.743 ( -1.743 -3.132 1.998) 4.104 2.779 ( 1.852 -4.646 -0.731) 5.055 2.919 ( 0.827 -0.112 0.171) 0.852 2.943 ( -0.087 0.784 -1.370) 1.581 3.146 ( -0.419 5.231 4.295) 6.782 3.213 ( 2.595 4.457 -1.982) 5.525 3.402 ( -7.053 10.135 8.717) 15.114 3.466 ( 4.285 2.696 4.540) 6.800 3.581 ( -2.883 4.058 -5.400) 7.345 3.657 ( 5.736 7.963 -9.829) 13.889 4.173 ( -0.351 1.524 5.833) 6.039 4.277 ( -0.636 0.748 -3.631) 3.761 4.436 ( 2.915 2.712 4.229) 5.808 4.474 ( 0.938 2.018 0.105) 2.227 4.521 ( -5.129 2.211 0.502) 5.608 4.535 ( 0.226 0.469 -0.737) 0.902 4.587 ( 1.617 1.015 -1.284) 2.301 4.675 ( -0.531 -0.657 -5.529) 5.594 4.801 ( -1.522 -0.723 0.782) 1.857 4.841 ( 1.408 0.074 -3.289) 3.578 5.006 ( -0.876 -0.018 5.770) 5.837 5.099 ( 0.782 -0.772 -2.597) 2.820 5.153 ( 0.943 0.582 0.910) 1.434 5.165 ( -0.329 -0.642 -0.684) 0.994 5.266 ( -1.244 -0.593 3.013) 3.313 5.322 ( 1.104 0.705 -2.301) 2.648 5.414 ( 0.178 -1.160 4.248) 4.408 5.494 ( 0.441 -0.659 -3.615) 3.701 5.630 ( 0.465 -0.124 0.386) 0.617 5.647 ( -1.495 -1.337 -1.379) 2.434 5.717 ( -0.372 -2.637 1.892) 3.267 5.761 ( -0.143 -1.538 -2.141) 2.640 5.840 ( -4.085 -0.896 3.669) 5.564 5.935 ( 4.125 -1.838 -5.731) 7.296 ======================= Grid point 188 (98/116) ======================= q-point: (-0.38 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -8.739 4.462 3.317) 10.357 1.392 ( -1.834 5.434 0.737) 5.782 1.590 ( -3.030 1.634 3.988) 5.268 1.792 ( -1.010 0.580 -4.049) 4.213 2.007 ( 3.580 -1.380 1.081) 3.986 2.118 ( 7.772 -4.235 2.816) 9.288 2.154 ( -2.972 -4.143 6.485) 8.249 2.175 ( -2.997 -5.530 1.524) 6.472 2.289 ( 1.074 -1.115 -4.429) 4.692 2.346 ( -3.287 0.870 2.853) 4.439 2.386 ( -0.452 -4.760 0.863) 4.859 2.479 ( 2.235 -2.115 1.517) 3.431 2.563 ( 0.319 -3.289 -4.856) 5.874 2.624 ( 1.377 -3.532 1.096) 3.947 2.727 ( -0.289 -1.622 0.590) 1.750 2.811 ( 3.030 -2.986 -0.799) 4.329 2.913 ( 0.066 -1.513 -2.790) 3.174 2.957 ( -0.045 -0.454 1.660) 1.721 3.149 ( -0.301 2.494 -0.293) 2.529 3.227 ( -4.158 8.893 9.717) 13.813 3.304 ( -3.160 4.246 -1.152) 5.417 3.526 ( 1.262 3.263 -6.174) 7.097 3.536 ( 2.150 3.468 0.210) 4.085 3.752 ( 5.437 8.409 -7.382) 12.440 4.185 ( -0.032 1.170 5.857) 5.973 4.263 ( -0.045 0.015 -1.329) 1.330 4.414 ( -4.632 3.489 0.196) 5.803 4.460 ( -1.427 1.334 -1.336) 2.367 4.520 ( 3.777 2.399 2.545) 5.148 4.540 ( -0.005 3.018 -3.256) 4.440 4.628 ( 2.488 -0.804 2.789) 3.823 4.693 ( 2.390 -1.821 -3.063) 4.291 4.771 ( -0.816 -1.117 -0.123) 1.389 4.850 ( -0.118 2.385 -2.036) 3.138 4.997 ( -1.303 -0.089 5.457) 5.611 5.102 ( 0.211 -0.847 -2.979) 3.104 5.137 ( -1.566 -0.501 -0.773) 1.817 5.182 ( 1.368 0.103 -0.160) 1.381 5.255 ( -0.734 0.194 2.638) 2.746 5.334 ( 0.626 -0.822 -1.756) 2.038 5.429 ( 0.370 0.267 2.421) 2.464 5.499 ( 0.853 -1.795 -3.635) 4.143 5.636 ( 1.414 -0.361 0.637) 1.592 5.665 ( 1.701 -0.452 0.976) 2.013 5.707 ( -1.691 -3.636 2.992) 5.003 5.744 ( -1.854 -0.765 -0.115) 2.009 5.781 ( -1.166 -0.624 0.550) 1.433 5.983 ( 2.211 -1.605 -4.715) 5.449 ======================= Grid point 189 (99/116) ======================= q-point: (-0.25 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -3.955 6.311 8.762) 11.500 1.389 ( 1.066 6.096 0.851) 6.247 1.538 ( -3.073 2.429 3.271) 5.104 1.727 ( -3.329 0.120 -6.353) 7.173 2.065 ( -2.455 -4.110 4.729) 6.730 2.084 ( 1.707 -3.950 3.289) 5.416 2.147 ( -0.726 -2.661 2.603) 3.793 2.250 ( 3.067 -4.244 -0.351) 5.248 2.302 ( -1.908 1.246 3.217) 3.942 2.310 ( 1.460 0.001 -4.030) 4.286 2.407 ( 2.012 -1.416 4.201) 4.868 2.495 ( -0.838 -3.274 0.498) 3.416 2.569 ( 1.415 -2.088 -5.197) 5.777 2.612 ( -2.669 -5.581 1.883) 6.467 2.729 ( -0.682 1.961 2.408) 3.179 2.851 ( -1.175 1.786 1.242) 2.473 2.947 ( 1.158 0.095 -1.687) 2.048 2.978 ( 5.874 -1.155 0.293) 5.994 3.082 ( -3.144 2.013 5.844) 6.935 3.178 ( -5.762 0.359 -0.855) 5.836 3.262 ( 1.922 3.284 -2.865) 4.763 3.556 ( 1.417 1.474 -1.922) 2.806 3.602 ( 5.404 3.010 -4.267) 7.515 3.813 ( 2.368 8.104 -6.198) 10.474 4.186 ( -0.854 -0.383 3.267) 3.398 4.271 ( -0.394 1.561 2.778) 3.211 4.345 ( -1.863 3.224 -0.092) 3.725 4.433 ( -1.324 0.186 -0.610) 1.470 4.522 ( 0.167 3.113 -3.999) 5.070 4.595 ( 2.652 2.303 0.300) 3.525 4.675 ( 0.469 -2.850 2.917) 4.105 4.708 ( 1.657 0.110 0.965) 1.921 4.802 ( 3.182 -0.958 -1.749) 3.755 4.824 ( -2.236 3.885 -0.838) 4.561 4.986 ( -0.889 1.107 4.404) 4.627 5.097 ( 0.271 -1.068 -3.558) 3.725 5.114 ( -0.579 -0.932 0.292) 1.135 5.205 ( 1.041 -0.273 -1.111) 1.546 5.239 ( -1.643 0.001 0.586) 1.745 5.335 ( -0.232 -1.436 -1.609) 2.168 5.437 ( 0.248 0.144 1.288) 1.320 5.514 ( 1.233 -1.342 -1.344) 2.265 5.638 ( -3.833 -3.802 3.441) 6.402 5.675 ( -1.114 -1.692 -0.457) 2.077 5.693 ( 3.167 -0.207 1.153) 3.376 5.756 ( 2.230 0.837 2.685) 3.590 5.788 ( 1.281 -0.108 -1.485) 1.964 5.996 ( 0.275 -1.090 -3.626) 3.796 ======================= Grid point 190 (100/116) ======================= q-point: (-0.12 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 2.080 7.159 13.452) 15.380 1.378 ( -4.152 4.511 14.128) 15.401 1.533 ( 2.684 3.451 -10.138) 11.041 1.662 ( -1.325 0.987 -9.751) 9.890 2.034 ( -0.964 -3.189 6.284) 7.113 2.129 ( 0.269 -3.388 -1.638) 3.773 2.168 ( 3.552 -3.123 3.796) 6.064 2.273 ( -2.406 2.222 5.137) 6.092 2.286 ( 1.404 -3.011 0.585) 3.373 2.325 ( 0.707 1.506 0.440) 1.721 2.413 ( -3.533 -0.668 4.189) 5.520 2.483 ( 0.928 -5.043 -2.469) 5.692 2.552 ( -2.949 -4.701 1.996) 5.897 2.604 ( 2.658 -0.614 -5.806) 6.415 2.687 ( -3.037 4.225 4.980) 7.202 2.829 ( -1.958 4.929 -1.020) 5.401 2.942 ( -0.653 0.435 -2.687) 2.800 2.990 ( -1.244 1.884 2.942) 3.709 3.070 ( -3.148 -0.902 1.259) 3.508 3.196 ( 5.001 -1.564 -0.727) 5.290 3.326 ( 7.648 -2.612 -4.189) 9.103 3.578 ( 0.804 0.345 -0.366) 0.948 3.656 ( -1.086 2.966 1.881) 3.677 3.824 ( 1.842 4.646 -9.081) 10.366 4.178 ( -0.577 0.215 1.970) 2.064 4.230 ( -3.067 1.388 0.137) 3.369 4.344 ( -0.797 2.227 5.534) 6.018 4.430 ( 2.074 -0.341 -4.071) 4.582 4.519 ( 0.355 2.215 -0.446) 2.287 4.617 ( -0.398 1.676 -0.307) 1.749 4.687 ( 1.336 -0.043 -0.104) 1.341 4.754 ( 0.629 0.651 0.473) 1.021 4.780 ( -0.795 3.510 1.305) 3.828 4.844 ( 1.434 -1.254 -1.352) 2.336 4.990 ( 0.499 2.787 2.875) 4.035 5.093 ( -0.292 -0.127 -3.601) 3.615 5.121 ( 1.063 -1.766 1.399) 2.491 5.194 ( -1.714 -0.359 0.186) 1.761 5.212 ( -0.855 -1.376 -1.351) 2.109 5.313 ( -1.578 -0.416 -3.000) 3.415 5.450 ( 0.700 -0.277 3.018) 3.110 5.532 ( 0.974 -1.699 -1.228) 2.312 5.599 ( -0.730 -4.179 1.820) 4.616 5.648 ( -1.341 -3.828 -0.595) 4.099 5.747 ( 1.849 1.531 1.206) 2.687 5.795 ( 1.127 0.370 0.421) 1.259 5.828 ( 3.138 1.570 0.786) 3.596 5.978 ( -1.482 -0.145 -2.527) 2.933 ======================= Grid point 191 (101/116) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.386 9.699 12.791) 16.057 1.461 ( -0.527 8.076 10.005) 12.869 1.619 ( -0.753 6.165 -7.840) 10.002 1.710 ( 3.392 3.257 -12.415) 13.276 2.012 ( 0.433 -2.265 2.032) 3.074 2.046 ( 0.166 -3.778 -1.647) 4.125 2.147 ( 4.134 -7.975 5.818) 10.703 2.180 ( -2.622 -6.049 0.795) 6.641 2.256 ( -1.479 -2.606 1.637) 3.415 2.339 ( -1.193 -1.390 1.918) 2.653 2.361 ( 0.364 -1.628 -3.350) 3.742 2.406 ( -0.315 -0.738 -2.475) 2.602 2.478 ( 0.254 -0.662 4.198) 4.258 2.598 ( 0.663 -3.050 -6.815) 7.495 2.838 ( 1.101 9.305 5.632) 10.932 2.884 ( 0.311 2.660 0.689) 2.765 2.917 ( -3.103 -0.138 -0.262) 3.118 2.965 ( -0.585 2.106 -3.585) 4.199 3.100 ( 0.826 1.860 6.801) 7.099 3.203 ( -0.641 0.833 -2.013) 2.271 3.436 ( 4.556 -3.360 -1.860) 5.959 3.445 ( -3.421 -3.900 -2.984) 5.985 3.707 ( -3.455 5.155 10.367) 12.083 3.886 ( 1.669 0.582 -6.333) 6.575 4.234 ( 1.743 3.980 0.381) 4.362 4.246 ( -1.976 4.511 -0.891) 5.005 4.347 ( -0.915 1.270 4.549) 4.811 4.443 ( 2.204 -1.518 -4.334) 5.094 4.555 ( -1.157 0.896 3.325) 3.633 4.618 ( 0.124 -0.555 -2.672) 2.732 4.683 ( 0.498 -3.960 4.749) 6.203 4.765 ( -0.886 -1.507 -2.829) 3.325 4.860 ( 0.607 4.580 -0.414) 4.638 4.870 ( 0.410 5.265 -1.428) 5.471 5.069 ( -2.211 0.715 2.572) 3.466 5.078 ( -1.254 2.577 1.265) 3.133 5.121 ( 1.080 -1.412 -1.267) 2.183 5.141 ( 0.854 -0.841 -2.241) 2.541 5.204 ( 0.913 0.767 2.176) 2.481 5.276 ( -1.533 0.783 -4.467) 4.787 5.418 ( 0.286 -5.905 3.651) 6.949 5.453 ( -0.183 -6.922 0.807) 6.971 5.542 ( -0.260 -1.637 -3.243) 3.642 5.554 ( 2.901 -3.358 -3.229) 5.488 5.800 ( -0.149 1.671 1.445) 2.214 5.830 ( 0.327 0.837 -1.303) 1.582 5.910 ( 1.157 1.817 1.872) 2.854 5.952 ( -1.517 0.913 -2.264) 2.874 ======================= Grid point 192 (102/116) ======================= q-point: ( 0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -3.718 10.016 7.998) 13.346 1.495 ( 2.613 7.473 7.668) 11.021 1.600 ( 0.274 7.184 -5.603) 9.115 1.746 ( 3.374 4.088 -12.032) 13.148 2.017 ( 0.005 -3.449 1.550) 3.781 2.054 ( 0.790 -2.886 -1.998) 3.598 2.109 ( -3.900 -5.598 -0.969) 6.891 2.213 ( -0.148 -4.924 6.728) 8.339 2.247 ( 1.798 -6.390 -1.137) 6.735 2.311 ( -3.097 0.655 3.104) 4.434 2.373 ( 2.290 -4.408 -1.754) 5.267 2.409 ( 0.525 0.044 -2.219) 2.281 2.475 ( -1.364 -0.823 3.015) 3.410 2.589 ( 0.098 -4.231 -6.515) 7.769 2.812 ( -2.791 2.087 0.584) 3.533 2.876 ( 0.531 0.420 3.902) 3.960 2.906 ( -2.314 2.470 -0.574) 3.433 2.963 ( -0.667 -1.444 2.762) 3.187 3.118 ( -4.105 1.166 1.486) 4.519 3.166 ( 0.114 -1.178 4.576) 4.726 3.381 ( 4.650 5.445 -8.362) 11.009 3.495 ( -1.010 1.878 2.338) 3.164 3.723 ( 1.474 4.959 8.050) 9.569 3.910 ( 1.319 0.850 -4.678) 4.934 4.219 ( -0.524 3.330 0.302) 3.384 4.274 ( 1.527 3.001 0.877) 3.479 4.343 ( 0.071 1.859 2.246) 2.916 4.480 ( 2.684 -2.342 -4.952) 6.100 4.525 ( -1.442 3.084 1.807) 3.854 4.620 ( -0.385 -2.778 0.828) 2.924 4.689 ( -1.225 -1.104 3.243) 3.639 4.738 ( -0.613 -2.128 -2.800) 3.570 4.862 ( -0.683 5.019 -0.789) 5.127 4.876 ( 0.414 4.532 -0.925) 4.644 5.017 ( -3.510 0.526 2.409) 4.290 5.058 ( -0.483 -0.207 1.097) 1.216 5.126 ( -0.051 -1.509 -1.371) 2.039 5.172 ( 1.832 -0.499 -0.267) 1.917 5.208 ( -1.098 0.523 1.074) 1.623 5.268 ( 1.644 0.765 -1.609) 2.424 5.430 ( -1.385 -3.775 0.901) 4.121 5.458 ( 1.823 -8.156 2.316) 8.672 5.551 ( 2.500 -1.072 -4.452) 5.217 5.615 ( 3.669 -2.397 -4.020) 5.947 5.783 ( -1.755 1.144 1.032) 2.335 5.805 ( -2.511 0.599 -1.753) 3.120 5.904 ( -2.908 1.562 -2.393) 4.077 5.921 ( -0.469 0.393 2.637) 2.708 ======================= Grid point 193 (103/116) ======================= q-point: ( 0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( -1.313 8.748 2.937) 9.321 1.574 ( 2.032 10.215 -2.387) 10.685 1.593 ( 1.519 3.993 4.514) 6.215 1.774 ( 1.535 3.336 -7.723) 8.552 2.010 ( -2.651 -3.876 1.624) 4.968 2.037 ( -0.365 -2.971 -0.110) 2.996 2.099 ( 3.085 -5.714 -3.893) 7.571 2.183 ( -4.221 -4.307 2.101) 6.386 2.252 ( -2.549 0.877 1.261) 2.976 2.287 ( 1.519 -7.817 1.646) 8.131 2.402 ( 0.119 -0.732 -5.429) 5.479 2.427 ( 2.317 -3.913 1.406) 4.760 2.446 ( -2.015 -1.635 2.441) 3.563 2.561 ( -2.885 -6.399 -2.375) 7.410 2.763 ( -2.944 -0.351 1.473) 3.311 2.827 ( -7.032 -2.665 -0.598) 7.543 2.858 ( -2.160 -0.974 0.409) 2.404 2.953 ( 4.346 -0.404 2.467) 5.014 3.095 ( 0.651 1.595 0.570) 1.814 3.213 ( 2.322 -0.903 3.313) 4.145 3.454 ( 0.926 8.947 7.877) 11.956 3.543 ( 8.135 9.681 -8.206) 15.075 3.730 ( -2.155 6.457 3.295) 7.562 3.891 ( -2.907 2.585 -0.975) 4.011 4.216 ( -0.507 3.427 2.403) 4.216 4.288 ( 0.335 -0.907 1.295) 1.617 4.382 ( 3.677 3.920 0.204) 5.378 4.505 ( 0.368 -0.650 -3.784) 3.857 4.521 ( 0.442 3.944 0.739) 4.037 4.608 ( -1.034 -3.261 1.209) 3.628 4.673 ( 0.025 -0.402 0.154) 0.431 4.721 ( -1.178 -3.067 -2.610) 4.196 4.833 ( -1.735 6.139 -1.541) 6.563 4.867 ( -1.864 1.510 0.766) 2.518 4.975 ( -0.851 -0.730 2.089) 2.371 5.065 ( 0.819 -0.381 1.291) 1.575 5.113 ( -0.403 -2.140 -1.129) 2.453 5.184 ( -1.275 0.290 0.120) 1.313 5.228 ( 3.465 0.090 1.878) 3.942 5.287 ( 0.109 0.167 0.645) 0.675 5.401 ( -1.276 -2.681 -0.697) 3.050 5.500 ( 1.595 -5.308 0.709) 5.588 5.582 ( 0.675 -0.396 -1.056) 1.315 5.673 ( 3.119 -2.819 -4.472) 6.138 5.728 ( -3.445 0.166 -0.823) 3.546 5.772 ( 0.308 -0.746 -2.675) 2.794 5.835 ( -3.773 1.389 -2.264) 4.614 5.907 ( -1.664 -0.863 2.817) 3.384 ======================= Grid point 194 (104/116) ======================= q-point: ( 0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 5.201 5.911 0.753) 7.909 1.572 ( 0.511 7.918 -1.728) 8.121 1.641 ( -0.231 1.942 2.679) 3.316 1.761 ( -2.012 1.140 -1.413) 2.710 1.948 ( -3.584 -3.814 3.189) 6.128 2.028 ( -1.789 -1.060 -1.233) 2.417 2.107 ( -1.869 -2.581 3.196) 4.513 2.164 ( 3.042 -4.106 -1.264) 5.264 2.224 ( -0.229 -5.360 -4.606) 7.071 2.317 ( 1.529 -6.052 2.695) 6.799 2.360 ( -4.973 -5.399 -4.471) 8.595 2.417 ( 0.166 0.317 -0.096) 0.371 2.450 ( -3.111 -3.014 2.094) 4.811 2.493 ( 0.092 -7.556 -0.952) 7.616 2.720 ( -0.751 -1.198 0.396) 1.469 2.737 ( -2.004 -0.002 0.148) 2.009 2.894 ( 3.772 1.481 -1.227) 4.234 3.014 ( 0.456 2.594 -0.644) 2.711 3.122 ( 3.127 -1.673 1.640) 3.907 3.243 ( -0.150 -0.952 2.108) 2.318 3.499 ( 1.923 10.038 8.798) 13.486 3.679 ( -2.977 8.428 1.954) 9.149 3.679 ( 6.937 9.030 -8.095) 13.971 3.810 ( -5.047 4.296 1.629) 6.825 4.212 ( -0.373 3.504 3.076) 4.678 4.298 ( 0.373 -0.183 -0.278) 0.500 4.458 ( 2.780 3.664 1.690) 4.901 4.486 ( -0.036 0.831 -1.104) 1.383 4.535 ( 0.522 2.582 1.832) 3.208 4.588 ( -1.102 -2.028 -0.647) 2.397 4.651 ( -2.608 1.887 -1.663) 3.623 4.703 ( -0.103 -2.938 -5.467) 6.207 4.809 ( 0.332 4.280 -2.057) 4.761 4.825 ( -2.347 -0.885 1.665) 3.011 4.990 ( 1.336 -0.818 3.065) 3.443 5.083 ( 0.243 -0.079 0.559) 0.615 5.118 ( 1.088 -1.800 0.129) 2.107 5.157 ( -1.108 -1.167 0.309) 1.638 5.276 ( -1.064 0.039 2.838) 3.031 5.308 ( 3.839 0.966 1.416) 4.204 5.379 ( -1.016 -1.084 -0.867) 1.721 5.505 ( -0.754 -1.616 -2.473) 3.049 5.576 ( -1.026 -4.257 1.777) 4.726 5.647 ( -2.253 -0.748 -1.134) 2.631 5.722 ( 0.459 -2.270 -4.010) 4.630 5.758 ( -2.632 1.573 -0.725) 3.150 5.816 ( 4.134 -2.200 -4.957) 6.819 5.872 ( -2.738 -1.548 2.676) 4.130 ======================= Grid point 195 (105/116) ======================= q-point: (-0.50 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -0.799 5.416 3.165) 6.324 1.540 ( -2.664 7.054 -1.222) 7.639 1.659 ( 0.870 -0.870 2.564) 2.844 1.705 ( 1.536 -1.751 -2.152) 3.172 1.935 ( 1.046 -2.061 4.202) 4.795 1.977 ( -3.319 -1.511 2.810) 4.604 2.094 ( -2.842 -6.620 3.008) 7.807 2.159 ( -1.712 -0.940 1.172) 2.277 2.216 ( -0.940 -7.812 -1.667) 8.042 2.288 ( 1.322 -3.515 -4.854) 6.137 2.364 ( 1.163 -3.730 0.528) 3.943 2.412 ( 0.489 -3.092 2.846) 4.231 2.440 ( 2.802 -3.293 -5.324) 6.859 2.506 ( 0.990 -2.954 -3.957) 5.036 2.709 ( -1.258 -0.516 2.020) 2.435 2.732 ( 1.005 -0.728 -0.428) 1.313 2.951 ( 0.680 3.113 0.247) 3.196 2.988 ( -0.650 3.395 -2.858) 4.485 3.186 ( -0.075 -1.011 2.966) 3.135 3.238 ( 2.094 -1.808 -1.891) 3.351 3.552 ( 1.108 7.136 5.928) 9.343 3.619 ( -3.473 10.266 4.414) 11.702 3.697 ( -4.195 6.879 0.189) 8.059 3.809 ( 5.651 6.652 -5.292) 10.208 4.220 ( 0.343 3.768 3.561) 5.196 4.293 ( -0.505 1.156 -2.722) 3.000 4.469 ( -0.135 -0.493 6.351) 6.371 4.507 ( -0.822 0.801 0.197) 1.164 4.539 ( -0.818 1.477 0.728) 1.838 4.589 ( 2.243 2.754 -1.927) 4.041 4.626 ( 1.261 2.980 -2.281) 3.959 4.658 ( -2.691 -0.533 -5.420) 6.075 4.788 ( -1.987 -0.587 1.765) 2.722 4.836 ( 2.443 -0.089 -2.721) 3.658 5.020 ( 0.219 1.242 3.387) 3.614 5.070 ( -0.469 -2.281 -0.676) 2.425 5.141 ( 0.903 -1.923 0.515) 2.186 5.155 ( 0.218 -0.088 -0.179) 0.295 5.265 ( -0.536 0.800 4.051) 4.164 5.340 ( -0.666 0.896 -2.555) 2.788 5.392 ( 2.403 -0.840 3.934) 4.686 5.477 ( -1.176 -1.211 -4.195) 4.521 5.569 ( 0.422 -5.452 1.717) 5.732 5.609 ( -1.510 -2.784 -1.652) 3.572 5.711 ( -0.526 1.533 -0.035) 1.621 5.736 ( 0.251 -0.237 -2.429) 2.454 5.817 ( -3.661 -1.510 2.232) 4.546 5.887 ( 4.007 -3.064 -4.610) 6.834 ======================= Grid point 196 (106/116) ======================= q-point: (-0.38 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -6.401 6.521 2.928) 9.595 1.529 ( -0.934 8.158 2.215) 8.505 1.630 ( -1.419 2.494 2.567) 3.850 1.791 ( 0.050 -1.168 -2.136) 2.435 1.947 ( 1.453 -5.916 4.093) 7.339 1.978 ( 0.750 -6.299 8.133) 10.315 2.043 ( -0.344 -6.445 -1.387) 6.602 2.139 ( 0.083 0.416 0.719) 0.834 2.238 ( 2.467 -5.327 -2.112) 6.239 2.315 ( 1.735 -2.143 -1.383) 3.085 2.340 ( -1.831 -1.766 0.192) 2.551 2.442 ( 0.730 0.519 1.441) 1.697 2.509 ( 3.480 -8.449 -3.860) 9.920 2.520 ( 1.732 -1.243 -4.784) 5.237 2.723 ( 3.398 -0.157 -1.038) 3.557 2.738 ( 0.613 -1.868 0.419) 2.010 2.913 ( -2.298 1.345 -2.180) 3.441 2.990 ( -0.895 2.922 1.044) 3.230 3.151 ( -2.092 -1.659 -1.111) 2.892 3.284 ( 1.264 -1.839 -1.322) 2.594 3.489 ( -8.504 11.934 9.183) 17.294 3.609 ( -0.312 5.961 3.523) 6.931 3.665 ( 2.150 8.337 -3.248) 9.202 3.896 ( 4.378 5.286 -4.466) 8.188 4.236 ( 0.274 4.527 3.497) 5.727 4.280 ( 0.098 1.638 -1.664) 2.337 4.457 ( -3.271 0.539 3.248) 4.641 4.466 ( -2.780 -1.230 0.727) 3.126 4.555 ( 2.511 0.148 0.683) 2.607 4.594 ( -1.553 2.049 -2.677) 3.712 4.626 ( 0.731 0.656 0.046) 0.984 4.676 ( 3.197 0.600 -2.696) 4.225 4.771 ( 0.374 1.660 1.485) 2.258 4.877 ( 2.559 -0.063 -2.979) 3.928 5.002 ( -1.764 0.498 2.183) 2.850 5.077 ( 0.198 -0.767 0.144) 0.806 5.136 ( -1.452 0.542 -1.473) 2.138 5.166 ( 1.584 -2.004 -0.309) 2.573 5.270 ( -0.357 1.240 3.894) 4.102 5.324 ( -0.610 -0.119 -1.091) 1.255 5.426 ( -0.542 -1.015 -2.257) 2.533 5.455 ( 0.982 -2.321 0.051) 2.521 5.587 ( -0.272 -5.389 3.363) 6.358 5.611 ( 2.129 -2.501 -0.273) 3.296 5.690 ( -1.237 0.516 -1.351) 1.903 5.747 ( -0.874 0.243 0.855) 1.247 5.769 ( 0.820 0.403 -0.647) 1.120 5.939 ( 2.549 -2.896 -3.800) 5.415 ======================= Grid point 197 (107/116) ======================= q-point: (-0.25 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -1.489 9.537 6.991) 11.918 1.530 ( -0.809 7.439 5.321) 9.182 1.606 ( -0.988 4.815 1.268) 5.077 1.732 ( -2.906 0.474 -3.870) 4.863 1.981 ( -0.745 -3.955 5.322) 6.672 1.999 ( 2.606 -5.847 1.786) 6.646 2.060 ( 0.341 -6.391 -0.797) 6.449 2.178 ( 2.407 -1.419 2.159) 3.531 2.264 ( 0.251 -5.284 0.542) 5.318 2.323 ( 1.133 0.632 -2.131) 2.495 2.353 ( 2.048 -4.483 -1.638) 5.194 2.453 ( 0.114 0.312 -0.108) 0.350 2.501 ( -3.032 -4.866 1.913) 6.044 2.549 ( 2.771 -0.821 -6.281) 6.914 2.750 ( 1.659 0.599 2.100) 2.743 2.854 ( 1.945 -0.870 -1.776) 2.774 2.904 ( 8.142 -4.205 -3.273) 9.731 2.968 ( -0.157 0.518 0.330) 0.634 3.104 ( -2.967 0.656 -0.566) 3.091 3.274 ( -2.094 -0.444 -1.694) 2.730 3.331 ( -9.132 11.839 8.889) 17.395 3.599 ( -1.030 3.332 -1.962) 4.002 3.723 ( 3.084 7.783 1.444) 8.496 3.935 ( 0.372 3.842 -4.026) 5.578 4.237 ( -0.537 5.228 1.044) 5.358 4.298 ( 1.291 1.054 0.632) 1.782 4.372 ( -4.388 -0.368 1.871) 4.785 4.438 ( -1.249 0.547 0.574) 1.480 4.550 ( -1.296 0.458 -1.261) 1.865 4.619 ( 2.091 -1.953 2.469) 3.779 4.631 ( 0.485 -0.723 -0.701) 1.118 4.725 ( 2.610 -0.243 -1.264) 2.910 4.804 ( 2.130 2.842 0.793) 3.639 4.906 ( 0.368 4.532 -3.183) 5.551 4.996 ( 1.677 -0.900 1.766) 2.597 5.074 ( -0.098 0.051 -0.136) 0.176 5.106 ( -1.063 0.181 -1.056) 1.509 5.193 ( 0.783 -0.861 -1.099) 1.601 5.256 ( -1.958 1.589 1.028) 2.723 5.303 ( -0.845 -1.509 -1.733) 2.448 5.417 ( 1.043 -3.516 -2.013) 4.184 5.474 ( -0.385 -2.302 2.096) 3.137 5.550 ( -3.836 -4.099 3.183) 6.453 5.626 ( -1.521 -2.748 -0.973) 3.288 5.705 ( 3.568 0.994 0.724) 3.774 5.755 ( 2.300 -0.693 -0.215) 2.412 5.815 ( 3.071 2.588 -0.303) 4.027 5.966 ( 1.201 -2.039 -2.998) 3.819 ======================= Grid point 198 (108/116) ======================= q-point: (-0.12 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.396 10.804 10.798) 15.462 1.486 ( -4.554 6.654 12.543) 14.911 1.629 ( 2.399 6.138 -7.231) 9.784 1.691 ( 0.273 1.853 -8.804) 9.001 1.992 ( 0.725 -1.600 3.555) 3.965 2.050 ( 0.629 -4.722 -0.288) 4.773 2.064 ( 2.430 -7.365 3.085) 8.347 2.201 ( -0.343 -4.492 2.564) 5.184 2.269 ( -0.111 -3.115 1.691) 3.546 2.347 ( 1.578 0.332 -2.877) 3.298 2.366 ( -0.772 -5.137 -2.123) 5.612 2.435 ( -1.551 -2.092 -2.216) 3.420 2.464 ( -0.852 -0.228 5.173) 5.248 2.587 ( 2.372 -1.107 -6.931) 7.409 2.782 ( 1.597 5.164 4.092) 6.780 2.869 ( 1.310 0.167 0.369) 1.371 2.962 ( 1.596 -0.620 -2.286) 2.856 3.006 ( -4.170 -0.233 -1.691) 4.506 3.133 ( -1.236 5.607 3.706) 6.834 3.176 ( 2.630 2.340 2.823) 4.512 3.283 ( 2.562 -1.782 -2.044) 3.730 3.556 ( -3.382 -0.987 -2.606) 4.382 3.753 ( -1.603 5.463 6.416) 8.578 3.901 ( -1.720 2.572 -5.548) 6.352 4.223 ( -0.727 3.180 0.155) 3.266 4.286 ( -1.847 4.352 -0.509) 4.755 4.349 ( -0.276 -0.552 5.147) 5.184 4.424 ( 0.394 0.311 -2.679) 2.725 4.543 ( 0.752 0.727 0.418) 1.126 4.634 ( -0.370 -0.905 -0.866) 1.306 4.656 ( 1.241 -2.999 3.179) 4.543 4.763 ( 1.632 -2.229 -2.101) 3.471 4.841 ( 1.549 3.556 0.280) 3.889 4.882 ( -1.386 5.741 -1.384) 6.066 5.057 ( 3.132 2.518 0.984) 4.138 5.081 ( 0.788 -0.240 -0.074) 0.827 5.095 ( 0.059 0.097 -0.616) 0.626 5.175 ( -2.217 -1.569 -0.818) 2.837 5.211 ( -2.098 1.637 -0.588) 2.726 5.298 ( 0.312 -1.112 -3.243) 3.442 5.439 ( -3.087 -4.700 3.757) 6.763 5.444 ( 1.187 -4.211 0.459) 4.399 5.512 ( 0.347 -3.760 -1.205) 3.964 5.585 ( -2.252 -2.785 -1.444) 3.862 5.773 ( 2.705 1.324 1.352) 3.302 5.804 ( 2.461 0.438 -0.743) 2.608 5.871 ( 2.655 2.671 0.677) 3.826 5.971 ( -0.031 -0.598 -2.409) 2.482 ======================= Grid point 199 (109/116) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 0.471 8.595 7.356) 11.322 1.646 ( 0.923 9.409 4.486) 10.464 1.721 ( 1.362 -1.517 -4.172) 4.644 1.735 ( 0.835 2.739 -5.257) 5.986 1.948 ( 0.970 -3.588 1.554) 4.028 1.960 ( 1.601 -6.338 2.669) 7.061 2.033 ( 1.442 -1.043 1.315) 2.213 2.073 ( -2.054 -4.416 -1.906) 5.230 2.203 ( -0.917 -0.867 0.479) 1.350 2.245 ( 0.382 -4.859 -3.644) 6.086 2.386 ( -0.079 1.734 0.018) 1.736 2.407 ( 1.020 -0.399 -1.670) 1.997 2.495 ( -0.766 2.117 0.541) 2.315 2.543 ( -0.763 -2.706 -3.950) 4.849 2.902 ( 0.289 1.193 -0.016) 1.228 2.920 ( -2.288 -0.262 -1.531) 2.766 2.976 ( 1.830 3.119 1.169) 3.801 2.993 ( -0.855 0.281 -0.093) 0.905 3.166 ( -5.842 4.379 5.695) 9.260 3.210 ( -1.977 -0.258 1.043) 2.250 3.383 ( 8.649 -1.129 0.263) 8.726 3.397 ( -1.237 -1.820 -0.394) 2.235 3.792 ( -2.303 3.864 6.899) 8.236 3.860 ( -0.733 -3.024 0.866) 3.230 4.304 ( 1.769 2.884 1.098) 3.557 4.316 ( -1.624 1.840 -0.064) 2.455 4.396 ( -0.101 2.917 0.088) 2.920 4.426 ( 0.733 -0.540 -1.970) 2.170 4.569 ( -0.642 0.049 3.038) 3.105 4.586 ( -1.650 -1.810 0.060) 2.450 4.630 ( 1.623 0.085 -1.159) 1.996 4.690 ( 1.316 -4.894 -4.845) 7.012 4.960 ( -0.039 3.666 -0.152) 3.670 4.963 ( 0.761 4.072 -0.307) 4.154 5.050 ( -1.739 -1.545 2.951) 3.758 5.067 ( -0.414 -2.056 3.408) 4.001 5.141 ( -1.617 3.960 1.081) 4.412 5.196 ( -0.310 3.852 -0.917) 3.972 5.226 ( -0.292 0.824 1.056) 1.371 5.266 ( -0.505 -7.945 3.362) 8.642 5.289 ( 0.156 0.727 -4.460) 4.521 5.342 ( 0.462 -5.001 -2.066) 5.431 5.509 ( 1.305 -0.851 -3.837) 4.141 5.516 ( 2.419 -1.327 -4.300) 5.109 5.827 ( -0.022 1.026 0.788) 1.294 5.837 ( 0.120 -0.102 -0.214) 0.265 5.944 ( 0.247 1.476 0.289) 1.524 5.960 ( -0.499 -0.136 -1.313) 1.411 ======================= Grid point 200 (110/116) ======================= q-point: ( 0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -1.564 9.575 3.806) 10.422 1.658 ( 0.489 8.823 2.683) 9.235 1.714 ( 0.192 2.624 -3.445) 4.335 1.763 ( 1.780 -3.290 -6.366) 7.383 1.963 ( 0.403 -3.274 0.076) 3.300 1.976 ( 0.747 -5.373 -1.834) 5.726 2.029 ( -0.721 0.306 -2.527) 2.645 2.086 ( 2.022 -4.685 3.219) 6.034 2.186 ( -1.120 0.247 0.974) 1.505 2.261 ( 1.703 -6.311 -1.670) 6.747 2.363 ( -1.913 3.139 0.420) 3.700 2.407 ( -0.595 -1.204 -3.382) 3.639 2.479 ( -1.694 1.385 1.645) 2.737 2.521 ( -1.159 -2.873 -1.947) 3.659 2.860 ( -2.539 1.432 0.009) 2.915 2.871 ( -2.807 0.713 1.228) 3.146 2.895 ( -7.028 -0.275 0.260) 7.038 2.951 ( -6.471 -2.730 0.890) 7.080 3.135 ( -1.664 0.834 3.378) 3.857 3.147 ( 1.206 -0.398 4.525) 4.699 3.505 ( 9.447 6.053 -2.925) 11.595 3.550 ( 7.966 1.802 -0.339) 8.174 3.799 ( 0.771 3.316 7.659) 8.382 3.871 ( 0.806 -4.016 2.989) 5.071 4.281 ( -1.331 2.794 -0.920) 3.229 4.311 ( -1.189 0.221 1.048) 1.600 4.411 ( 1.707 4.017 -0.413) 4.384 4.454 ( 2.207 -0.284 -0.651) 2.319 4.554 ( -1.697 -2.114 2.687) 3.817 4.565 ( 0.406 -0.092 -0.526) 0.671 4.649 ( 0.454 -0.739 -1.327) 1.586 4.687 ( -0.391 -3.331 -5.281) 6.256 4.950 ( -1.613 2.955 0.158) 3.370 4.970 ( 0.327 3.663 -0.652) 3.735 5.007 ( -3.094 -0.630 2.495) 4.024 5.048 ( -1.953 -1.471 4.875) 5.454 5.115 ( -1.738 3.370 -0.034) 3.792 5.202 ( 0.441 0.873 2.161) 2.372 5.213 ( -0.669 0.069 -1.297) 1.461 5.267 ( 0.129 -4.380 2.694) 5.143 5.314 ( 2.885 -1.241 -2.132) 3.796 5.359 ( 1.919 -3.935 -0.875) 4.465 5.543 ( 3.476 0.668 -5.508) 6.548 5.573 ( 3.717 -2.105 -5.018) 6.590 5.802 ( -2.552 0.801 0.327) 2.695 5.811 ( -2.735 -0.065 -0.675) 2.818 5.926 ( -2.619 0.716 -0.545) 2.769 5.930 ( -1.870 0.257 0.427) 1.935 ======================= Grid point 201 (111/116) ======================= q-point: ( 0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -3.110 10.650 1.075) 11.146 1.678 ( -0.999 3.438 2.102) 4.151 1.713 ( 0.993 2.469 -2.626) 3.738 1.756 ( -0.904 -5.518 -3.441) 6.565 1.974 ( 0.640 -0.824 -0.572) 1.190 1.997 ( 2.222 -1.656 -7.298) 7.806 2.019 ( 0.486 1.283 -3.521) 3.779 2.115 ( 0.315 -6.172 1.836) 6.447 2.156 ( -2.877 2.014 3.353) 4.855 2.281 ( -0.477 -7.277 0.965) 7.356 2.330 ( -1.703 1.806 0.906) 2.643 2.383 ( -0.158 -1.932 -5.166) 5.517 2.439 ( -2.344 0.480 1.922) 3.069 2.467 ( -4.482 -3.001 1.868) 5.709 2.764 ( -4.933 0.867 1.009) 5.109 2.793 ( -5.441 -1.796 0.275) 5.737 2.858 ( 2.412 1.740 0.002) 2.975 2.912 ( 3.204 -3.221 0.719) 4.599 3.141 ( 0.228 2.569 1.328) 2.901 3.184 ( 1.366 -1.940 2.823) 3.688 3.643 ( 4.398 8.989 4.204) 10.855 3.696 ( 7.947 4.519 -4.191) 10.056 3.819 ( -0.638 2.750 4.648) 5.438 3.875 ( -1.781 -3.519 4.881) 6.275 4.276 ( 0.777 1.651 1.348) 2.269 4.288 ( -1.039 0.607 0.808) 1.449 4.446 ( 2.444 2.387 -1.656) 3.797 4.500 ( 2.108 -0.064 -0.262) 2.125 4.535 ( -1.168 -1.094 2.250) 2.761 4.578 ( 0.673 0.615 -2.513) 2.673 4.645 ( -0.133 -1.916 -1.692) 2.559 4.665 ( -0.015 -2.634 -3.336) 4.251 4.894 ( -4.186 2.674 1.868) 5.306 4.945 ( -2.872 -0.727 -2.722) 4.024 4.986 ( 0.494 4.822 2.486) 5.447 5.044 ( 0.869 -1.227 3.272) 3.600 5.081 ( -1.505 0.802 0.842) 1.902 5.163 ( -3.188 -3.914 -0.321) 5.058 5.250 ( 2.746 1.986 2.797) 4.394 5.284 ( 0.997 -1.096 2.508) 2.914 5.364 ( 2.445 -0.145 -2.378) 3.413 5.402 ( 2.180 -3.818 0.123) 4.399 5.587 ( 1.355 0.930 -4.227) 4.536 5.620 ( 2.181 -2.457 -5.196) 6.147 5.739 ( -3.316 0.806 -0.961) 3.546 5.755 ( -1.956 -0.896 -1.797) 2.803 5.864 ( -3.478 1.512 -0.400) 3.814 5.889 ( -2.637 -1.102 1.167) 3.087 ======================= Grid point 202 (112/116) ======================= q-point: ( 0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 1.139 7.309 1.543) 7.557 1.639 ( -2.639 -1.105 2.512) 3.808 1.715 ( -1.748 1.937 -1.177) 2.862 1.730 ( -0.596 -2.359 -3.042) 3.895 1.937 ( -3.646 4.183 1.919) 5.872 2.015 ( 0.461 0.408 -5.550) 5.584 2.047 ( 2.317 -4.543 -6.371) 8.161 2.068 ( -5.835 -5.826 3.395) 8.918 2.138 ( 1.404 0.580 0.446) 1.583 2.227 ( -4.119 -7.226 0.062) 8.318 2.308 ( -0.219 2.254 0.646) 2.355 2.366 ( -1.285 -3.562 -2.279) 4.420 2.424 ( 0.573 0.378 0.875) 1.112 2.436 ( 1.207 -1.045 1.815) 2.418 2.719 ( -0.374 0.673 -0.046) 0.772 2.733 ( -1.646 -0.525 0.312) 1.756 2.938 ( 5.378 3.172 -0.044) 6.244 3.006 ( 5.791 -3.395 0.824) 6.763 3.133 ( -1.201 3.169 -0.186) 3.394 3.200 ( -0.421 -3.279 0.909) 3.428 3.692 ( -0.238 9.146 7.168) 11.623 3.798 ( 2.399 1.063 -3.039) 4.015 3.804 ( -0.886 4.034 1.008) 4.251 3.836 ( -1.903 -0.502 3.758) 4.242 4.287 ( 0.792 3.155 1.676) 3.660 4.309 ( 1.727 1.148 3.288) 3.888 4.467 ( -0.858 -0.303 -2.008) 2.204 4.517 ( -1.513 -3.396 1.218) 3.912 4.534 ( 3.143 2.419 -1.933) 4.412 4.571 ( -0.432 0.109 -1.426) 1.494 4.656 ( 1.536 -0.802 -2.135) 2.750 4.676 ( 0.979 -1.012 -1.415) 1.996 4.826 ( -3.010 2.812 1.726) 4.466 4.883 ( -2.914 -0.267 -2.567) 3.892 5.000 ( 0.541 3.630 1.570) 3.992 5.070 ( -1.459 -1.611 2.087) 3.013 5.085 ( 2.079 -0.806 2.494) 3.345 5.114 ( 0.088 -3.267 -0.104) 3.270 5.295 ( 0.316 2.014 3.986) 4.477 5.322 ( 2.768 0.038 2.014) 3.424 5.381 ( -0.185 0.900 -2.410) 2.579 5.427 ( 0.399 -4.431 0.426) 4.470 5.556 ( -2.888 1.041 -3.182) 4.421 5.599 ( -2.769 -3.232 -4.186) 5.969 5.722 ( 1.541 1.568 -2.215) 3.121 5.759 ( 2.430 -1.976 -2.456) 3.980 5.805 ( -2.411 1.595 -0.847) 3.013 5.840 ( -2.904 -1.852 1.083) 3.611 ======================= Grid point 203 (113/116) ======================= q-point: (-0.50 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -1.952 2.713 4.066) 5.264 1.614 ( 2.770 -2.292 1.815) 4.028 1.672 ( -0.970 5.018 -1.200) 5.250 1.701 ( -1.720 0.792 -2.356) 3.023 1.900 ( -1.177 -0.296 5.581) 5.712 1.949 ( -6.315 -2.993 7.061) 9.935 1.985 ( -2.044 -1.466 -2.633) 3.641 2.062 ( 0.319 -7.636 -1.950) 7.887 2.167 ( 1.720 1.792 -2.911) 3.826 2.224 ( 4.291 -3.831 -6.796) 8.904 2.316 ( 0.631 0.026 0.694) 0.938 2.341 ( -0.895 -2.071 -1.690) 2.819 2.450 ( 1.684 1.037 0.058) 1.978 2.470 ( 1.929 -1.266 -1.278) 2.637 2.713 ( -0.763 0.640 0.725) 1.232 2.725 ( 0.498 -0.415 -0.397) 0.760 3.025 ( 1.859 4.357 1.019) 4.845 3.061 ( -1.216 3.289 -1.869) 3.974 3.134 ( 1.471 -2.959 1.276) 3.542 3.173 ( -0.434 -4.349 -2.008) 4.810 3.689 ( -1.312 6.481 7.033) 9.654 3.766 ( -3.715 -0.588 6.893) 7.852 3.790 ( 0.505 7.245 -2.098) 7.560 3.873 ( 3.281 -0.554 -2.961) 4.454 4.314 ( 0.849 5.176 2.241) 5.704 4.336 ( 0.540 3.038 1.111) 3.279 4.443 ( -0.862 -1.392 2.463) 2.957 4.477 ( -2.660 -3.844 -0.154) 4.677 4.562 ( -0.446 1.112 -0.885) 1.490 4.589 ( 2.326 -1.479 -3.880) 4.759 4.671 ( 0.374 1.083 -1.151) 1.624 4.679 ( -0.224 1.013 -1.981) 2.237 4.798 ( -0.645 2.300 2.660) 3.575 4.839 ( -0.743 -0.654 -0.943) 1.367 5.026 ( -1.569 -1.193 0.491) 2.031 5.029 ( 2.223 -1.002 0.584) 2.507 5.126 ( 1.187 1.170 1.576) 2.294 5.152 ( 1.663 -0.654 -0.439) 1.840 5.293 ( -0.791 2.147 3.739) 4.383 5.337 ( -1.559 -1.594 0.202) 2.238 5.391 ( 2.044 0.838 1.859) 2.887 5.430 ( -0.553 -3.434 0.425) 3.505 5.508 ( -0.639 -0.002 -3.065) 3.131 5.544 ( -1.208 -3.234 -4.049) 5.321 5.748 ( -2.278 1.731 -0.511) 2.907 5.758 ( 2.211 2.375 -1.338) 3.510 5.786 ( -2.735 -1.401 0.421) 3.102 5.824 ( 3.396 -3.393 -3.063) 5.695 ======================= Grid point 204 (114/116) ======================= q-point: (-0.38 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( -3.010 7.093 3.432) 8.435 1.624 ( -2.113 -1.712 4.828) 5.541 1.686 ( 1.004 3.475 -0.294) 3.630 1.742 ( 5.418 -2.675 -3.118) 6.799 1.859 ( -4.395 -0.873 9.641) 10.632 1.896 ( -1.977 -3.571 5.543) 6.884 1.974 ( 1.696 1.371 -1.081) 2.434 2.086 ( 2.613 -7.751 0.330) 8.186 2.198 ( 1.962 3.981 -4.172) 6.092 2.289 ( 3.030 -1.824 -3.450) 4.941 2.319 ( -0.551 -0.965 -0.477) 1.209 2.337 ( 1.394 -6.126 -3.109) 7.010 2.480 ( 1.850 1.624 -2.024) 3.187 2.502 ( 2.205 -0.832 -3.694) 4.382 2.716 ( 1.521 0.677 -0.117) 1.669 2.733 ( 1.008 -0.565 -0.149) 1.165 2.959 ( -4.939 3.369 -1.763) 6.233 3.019 ( -4.900 -1.525 -0.365) 5.145 3.138 ( 1.371 2.154 -0.830) 2.684 3.215 ( 1.918 -4.653 -0.644) 5.074 3.667 ( -3.796 6.013 7.515) 10.346 3.708 ( -3.781 2.266 5.929) 7.388 3.821 ( 2.715 7.906 -0.789) 8.396 3.928 ( 2.880 -2.147 -2.423) 4.333 4.305 ( -1.172 2.928 -0.156) 3.157 4.345 ( -0.826 2.216 0.052) 2.366 4.424 ( -2.241 -1.194 1.379) 2.889 4.446 ( -0.341 -1.275 5.617) 5.770 4.550 ( -0.185 1.060 -1.700) 2.011 4.597 ( 0.251 -2.057 -3.944) 4.455 4.646 ( -2.197 1.698 -1.250) 3.045 4.680 ( -0.035 -1.260 -1.582) 2.023 4.819 ( 2.447 2.402 2.533) 4.263 4.858 ( 2.670 -1.580 0.097) 3.104 5.018 ( 0.711 2.695 -0.401) 2.816 5.093 ( 3.760 -2.468 -0.051) 4.498 5.119 ( -1.579 1.038 -0.618) 1.988 5.147 ( -1.089 -0.052 -2.859) 3.060 5.290 ( -1.101 1.197 4.353) 4.647 5.325 ( -0.212 -0.915 1.959) 2.173 5.389 ( -3.067 -0.935 -1.837) 3.695 5.416 ( 0.017 -2.402 1.408) 2.784 5.526 ( 2.044 -0.228 -0.674) 2.165 5.557 ( 2.664 -2.710 -1.950) 4.271 5.707 ( -1.451 1.140 -0.750) 1.992 5.730 ( -1.942 -1.231 0.085) 2.300 5.812 ( 3.040 3.200 -1.181) 4.569 5.877 ( 2.903 -3.450 -2.452) 5.133 ======================= Grid point 205 (115/116) ======================= q-point: (-0.25 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 197 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.671 9.199 5.934) 10.968 1.613 ( -0.367 -0.511 5.983) 6.016 1.712 ( 0.884 5.661 -0.265) 5.736 1.750 ( -2.012 1.553 -1.290) 2.851 1.870 ( 2.029 -6.360 3.560) 7.566 1.877 ( -0.159 -6.688 6.402) 9.260 2.013 ( 1.706 3.340 -0.909) 3.859 2.129 ( 0.961 -7.420 -0.552) 7.503 2.210 ( 0.254 4.503 -1.074) 4.636 2.306 ( -1.036 -1.903 -0.062) 2.168 2.326 ( 1.752 -0.273 -1.559) 2.361 2.352 ( 1.330 -6.404 -3.711) 7.521 2.512 ( 1.501 2.170 -1.643) 3.108 2.538 ( 2.549 -0.668 -4.832) 5.504 2.767 ( 4.188 1.605 0.421) 4.505 2.815 ( 8.386 -3.061 -2.666) 9.317 2.881 ( -2.453 1.807 -1.492) 3.392 2.936 ( -2.813 -3.173 -1.574) 4.523 3.151 ( 0.028 3.764 -0.093) 3.766 3.225 ( -0.250 -3.680 -1.151) 3.864 3.558 ( -9.221 9.526 8.526) 15.763 3.645 ( -5.083 0.117 3.929) 6.426 3.861 ( 0.679 6.233 1.609) 6.473 3.949 ( -0.627 -2.366 -1.522) 2.882 4.287 ( -1.638 0.123 -0.544) 1.730 4.303 ( -0.935 -1.236 -0.166) 1.558 4.414 ( -0.271 4.835 2.059) 5.261 4.450 ( -0.410 0.444 4.352) 4.394 4.554 ( 0.774 0.154 -1.648) 1.827 4.597 ( -0.650 -1.998 -1.645) 2.668 4.605 ( -0.098 1.035 -1.510) 1.834 4.670 ( -0.329 -4.450 -1.746) 4.792 4.880 ( 3.103 3.477 2.066) 5.098 4.933 ( 4.779 -2.308 -0.322) 5.317 5.019 ( -1.087 4.651 -1.102) 4.902 5.089 ( -1.314 -1.383 -1.714) 2.564 5.122 ( 1.484 2.656 -1.160) 3.256 5.175 ( 3.463 -1.562 -1.903) 4.249 5.265 ( -2.228 0.381 3.905) 4.512 5.315 ( -1.626 -0.490 1.552) 2.301 5.327 ( -2.779 -1.116 -1.478) 3.339 5.402 ( -1.573 -4.925 -0.650) 5.210 5.532 ( -1.763 1.500 -0.004) 2.314 5.574 ( -1.195 -2.652 -0.908) 3.047 5.725 ( 3.571 1.008 0.081) 3.711 5.741 ( 3.201 -0.740 -0.480) 3.320 5.868 ( 3.070 2.876 -0.729) 4.269 5.921 ( 2.307 -2.607 -1.852) 3.943 ======================= Grid point 206 (116/116) ======================= q-point: (-0.12 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 2.056 9.046 8.205) 12.384 1.622 ( -0.151 5.653 5.977) 8.228 1.701 ( 0.183 0.703 -1.455) 1.626 1.743 ( 0.407 3.308 -4.182) 5.347 1.902 ( 2.305 -6.974 5.951) 9.454 1.922 ( 1.641 -5.966 2.062) 6.522 2.024 ( 0.071 2.663 -1.162) 2.907 2.113 ( -1.769 -5.523 -0.861) 5.863 2.213 ( -0.038 0.084 -0.484) 0.493 2.267 ( -1.956 -4.554 -2.016) 5.351 2.364 ( 2.140 0.673 -1.111) 2.504 2.382 ( 2.051 -1.606 -1.720) 3.122 2.513 ( -0.916 2.925 -0.135) 3.068 2.559 ( 0.458 -1.885 -4.563) 4.958 2.867 ( 2.868 2.771 0.309) 4.000 2.887 ( 5.587 2.823 -0.198) 6.262 2.919 ( 1.443 -2.388 -2.259) 3.590 2.972 ( 5.552 -3.639 -2.645) 7.146 3.166 ( 3.375 1.994 -0.053) 3.920 3.213 ( -0.218 -2.448 -1.336) 2.797 3.385 ( -10.020 10.394 8.031) 16.521 3.525 ( -8.325 -3.663 3.029) 9.586 3.841 ( -3.263 3.764 4.513) 6.722 3.902 ( -3.299 -2.323 -0.490) 4.065 4.270 ( 0.852 2.626 0.005) 2.760 4.317 ( 1.157 -1.605 0.553) 2.054 4.405 ( -0.953 4.901 0.611) 5.030 4.441 ( -1.247 0.631 0.668) 1.549 4.563 ( 0.620 1.589 -0.187) 1.716 4.597 ( 0.836 -1.460 0.334) 1.715 4.611 ( 0.172 -1.173 -0.739) 1.397 4.671 ( 1.185 -5.824 -3.328) 6.812 4.935 ( 2.138 4.594 1.154) 5.197 4.973 ( -1.029 2.831 -1.095) 3.205 5.029 ( 2.928 -1.297 1.602) 3.580 5.068 ( -0.568 -2.849 0.042) 2.905 5.166 ( 1.440 5.021 0.939) 5.307 5.191 ( -0.683 3.247 -1.673) 3.716 5.247 ( -1.499 0.407 1.487) 2.150 5.276 ( -0.539 -0.474 -2.896) 2.984 5.294 ( -1.028 -5.759 2.109) 6.219 5.363 ( -1.897 -5.784 -2.247) 6.488 5.496 ( -0.730 1.355 -1.913) 2.455 5.535 ( -2.004 -2.484 -1.526) 3.538 5.796 ( 3.032 0.979 0.638) 3.250 5.808 ( 3.022 -0.184 -0.300) 3.043 5.919 ( 2.277 2.254 -0.231) 3.212 5.953 ( 1.402 -1.322 -1.449) 2.411 =================== 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 3/18816 10.0 535.096 565.650 402.433 0.000 35.499 0.000 3/18816 20.0 65.643 96.562 62.366 0.000 2.965 0.000 3/18816 30.0 24.360 39.573 24.958 0.000 0.754 0.000 3/18816 40.0 13.427 22.306 14.162 0.000 0.319 0.000 3/18816 50.0 8.936 14.915 9.578 0.000 0.160 0.000 3/18816 60.0 6.624 11.067 7.180 0.000 0.087 0.000 3/18816 70.0 5.254 8.778 5.741 0.000 0.048 0.000 3/18816 80.0 4.357 7.280 4.791 0.000 0.026 0.000 3/18816 90.0 3.728 6.229 4.120 0.000 0.013 0.000 3/18816 100.0 3.262 5.452 3.620 0.000 0.004 0.000 3/18816 110.0 2.904 4.854 3.233 0.000 -0.001 0.000 3/18816 120.0 2.620 4.378 2.924 0.000 -0.004 0.000 3/18816 130.0 2.388 3.991 2.671 0.000 -0.007 0.000 3/18816 140.0 2.195 3.670 2.460 0.000 -0.008 0.000 3/18816 150.0 2.033 3.398 2.281 0.000 -0.009 0.000 3/18816 160.0 1.893 3.165 2.127 0.000 -0.010 0.000 3/18816 170.0 1.772 2.963 1.993 0.000 -0.010 0.000 3/18816 180.0 1.666 2.786 1.876 0.000 -0.011 0.000 3/18816 190.0 1.572 2.629 1.772 0.000 -0.011 0.000 3/18816 200.0 1.489 2.490 1.679 0.000 -0.011 0.000 3/18816 210.0 1.414 2.365 1.596 0.000 -0.011 0.000 3/18816 220.0 1.347 2.252 1.520 0.000 -0.010 0.000 3/18816 230.0 1.285 2.150 1.452 0.000 -0.010 0.000 3/18816 240.0 1.230 2.056 1.389 0.000 -0.010 0.000 3/18816 250.0 1.179 1.971 1.332 0.000 -0.010 0.000 3/18816 260.0 1.132 1.893 1.280 0.000 -0.010 0.000 3/18816 270.0 1.088 1.820 1.231 0.000 -0.010 0.000 3/18816 280.0 1.048 1.753 1.186 0.000 -0.009 0.000 3/18816 290.0 1.011 1.691 1.144 0.000 -0.009 0.000 3/18816 300.0 0.977 1.634 1.106 0.000 -0.009 0.000 3/18816 310.0 0.945 1.580 1.069 0.000 -0.009 0.000 3/18816 320.0 0.914 1.529 1.035 0.000 -0.009 0.000 3/18816 330.0 0.886 1.482 1.004 0.000 -0.009 0.000 3/18816 340.0 0.860 1.438 0.974 0.000 -0.008 0.000 3/18816 350.0 0.835 1.396 0.945 0.000 -0.008 0.000 3/18816 360.0 0.811 1.356 0.919 0.000 -0.008 0.000 3/18816 370.0 0.789 1.319 0.894 0.000 -0.008 0.000 3/18816 380.0 0.768 1.284 0.870 0.000 -0.008 0.000 3/18816 390.0 0.748 1.251 0.847 0.000 -0.008 0.000 3/18816 400.0 0.729 1.219 0.826 0.000 -0.007 0.000 3/18816 410.0 0.711 1.189 0.806 0.000 -0.007 0.000 3/18816 420.0 0.694 1.160 0.786 0.000 -0.007 0.000 3/18816 430.0 0.677 1.133 0.768 0.000 -0.007 0.000 3/18816 440.0 0.662 1.107 0.750 0.000 -0.007 0.000 3/18816 450.0 0.647 1.082 0.734 0.000 -0.007 0.000 3/18816 460.0 0.633 1.058 0.718 0.000 -0.007 0.000 3/18816 470.0 0.619 1.036 0.702 0.000 -0.006 0.000 3/18816 480.0 0.606 1.014 0.688 0.000 -0.006 0.000 3/18816 490.0 0.594 0.993 0.673 0.000 -0.006 0.000 3/18816 500.0 0.582 0.973 0.660 0.000 -0.006 0.000 3/18816 510.0 0.570 0.954 0.647 0.000 -0.006 0.000 3/18816 520.0 0.559 0.935 0.634 0.000 -0.006 0.000 3/18816 530.0 0.549 0.918 0.622 0.000 -0.006 0.000 3/18816 540.0 0.538 0.901 0.611 0.000 -0.006 0.000 3/18816 550.0 0.529 0.884 0.600 0.000 -0.006 0.000 3/18816 560.0 0.519 0.868 0.589 0.000 -0.006 0.000 3/18816 570.0 0.510 0.853 0.579 0.000 -0.005 0.000 3/18816 580.0 0.501 0.838 0.569 0.000 -0.005 0.000 3/18816 590.0 0.493 0.824 0.559 0.000 -0.005 0.000 3/18816 600.0 0.484 0.810 0.550 0.000 -0.005 0.000 3/18816 610.0 0.476 0.797 0.540 0.000 -0.005 0.000 3/18816 620.0 0.469 0.784 0.532 0.000 -0.005 0.000 3/18816 630.0 0.461 0.771 0.523 0.000 -0.005 0.000 3/18816 640.0 0.454 0.759 0.515 0.000 -0.005 0.000 3/18816 650.0 0.447 0.747 0.507 0.000 -0.005 0.000 3/18816 660.0 0.440 0.736 0.499 0.000 -0.005 0.000 3/18816 670.0 0.433 0.725 0.492 0.000 -0.005 0.000 3/18816 680.0 0.427 0.714 0.485 0.000 -0.005 0.000 3/18816 690.0 0.421 0.704 0.478 0.000 -0.005 0.000 3/18816 700.0 0.415 0.694 0.471 0.000 -0.005 0.000 3/18816 710.0 0.409 0.684 0.464 0.000 -0.004 0.000 3/18816 720.0 0.403 0.675 0.458 0.000 -0.004 0.000 3/18816 730.0 0.398 0.665 0.451 0.000 -0.004 0.000 3/18816 740.0 0.392 0.656 0.445 0.000 -0.004 0.000 3/18816 750.0 0.387 0.648 0.439 0.000 -0.004 0.000 3/18816 760.0 0.382 0.639 0.434 0.000 -0.004 0.000 3/18816 770.0 0.377 0.631 0.428 0.000 -0.004 0.000 3/18816 780.0 0.372 0.623 0.423 0.000 -0.004 0.000 3/18816 790.0 0.367 0.615 0.417 0.000 -0.004 0.000 3/18816 800.0 0.363 0.607 0.412 0.000 -0.004 0.000 3/18816 810.0 0.358 0.599 0.407 0.000 -0.004 0.000 3/18816 820.0 0.354 0.592 0.402 0.000 -0.004 0.000 3/18816 830.0 0.350 0.585 0.397 0.000 -0.004 0.000 3/18816 840.0 0.346 0.578 0.392 0.000 -0.004 0.000 3/18816 850.0 0.341 0.571 0.388 0.000 -0.004 0.000 3/18816 860.0 0.338 0.565 0.383 0.000 -0.004 0.000 3/18816 870.0 0.334 0.558 0.379 0.000 -0.004 0.000 3/18816 880.0 0.330 0.552 0.374 0.000 -0.004 0.000 3/18816 890.0 0.326 0.545 0.370 0.000 -0.004 0.000 3/18816 900.0 0.322 0.539 0.366 0.000 -0.004 0.000 3/18816 910.0 0.319 0.533 0.362 0.000 -0.004 0.000 3/18816 920.0 0.315 0.528 0.358 0.000 -0.004 0.000 3/18816 930.0 0.312 0.522 0.354 0.000 -0.003 0.000 3/18816 940.0 0.309 0.516 0.351 0.000 -0.003 0.000 3/18816 950.0 0.305 0.511 0.347 0.000 -0.003 0.000 3/18816 960.0 0.302 0.506 0.343 0.000 -0.003 0.000 3/18816 970.0 0.299 0.500 0.340 0.000 -0.003 0.000 3/18816 980.0 0.296 0.495 0.336 0.000 -0.003 0.000 3/18816 990.0 0.293 0.490 0.333 0.000 -0.003 0.000 3/18816 1000.0 0.290 0.485 0.330 0.000 -0.003 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m877.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:00:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|