----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:00:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.154643219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.666928300000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.526116090000000 Atomic positions (fractional): *1 S 0.01089612494271 0.75000000000000 0.39086822356276 32.065 2 S 0.98910387505729 0.25000000000000 0.60913177643724 32.065 3 S 0.51089612494271 0.75000000000000 0.10913177643724 32.065 4 S 0.48910387505729 0.25000000000000 0.89086822356276 32.065 *5 S 0.17176171188161 0.75000000000000 0.98793258699003 32.065 6 S 0.82823828811839 0.25000000000000 0.01206741300997 32.065 7 S 0.67176171188161 0.75000000000000 0.51206741300997 32.065 8 S 0.32823828811839 0.25000000000000 0.48793258699003 32.065 *9 S 0.23026613488748 0.25000000000000 0.21735847367352 32.065 10 S 0.76973386511252 0.75000000000000 0.78264152632648 32.065 11 S 0.73026613488748 0.25000000000000 0.28264152632648 32.065 12 S 0.26973386511252 0.75000000000000 0.71735847367352 32.065 *13 Sn 0.96026764861415 0.25000000000000 0.83064976087899 118.710 14 Sn 0.03973235138585 0.75000000000000 0.16935023912101 118.710 15 Sn 0.46026764861415 0.25000000000000 0.66935023912101 118.710 16 Sn 0.53973235138585 0.75000000000000 0.33064976087899 118.710 *17 Hf 0.33817041208316 0.25000000000000 0.04823979793979 178.490 18 Hf 0.66182958791684 0.75000000000000 0.95176020206021 178.490 19 Hf 0.83817041208316 0.25000000000000 0.45176020206021 178.490 20 Hf 0.16182958791684 0.75000000000000 0.54823979793979 178.490 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.154643219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.666928300000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.526116090000000 Atomic positions (fractional): *1 S 0.01089612494271 0.75000000000000 0.39086822356276 32.065 > 1 2 S 0.98910387505729 0.25000000000000 0.60913177643724 32.065 > 2 3 S 0.51089612494271 0.75000000000000 0.10913177643724 32.065 > 3 4 S 0.48910387505729 0.25000000000000 0.89086822356276 32.065 > 4 *5 S 0.17176171188161 0.75000000000000 0.98793258699003 32.065 > 5 6 S 0.82823828811839 0.25000000000000 0.01206741300997 32.065 > 6 7 S 0.67176171188161 0.75000000000000 0.51206741300997 32.065 > 7 8 S 0.32823828811839 0.25000000000000 0.48793258699003 32.065 > 8 *9 S 0.23026613488748 0.25000000000000 0.21735847367352 32.065 > 9 10 S 0.76973386511252 0.75000000000000 0.78264152632648 32.065 > 10 11 S 0.73026613488748 0.25000000000000 0.28264152632648 32.065 > 11 12 S 0.26973386511252 0.75000000000000 0.71735847367352 32.065 > 12 *13 Sn 0.96026764861415 0.25000000000000 0.83064976087899 118.710 > 13 14 Sn 0.03973235138585 0.75000000000000 0.16935023912101 118.710 > 14 15 Sn 0.46026764861415 0.25000000000000 0.66935023912101 118.710 > 15 16 Sn 0.53973235138585 0.75000000000000 0.33064976087899 118.710 > 16 *17 Hf 0.33817041208316 0.25000000000000 0.04823979793979 178.490 > 17 18 Hf 0.66182958791684 0.75000000000000 0.95176020206021 178.490 > 18 19 Hf 0.83817041208316 0.25000000000000 0.45176020206021 178.490 > 19 20 Hf 0.16182958791684 0.75000000000000 0.54823979793979 178.490 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.309286439999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.000784900000003 0.000000000000000 c 0.000000000000000 0.000000000000000 13.526116090000000 Atomic positions (fractional): *1 S 0.00544806247135 0.25000000000000 0.39086822356276 32.065 > 1 2 S 0.50544806247135 0.25000000000000 0.39086822356276 32.065 > 1 3 S 0.00544806247135 0.58333333333333 0.39086822356276 32.065 > 1 4 S 0.50544806247135 0.58333333333333 0.39086822356276 32.065 > 1 5 S 0.00544806247135 0.91666666666667 0.39086822356276 32.065 > 1 6 S 0.50544806247135 0.91666666666667 0.39086822356276 32.065 > 1 7 S 0.49455193752865 0.08333333333333 0.60913177643724 32.065 > 2 8 S 0.99455193752865 0.08333333333333 0.60913177643724 32.065 > 2 9 S 0.49455193752865 0.41666666666667 0.60913177643724 32.065 > 2 10 S 0.99455193752865 0.41666666666667 0.60913177643724 32.065 > 2 11 S 0.49455193752865 0.75000000000000 0.60913177643724 32.065 > 2 12 S 0.99455193752865 0.75000000000000 0.60913177643724 32.065 > 2 13 S 0.25544806247135 0.25000000000000 0.10913177643724 32.065 > 3 14 S 0.75544806247135 0.25000000000000 0.10913177643724 32.065 > 3 15 S 0.25544806247135 0.58333333333333 0.10913177643724 32.065 > 3 16 S 0.75544806247135 0.58333333333333 0.10913177643724 32.065 > 3 17 S 0.25544806247135 0.91666666666667 0.10913177643724 32.065 > 3 18 S 0.75544806247135 0.91666666666667 0.10913177643724 32.065 > 3 19 S 0.24455193752865 0.08333333333333 0.89086822356276 32.065 > 4 20 S 0.74455193752865 0.08333333333333 0.89086822356276 32.065 > 4 21 S 0.24455193752865 0.41666666666667 0.89086822356276 32.065 > 4 22 S 0.74455193752865 0.41666666666667 0.89086822356276 32.065 > 4 23 S 0.24455193752865 0.75000000000000 0.89086822356276 32.065 > 4 24 S 0.74455193752865 0.75000000000000 0.89086822356276 32.065 > 4 *25 S 0.08588085594080 0.25000000000000 0.98793258699003 32.065 > 5 26 S 0.58588085594080 0.25000000000000 0.98793258699003 32.065 > 5 27 S 0.08588085594080 0.58333333333333 0.98793258699003 32.065 > 5 28 S 0.58588085594080 0.58333333333333 0.98793258699003 32.065 > 5 29 S 0.08588085594080 0.91666666666667 0.98793258699003 32.065 > 5 30 S 0.58588085594080 0.91666666666667 0.98793258699003 32.065 > 5 31 S 0.41411914405920 0.08333333333333 0.01206741300997 32.065 > 6 32 S 0.91411914405920 0.08333333333333 0.01206741300997 32.065 > 6 33 S 0.41411914405920 0.41666666666667 0.01206741300997 32.065 > 6 34 S 0.91411914405920 0.41666666666667 0.01206741300997 32.065 > 6 35 S 0.41411914405920 0.75000000000000 0.01206741300997 32.065 > 6 36 S 0.91411914405920 0.75000000000000 0.01206741300997 32.065 > 6 37 S 0.33588085594080 0.25000000000000 0.51206741300997 32.065 > 7 38 S 0.83588085594080 0.25000000000000 0.51206741300997 32.065 > 7 39 S 0.33588085594080 0.58333333333333 0.51206741300997 32.065 > 7 40 S 0.83588085594080 0.58333333333333 0.51206741300997 32.065 > 7 41 S 0.33588085594080 0.91666666666667 0.51206741300997 32.065 > 7 42 S 0.83588085594080 0.91666666666667 0.51206741300997 32.065 > 7 43 S 0.16411914405920 0.08333333333333 0.48793258699003 32.065 > 8 44 S 0.66411914405920 0.08333333333333 0.48793258699003 32.065 > 8 45 S 0.16411914405920 0.41666666666667 0.48793258699003 32.065 > 8 46 S 0.66411914405920 0.41666666666667 0.48793258699003 32.065 > 8 47 S 0.16411914405920 0.75000000000000 0.48793258699003 32.065 > 8 48 S 0.66411914405920 0.75000000000000 0.48793258699003 32.065 > 8 *49 S 0.11513306744374 0.08333333333333 0.21735847367352 32.065 > 9 50 S 0.61513306744374 0.08333333333333 0.21735847367352 32.065 > 9 51 S 0.11513306744374 0.41666666666667 0.21735847367352 32.065 > 9 52 S 0.61513306744374 0.41666666666667 0.21735847367352 32.065 > 9 53 S 0.11513306744374 0.75000000000000 0.21735847367352 32.065 > 9 54 S 0.61513306744374 0.75000000000000 0.21735847367352 32.065 > 9 55 S 0.38486693255626 0.25000000000000 0.78264152632648 32.065 > 10 56 S 0.88486693255626 0.25000000000000 0.78264152632648 32.065 > 10 57 S 0.38486693255626 0.58333333333333 0.78264152632648 32.065 > 10 58 S 0.88486693255626 0.58333333333333 0.78264152632648 32.065 > 10 59 S 0.38486693255626 0.91666666666667 0.78264152632648 32.065 > 10 60 S 0.88486693255626 0.91666666666667 0.78264152632648 32.065 > 10 61 S 0.36513306744374 0.08333333333333 0.28264152632648 32.065 > 11 62 S 0.86513306744374 0.08333333333333 0.28264152632648 32.065 > 11 63 S 0.36513306744374 0.41666666666667 0.28264152632648 32.065 > 11 64 S 0.86513306744374 0.41666666666667 0.28264152632648 32.065 > 11 65 S 0.36513306744374 0.75000000000000 0.28264152632648 32.065 > 11 66 S 0.86513306744374 0.75000000000000 0.28264152632648 32.065 > 11 67 S 0.13486693255626 0.25000000000000 0.71735847367352 32.065 > 12 68 S 0.63486693255626 0.25000000000000 0.71735847367352 32.065 > 12 69 S 0.13486693255626 0.58333333333333 0.71735847367352 32.065 > 12 70 S 0.63486693255626 0.58333333333333 0.71735847367352 32.065 > 12 71 S 0.13486693255626 0.91666666666667 0.71735847367352 32.065 > 12 72 S 0.63486693255626 0.91666666666667 0.71735847367352 32.065 > 12 *73 Sn 0.48013382430707 0.08333333333333 0.83064976087899 118.710 > 13 74 Sn 0.98013382430707 0.08333333333333 0.83064976087899 118.710 > 13 75 Sn 0.48013382430707 0.41666666666667 0.83064976087899 118.710 > 13 76 Sn 0.98013382430707 0.41666666666667 0.83064976087899 118.710 > 13 77 Sn 0.48013382430707 0.75000000000000 0.83064976087899 118.710 > 13 78 Sn 0.98013382430707 0.75000000000000 0.83064976087899 118.710 > 13 79 Sn 0.01986617569293 0.25000000000000 0.16935023912101 118.710 > 14 80 Sn 0.51986617569293 0.25000000000000 0.16935023912101 118.710 > 14 81 Sn 0.01986617569293 0.58333333333333 0.16935023912101 118.710 > 14 82 Sn 0.51986617569293 0.58333333333333 0.16935023912101 118.710 > 14 83 Sn 0.01986617569293 0.91666666666667 0.16935023912101 118.710 > 14 84 Sn 0.51986617569293 0.91666666666667 0.16935023912101 118.710 > 14 85 Sn 0.23013382430707 0.08333333333333 0.66935023912101 118.710 > 15 86 Sn 0.73013382430707 0.08333333333333 0.66935023912101 118.710 > 15 87 Sn 0.23013382430707 0.41666666666667 0.66935023912101 118.710 > 15 88 Sn 0.73013382430707 0.41666666666667 0.66935023912101 118.710 > 15 89 Sn 0.23013382430707 0.75000000000000 0.66935023912101 118.710 > 15 90 Sn 0.73013382430707 0.75000000000000 0.66935023912101 118.710 > 15 91 Sn 0.26986617569293 0.25000000000000 0.33064976087899 118.710 > 16 92 Sn 0.76986617569293 0.25000000000000 0.33064976087899 118.710 > 16 93 Sn 0.26986617569293 0.58333333333333 0.33064976087899 118.710 > 16 94 Sn 0.76986617569293 0.58333333333333 0.33064976087899 118.710 > 16 95 Sn 0.26986617569293 0.91666666666667 0.33064976087899 118.710 > 16 96 Sn 0.76986617569293 0.91666666666667 0.33064976087899 118.710 > 16 *97 Hf 0.16908520604158 0.08333333333333 0.04823979793979 178.490 > 17 98 Hf 0.66908520604158 0.08333333333333 0.04823979793979 178.490 > 17 99 Hf 0.16908520604158 0.41666666666667 0.04823979793979 178.490 > 17 100 Hf 0.66908520604158 0.41666666666667 0.04823979793979 178.490 > 17 101 Hf 0.16908520604158 0.75000000000000 0.04823979793979 178.490 > 17 102 Hf 0.66908520604158 0.75000000000000 0.04823979793979 178.490 > 17 103 Hf 0.33091479395842 0.25000000000000 0.95176020206021 178.490 > 18 104 Hf 0.83091479395842 0.25000000000000 0.95176020206021 178.490 > 18 105 Hf 0.33091479395842 0.58333333333333 0.95176020206021 178.490 > 18 106 Hf 0.83091479395842 0.58333333333333 0.95176020206021 178.490 > 18 107 Hf 0.33091479395842 0.91666666666667 0.95176020206021 178.490 > 18 108 Hf 0.83091479395842 0.91666666666667 0.95176020206021 178.490 > 18 109 Hf 0.41908520604158 0.08333333333333 0.45176020206021 178.490 > 19 110 Hf 0.91908520604158 0.08333333333333 0.45176020206021 178.490 > 19 111 Hf 0.41908520604158 0.41666666666667 0.45176020206021 178.490 > 19 112 Hf 0.91908520604158 0.41666666666667 0.45176020206021 178.490 > 19 113 Hf 0.41908520604158 0.75000000000000 0.45176020206021 178.490 > 19 114 Hf 0.91908520604158 0.75000000000000 0.45176020206021 178.490 > 19 115 Hf 0.08091479395842 0.25000000000000 0.54823979793979 178.490 > 20 116 Hf 0.58091479395842 0.25000000000000 0.54823979793979 178.490 > 20 117 Hf 0.08091479395842 0.58333333333333 0.54823979793979 178.490 > 20 118 Hf 0.58091479395842 0.58333333333333 0.54823979793979 178.490 > 20 119 Hf 0.08091479395842 0.91666666666667 0.54823979793979 178.490 > 20 120 Hf 0.58091479395842 0.91666666666667 0.54823979793979 178.490 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8377049 0.0000000 0.0000000 0.0000000 11.9366224 0.0000000 0.0000000 0.0000000 9.2244970 -------------------------- Born effective charges -------------------------- 1 S -2.7802283 0.0000000 -0.2869500 0.0000000 -3.7515499 0.0000000 -0.4547170 0.0000000 -2.7079293 2 S -2.7802283 0.0000000 -0.2869500 0.0000000 -3.7515499 0.0000000 -0.4547170 0.0000000 -2.7079293 3 S -2.7802283 0.0000000 0.2869500 0.0000000 -3.7515499 0.0000000 0.4547170 0.0000000 -2.7079293 4 S -2.7802283 0.0000000 0.2869500 0.0000000 -3.7515499 0.0000000 0.4547170 0.0000000 -2.7079293 5 S -2.5621061 0.0000000 -0.5761127 0.0000000 -4.3686311 0.0000000 0.2114380 0.0000000 -1.7653978 6 S -2.5621061 0.0000000 -0.5761127 0.0000000 -4.3686311 0.0000000 0.2114380 0.0000000 -1.7653978 7 S -2.5621061 0.0000000 0.5761127 0.0000000 -4.3686311 0.0000000 -0.2114380 0.0000000 -1.7653978 8 S -2.5621061 0.0000000 0.5761127 0.0000000 -4.3686311 0.0000000 -0.2114380 0.0000000 -1.7653978 9 S -2.4242416 0.0000000 0.8006798 0.0000000 -2.4108384 0.0000000 0.4459231 0.0000000 -1.8278907 10 S -2.4242416 0.0000000 0.8006798 0.0000000 -2.4108384 0.0000000 0.4459231 0.0000000 -1.8278907 11 S -2.4242416 0.0000000 -0.8006798 0.0000000 -2.4108384 0.0000000 -0.4459231 0.0000000 -1.8278907 12 S -2.4242416 0.0000000 -0.8006798 0.0000000 -2.4108384 0.0000000 -0.4459231 0.0000000 -1.8278907 13 Sn 2.8679035 0.0000000 -0.3111169 0.0000000 3.0870940 0.0000000 -0.6125287 0.0000000 3.2875934 14 Sn 2.8679035 0.0000000 -0.3111169 0.0000000 3.0870940 0.0000000 -0.6125287 0.0000000 3.2875934 15 Sn 2.8679035 0.0000000 0.3111169 0.0000000 3.0870940 0.0000000 0.6125287 0.0000000 3.2875934 16 Sn 2.8679035 0.0000000 0.3111169 0.0000000 3.0870940 0.0000000 0.6125287 0.0000000 3.2875934 17 Hf 4.8986725 0.0000000 -1.2948194 0.0000000 7.4439254 0.0000000 -1.1523479 0.0000000 3.0136244 18 Hf 4.8986725 0.0000000 -1.2948194 0.0000000 7.4439254 0.0000000 -1.1523479 0.0000000 3.0136244 19 Hf 4.8986725 0.0000000 1.2948194 0.0000000 7.4439254 0.0000000 1.1523479 0.0000000 3.0136244 20 Hf 4.8986725 0.0000000 1.2948194 0.0000000 7.4439254 0.0000000 1.1523479 0.0000000 3.0136244 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.121 Solver_block: 200 / 320 - Time: 2.125 Solver_block: 300 / 320 - Time: 2.129 Solver_block: 320 / 320 - Time: 0.523 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.931 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), 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 23:00:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:00:26]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.154643219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.666928300000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.526116090000000 Atomic positions (fractional): 1 S 0.01089612494271 0.75000000000000 0.39086822356276 32.065 2 S 0.98910387505729 0.25000000000000 0.60913177643724 32.065 3 S 0.51089612494271 0.75000000000000 0.10913177643724 32.065 4 S 0.48910387505729 0.25000000000000 0.89086822356276 32.065 5 S 0.17176171188161 0.75000000000000 0.98793258699003 32.065 6 S 0.82823828811839 0.25000000000000 0.01206741300997 32.065 7 S 0.67176171188161 0.75000000000000 0.51206741300997 32.065 8 S 0.32823828811839 0.25000000000000 0.48793258699003 32.065 9 S 0.23026613488748 0.25000000000000 0.21735847367352 32.065 10 S 0.76973386511252 0.75000000000000 0.78264152632648 32.065 11 S 0.73026613488748 0.25000000000000 0.28264152632648 32.065 12 S 0.26973386511252 0.75000000000000 0.71735847367352 32.065 13 Sn 0.96026764861415 0.25000000000000 0.83064976087899 118.710 14 Sn 0.03973235138585 0.75000000000000 0.16935023912101 118.710 15 Sn 0.46026764861415 0.25000000000000 0.66935023912101 118.710 16 Sn 0.53973235138585 0.75000000000000 0.33064976087899 118.710 17 Hf 0.33817041208316 0.25000000000000 0.04823979793979 178.490 18 Hf 0.66182958791684 0.75000000000000 0.95176020206021 178.490 19 Hf 0.83817041208316 0.25000000000000 0.45176020206021 178.490 20 Hf 0.16182958791684 0.75000000000000 0.54823979793979 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.309286439999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.000784900000003 0.000000000000000 c 0.000000000000000 0.000000000000000 13.526116090000000 Atomic positions (fractional): 1 S 0.00544806247135 0.25000000000000 0.39086822356276 32.065 > 1 2 S 0.50544806247135 0.25000000000000 0.39086822356276 32.065 > 1 3 S 0.00544806247135 0.58333333333333 0.39086822356276 32.065 > 1 4 S 0.50544806247135 0.58333333333333 0.39086822356276 32.065 > 1 5 S 0.00544806247135 0.91666666666667 0.39086822356276 32.065 > 1 6 S 0.50544806247135 0.91666666666667 0.39086822356276 32.065 > 1 7 S 0.49455193752865 0.08333333333333 0.60913177643724 32.065 > 7 8 S 0.99455193752865 0.08333333333333 0.60913177643724 32.065 > 7 9 S 0.49455193752865 0.41666666666667 0.60913177643724 32.065 > 7 10 S 0.99455193752865 0.41666666666667 0.60913177643724 32.065 > 7 11 S 0.49455193752865 0.75000000000000 0.60913177643724 32.065 > 7 12 S 0.99455193752865 0.75000000000000 0.60913177643724 32.065 > 7 13 S 0.25544806247135 0.25000000000000 0.10913177643724 32.065 > 13 14 S 0.75544806247135 0.25000000000000 0.10913177643724 32.065 > 13 15 S 0.25544806247135 0.58333333333333 0.10913177643724 32.065 > 13 16 S 0.75544806247135 0.58333333333333 0.10913177643724 32.065 > 13 17 S 0.25544806247135 0.91666666666667 0.10913177643724 32.065 > 13 18 S 0.75544806247135 0.91666666666667 0.10913177643724 32.065 > 13 19 S 0.24455193752865 0.08333333333333 0.89086822356276 32.065 > 19 20 S 0.74455193752865 0.08333333333333 0.89086822356276 32.065 > 19 21 S 0.24455193752865 0.41666666666667 0.89086822356276 32.065 > 19 22 S 0.74455193752865 0.41666666666667 0.89086822356276 32.065 > 19 23 S 0.24455193752865 0.75000000000000 0.89086822356276 32.065 > 19 24 S 0.74455193752865 0.75000000000000 0.89086822356276 32.065 > 19 25 S 0.08588085594080 0.25000000000000 0.98793258699003 32.065 > 25 26 S 0.58588085594080 0.25000000000000 0.98793258699003 32.065 > 25 27 S 0.08588085594080 0.58333333333333 0.98793258699003 32.065 > 25 28 S 0.58588085594080 0.58333333333333 0.98793258699003 32.065 > 25 29 S 0.08588085594080 0.91666666666667 0.98793258699003 32.065 > 25 30 S 0.58588085594080 0.91666666666667 0.98793258699003 32.065 > 25 31 S 0.41411914405920 0.08333333333333 0.01206741300997 32.065 > 31 32 S 0.91411914405920 0.08333333333333 0.01206741300997 32.065 > 31 33 S 0.41411914405920 0.41666666666667 0.01206741300997 32.065 > 31 34 S 0.91411914405920 0.41666666666667 0.01206741300997 32.065 > 31 35 S 0.41411914405920 0.75000000000000 0.01206741300997 32.065 > 31 36 S 0.91411914405920 0.75000000000000 0.01206741300997 32.065 > 31 37 S 0.33588085594080 0.25000000000000 0.51206741300997 32.065 > 37 38 S 0.83588085594080 0.25000000000000 0.51206741300997 32.065 > 37 39 S 0.33588085594080 0.58333333333333 0.51206741300997 32.065 > 37 40 S 0.83588085594080 0.58333333333333 0.51206741300997 32.065 > 37 41 S 0.33588085594080 0.91666666666667 0.51206741300997 32.065 > 37 42 S 0.83588085594080 0.91666666666667 0.51206741300997 32.065 > 37 43 S 0.16411914405920 0.08333333333333 0.48793258699003 32.065 > 43 44 S 0.66411914405920 0.08333333333333 0.48793258699003 32.065 > 43 45 S 0.16411914405920 0.41666666666667 0.48793258699003 32.065 > 43 46 S 0.66411914405920 0.41666666666667 0.48793258699003 32.065 > 43 47 S 0.16411914405920 0.75000000000000 0.48793258699003 32.065 > 43 48 S 0.66411914405920 0.75000000000000 0.48793258699003 32.065 > 43 49 S 0.11513306744374 0.08333333333333 0.21735847367352 32.065 > 49 50 S 0.61513306744374 0.08333333333333 0.21735847367352 32.065 > 49 51 S 0.11513306744374 0.41666666666667 0.21735847367352 32.065 > 49 52 S 0.61513306744374 0.41666666666667 0.21735847367352 32.065 > 49 53 S 0.11513306744374 0.75000000000000 0.21735847367352 32.065 > 49 54 S 0.61513306744374 0.75000000000000 0.21735847367352 32.065 > 49 55 S 0.38486693255626 0.25000000000000 0.78264152632648 32.065 > 55 56 S 0.88486693255626 0.25000000000000 0.78264152632648 32.065 > 55 57 S 0.38486693255626 0.58333333333333 0.78264152632648 32.065 > 55 58 S 0.88486693255626 0.58333333333333 0.78264152632648 32.065 > 55 59 S 0.38486693255626 0.91666666666667 0.78264152632648 32.065 > 55 60 S 0.88486693255626 0.91666666666667 0.78264152632648 32.065 > 55 61 S 0.36513306744374 0.08333333333333 0.28264152632648 32.065 > 61 62 S 0.86513306744374 0.08333333333333 0.28264152632648 32.065 > 61 63 S 0.36513306744374 0.41666666666667 0.28264152632648 32.065 > 61 64 S 0.86513306744374 0.41666666666667 0.28264152632648 32.065 > 61 65 S 0.36513306744374 0.75000000000000 0.28264152632648 32.065 > 61 66 S 0.86513306744374 0.75000000000000 0.28264152632648 32.065 > 61 67 S 0.13486693255626 0.25000000000000 0.71735847367352 32.065 > 67 68 S 0.63486693255626 0.25000000000000 0.71735847367352 32.065 > 67 69 S 0.13486693255626 0.58333333333333 0.71735847367352 32.065 > 67 70 S 0.63486693255626 0.58333333333333 0.71735847367352 32.065 > 67 71 S 0.13486693255626 0.91666666666667 0.71735847367352 32.065 > 67 72 S 0.63486693255626 0.91666666666667 0.71735847367352 32.065 > 67 73 Sn 0.48013382430707 0.08333333333333 0.83064976087899 118.710 > 73 74 Sn 0.98013382430707 0.08333333333333 0.83064976087899 118.710 > 73 75 Sn 0.48013382430707 0.41666666666667 0.83064976087899 118.710 > 73 76 Sn 0.98013382430707 0.41666666666667 0.83064976087899 118.710 > 73 77 Sn 0.48013382430707 0.75000000000000 0.83064976087899 118.710 > 73 78 Sn 0.98013382430707 0.75000000000000 0.83064976087899 118.710 > 73 79 Sn 0.01986617569293 0.25000000000000 0.16935023912101 118.710 > 79 80 Sn 0.51986617569293 0.25000000000000 0.16935023912101 118.710 > 79 81 Sn 0.01986617569293 0.58333333333333 0.16935023912101 118.710 > 79 82 Sn 0.51986617569293 0.58333333333333 0.16935023912101 118.710 > 79 83 Sn 0.01986617569293 0.91666666666667 0.16935023912101 118.710 > 79 84 Sn 0.51986617569293 0.91666666666667 0.16935023912101 118.710 > 79 85 Sn 0.23013382430707 0.08333333333333 0.66935023912101 118.710 > 85 86 Sn 0.73013382430707 0.08333333333333 0.66935023912101 118.710 > 85 87 Sn 0.23013382430707 0.41666666666667 0.66935023912101 118.710 > 85 88 Sn 0.73013382430707 0.41666666666667 0.66935023912101 118.710 > 85 89 Sn 0.23013382430707 0.75000000000000 0.66935023912101 118.710 > 85 90 Sn 0.73013382430707 0.75000000000000 0.66935023912101 118.710 > 85 91 Sn 0.26986617569293 0.25000000000000 0.33064976087899 118.710 > 91 92 Sn 0.76986617569293 0.25000000000000 0.33064976087899 118.710 > 91 93 Sn 0.26986617569293 0.58333333333333 0.33064976087899 118.710 > 91 94 Sn 0.76986617569293 0.58333333333333 0.33064976087899 118.710 > 91 95 Sn 0.26986617569293 0.91666666666667 0.33064976087899 118.710 > 91 96 Sn 0.76986617569293 0.91666666666667 0.33064976087899 118.710 > 91 97 Hf 0.16908520604158 0.08333333333333 0.04823979793979 178.490 > 97 98 Hf 0.66908520604158 0.08333333333333 0.04823979793979 178.490 > 97 99 Hf 0.16908520604158 0.41666666666667 0.04823979793979 178.490 > 97 100 Hf 0.66908520604158 0.41666666666667 0.04823979793979 178.490 > 97 101 Hf 0.16908520604158 0.75000000000000 0.04823979793979 178.490 > 97 102 Hf 0.66908520604158 0.75000000000000 0.04823979793979 178.490 > 97 103 Hf 0.33091479395842 0.25000000000000 0.95176020206021 178.490 > 103 104 Hf 0.83091479395842 0.25000000000000 0.95176020206021 178.490 > 103 105 Hf 0.33091479395842 0.58333333333333 0.95176020206021 178.490 > 103 106 Hf 0.83091479395842 0.58333333333333 0.95176020206021 178.490 > 103 107 Hf 0.33091479395842 0.91666666666667 0.95176020206021 178.490 > 103 108 Hf 0.83091479395842 0.91666666666667 0.95176020206021 178.490 > 103 109 Hf 0.41908520604158 0.08333333333333 0.45176020206021 178.490 > 109 110 Hf 0.91908520604158 0.08333333333333 0.45176020206021 178.490 > 109 111 Hf 0.41908520604158 0.41666666666667 0.45176020206021 178.490 > 109 112 Hf 0.91908520604158 0.41666666666667 0.45176020206021 178.490 > 109 113 Hf 0.41908520604158 0.75000000000000 0.45176020206021 178.490 > 109 114 Hf 0.91908520604158 0.75000000000000 0.45176020206021 178.490 > 109 115 Hf 0.08091479395842 0.25000000000000 0.54823979793979 178.490 > 115 116 Hf 0.58091479395842 0.25000000000000 0.54823979793979 178.490 > 115 117 Hf 0.08091479395842 0.58333333333333 0.54823979793979 178.490 > 115 118 Hf 0.58091479395842 0.58333333333333 0.54823979793979 178.490 > 115 119 Hf 0.08091479395842 0.91666666666667 0.54823979793979 178.490 > 115 120 Hf 0.58091479395842 0.91666666666667 0.54823979793979 178.490 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.8377049 0.0000000 0.0000000 0.0000000 11.9366224 0.0000000 0.0000000 0.0000000 9.2244970 -------------------------- Born effective charges -------------------------- 1 S -2.7802283 0.0000000 -0.2869500 0.0000000 -3.7515499 0.0000000 -0.4547170 0.0000000 -2.7079293 2 S -2.7802283 0.0000000 -0.2869500 0.0000000 -3.7515499 0.0000000 -0.4547170 0.0000000 -2.7079293 3 S -2.7802283 0.0000000 0.2869500 0.0000000 -3.7515499 0.0000000 0.4547170 0.0000000 -2.7079293 4 S -2.7802283 0.0000000 0.2869500 0.0000000 -3.7515499 0.0000000 0.4547170 0.0000000 -2.7079293 5 S -2.5621061 0.0000000 -0.5761127 0.0000000 -4.3686311 0.0000000 0.2114380 0.0000000 -1.7653978 6 S -2.5621061 0.0000000 -0.5761127 0.0000000 -4.3686311 0.0000000 0.2114380 0.0000000 -1.7653978 7 S -2.5621061 0.0000000 0.5761127 0.0000000 -4.3686311 0.0000000 -0.2114380 0.0000000 -1.7653978 8 S -2.5621061 0.0000000 0.5761127 0.0000000 -4.3686311 0.0000000 -0.2114380 0.0000000 -1.7653978 9 S -2.4242416 0.0000000 0.8006798 0.0000000 -2.4108384 0.0000000 0.4459231 0.0000000 -1.8278907 10 S -2.4242416 0.0000000 0.8006798 0.0000000 -2.4108384 0.0000000 0.4459231 0.0000000 -1.8278907 11 S -2.4242416 0.0000000 -0.8006798 0.0000000 -2.4108384 0.0000000 -0.4459231 0.0000000 -1.8278907 12 S -2.4242416 0.0000000 -0.8006798 0.0000000 -2.4108384 0.0000000 -0.4459231 0.0000000 -1.8278907 13 Sn 2.8679035 0.0000000 -0.3111169 0.0000000 3.0870940 0.0000000 -0.6125287 0.0000000 3.2875934 14 Sn 2.8679035 0.0000000 -0.3111169 0.0000000 3.0870940 0.0000000 -0.6125287 0.0000000 3.2875934 15 Sn 2.8679035 0.0000000 0.3111169 0.0000000 3.0870940 0.0000000 0.6125287 0.0000000 3.2875934 16 Sn 2.8679035 0.0000000 0.3111169 0.0000000 3.0870940 0.0000000 0.6125287 0.0000000 3.2875934 17 Hf 4.8986725 0.0000000 -1.2948194 0.0000000 7.4439254 0.0000000 -1.1523479 0.0000000 3.0136244 18 Hf 4.8986725 0.0000000 -1.2948194 0.0000000 7.4439254 0.0000000 -1.1523479 0.0000000 3.0136244 19 Hf 4.8986725 0.0000000 1.2948194 0.0000000 7.4439254 0.0000000 1.1523479 0.0000000 3.0136244 20 Hf 4.8986725 0.0000000 1.2948194 0.0000000 7.4439254 0.0000000 1.1523479 0.0000000 3.0136244 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 23:00:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:00:46]------------------------- 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 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.154643219999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.666928300000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.526116090000000 Atomic positions (fractional): 1 S 0.01089612494271 0.75000000000000 0.39086822356276 32.065 2 S 0.98910387505729 0.25000000000000 0.60913177643724 32.065 3 S 0.51089612494271 0.75000000000000 0.10913177643724 32.065 4 S 0.48910387505729 0.25000000000000 0.89086822356276 32.065 5 S 0.17176171188161 0.75000000000000 0.98793258699003 32.065 6 S 0.82823828811839 0.25000000000000 0.01206741300997 32.065 7 S 0.67176171188161 0.75000000000000 0.51206741300997 32.065 8 S 0.32823828811839 0.25000000000000 0.48793258699003 32.065 9 S 0.23026613488748 0.25000000000000 0.21735847367352 32.065 10 S 0.76973386511252 0.75000000000000 0.78264152632648 32.065 11 S 0.73026613488748 0.25000000000000 0.28264152632648 32.065 12 S 0.26973386511252 0.75000000000000 0.71735847367352 32.065 13 Sn 0.96026764861415 0.25000000000000 0.83064976087899 118.710 14 Sn 0.03973235138585 0.75000000000000 0.16935023912101 118.710 15 Sn 0.46026764861415 0.25000000000000 0.66935023912101 118.710 16 Sn 0.53973235138585 0.75000000000000 0.33064976087899 118.710 17 Hf 0.33817041208316 0.25000000000000 0.04823979793979 178.490 18 Hf 0.66182958791684 0.75000000000000 0.95176020206021 178.490 19 Hf 0.83817041208316 0.25000000000000 0.45176020206021 178.490 20 Hf 0.16182958791684 0.75000000000000 0.54823979793979 178.490 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.309286439999997 0.000000000000000 0.000000000000000 b 0.000000000000000 11.000784900000003 0.000000000000000 c 0.000000000000000 0.000000000000000 13.526116090000000 Atomic positions (fractional): 1 S 0.00544806247135 0.25000000000000 0.39086822356276 32.065 > 1 2 S 0.50544806247135 0.25000000000000 0.39086822356276 32.065 > 1 3 S 0.00544806247135 0.58333333333333 0.39086822356276 32.065 > 1 4 S 0.50544806247135 0.58333333333333 0.39086822356276 32.065 > 1 5 S 0.00544806247135 0.91666666666667 0.39086822356276 32.065 > 1 6 S 0.50544806247135 0.91666666666667 0.39086822356276 32.065 > 1 7 S 0.49455193752865 0.08333333333333 0.60913177643724 32.065 > 7 8 S 0.99455193752865 0.08333333333333 0.60913177643724 32.065 > 7 9 S 0.49455193752865 0.41666666666667 0.60913177643724 32.065 > 7 10 S 0.99455193752865 0.41666666666667 0.60913177643724 32.065 > 7 11 S 0.49455193752865 0.75000000000000 0.60913177643724 32.065 > 7 12 S 0.99455193752865 0.75000000000000 0.60913177643724 32.065 > 7 13 S 0.25544806247135 0.25000000000000 0.10913177643724 32.065 > 13 14 S 0.75544806247135 0.25000000000000 0.10913177643724 32.065 > 13 15 S 0.25544806247135 0.58333333333333 0.10913177643724 32.065 > 13 16 S 0.75544806247135 0.58333333333333 0.10913177643724 32.065 > 13 17 S 0.25544806247135 0.91666666666667 0.10913177643724 32.065 > 13 18 S 0.75544806247135 0.91666666666667 0.10913177643724 32.065 > 13 19 S 0.24455193752865 0.08333333333333 0.89086822356276 32.065 > 19 20 S 0.74455193752865 0.08333333333333 0.89086822356276 32.065 > 19 21 S 0.24455193752865 0.41666666666667 0.89086822356276 32.065 > 19 22 S 0.74455193752865 0.41666666666667 0.89086822356276 32.065 > 19 23 S 0.24455193752865 0.75000000000000 0.89086822356276 32.065 > 19 24 S 0.74455193752865 0.75000000000000 0.89086822356276 32.065 > 19 25 S 0.08588085594080 0.25000000000000 0.98793258699003 32.065 > 25 26 S 0.58588085594080 0.25000000000000 0.98793258699003 32.065 > 25 27 S 0.08588085594080 0.58333333333333 0.98793258699003 32.065 > 25 28 S 0.58588085594080 0.58333333333333 0.98793258699003 32.065 > 25 29 S 0.08588085594080 0.91666666666667 0.98793258699003 32.065 > 25 30 S 0.58588085594080 0.91666666666667 0.98793258699003 32.065 > 25 31 S 0.41411914405920 0.08333333333333 0.01206741300997 32.065 > 31 32 S 0.91411914405920 0.08333333333333 0.01206741300997 32.065 > 31 33 S 0.41411914405920 0.41666666666667 0.01206741300997 32.065 > 31 34 S 0.91411914405920 0.41666666666667 0.01206741300997 32.065 > 31 35 S 0.41411914405920 0.75000000000000 0.01206741300997 32.065 > 31 36 S 0.91411914405920 0.75000000000000 0.01206741300997 32.065 > 31 37 S 0.33588085594080 0.25000000000000 0.51206741300997 32.065 > 37 38 S 0.83588085594080 0.25000000000000 0.51206741300997 32.065 > 37 39 S 0.33588085594080 0.58333333333333 0.51206741300997 32.065 > 37 40 S 0.83588085594080 0.58333333333333 0.51206741300997 32.065 > 37 41 S 0.33588085594080 0.91666666666667 0.51206741300997 32.065 > 37 42 S 0.83588085594080 0.91666666666667 0.51206741300997 32.065 > 37 43 S 0.16411914405920 0.08333333333333 0.48793258699003 32.065 > 43 44 S 0.66411914405920 0.08333333333333 0.48793258699003 32.065 > 43 45 S 0.16411914405920 0.41666666666667 0.48793258699003 32.065 > 43 46 S 0.66411914405920 0.41666666666667 0.48793258699003 32.065 > 43 47 S 0.16411914405920 0.75000000000000 0.48793258699003 32.065 > 43 48 S 0.66411914405920 0.75000000000000 0.48793258699003 32.065 > 43 49 S 0.11513306744374 0.08333333333333 0.21735847367352 32.065 > 49 50 S 0.61513306744374 0.08333333333333 0.21735847367352 32.065 > 49 51 S 0.11513306744374 0.41666666666667 0.21735847367352 32.065 > 49 52 S 0.61513306744374 0.41666666666667 0.21735847367352 32.065 > 49 53 S 0.11513306744374 0.75000000000000 0.21735847367352 32.065 > 49 54 S 0.61513306744374 0.75000000000000 0.21735847367352 32.065 > 49 55 S 0.38486693255626 0.25000000000000 0.78264152632648 32.065 > 55 56 S 0.88486693255626 0.25000000000000 0.78264152632648 32.065 > 55 57 S 0.38486693255626 0.58333333333333 0.78264152632648 32.065 > 55 58 S 0.88486693255626 0.58333333333333 0.78264152632648 32.065 > 55 59 S 0.38486693255626 0.91666666666667 0.78264152632648 32.065 > 55 60 S 0.88486693255626 0.91666666666667 0.78264152632648 32.065 > 55 61 S 0.36513306744374 0.08333333333333 0.28264152632648 32.065 > 61 62 S 0.86513306744374 0.08333333333333 0.28264152632648 32.065 > 61 63 S 0.36513306744374 0.41666666666667 0.28264152632648 32.065 > 61 64 S 0.86513306744374 0.41666666666667 0.28264152632648 32.065 > 61 65 S 0.36513306744374 0.75000000000000 0.28264152632648 32.065 > 61 66 S 0.86513306744374 0.75000000000000 0.28264152632648 32.065 > 61 67 S 0.13486693255626 0.25000000000000 0.71735847367352 32.065 > 67 68 S 0.63486693255626 0.25000000000000 0.71735847367352 32.065 > 67 69 S 0.13486693255626 0.58333333333333 0.71735847367352 32.065 > 67 70 S 0.63486693255626 0.58333333333333 0.71735847367352 32.065 > 67 71 S 0.13486693255626 0.91666666666667 0.71735847367352 32.065 > 67 72 S 0.63486693255626 0.91666666666667 0.71735847367352 32.065 > 67 73 Sn 0.48013382430707 0.08333333333333 0.83064976087899 118.710 > 73 74 Sn 0.98013382430707 0.08333333333333 0.83064976087899 118.710 > 73 75 Sn 0.48013382430707 0.41666666666667 0.83064976087899 118.710 > 73 76 Sn 0.98013382430707 0.41666666666667 0.83064976087899 118.710 > 73 77 Sn 0.48013382430707 0.75000000000000 0.83064976087899 118.710 > 73 78 Sn 0.98013382430707 0.75000000000000 0.83064976087899 118.710 > 73 79 Sn 0.01986617569293 0.25000000000000 0.16935023912101 118.710 > 79 80 Sn 0.51986617569293 0.25000000000000 0.16935023912101 118.710 > 79 81 Sn 0.01986617569293 0.58333333333333 0.16935023912101 118.710 > 79 82 Sn 0.51986617569293 0.58333333333333 0.16935023912101 118.710 > 79 83 Sn 0.01986617569293 0.91666666666667 0.16935023912101 118.710 > 79 84 Sn 0.51986617569293 0.91666666666667 0.16935023912101 118.710 > 79 85 Sn 0.23013382430707 0.08333333333333 0.66935023912101 118.710 > 85 86 Sn 0.73013382430707 0.08333333333333 0.66935023912101 118.710 > 85 87 Sn 0.23013382430707 0.41666666666667 0.66935023912101 118.710 > 85 88 Sn 0.73013382430707 0.41666666666667 0.66935023912101 118.710 > 85 89 Sn 0.23013382430707 0.75000000000000 0.66935023912101 118.710 > 85 90 Sn 0.73013382430707 0.75000000000000 0.66935023912101 118.710 > 85 91 Sn 0.26986617569293 0.25000000000000 0.33064976087899 118.710 > 91 92 Sn 0.76986617569293 0.25000000000000 0.33064976087899 118.710 > 91 93 Sn 0.26986617569293 0.58333333333333 0.33064976087899 118.710 > 91 94 Sn 0.76986617569293 0.58333333333333 0.33064976087899 118.710 > 91 95 Sn 0.26986617569293 0.91666666666667 0.33064976087899 118.710 > 91 96 Sn 0.76986617569293 0.91666666666667 0.33064976087899 118.710 > 91 97 Hf 0.16908520604158 0.08333333333333 0.04823979793979 178.490 > 97 98 Hf 0.66908520604158 0.08333333333333 0.04823979793979 178.490 > 97 99 Hf 0.16908520604158 0.41666666666667 0.04823979793979 178.490 > 97 100 Hf 0.66908520604158 0.41666666666667 0.04823979793979 178.490 > 97 101 Hf 0.16908520604158 0.75000000000000 0.04823979793979 178.490 > 97 102 Hf 0.66908520604158 0.75000000000000 0.04823979793979 178.490 > 97 103 Hf 0.33091479395842 0.25000000000000 0.95176020206021 178.490 > 103 104 Hf 0.83091479395842 0.25000000000000 0.95176020206021 178.490 > 103 105 Hf 0.33091479395842 0.58333333333333 0.95176020206021 178.490 > 103 106 Hf 0.83091479395842 0.58333333333333 0.95176020206021 178.490 > 103 107 Hf 0.33091479395842 0.91666666666667 0.95176020206021 178.490 > 103 108 Hf 0.83091479395842 0.91666666666667 0.95176020206021 178.490 > 103 109 Hf 0.41908520604158 0.08333333333333 0.45176020206021 178.490 > 109 110 Hf 0.91908520604158 0.08333333333333 0.45176020206021 178.490 > 109 111 Hf 0.41908520604158 0.41666666666667 0.45176020206021 178.490 > 109 112 Hf 0.91908520604158 0.41666666666667 0.45176020206021 178.490 > 109 113 Hf 0.41908520604158 0.75000000000000 0.45176020206021 178.490 > 109 114 Hf 0.91908520604158 0.75000000000000 0.45176020206021 178.490 > 109 115 Hf 0.08091479395842 0.25000000000000 0.54823979793979 178.490 > 115 116 Hf 0.58091479395842 0.25000000000000 0.54823979793979 178.490 > 115 117 Hf 0.08091479395842 0.58333333333333 0.54823979793979 178.490 > 115 118 Hf 0.58091479395842 0.58333333333333 0.54823979793979 178.490 > 115 119 Hf 0.08091479395842 0.91666666666667 0.54823979793979 178.490 > 115 120 Hf 0.58091479395842 0.91666666666667 0.54823979793979 178.490 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.8377049 0.0000000 0.0000000 0.0000000 11.9366224 0.0000000 0.0000000 0.0000000 9.2244970 -------------------------- Born effective charges -------------------------- 1 S -2.7802283 0.0000000 -0.2869500 0.0000000 -3.7515499 0.0000000 -0.4547170 0.0000000 -2.7079293 2 S -2.7802283 0.0000000 -0.2869500 0.0000000 -3.7515499 0.0000000 -0.4547170 0.0000000 -2.7079293 3 S -2.7802283 0.0000000 0.2869500 0.0000000 -3.7515499 0.0000000 0.4547170 0.0000000 -2.7079293 4 S -2.7802283 0.0000000 0.2869500 0.0000000 -3.7515499 0.0000000 0.4547170 0.0000000 -2.7079293 5 S -2.5621061 0.0000000 -0.5761127 0.0000000 -4.3686311 0.0000000 0.2114380 0.0000000 -1.7653978 6 S -2.5621061 0.0000000 -0.5761127 0.0000000 -4.3686311 0.0000000 0.2114380 0.0000000 -1.7653978 7 S -2.5621061 0.0000000 0.5761127 0.0000000 -4.3686311 0.0000000 -0.2114380 0.0000000 -1.7653978 8 S -2.5621061 0.0000000 0.5761127 0.0000000 -4.3686311 0.0000000 -0.2114380 0.0000000 -1.7653978 9 S -2.4242416 0.0000000 0.8006798 0.0000000 -2.4108384 0.0000000 0.4459231 0.0000000 -1.8278907 10 S -2.4242416 0.0000000 0.8006798 0.0000000 -2.4108384 0.0000000 0.4459231 0.0000000 -1.8278907 11 S -2.4242416 0.0000000 -0.8006798 0.0000000 -2.4108384 0.0000000 -0.4459231 0.0000000 -1.8278907 12 S -2.4242416 0.0000000 -0.8006798 0.0000000 -2.4108384 0.0000000 -0.4459231 0.0000000 -1.8278907 13 Sn 2.8679035 0.0000000 -0.3111169 0.0000000 3.0870940 0.0000000 -0.6125287 0.0000000 3.2875934 14 Sn 2.8679035 0.0000000 -0.3111169 0.0000000 3.0870940 0.0000000 -0.6125287 0.0000000 3.2875934 15 Sn 2.8679035 0.0000000 0.3111169 0.0000000 3.0870940 0.0000000 0.6125287 0.0000000 3.2875934 16 Sn 2.8679035 0.0000000 0.3111169 0.0000000 3.0870940 0.0000000 0.6125287 0.0000000 3.2875934 17 Hf 4.8986725 0.0000000 -1.2948194 0.0000000 7.4439254 0.0000000 -1.1523479 0.0000000 3.0136244 18 Hf 4.8986725 0.0000000 -1.2948194 0.0000000 7.4439254 0.0000000 -1.1523479 0.0000000 3.0136244 19 Hf 4.8986725 0.0000000 1.2948194 0.0000000 7.4439254 0.0000000 1.1523479 0.0000000 3.0136244 20 Hf 4.8986725 0.0000000 1.2948194 0.0000000 7.4439254 0.0000000 1.1523479 0.0000000 3.0136244 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 ... [ 5 14 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.54, Number of G-points: 289, Lambda: 0.18 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.835 ( 0.000 0.000 0.000) 0.000 0.858 ( 0.000 0.000 0.000) 0.000 1.326 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.595 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.848 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.990 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 0.000) 0.000 3.809 ( 0.000 0.000 0.000) 0.000 3.919 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 5.068 ( 0.000 0.000 0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.799 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.509 ( 0.000 0.000 0.000) 0.000 6.565 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.842 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.358 ( 0.000 0.000 0.000) 0.000 7.399 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.562 ( 0.000 0.000 0.000) 0.000 7.629 ( 0.000 0.000 0.000) 0.000 7.665 ( 0.000 0.000 0.000) 0.000 7.733 ( 0.000 0.000 0.000) 0.000 7.859 ( 0.000 0.000 0.000) 0.000 8.076 ( 0.000 0.000 0.000) 0.000 8.223 ( 0.000 0.000 0.000) 0.000 8.422 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 8.684 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 9.031 ( 0.000 0.000 0.000) 0.000 9.043 ( 0.000 0.000 0.000) 0.000 9.337 ( 0.000 0.000 0.000) 0.000 9.381 ( 0.000 0.000 0.000) 0.000 9.792 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 9.896 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 16.624 0.000 0.000) 16.624 0.500 ( 21.450 0.000 0.000) 21.450 0.591 ( 24.432 0.000 0.000) 24.432 0.853 ( 1.029 0.000 0.000) 1.029 0.915 ( 6.415 0.000 0.000) 6.415 1.275 ( -5.053 0.000 0.000) 5.053 1.433 ( -2.710 0.000 0.000) 2.710 1.479 ( -4.487 0.000 0.000) 4.487 1.513 ( 4.112 0.000 0.000) 4.112 1.559 ( -2.121 0.000 0.000) 2.121 1.638 ( -7.078 0.000 0.000) 7.078 1.666 ( 2.408 0.000 0.000) 2.408 1.820 ( 4.632 0.000 0.000) 4.632 1.833 ( -3.648 0.000 0.000) 3.648 1.842 ( -0.371 0.000 0.000) 0.371 1.873 ( -0.971 0.000 0.000) 0.971 1.994 ( 0.256 0.000 0.000) 0.256 1.994 ( 0.257 0.000 0.000) 0.257 2.142 ( 6.524 0.000 0.000) 6.524 2.425 ( -6.849 0.000 0.000) 6.849 3.202 ( -1.637 0.000 0.000) 1.637 3.322 ( 1.073 0.000 0.000) 1.073 3.798 ( -0.453 0.000 0.000) 0.453 3.907 ( -1.131 0.000 0.000) 1.131 4.983 ( 4.302 0.000 0.000) 4.302 5.097 ( 2.317 0.000 0.000) 2.317 5.550 ( 1.860 0.000 0.000) 1.860 5.556 ( 2.706 0.000 0.000) 2.706 5.698 ( -2.998 0.000 0.000) 2.998 5.753 ( -3.867 0.000 0.000) 3.867 5.820 ( -3.309 0.000 0.000) 3.309 6.008 ( -9.233 0.000 0.000) 9.233 6.512 ( 0.330 0.000 0.000) 0.330 6.577 ( 0.956 0.000 0.000) 0.956 6.584 ( -1.218 0.000 0.000) 1.218 6.612 ( 0.243 0.000 0.000) 0.243 6.988 ( 2.890 0.000 0.000) 2.890 7.393 ( 2.960 0.000 0.000) 2.960 7.422 ( 1.955 0.000 0.000) 1.955 7.434 ( -5.719 0.000 0.000) 5.719 7.613 ( -1.419 0.000 0.000) 1.419 7.645 ( -1.789 0.000 0.000) 1.789 7.684 ( -3.440 0.000 0.000) 3.440 7.684 ( 6.957 0.000 0.000) 6.957 7.812 ( -0.885 0.000 0.000) 0.885 7.970 ( 3.316 0.000 0.000) 3.316 8.283 ( 4.765 0.000 0.000) 4.765 8.370 ( 0.949 0.000 0.000) 0.949 8.610 ( -3.268 0.000 0.000) 3.268 8.667 ( -1.528 0.000 0.000) 1.528 8.787 ( -0.384 0.000 0.000) 0.384 8.942 ( -5.094 0.000 0.000) 5.094 9.070 ( 3.492 0.000 0.000) 3.492 9.107 ( 3.765 0.000 0.000) 3.765 9.350 ( -1.618 0.000 0.000) 1.618 9.357 ( -2.131 0.000 0.000) 2.131 9.777 ( -0.665 0.000 0.000) 0.665 9.846 ( 2.504 0.000 0.000) 2.504 9.856 ( -2.516 0.000 0.000) 2.516 9.936 ( 0.628 0.000 0.000) 0.628 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 14.520 0.000 0.000) 14.520 0.905 ( 14.633 0.000 0.000) 14.633 0.930 ( 0.771 0.000 0.000) 0.771 0.958 ( 8.449 0.000 0.000) 8.449 1.047 ( 2.959 0.000 0.000) 2.959 1.129 ( -6.158 0.000 0.000) 6.158 1.352 ( -5.400 0.000 0.000) 5.400 1.353 ( -3.965 0.000 0.000) 3.965 1.483 ( -2.846 0.000 0.000) 2.846 1.519 ( -2.234 0.000 0.000) 2.234 1.610 ( 3.936 0.000 0.000) 3.936 1.679 ( -1.786 0.000 0.000) 1.786 1.830 ( 2.665 0.000 0.000) 2.665 1.839 ( 0.171 0.000 0.000) 0.171 1.851 ( -0.907 0.000 0.000) 0.907 1.882 ( -0.113 0.000 0.000) 0.113 1.999 ( 0.127 0.000 0.000) 0.127 1.999 ( 0.127 0.000 0.000) 0.127 2.240 ( 2.289 0.000 0.000) 2.289 2.289 ( -4.042 0.000 0.000) 4.042 3.201 ( 2.270 0.000 0.000) 2.270 3.286 ( -4.108 0.000 0.000) 4.108 3.815 ( 2.064 0.000 0.000) 2.064 3.868 ( -2.349 0.000 0.000) 2.349 5.091 ( 4.604 0.000 0.000) 4.604 5.140 ( 0.538 0.000 0.000) 0.538 5.621 ( 4.684 0.000 0.000) 4.684 5.628 ( 3.635 0.000 0.000) 3.635 5.635 ( -1.614 0.000 0.000) 1.614 5.660 ( -3.620 0.000 0.000) 3.620 5.733 ( -3.993 0.000 0.000) 3.993 5.793 ( -9.016 0.000 0.000) 9.016 6.526 ( 0.978 0.000 0.000) 0.978 6.553 ( -1.472 0.000 0.000) 1.472 6.599 ( 0.926 0.000 0.000) 0.926 6.613 ( -0.258 0.000 0.000) 0.258 7.096 ( 6.930 0.000 0.000) 6.930 7.272 ( -8.493 0.000 0.000) 8.493 7.467 ( 3.005 0.000 0.000) 3.005 7.472 ( 2.149 0.000 0.000) 2.149 7.576 ( -1.493 0.000 0.000) 1.493 7.593 ( -2.643 0.000 0.000) 2.643 7.635 ( -0.334 0.000 0.000) 0.334 7.669 ( -3.071 0.000 0.000) 3.071 7.950 ( 6.844 0.000 0.000) 6.844 8.018 ( 0.235 0.000 0.000) 0.235 8.413 ( 3.184 0.000 0.000) 3.184 8.421 ( 7.357 0.000 0.000) 7.357 8.518 ( -4.061 0.000 0.000) 4.061 8.600 ( -5.440 0.000 0.000) 5.440 8.783 ( 0.353 0.000 0.000) 0.353 8.827 ( -4.248 0.000 0.000) 4.248 9.172 ( 5.357 0.000 0.000) 5.357 9.198 ( 4.351 0.000 0.000) 4.351 9.284 ( -4.294 0.000 0.000) 4.294 9.291 ( -3.756 0.000 0.000) 3.756 9.773 ( 0.505 0.000 0.000) 0.505 9.802 ( -2.128 0.000 0.000) 2.128 9.901 ( 2.244 0.000 0.000) 2.244 9.935 ( -0.774 0.000 0.000) 0.774 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 0.000 16.810 0.000) 16.810 0.343 ( 0.000 19.334 0.000) 19.334 0.713 ( 0.000 35.272 0.000) 35.272 0.917 ( 0.000 5.851 0.000) 5.851 0.943 ( 0.000 8.454 0.000) 8.454 1.321 ( 0.000 -0.227 0.000) 0.227 1.462 ( 0.000 0.459 0.000) 0.459 1.507 ( 0.000 4.208 0.000) 4.208 1.568 ( 0.000 3.067 0.000) 3.067 1.574 ( 0.000 -2.859 0.000) 2.859 1.690 ( 0.000 8.214 0.000) 8.214 1.719 ( 0.000 0.335 0.000) 0.335 1.820 ( 0.000 9.015 0.000) 9.015 1.843 ( 0.000 -2.642 0.000) 2.642 1.894 ( 0.000 2.974 0.000) 2.974 1.980 ( 0.000 9.757 0.000) 9.757 2.108 ( 0.000 10.599 0.000) 10.599 2.114 ( 0.000 11.734 0.000) 11.734 2.149 ( 0.000 11.929 0.000) 11.929 2.486 ( 0.000 1.003 0.000) 1.003 3.205 ( 0.000 1.426 0.000) 1.426 3.313 ( 0.000 2.294 0.000) 2.294 3.793 ( 0.000 -1.703 0.000) 1.703 3.907 ( 0.000 -1.286 0.000) 1.286 5.283 ( 0.000 -3.804 0.000) 3.804 5.462 ( 0.000 31.046 0.000) 31.046 5.492 ( 0.000 -2.382 0.000) 2.382 5.824 ( 0.000 -3.320 0.000) 3.320 5.948 ( 0.000 19.910 0.000) 19.910 5.988 ( 0.000 17.156 0.000) 17.156 6.130 ( 0.000 2.769 0.000) 2.769 6.583 ( 0.000 9.549 0.000) 9.549 6.648 ( 0.000 3.828 0.000) 3.828 6.654 ( 0.000 5.279 0.000) 5.279 6.658 ( 0.000 9.291 0.000) 9.291 6.856 ( 0.000 1.375 0.000) 1.375 6.959 ( 0.000 0.158 0.000) 0.158 7.217 ( 0.000 -2.902 0.000) 2.902 7.410 ( 0.000 1.249 0.000) 1.249 7.513 ( 0.000 0.952 0.000) 0.952 7.569 ( 0.000 0.901 0.000) 0.901 7.586 ( 0.000 -3.845 0.000) 3.845 7.629 ( 0.000 -3.587 0.000) 3.587 7.728 ( 0.000 -0.437 0.000) 0.437 7.859 ( 0.000 -0.059 0.000) 0.059 8.086 ( 0.000 0.348 0.000) 0.348 8.210 ( 0.000 -1.349 0.000) 1.349 8.421 ( 0.000 0.040 0.000) 0.040 8.619 ( 0.000 -2.572 0.000) 2.572 8.642 ( 0.000 -3.496 0.000) 3.496 8.779 ( 0.000 -1.253 0.000) 1.253 8.918 ( 0.000 4.223 0.000) 4.223 9.008 ( 0.000 -3.407 0.000) 3.407 9.020 ( 0.000 -1.036 0.000) 1.036 9.286 ( 0.000 -4.965 0.000) 4.965 9.340 ( 0.000 -4.129 0.000) 4.129 9.775 ( 0.000 -1.662 0.000) 1.662 9.785 ( 0.000 -2.244 0.000) 2.244 9.872 ( 0.000 -2.395 0.000) 2.395 9.873 ( 0.000 -2.276 0.000) 2.276 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 11.856 5.315 0.000) 12.992 0.461 ( 10.851 9.030 0.000) 14.117 0.878 ( -0.136 3.687 0.000) 3.690 1.021 ( 16.533 24.938 0.000) 29.921 1.057 ( 7.395 10.674 0.000) 12.985 1.280 ( -3.606 1.857 0.000) 4.056 1.462 ( -0.587 1.299 0.000) 1.425 1.486 ( -6.568 1.562 0.000) 6.751 1.515 ( 1.506 2.214 0.000) 2.677 1.577 ( 0.550 0.895 0.000) 1.051 1.685 ( -2.933 3.653 0.000) 4.684 1.723 ( 2.410 5.548 0.000) 6.049 1.797 ( -3.467 -1.421 0.000) 3.747 1.822 ( -1.494 0.912 0.000) 1.750 1.886 ( -0.039 6.462 0.000) 6.463 1.932 ( -2.694 6.375 0.000) 6.920 2.119 ( 0.939 10.891 0.000) 10.931 2.122 ( 0.523 11.808 0.000) 11.820 2.258 ( 7.290 11.288 0.000) 13.437 2.491 ( 0.209 8.068 0.000) 8.071 3.196 ( -0.744 0.834 0.000) 1.117 3.321 ( -0.244 0.528 0.000) 0.582 3.781 ( -0.396 -1.644 0.000) 1.691 3.897 ( -1.018 -1.134 0.000) 1.524 5.266 ( -0.741 1.070 0.000) 1.301 5.410 ( -1.932 18.634 0.000) 18.733 5.547 ( 1.989 5.209 0.000) 5.576 5.760 ( -5.109 -2.418 0.000) 5.653 5.915 ( -3.377 19.127 0.000) 19.423 5.969 ( -3.587 19.875 0.000) 20.196 6.041 ( -5.932 6.836 0.000) 9.051 6.151 ( -26.518 39.969 0.000) 47.966 6.600 ( -0.558 8.398 0.000) 8.417 6.629 ( -1.097 4.117 0.000) 4.261 6.666 ( 0.577 8.804 0.000) 8.823 6.670 ( 0.782 5.733 0.000) 5.786 6.975 ( 2.003 -0.934 0.000) 2.210 7.289 ( 0.432 -7.189 0.000) 7.202 7.431 ( 1.752 1.030 0.000) 2.032 7.485 ( -2.402 2.497 0.000) 3.464 7.559 ( -0.604 -3.794 0.000) 3.842 7.611 ( -1.238 -3.229 0.000) 3.459 7.681 ( 6.025 -0.367 0.000) 6.037 7.683 ( -3.364 -0.181 0.000) 3.369 7.810 ( -1.327 -0.281 0.000) 1.356 7.987 ( -1.079 0.683 0.000) 1.277 8.281 ( 5.587 -0.268 0.000) 5.594 8.395 ( 0.496 1.981 0.000) 2.042 8.592 ( -2.480 -1.613 0.000) 2.958 8.646 ( -0.768 -2.057 0.000) 2.196 8.771 ( -0.534 -1.475 0.000) 1.569 8.938 ( -5.022 -1.021 0.000) 5.125 9.052 ( 2.950 -1.710 0.000) 3.410 9.071 ( 5.979 -2.299 0.000) 6.406 9.291 ( -0.794 -5.601 0.000) 5.657 9.319 ( -1.880 -3.843 0.000) 4.278 9.755 ( -0.734 -2.016 0.000) 2.146 9.823 ( 2.304 -2.244 0.000) 3.216 9.831 ( -2.332 -2.312 0.000) 3.284 9.901 ( 0.820 -3.016 0.000) 3.125 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 13.109 -7.205 0.000) 14.958 0.713 ( 9.876 0.952 0.000) 9.922 0.936 ( 4.568 0.009 0.000) 4.568 1.077 ( -8.194 1.750 0.000) 8.379 1.192 ( 1.499 12.357 0.000) 12.448 1.236 ( -3.376 12.946 0.000) 13.379 1.373 ( 1.017 1.391 0.000) 1.723 1.495 ( -5.082 0.729 0.000) 5.134 1.564 ( 9.632 11.599 0.000) 15.077 1.603 ( 1.513 3.933 0.000) 4.214 1.630 ( -0.125 6.499 0.000) 6.500 1.742 ( -1.088 -1.398 0.000) 1.771 1.747 ( -0.585 5.216 0.000) 5.249 1.752 ( -5.148 -1.249 0.000) 5.297 1.886 ( 0.073 3.714 0.000) 3.715 1.894 ( -0.778 1.835 0.000) 1.993 2.133 ( 0.444 11.790 0.000) 11.798 2.136 ( 0.343 11.617 0.000) 11.622 2.403 ( 5.338 14.339 0.000) 15.300 2.479 ( -1.686 15.799 0.000) 15.889 3.198 ( 1.691 0.146 0.000) 1.698 3.271 ( -3.988 -0.940 0.000) 4.097 3.802 ( 2.278 -1.352 0.000) 2.649 3.859 ( -2.421 -1.040 0.000) 2.635 5.296 ( 3.666 7.921 0.000) 8.728 5.376 ( -2.260 15.225 0.000) 15.391 5.566 ( 0.821 -1.844 0.000) 2.019 5.636 ( -5.367 -1.307 0.000) 5.524 5.795 ( -3.917 23.902 0.000) 24.221 5.808 ( -4.241 15.209 0.000) 15.789 5.968 ( -0.814 19.245 0.000) 19.262 5.980 ( -1.611 21.151 0.000) 21.213 6.597 ( 0.123 6.775 0.000) 6.776 6.607 ( -0.812 5.029 0.000) 5.094 6.679 ( 0.486 7.881 0.000) 7.896 6.682 ( 0.232 6.871 0.000) 6.875 7.061 ( 5.764 -3.043 0.000) 6.518 7.207 ( -6.714 -5.658 0.000) 8.780 7.477 ( 2.067 0.615 0.000) 2.156 7.485 ( 1.595 1.555 0.000) 2.228 7.550 ( -0.531 -2.321 0.000) 2.381 7.571 ( -2.173 -2.185 0.000) 3.081 7.628 ( -0.597 -0.654 0.000) 0.885 7.664 ( -3.184 -0.674 0.000) 3.254 7.919 ( 5.821 -3.059 0.000) 6.575 7.986 ( -0.666 -3.201 0.000) 3.270 8.433 ( 2.797 1.833 0.000) 3.344 8.434 ( 7.713 1.161 0.000) 7.800 8.520 ( -3.337 0.291 0.000) 3.350 8.598 ( -4.433 -0.418 0.000) 4.453 8.766 ( 0.450 -1.591 0.000) 1.654 8.818 ( -4.726 -0.895 0.000) 4.810 9.141 ( 4.721 -3.174 0.000) 5.689 9.176 ( 4.154 -2.265 0.000) 4.732 9.239 ( -3.705 -4.563 0.000) 5.877 9.260 ( -3.371 -3.127 0.000) 4.599 9.751 ( 0.511 -2.042 0.000) 2.105 9.780 ( -2.064 -2.097 0.000) 2.942 9.873 ( 2.015 -2.790 0.000) 3.441 9.903 ( -0.682 -3.097 0.000) 3.172 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 0.000 15.515 0.000) 15.515 0.742 ( 0.000 20.790 0.000) 20.790 1.071 ( 0.000 9.708 0.000) 9.708 1.075 ( 0.000 4.748 0.000) 4.748 1.261 ( 0.000 14.109 0.000) 14.109 1.331 ( 0.000 1.528 0.000) 1.528 1.566 ( 0.000 14.454 0.000) 14.454 1.578 ( 0.000 4.121 0.000) 4.121 1.619 ( 0.000 7.107 0.000) 7.107 1.648 ( 0.000 5.563 0.000) 5.563 1.736 ( 0.000 2.569 0.000) 2.569 1.836 ( 0.000 3.157 0.000) 3.157 1.849 ( 0.000 0.616 0.000) 0.616 1.991 ( 0.000 13.384 0.000) 13.384 2.067 ( 0.000 14.766 0.000) 14.766 2.221 ( 0.000 13.975 0.000) 13.975 2.345 ( 0.000 12.510 0.000) 12.510 2.392 ( 0.000 15.145 0.000) 15.145 2.427 ( 0.000 16.309 0.000) 16.309 2.642 ( 0.000 14.268 0.000) 14.268 3.254 ( 0.000 3.905 0.000) 3.905 3.388 ( 0.000 5.553 0.000) 5.553 3.742 ( 0.000 -3.539 0.000) 3.539 3.866 ( 0.000 -3.026 0.000) 3.026 5.224 ( 0.000 -1.647 0.000) 1.647 5.446 ( 0.000 -2.139 0.000) 2.139 5.742 ( 0.000 -4.849 0.000) 4.849 5.796 ( 0.000 1.025 0.000) 1.025 6.346 ( 0.000 16.378 0.000) 16.378 6.400 ( 0.000 21.521 0.000) 21.521 6.419 ( 0.000 23.605 0.000) 23.605 6.748 ( 0.000 7.908 0.000) 7.908 6.783 ( 0.000 7.396 0.000) 7.396 6.824 ( 0.000 14.057 0.000) 14.057 6.885 ( 0.000 1.949 0.000) 1.949 6.930 ( 0.000 18.212 0.000) 18.212 6.989 ( 0.000 3.686 0.000) 3.686 7.138 ( 0.000 -4.761 0.000) 4.761 7.454 ( 0.000 3.250 0.000) 3.250 7.504 ( 0.000 -4.131 0.000) 4.131 7.532 ( 0.000 0.808 0.000) 0.808 7.533 ( 0.000 -6.134 0.000) 6.134 7.622 ( 0.000 5.712 0.000) 5.712 7.718 ( 0.000 -0.592 0.000) 0.592 7.851 ( 0.000 -0.942 0.000) 0.942 8.071 ( 0.000 -1.880 0.000) 1.880 8.172 ( 0.000 -2.224 0.000) 2.224 8.433 ( 0.000 1.358 0.000) 1.358 8.556 ( 0.000 -3.592 0.000) 3.592 8.568 ( 0.000 -3.808 0.000) 3.808 8.748 ( 0.000 -1.796 0.000) 1.796 8.905 ( 0.000 -6.185 0.000) 6.185 8.996 ( 0.000 -1.351 0.000) 1.351 9.018 ( 0.000 4.919 0.000) 4.919 9.161 ( 0.000 -7.348 0.000) 7.348 9.226 ( 0.000 -7.403 0.000) 7.403 9.733 ( 0.000 -2.738 0.000) 2.738 9.737 ( 0.000 -1.871 0.000) 1.871 9.811 ( 0.000 -3.549 0.000) 3.549 9.812 ( 0.000 -3.705 0.000) 3.705 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -2.922 20.388 0.000) 20.596 0.691 ( 4.611 13.385 0.000) 14.157 0.973 ( -2.500 5.349 0.000) 5.904 1.234 ( 8.018 7.228 0.000) 10.795 1.237 ( -3.583 1.738 0.000) 3.982 1.430 ( 4.740 1.835 0.000) 5.083 1.553 ( -4.267 5.570 0.000) 7.016 1.573 ( -2.557 11.686 0.000) 11.962 1.639 ( -0.055 5.411 0.000) 5.411 1.658 ( 6.284 12.272 0.000) 13.787 1.766 ( 3.473 8.339 0.000) 9.033 1.784 ( -2.122 0.172 0.000) 2.129 1.799 ( -2.984 3.197 0.000) 4.373 1.942 ( -3.580 13.372 0.000) 13.843 2.111 ( 1.977 14.102 0.000) 14.240 2.134 ( -5.832 13.115 0.000) 14.353 2.366 ( 1.793 13.317 0.000) 13.437 2.396 ( 0.298 14.901 0.000) 14.904 2.537 ( 8.119 16.599 0.000) 18.478 2.729 ( 5.978 15.273 0.000) 16.402 3.242 ( -0.945 4.079 0.000) 4.187 3.364 ( -2.542 4.261 0.000) 4.962 3.734 ( -0.114 -3.236 0.000) 3.238 3.859 ( -0.798 -2.890 0.000) 2.999 5.245 ( 2.219 -0.989 0.000) 2.430 5.454 ( 0.850 -1.732 0.000) 1.929 5.693 ( -4.000 -3.907 0.000) 5.591 5.714 ( -6.893 0.327 0.000) 6.901 6.358 ( -3.479 21.782 0.000) 22.058 6.362 ( 1.221 17.611 0.000) 17.654 6.418 ( 0.099 25.912 0.000) 25.912 6.675 ( -15.281 15.206 0.000) 21.558 6.722 ( -1.110 5.704 0.000) 5.811 6.804 ( -1.800 12.209 0.000) 12.341 6.824 ( 2.471 10.226 0.000) 10.521 6.912 ( -0.583 16.074 0.000) 16.084 6.983 ( 0.277 2.807 0.000) 2.820 7.163 ( -0.001 -4.179 0.000) 4.179 7.464 ( 0.833 1.674 0.000) 1.870 7.493 ( -0.121 -3.011 0.000) 3.013 7.521 ( -0.941 1.099 0.000) 1.447 7.532 ( -0.035 -4.206 0.000) 4.206 7.674 ( -3.407 -0.858 0.000) 3.513 7.683 ( 2.575 1.573 0.000) 3.018 7.796 ( -1.934 -1.302 0.000) 2.331 7.987 ( -4.538 -0.195 0.000) 4.542 8.274 ( 7.714 -0.210 0.000) 7.717 8.437 ( 1.111 2.324 0.000) 2.576 8.553 ( -0.397 -2.329 0.000) 2.363 8.591 ( 0.574 -3.466 0.000) 3.513 8.736 ( -0.842 -1.808 0.000) 1.995 8.880 ( -2.704 -4.827 0.000) 5.533 9.008 ( 1.219 -2.712 0.000) 2.973 9.057 ( 2.683 0.382 0.000) 2.710 9.154 ( -0.792 -7.382 0.000) 7.424 9.213 ( -1.173 -6.816 0.000) 6.917 9.710 ( -0.794 -2.256 0.000) 2.392 9.769 ( 1.617 -2.970 0.000) 3.382 9.776 ( -2.011 -3.122 0.000) 3.714 9.829 ( 0.317 -4.229 0.000) 4.241 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 7.013 9.990 0.000) 12.206 0.803 ( 2.407 8.398 0.000) 8.736 0.972 ( 3.014 3.151 0.000) 4.360 1.111 ( -7.463 2.257 0.000) 7.797 1.394 ( 5.694 3.739 0.000) 6.812 1.431 ( -2.923 7.784 0.000) 8.315 1.459 ( -2.627 3.407 0.000) 4.302 1.483 ( -3.400 5.401 0.000) 6.382 1.671 ( 2.352 4.668 0.000) 5.227 1.728 ( -2.929 3.845 0.000) 4.834 1.779 ( 3.908 9.925 0.000) 10.667 1.794 ( 2.195 5.657 0.000) 6.068 1.854 ( 0.324 9.832 0.000) 9.837 1.864 ( -3.278 9.158 0.000) 9.727 2.055 ( 1.091 14.924 0.000) 14.963 2.115 ( -1.843 15.156 0.000) 15.267 2.399 ( 0.774 14.275 0.000) 14.296 2.402 ( 0.223 14.672 0.000) 14.674 2.728 ( 8.076 18.061 0.000) 19.784 2.818 ( 0.677 18.023 0.000) 18.036 3.226 ( 0.075 3.217 0.000) 3.218 3.276 ( -4.445 2.259 0.000) 4.986 3.762 ( 2.612 -2.810 0.000) 3.837 3.823 ( -2.472 -2.712 0.000) 3.669 5.337 ( 6.255 -0.213 0.000) 6.258 5.473 ( -1.563 -1.133 0.000) 1.930 5.549 ( -4.665 -0.476 0.000) 4.689 5.594 ( -4.493 -2.278 0.000) 5.037 6.304 ( -0.223 26.009 0.000) 26.010 6.382 ( -3.458 27.992 0.000) 28.205 6.399 ( -4.127 17.990 0.000) 18.457 6.411 ( -0.695 23.284 0.000) 23.294 6.717 ( 0.813 5.601 0.000) 5.659 6.755 ( -2.353 8.204 0.000) 8.535 6.874 ( 1.905 13.286 0.000) 13.422 6.901 ( -0.662 15.247 0.000) 15.262 7.022 ( 3.287 0.687 0.000) 3.358 7.111 ( -4.108 -2.157 0.000) 4.640 7.485 ( 0.904 -2.096 0.000) 2.282 7.495 ( -0.131 -3.096 0.000) 3.098 7.525 ( 1.149 2.375 0.000) 2.638 7.531 ( 0.059 0.417 0.000) 0.421 7.608 ( -1.497 -1.584 0.000) 2.180 7.640 ( -3.493 -1.510 0.000) 3.806 7.848 ( 3.752 -3.177 0.000) 4.916 7.915 ( -2.625 -2.803 0.000) 3.840 8.454 ( 7.413 0.558 0.000) 7.434 8.477 ( 2.225 2.498 0.000) 3.345 8.532 ( -1.378 0.803 0.000) 1.595 8.575 ( -2.309 -2.003 0.000) 3.057 8.729 ( 0.821 -1.833 0.000) 2.008 8.793 ( -4.541 -1.713 0.000) 4.854 9.051 ( 2.577 -5.888 0.000) 6.427 9.099 ( -0.377 -7.508 0.000) 7.518 9.134 ( 0.516 -3.489 0.000) 3.527 9.176 ( -2.119 -5.187 0.000) 5.603 9.705 ( 0.490 -2.271 0.000) 2.323 9.732 ( -1.811 -2.556 0.000) 3.133 9.802 ( 1.375 -4.093 0.000) 4.318 9.825 ( -0.651 -4.593 0.000) 4.639 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.000 11.204 0.000) 11.204 1.114 ( 0.000 16.020 0.000) 16.020 1.160 ( 0.000 4.642 0.000) 4.642 1.294 ( 0.000 12.914 0.000) 12.914 1.363 ( 0.000 2.422 0.000) 2.422 1.397 ( 0.000 6.075 0.000) 6.075 1.693 ( 0.000 0.757 0.000) 0.757 1.708 ( 0.000 8.025 0.000) 8.025 1.770 ( 0.000 8.040 0.000) 8.040 1.782 ( 0.000 7.789 0.000) 7.789 1.805 ( 0.000 -2.508 0.000) 2.508 1.845 ( 0.000 4.442 0.000) 4.442 2.138 ( 0.000 22.440 0.000) 22.440 2.298 ( 0.000 15.059 0.000) 15.059 2.342 ( 0.000 12.192 0.000) 12.192 2.486 ( 0.000 12.140 0.000) 12.140 2.564 ( 0.000 9.737 0.000) 9.737 2.646 ( 0.000 9.940 0.000) 9.940 2.784 ( 0.000 20.578 0.000) 20.578 2.981 ( 0.000 19.056 0.000) 19.056 3.377 ( 0.000 9.306 0.000) 9.306 3.536 ( 0.000 9.636 0.000) 9.636 3.657 ( 0.000 -4.758 0.000) 4.758 3.787 ( 0.000 -5.062 0.000) 5.062 5.225 ( 0.000 1.685 0.000) 1.685 5.416 ( 0.000 -0.806 0.000) 0.806 5.646 ( 0.000 -4.808 0.000) 4.808 5.727 ( 0.000 -5.530 0.000) 5.530 6.572 ( 0.000 7.344 0.000) 7.344 6.576 ( 0.000 -0.323 0.000) 0.323 6.716 ( 0.000 5.434 0.000) 5.434 6.908 ( 0.000 0.701 0.000) 0.701 6.932 ( 0.000 7.425 0.000) 7.425 6.995 ( 0.000 -2.984 0.000) 2.984 7.015 ( 0.000 11.122 0.000) 11.122 7.143 ( 0.000 11.345 0.000) 11.345 7.154 ( 0.000 16.307 0.000) 16.307 7.334 ( 0.000 19.448 0.000) 19.448 7.396 ( 0.000 -7.703 0.000) 7.703 7.434 ( 0.000 -2.316 0.000) 2.316 7.523 ( 0.000 3.411 0.000) 3.411 7.538 ( 0.000 -0.293 0.000) 0.293 7.703 ( 0.000 -1.008 0.000) 1.008 7.783 ( 0.000 3.149 0.000) 3.149 7.862 ( 0.000 8.987 0.000) 8.987 8.033 ( 0.000 -1.145 0.000) 1.145 8.143 ( 0.000 -0.212 0.000) 0.212 8.474 ( 0.000 2.777 0.000) 2.777 8.489 ( 0.000 -3.079 0.000) 3.079 8.499 ( 0.000 -3.236 0.000) 3.236 8.717 ( 0.000 -1.099 0.000) 1.099 8.767 ( 0.000 -7.658 0.000) 7.658 8.967 ( 0.000 -1.949 0.000) 1.949 9.022 ( 0.000 -6.414 0.000) 6.414 9.062 ( 0.000 -8.897 0.000) 8.897 9.107 ( 0.000 3.840 0.000) 3.840 9.697 ( 0.000 -0.539 0.000) 0.539 9.717 ( 0.000 0.291 0.000) 0.291 9.740 ( 0.000 -3.300 0.000) 3.300 9.751 ( 0.000 -2.181 0.000) 2.181 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 3.094 10.941 0.000) 11.370 1.040 ( -4.802 17.854 0.000) 18.488 1.085 ( -3.926 6.565 0.000) 7.649 1.275 ( -4.245 2.740 0.000) 5.052 1.381 ( 5.022 8.550 0.000) 9.916 1.470 ( 2.142 3.669 0.000) 4.249 1.686 ( -5.238 6.782 0.000) 8.569 1.694 ( -0.999 2.439 0.000) 2.636 1.750 ( 0.933 5.178 0.000) 5.262 1.794 ( 2.496 7.429 0.000) 7.837 1.817 ( 1.938 4.707 0.000) 5.090 1.849 ( -0.031 3.969 0.000) 3.970 2.175 ( 2.987 21.203 0.000) 21.412 2.248 ( -4.087 16.033 0.000) 16.546 2.365 ( 1.286 10.822 0.000) 10.898 2.389 ( -6.568 12.044 0.000) 13.718 2.596 ( 2.639 9.639 0.000) 9.994 2.648 ( 0.274 10.018 0.000) 10.022 2.894 ( 8.188 19.831 0.000) 21.455 3.052 ( 5.238 16.980 0.000) 17.770 3.369 ( -0.861 9.218 0.000) 9.258 3.497 ( -3.663 9.324 0.000) 10.018 3.660 ( 0.631 -3.846 0.000) 3.897 3.782 ( -0.566 -4.832 0.000) 4.866 5.250 ( 2.386 1.503 0.000) 2.820 5.427 ( 0.953 -0.845 0.000) 1.273 5.619 ( -2.279 -3.553 0.000) 4.221 5.664 ( -5.309 -3.795 0.000) 6.526 6.534 ( -2.257 -0.716 0.000) 2.368 6.584 ( 0.660 5.690 0.000) 5.728 6.763 ( 2.560 6.442 0.000) 6.932 6.841 ( -4.662 4.175 0.000) 6.259 6.906 ( -1.813 11.097 0.000) 11.244 6.951 ( -3.601 0.004 0.000) 3.601 7.047 ( 1.763 7.875 0.000) 8.070 7.153 ( 1.045 16.852 0.000) 16.884 7.159 ( 1.042 10.873 0.000) 10.923 7.330 ( -1.455 18.583 0.000) 18.640 7.394 ( 0.008 -6.647 0.000) 6.647 7.438 ( 0.800 -2.765 0.000) 2.878 7.524 ( -0.729 -0.823 0.000) 1.099 7.528 ( 0.185 1.684 0.000) 1.694 7.649 ( -4.234 -1.578 0.000) 4.518 7.746 ( -5.462 -1.589 0.000) 5.689 7.824 ( 1.404 11.227 0.000) 11.314 8.003 ( -2.395 2.202 0.000) 3.253 8.278 ( 8.898 0.413 0.000) 8.907 8.479 ( 0.975 0.642 0.000) 1.168 8.503 ( 1.167 -2.781 0.000) 3.015 8.532 ( 1.718 -0.894 0.000) 1.937 8.713 ( -0.316 -0.511 0.000) 0.601 8.767 ( -0.201 -6.445 0.000) 6.448 8.951 ( -1.274 -3.056 0.000) 3.311 8.968 ( -3.146 -7.584 0.000) 8.210 9.067 ( 0.406 -7.705 0.000) 7.716 9.123 ( 0.116 2.316 0.000) 2.319 9.685 ( -0.638 0.094 0.000) 0.645 9.723 ( -1.205 -1.948 0.000) 2.290 9.725 ( 0.359 -1.024 0.000) 1.085 9.751 ( -0.240 -3.212 0.000) 3.221 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.232 14.638 0.000) 14.640 1.003 ( -0.525 10.893 0.000) 10.906 1.052 ( 3.810 5.237 0.000) 6.477 1.170 ( -5.496 3.960 0.000) 6.774 1.467 ( 2.392 4.656 0.000) 5.234 1.487 ( -0.071 3.089 0.000) 3.090 1.588 ( -1.365 8.511 0.000) 8.619 1.634 ( -3.817 7.062 0.000) 8.027 1.784 ( 1.542 6.232 0.000) 6.420 1.816 ( -1.240 5.014 0.000) 5.165 1.882 ( 2.890 5.103 0.000) 5.865 1.882 ( 2.954 4.898 0.000) 5.720 2.159 ( -2.805 17.358 0.000) 17.583 2.178 ( -3.661 18.292 0.000) 18.655 2.325 ( 2.073 11.169 0.000) 11.360 2.371 ( -1.058 10.091 0.000) 10.147 2.647 ( 1.459 10.261 0.000) 10.364 2.657 ( 0.296 10.425 0.000) 10.430 3.085 ( 7.967 18.043 0.000) 19.724 3.151 ( 2.470 15.278 0.000) 15.477 3.341 ( -1.099 8.807 0.000) 8.875 3.387 ( -5.397 9.513 0.000) 10.938 3.697 ( 2.592 -3.361 0.000) 4.244 3.753 ( -2.140 -4.104 0.000) 4.629 5.335 ( 5.262 0.257 0.000) 5.268 5.438 ( -1.683 -1.897 0.000) 2.536 5.543 ( -3.333 0.075 0.000) 3.334 5.560 ( -2.700 -1.052 0.000) 2.897 6.515 ( 0.838 -0.546 0.000) 1.001 6.564 ( -2.716 0.818 0.000) 2.836 6.787 ( 0.792 12.362 0.000) 12.387 6.806 ( 1.817 8.444 0.000) 8.638 6.848 ( -3.299 12.335 0.000) 12.768 6.867 ( -3.508 3.873 0.000) 5.226 7.099 ( 3.352 6.201 0.000) 7.049 7.162 ( -1.463 7.964 0.000) 8.097 7.209 ( 3.187 17.944 0.000) 18.225 7.273 ( -2.922 18.729 0.000) 18.956 7.404 ( 1.015 -4.775 0.000) 4.882 7.435 ( -1.384 -2.852 0.000) 3.170 7.527 ( -0.049 -1.683 0.000) 1.684 7.539 ( 0.495 -2.675 0.000) 2.721 7.569 ( -0.563 -1.237 0.000) 1.360 7.634 ( -4.291 -0.612 0.000) 4.334 7.878 ( 2.947 8.378 0.000) 8.881 7.943 ( -2.921 6.324 0.000) 6.966 8.445 ( 5.318 -1.709 0.000) 5.586 8.498 ( -0.046 -2.468 0.000) 2.468 8.535 ( 1.580 -0.822 0.000) 1.781 8.553 ( 0.164 2.082 0.000) 2.089 8.713 ( 0.716 0.220 0.000) 0.749 8.747 ( -1.739 -3.169 0.000) 3.615 8.921 ( -0.968 -9.532 0.000) 9.581 8.923 ( -0.966 -6.675 0.000) 6.745 9.080 ( 0.816 -4.201 0.000) 4.279 9.105 ( -1.361 0.002 0.000) 1.361 9.679 ( 0.262 0.053 0.000) 0.267 9.696 ( -1.143 -0.705 0.000) 1.343 9.731 ( 0.328 -2.599 0.000) 2.620 9.741 ( -0.531 -3.452 0.000) 3.492 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 9.965 0.000) 9.965 1.264 ( 0.000 6.069 0.000) 6.069 1.327 ( 0.000 7.038 0.000) 7.038 1.422 ( 0.000 3.932 0.000) 3.932 1.534 ( 0.000 10.406 0.000) 10.406 1.584 ( 0.000 11.199 0.000) 11.199 1.706 ( 0.000 0.774 0.000) 0.774 1.756 ( 0.000 -1.110 0.000) 1.110 1.883 ( 0.000 8.170 0.000) 8.170 1.926 ( 0.000 8.183 0.000) 8.183 1.931 ( 0.000 4.572 0.000) 4.572 1.944 ( 0.000 8.907 0.000) 8.907 2.476 ( 0.000 11.598 0.000) 11.598 2.497 ( 0.000 3.351 0.000) 3.351 2.530 ( 0.000 8.283 0.000) 8.283 2.632 ( 0.000 1.516 0.000) 1.516 2.739 ( 0.000 8.454 0.000) 8.454 2.803 ( 0.000 7.669 0.000) 7.669 3.204 ( 0.000 20.010 0.000) 20.010 3.285 ( 0.000 7.108 0.000) 7.108 3.610 ( 0.000 13.702 0.000) 13.702 3.625 ( 0.000 5.815 0.000) 5.815 3.685 ( 0.000 -3.865 0.000) 3.865 3.751 ( 0.000 11.912 0.000) 11.912 5.282 ( 0.000 3.808 0.000) 3.808 5.415 ( 0.000 0.704 0.000) 0.704 5.562 ( 0.000 -3.666 0.000) 3.666 5.619 ( 0.000 -5.169 0.000) 5.169 6.527 ( 0.000 -3.444 0.000) 3.444 6.665 ( 0.000 2.948 0.000) 2.948 6.716 ( 0.000 -3.413 0.000) 3.413 6.907 ( 0.000 -4.249 0.000) 4.249 6.919 ( 0.000 0.602 0.000) 0.602 7.044 ( 0.000 4.087 0.000) 4.087 7.146 ( 0.000 4.488 0.000) 4.488 7.244 ( 0.000 -7.282 0.000) 7.282 7.366 ( 0.000 9.298 0.000) 9.298 7.366 ( 0.000 -2.636 0.000) 2.636 7.479 ( 0.000 13.738 0.000) 13.738 7.510 ( 0.000 -2.980 0.000) 2.980 7.554 ( 0.000 -1.461 0.000) 1.461 7.647 ( 0.000 9.796 0.000) 9.796 7.685 ( 0.000 -0.380 0.000) 0.380 7.781 ( 0.000 1.041 0.000) 1.041 8.057 ( 0.000 4.114 0.000) 4.114 8.111 ( 0.000 11.747 0.000) 11.747 8.168 ( 0.000 2.278 0.000) 2.278 8.438 ( 0.000 -2.164 0.000) 2.164 8.445 ( 0.000 -2.155 0.000) 2.155 8.527 ( 0.000 2.069 0.000) 2.069 8.620 ( 0.000 -7.097 0.000) 7.097 8.714 ( 0.000 0.874 0.000) 0.874 8.858 ( 0.000 -9.211 0.000) 9.211 8.925 ( 0.000 -3.444 0.000) 3.444 8.946 ( 0.000 -2.890 0.000) 2.890 9.152 ( 0.000 0.369 0.000) 0.369 9.702 ( 0.000 -0.196 0.000) 0.196 9.722 ( 0.000 3.143 0.000) 3.143 9.745 ( 0.000 1.835 0.000) 1.835 9.760 ( 0.000 4.089 0.000) 4.089 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 1.852 9.124 0.000) 9.311 1.230 ( -2.228 8.003 0.000) 8.307 1.303 ( -2.306 8.773 0.000) 9.071 1.355 ( -4.657 5.814 0.000) 7.449 1.547 ( 0.716 7.168 0.000) 7.204 1.575 ( -0.741 5.806 0.000) 5.853 1.743 ( 2.226 3.565 0.000) 4.203 1.762 ( -0.103 2.045 0.000) 2.048 1.880 ( 0.319 7.719 0.000) 7.726 1.929 ( -0.268 4.835 0.000) 4.843 1.955 ( 2.405 8.240 0.000) 8.584 1.963 ( 1.795 9.313 0.000) 9.484 2.475 ( -0.120 8.412 0.000) 8.413 2.479 ( -1.263 4.136 0.000) 4.324 2.533 ( -0.740 8.703 0.000) 8.734 2.581 ( -4.211 7.473 0.000) 8.578 2.748 ( 1.381 6.519 0.000) 6.663 2.792 ( -0.185 5.862 0.000) 5.865 3.268 ( 4.776 15.597 0.000) 16.312 3.305 ( 1.576 4.782 0.000) 5.035 3.576 ( -2.081 9.991 0.000) 10.205 3.646 ( 1.631 7.038 0.000) 7.225 3.713 ( 1.505 1.352 0.000) 2.023 3.721 ( -2.537 12.182 0.000) 12.443 5.298 ( 1.513 3.164 0.000) 3.507 5.422 ( 0.349 0.226 0.000) 0.416 5.560 ( -0.173 -2.372 0.000) 2.379 5.593 ( -2.135 -3.209 0.000) 3.855 6.475 ( -2.825 -3.734 0.000) 4.682 6.631 ( -3.528 0.436 0.000) 3.555 6.776 ( 3.735 -3.157 0.000) 4.890 6.864 ( -1.303 -1.302 0.000) 1.842 6.949 ( 1.125 1.055 0.000) 1.542 7.055 ( 0.751 4.635 0.000) 4.695 7.168 ( 1.788 4.766 0.000) 5.090 7.261 ( 1.623 -6.317 0.000) 6.522 7.344 ( -1.225 4.626 0.000) 4.785 7.390 ( 1.039 0.196 0.000) 1.058 7.413 ( -3.894 7.391 0.000) 8.354 7.483 ( -2.261 -2.857 0.000) 3.643 7.578 ( 0.848 1.504 0.000) 1.727 7.612 ( -3.349 2.074 0.000) 3.940 7.653 ( -1.704 8.889 0.000) 9.051 7.735 ( -3.571 3.990 0.000) 5.355 8.069 ( 0.927 4.396 0.000) 4.493 8.080 ( -0.165 12.316 0.000) 12.317 8.276 ( 6.106 -0.927 0.000) 6.176 8.444 ( -0.189 -2.142 0.000) 2.150 8.451 ( 1.285 -2.302 0.000) 2.636 8.568 ( 3.472 1.325 0.000) 3.717 8.643 ( 1.530 -5.370 0.000) 5.583 8.708 ( -0.183 -0.565 0.000) 0.593 8.849 ( -5.665 -4.095 0.000) 6.991 8.883 ( 0.063 -4.132 0.000) 4.133 8.936 ( 0.913 -5.041 0.000) 5.123 9.152 ( -0.703 -0.146 0.000) 0.718 9.704 ( 0.156 0.470 0.000) 0.495 9.720 ( -0.113 3.467 0.000) 3.469 9.737 ( -0.587 2.052 0.000) 2.134 9.747 ( -1.008 3.595 0.000) 3.734 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 2.258 7.712 0.000) 8.036 1.208 ( 1.059 9.626 0.000) 9.685 1.231 ( -3.489 10.931 0.000) 11.474 1.267 ( -3.416 5.892 0.000) 6.811 1.554 ( 0.077 3.529 0.000) 3.530 1.559 ( -0.523 3.224 0.000) 3.266 1.758 ( 0.316 7.904 0.000) 7.911 1.769 ( -0.032 6.723 0.000) 6.723 1.897 ( 0.933 5.628 0.000) 5.704 1.917 ( -0.817 5.227 0.000) 5.290 2.010 ( 1.953 8.170 0.000) 8.400 2.011 ( 1.845 8.619 0.000) 8.814 2.444 ( -1.349 7.983 0.000) 8.096 2.456 ( -2.033 4.887 0.000) 5.293 2.506 ( -1.101 11.808 0.000) 11.859 2.509 ( -0.830 6.991 0.000) 7.040 2.789 ( 1.577 4.674 0.000) 4.933 2.800 ( 0.396 4.733 0.000) 4.750 3.343 ( 1.716 1.687 0.000) 2.407 3.354 ( 1.759 4.831 0.000) 5.141 3.557 ( 1.310 13.824 0.000) 13.886 3.629 ( -3.933 14.046 0.000) 14.586 3.703 ( 1.654 7.061 0.000) 7.252 3.728 ( -0.256 4.719 0.000) 4.726 5.348 ( 2.961 1.112 0.000) 3.163 5.410 ( -1.954 -0.867 0.000) 2.138 5.552 ( -0.867 0.672 0.000) 1.097 5.553 ( -0.452 0.174 0.000) 0.484 6.452 ( 1.154 -3.881 0.000) 4.049 6.525 ( -5.046 -2.854 0.000) 5.797 6.840 ( 1.900 -2.101 0.000) 2.833 6.859 ( 0.016 -1.180 0.000) 1.180 6.983 ( 2.515 5.386 0.000) 5.944 7.047 ( -2.222 5.933 0.000) 6.335 7.216 ( 2.888 5.705 0.000) 6.394 7.294 ( -3.487 5.108 0.000) 6.185 7.316 ( 3.240 -3.777 0.000) 4.976 7.378 ( 1.240 -0.071 0.000) 1.242 7.385 ( -2.309 -2.171 0.000) 3.170 7.429 ( -2.424 -4.129 0.000) 4.788 7.550 ( -0.818 -0.817 0.000) 1.156 7.572 ( -1.424 -1.899 0.000) 2.373 7.635 ( 0.134 14.060 0.000) 14.060 7.662 ( -2.462 11.962 0.000) 12.212 8.088 ( 0.609 6.313 0.000) 6.342 8.090 ( 0.459 10.049 0.000) 10.060 8.389 ( 3.637 -3.571 0.000) 5.097 8.433 ( -0.937 -2.951 0.000) 3.096 8.506 ( 4.222 -1.775 0.000) 4.580 8.617 ( -3.560 2.742 0.000) 4.493 8.671 ( 3.241 -3.621 0.000) 4.860 8.709 ( -0.155 -1.504 0.000) 1.512 8.758 ( -0.394 -6.612 0.000) 6.624 8.820 ( -4.234 -3.429 0.000) 5.448 9.013 ( 4.556 -3.033 0.000) 5.473 9.106 ( -3.483 -0.954 0.000) 3.611 9.709 ( 0.305 1.823 0.000) 1.849 9.718 ( -0.195 3.924 0.000) 3.929 9.725 ( -0.726 2.305 0.000) 2.417 9.725 ( -0.395 2.659 0.000) 2.688 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 0.000 9.951 0.000) 9.951 1.392 ( 0.000 6.767 0.000) 6.767 1.446 ( 0.000 5.691 0.000) 5.691 1.510 ( 0.000 4.672 0.000) 4.672 1.669 ( 0.000 3.308 0.000) 3.308 1.722 ( 0.000 0.753 0.000) 0.753 1.739 ( 0.000 -0.898 0.000) 0.898 1.740 ( 0.000 3.979 0.000) 3.979 2.026 ( 0.000 5.328 0.000) 5.328 2.032 ( 0.000 7.094 0.000) 7.094 2.108 ( 0.000 10.469 0.000) 10.469 2.127 ( 0.000 9.593 0.000) 9.593 2.500 ( 0.000 -2.051 0.000) 2.051 2.584 ( 0.000 -4.878 0.000) 4.878 2.608 ( 0.000 2.725 0.000) 2.725 2.618 ( 0.000 0.890 0.000) 0.890 2.879 ( 0.000 5.648 0.000) 5.648 2.934 ( 0.000 5.236 0.000) 5.236 3.250 ( 0.000 -5.841 0.000) 5.841 3.364 ( 0.000 -4.169 0.000) 4.169 3.789 ( 0.000 14.234 0.000) 14.234 3.872 ( 0.000 12.373 0.000) 12.373 3.875 ( 0.000 14.732 0.000) 14.732 3.976 ( 0.000 10.551 0.000) 10.551 5.361 ( 0.000 3.930 0.000) 3.930 5.438 ( 0.000 1.353 0.000) 1.353 5.506 ( 0.000 -2.083 0.000) 2.083 5.535 ( 0.000 -3.336 0.000) 3.336 6.468 ( 0.000 -2.205 0.000) 2.205 6.629 ( 0.000 -4.876 0.000) 4.876 6.709 ( 0.000 1.962 0.000) 1.962 6.845 ( 0.000 -2.151 0.000) 2.151 6.939 ( 0.000 1.665 0.000) 1.665 7.100 ( 0.000 1.751 0.000) 1.751 7.114 ( 0.000 -4.771 0.000) 4.771 7.223 ( 0.000 2.611 0.000) 2.611 7.333 ( 0.000 -0.430 0.000) 0.430 7.408 ( 0.000 -6.379 0.000) 6.379 7.471 ( 0.000 -5.888 0.000) 5.888 7.486 ( 0.000 1.959 0.000) 1.959 7.687 ( 0.000 8.237 0.000) 8.237 7.698 ( 0.000 1.581 0.000) 1.581 7.747 ( 0.000 1.827 0.000) 1.827 7.832 ( 0.000 3.105 0.000) 3.105 8.179 ( 0.000 7.367 0.000) 7.367 8.212 ( 0.000 2.151 0.000) 2.151 8.282 ( 0.000 5.718 0.000) 5.718 8.407 ( 0.000 -0.957 0.000) 0.957 8.417 ( 0.000 -0.773 0.000) 0.773 8.505 ( 0.000 -4.415 0.000) 4.415 8.539 ( 0.000 -0.830 0.000) 0.830 8.680 ( 0.000 -8.499 0.000) 8.499 8.742 ( 0.000 1.575 0.000) 1.575 8.881 ( 0.000 -1.269 0.000) 1.269 8.889 ( 0.000 -3.114 0.000) 3.114 9.117 ( 0.000 -3.751 0.000) 3.751 9.737 ( 0.000 3.486 0.000) 3.486 9.808 ( 0.000 5.287 0.000) 5.287 9.812 ( 0.000 4.309 0.000) 4.309 9.862 ( 0.000 5.699 0.000) 5.699 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 0.732 9.427 0.000) 9.455 1.385 ( -0.412 7.639 0.000) 7.651 1.428 ( -1.536 5.544 0.000) 5.752 1.483 ( -2.389 6.185 0.000) 6.630 1.631 ( -2.232 1.636 0.000) 2.767 1.648 ( -3.295 2.114 0.000) 3.914 1.786 ( 2.863 0.003 0.000) 2.863 1.804 ( 2.648 1.166 0.000) 2.894 2.034 ( 0.646 6.168 0.000) 6.202 2.035 ( 0.330 8.269 0.000) 8.276 2.138 ( 2.430 10.449 0.000) 10.728 2.153 ( 2.058 9.513 0.000) 9.733 2.480 ( -1.163 -2.028 0.000) 2.338 2.527 ( -2.740 -1.410 0.000) 3.081 2.636 ( 0.956 1.137 0.000) 1.485 2.664 ( 2.167 0.872 0.000) 2.336 2.860 ( -1.252 4.829 0.000) 4.989 2.898 ( -2.590 4.613 0.000) 5.290 3.254 ( 0.316 -6.117 0.000) 6.125 3.335 ( -2.372 -5.911 0.000) 6.369 3.808 ( 1.626 14.884 0.000) 14.973 3.888 ( 0.895 13.795 0.000) 13.824 3.890 ( 1.334 11.600 0.000) 11.677 3.958 ( -1.495 11.287 0.000) 11.386 5.363 ( 0.329 3.298 0.000) 3.314 5.431 ( -0.702 0.615 0.000) 0.933 5.526 ( 1.495 -1.323 0.000) 1.997 5.543 ( 0.692 -1.948 0.000) 2.067 6.420 ( -2.632 -1.536 0.000) 3.047 6.639 ( -5.960 0.910 0.000) 6.029 6.683 ( 3.530 -5.682 0.000) 6.689 6.827 ( -0.938 -2.049 0.000) 2.253 6.977 ( 2.877 1.727 0.000) 3.356 7.098 ( 0.490 -0.545 0.000) 0.733 7.168 ( 3.576 -2.018 0.000) 4.106 7.233 ( 1.205 1.699 0.000) 2.083 7.324 ( -0.702 -1.799 0.000) 1.931 7.392 ( -1.429 -4.877 0.000) 5.082 7.451 ( -1.874 -3.281 0.000) 3.778 7.469 ( -1.774 1.769 0.000) 2.505 7.611 ( -4.660 5.083 0.000) 6.896 7.628 ( -4.271 1.708 0.000) 4.600 7.789 ( 2.364 3.329 0.000) 4.083 7.870 ( 1.731 6.471 0.000) 6.698 8.173 ( -0.341 6.237 0.000) 6.246 8.248 ( 1.336 -1.168 0.000) 1.775 8.264 ( 0.301 6.408 0.000) 6.415 8.419 ( -0.086 -0.301 0.000) 0.313 8.419 ( 1.310 -0.881 0.000) 1.579 8.515 ( 1.893 -3.939 0.000) 4.370 8.595 ( 3.686 -2.057 0.000) 4.222 8.658 ( -0.514 -4.759 0.000) 4.787 8.812 ( -5.568 -0.124 0.000) 5.569 8.818 ( 4.356 -1.889 0.000) 4.748 8.864 ( -1.622 -2.980 0.000) 3.393 9.106 ( -1.397 -4.396 0.000) 4.613 9.752 ( 1.235 4.045 0.000) 4.229 9.811 ( -0.055 4.707 0.000) 4.707 9.811 ( 0.181 5.447 0.000) 5.450 9.848 ( -1.187 5.852 0.000) 5.971 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 1.874 8.176 0.000) 8.388 1.384 ( -2.432 6.082 0.000) 6.550 1.386 ( 0.720 8.576 0.000) 8.606 1.422 ( -2.562 8.602 0.000) 8.976 1.594 ( -0.898 0.695 0.000) 1.135 1.597 ( -1.247 0.940 0.000) 1.561 1.836 ( 1.431 -0.000 0.000) 1.431 1.843 ( 0.792 0.148 0.000) 0.806 2.045 ( 0.405 9.433 0.000) 9.442 2.047 ( 0.303 8.127 0.000) 8.133 2.192 ( 1.818 9.993 0.000) 10.157 2.196 ( 1.349 9.347 0.000) 9.444 2.468 ( 0.056 -1.064 0.000) 1.066 2.481 ( -1.301 -0.575 0.000) 1.422 2.644 ( 0.237 3.128 0.000) 3.137 2.669 ( -1.499 3.671 0.000) 3.965 2.849 ( 0.326 2.041 0.000) 2.067 2.860 ( -0.685 1.868 0.000) 1.990 3.260 ( 0.357 -7.194 0.000) 7.202 3.282 ( -1.882 -7.831 0.000) 8.054 3.852 ( 2.164 14.387 0.000) 14.549 3.893 ( -1.096 12.636 0.000) 12.683 3.916 ( 0.837 11.380 0.000) 11.411 3.927 ( -0.666 12.477 0.000) 12.495 5.378 ( 1.072 1.993 0.000) 2.263 5.407 ( -1.377 0.606 0.000) 1.504 5.555 ( 0.877 -0.325 0.000) 0.935 5.558 ( 0.472 -0.322 0.000) 0.572 6.403 ( 1.610 -0.712 0.000) 1.760 6.493 ( -6.246 0.003 0.000) 6.246 6.755 ( 2.923 -5.785 0.000) 6.481 6.804 ( -1.497 -3.992 0.000) 4.264 7.047 ( 3.197 1.624 0.000) 3.586 7.098 ( -1.075 0.186 0.000) 1.091 7.249 ( 3.516 -3.463 0.000) 4.935 7.283 ( 3.056 0.816 0.000) 3.163 7.305 ( -1.345 -4.356 0.000) 4.558 7.347 ( -2.603 -1.628 0.000) 3.070 7.402 ( -1.719 1.926 0.000) 2.582 7.412 ( -2.586 2.607 0.000) 3.672 7.540 ( -1.365 1.782 0.000) 2.245 7.552 ( -2.246 1.884 0.000) 2.932 7.841 ( 2.318 6.149 0.000) 6.571 7.879 ( -0.881 7.971 0.000) 8.020 8.174 ( 0.601 3.645 0.000) 3.694 8.205 ( -2.218 1.845 0.000) 2.885 8.349 ( 3.810 0.384 0.000) 3.829 8.403 ( -1.445 -0.124 0.000) 1.450 8.479 ( 4.533 -0.808 0.000) 4.604 8.564 ( 0.289 -3.920 0.000) 3.930 8.654 ( -0.374 -3.772 0.000) 3.791 8.655 ( -0.864 -4.472 0.000) 4.554 8.704 ( 0.290 2.990 0.000) 3.004 8.780 ( -4.099 -1.146 0.000) 4.256 8.945 ( 5.265 -4.106 0.000) 6.677 9.047 ( -3.879 -4.828 0.000) 6.193 9.783 ( 1.439 5.227 0.000) 5.421 9.811 ( -0.615 5.708 0.000) 5.741 9.812 ( 0.174 5.358 0.000) 5.360 9.819 ( -0.942 5.830 0.000) 5.905 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( 0.000 7.847 0.000) 7.847 1.510 ( 0.000 4.894 0.000) 4.894 1.548 ( 0.000 4.425 0.000) 4.425 1.586 ( 0.000 2.682 0.000) 2.682 1.679 ( 0.000 -1.480 0.000) 1.480 1.711 ( 0.000 -2.172 0.000) 2.172 1.732 ( 0.000 0.326 0.000) 0.326 1.761 ( 0.000 -0.773 0.000) 0.773 2.144 ( 0.000 6.759 0.000) 6.759 2.169 ( 0.000 7.197 0.000) 7.197 2.293 ( 0.000 6.529 0.000) 6.529 2.301 ( 0.000 7.792 0.000) 7.792 2.439 ( 0.000 -3.861 0.000) 3.861 2.487 ( 0.000 -3.484 0.000) 3.484 2.579 ( 0.000 -4.326 0.000) 4.326 2.605 ( 0.000 -2.576 0.000) 2.576 2.966 ( 0.000 3.770 0.000) 3.770 3.013 ( 0.000 3.477 0.000) 3.477 3.136 ( 0.000 -5.383 0.000) 5.383 3.227 ( 0.000 -7.752 0.000) 7.752 4.041 ( 0.000 9.506 0.000) 9.506 4.068 ( 0.000 7.238 0.000) 7.238 4.109 ( 0.000 8.517 0.000) 8.517 4.142 ( 0.000 6.074 0.000) 6.074 5.425 ( 0.000 2.533 0.000) 2.533 5.460 ( 0.000 0.884 0.000) 0.884 5.478 ( 0.000 -0.975 0.000) 0.975 5.489 ( 0.000 -1.427 0.000) 1.427 6.449 ( 0.000 0.344 0.000) 0.344 6.541 ( 0.000 -3.960 0.000) 3.960 6.749 ( 0.000 2.190 0.000) 2.190 6.816 ( 0.000 -1.169 0.000) 1.169 6.994 ( 0.000 4.290 0.000) 4.290 7.058 ( 0.000 -0.772 0.000) 0.772 7.110 ( 0.000 -0.843 0.000) 0.843 7.261 ( 0.000 -8.132 0.000) 8.132 7.264 ( 0.000 1.709 0.000) 1.709 7.352 ( 0.000 2.197 0.000) 2.197 7.361 ( 0.000 -4.684 0.000) 4.684 7.474 ( 0.000 -2.589 0.000) 2.589 7.730 ( 0.000 1.297 0.000) 1.297 7.757 ( 0.000 -0.257 0.000) 0.257 7.811 ( 0.000 4.562 0.000) 4.562 7.875 ( 0.000 1.041 0.000) 1.041 8.261 ( 0.000 3.000 0.000) 3.000 8.315 ( 0.000 6.073 0.000) 6.073 8.341 ( 0.000 0.619 0.000) 0.619 8.405 ( 0.000 0.834 0.000) 0.834 8.417 ( 0.000 0.757 0.000) 0.757 8.448 ( 0.000 -1.719 0.000) 1.719 8.505 ( 0.000 -2.409 0.000) 2.409 8.538 ( 0.000 -6.040 0.000) 6.040 8.768 ( 0.000 1.096 0.000) 1.096 8.830 ( 0.000 -2.656 0.000) 2.656 8.875 ( 0.000 0.885 0.000) 0.885 9.022 ( 0.000 -5.471 0.000) 5.471 9.818 ( 0.000 4.220 0.000) 4.220 9.880 ( 0.000 2.052 0.000) 2.052 9.909 ( 0.000 4.542 0.000) 4.542 9.953 ( 0.000 3.026 0.000) 3.026 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -0.267 6.940 0.000) 6.945 1.514 ( 0.398 5.321 0.000) 5.336 1.526 ( -1.701 4.220 0.000) 4.550 1.572 ( -1.131 2.528 0.000) 2.769 1.634 ( -2.336 -0.499 0.000) 2.388 1.686 ( -2.932 2.202 0.000) 3.667 1.752 ( 2.154 -3.290 0.000) 3.932 1.785 ( 1.094 -2.451 0.000) 2.684 2.165 ( 1.701 7.224 0.000) 7.421 2.196 ( 2.163 8.007 0.000) 8.294 2.321 ( 1.215 7.892 0.000) 7.985 2.330 ( 2.967 7.527 0.000) 8.091 2.431 ( 0.127 -3.123 0.000) 3.126 2.470 ( -1.351 -2.988 0.000) 3.279 2.593 ( 0.969 -4.915 0.000) 5.009 2.631 ( 1.903 -3.792 0.000) 4.243 2.938 ( -2.262 3.724 0.000) 4.357 2.971 ( -3.437 3.466 0.000) 4.882 3.132 ( -0.470 -6.034 0.000) 6.053 3.189 ( -3.030 -7.698 0.000) 8.273 4.053 ( 1.017 9.083 0.000) 9.140 4.079 ( 0.968 7.111 0.000) 7.177 4.108 ( -0.117 8.193 0.000) 8.194 4.136 ( -0.472 6.501 0.000) 6.518 5.422 ( -0.025 2.741 0.000) 2.741 5.447 ( -0.779 1.132 0.000) 1.374 5.502 ( 1.696 -1.323 0.000) 2.152 5.510 ( 1.318 -1.672 0.000) 2.129 6.423 ( -1.267 1.788 0.000) 2.191 6.574 ( 2.350 -5.272 0.000) 5.772 6.674 ( -6.046 2.648 0.000) 6.600 6.786 ( -2.524 -2.330 0.000) 3.435 7.024 ( 2.239 3.414 0.000) 4.083 7.074 ( 1.254 -0.485 0.000) 1.344 7.141 ( 1.887 -2.007 0.000) 2.755 7.243 ( -1.626 -6.591 0.000) 6.789 7.261 ( 0.516 1.623 0.000) 1.703 7.351 ( -0.019 1.198 0.000) 1.198 7.368 ( 0.500 -4.036 0.000) 4.067 7.458 ( -1.466 -2.436 0.000) 2.843 7.681 ( -2.568 3.421 0.000) 4.278 7.738 ( -4.083 6.950 0.000) 8.060 7.801 ( 2.633 -1.506 0.000) 3.033 7.929 ( 2.130 -0.756 0.000) 2.260 8.259 ( -0.331 2.577 0.000) 2.598 8.299 ( -1.238 6.229 0.000) 6.351 8.336 ( 0.259 1.179 0.000) 1.207 8.420 ( 1.527 0.978 0.000) 1.814 8.430 ( 0.001 1.068 0.000) 1.068 8.460 ( 1.951 -1.825 0.000) 2.671 8.538 ( 2.362 -3.417 0.000) 4.153 8.552 ( 1.129 -5.464 0.000) 5.580 8.796 ( 1.910 -0.679 0.000) 2.028 8.815 ( -0.964 -1.891 0.000) 2.123 8.829 ( -3.657 1.882 0.000) 4.113 9.000 ( -2.084 -5.982 0.000) 6.335 9.838 ( 1.706 4.218 0.000) 4.550 9.888 ( 0.631 2.528 0.000) 2.605 9.912 ( 0.224 4.423 0.000) 4.429 9.944 ( -0.796 3.376 0.000) 3.468 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 0.274 5.454 0.000) 5.461 1.489 ( -1.395 4.421 0.000) 4.636 1.527 ( 0.750 4.762 0.000) 4.821 1.546 ( -1.037 2.808 0.000) 2.993 1.601 ( -0.321 1.369 0.000) 1.406 1.625 ( -2.301 3.256 0.000) 3.987 1.789 ( 1.113 -4.217 0.000) 4.362 1.799 ( 0.157 -3.878 0.000) 3.882 2.206 ( 1.796 8.020 0.000) 8.219 2.231 ( 0.121 9.049 0.000) 9.050 2.344 ( 1.677 5.750 0.000) 5.990 2.380 ( -0.040 8.865 0.000) 8.865 2.452 ( 0.761 -2.628 0.000) 2.736 2.460 ( 1.312 0.140 0.000) 1.319 2.618 ( 1.599 -4.866 0.000) 5.122 2.654 ( -0.572 -4.274 0.000) 4.312 2.890 ( -1.449 2.923 0.000) 3.263 2.897 ( -2.308 2.789 0.000) 3.620 3.116 ( -0.680 -7.248 0.000) 7.280 3.126 ( -1.970 -7.726 0.000) 7.974 4.078 ( 1.127 8.382 0.000) 8.458 4.099 ( -0.747 7.944 0.000) 7.979 4.104 ( 1.107 6.991 0.000) 7.078 4.124 ( -0.698 6.998 0.000) 7.033 5.426 ( 0.277 2.809 0.000) 2.822 5.433 ( -0.457 2.080 0.000) 2.130 5.533 ( 0.860 -1.950 0.000) 2.132 5.534 ( 0.694 -2.132 0.000) 2.242 6.430 ( 2.396 3.374 0.000) 4.139 6.529 ( -6.297 3.526 0.000) 7.217 6.636 ( 3.389 -6.157 0.000) 7.028 6.716 ( -3.667 -4.900 0.000) 6.120 7.070 ( 1.643 1.322 0.000) 2.109 7.091 ( -0.134 -0.189 0.000) 0.231 7.170 ( 1.153 -4.093 0.000) 4.253 7.202 ( -1.797 -5.318 0.000) 5.613 7.304 ( 2.618 1.444 0.000) 2.990 7.343 ( -0.912 0.954 0.000) 1.320 7.384 ( 1.043 -2.382 0.000) 2.601 7.418 ( -1.940 -1.648 0.000) 2.546 7.643 ( -0.588 6.594 0.000) 6.620 7.663 ( -2.415 8.535 0.000) 8.870 7.867 ( 3.362 -2.654 0.000) 4.284 7.931 ( -1.902 -2.550 0.000) 3.181 8.251 ( 0.083 4.263 0.000) 4.264 8.269 ( -1.335 5.932 0.000) 6.081 8.368 ( 2.213 0.427 0.000) 2.254 8.411 ( -1.508 0.207 0.000) 1.522 8.476 ( 3.366 0.414 0.000) 3.391 8.511 ( 1.472 -1.431 0.000) 2.053 8.570 ( -0.004 -4.092 0.000) 4.092 8.570 ( 0.186 -4.496 0.000) 4.500 8.758 ( -1.555 2.873 0.000) 3.267 8.771 ( -1.872 0.363 0.000) 1.907 8.862 ( 3.203 -4.032 0.000) 5.149 8.937 ( -3.418 -6.020 0.000) 6.922 9.881 ( 1.961 4.230 0.000) 4.662 9.903 ( 0.719 3.415 0.000) 3.490 9.913 ( -0.325 4.144 0.000) 4.157 9.920 ( -1.303 3.907 0.000) 4.119 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 -0.067 0.000) 0.067 1.568 ( 0.000 0.067 0.000) 0.067 1.604 ( 0.000 -1.009 0.000) 1.009 1.604 ( 0.000 1.009 0.000) 1.009 1.663 ( 0.000 -1.597 0.000) 1.597 1.663 ( 0.000 1.597 0.000) 1.597 1.741 ( 0.000 -0.821 0.000) 0.821 1.741 ( 0.000 0.821 0.000) 0.821 2.276 ( 0.000 -6.022 0.000) 6.022 2.276 ( 0.000 6.022 0.000) 6.022 2.308 ( 0.000 -6.504 0.000) 6.504 2.308 ( 0.000 6.504 0.000) 6.504 2.469 ( 0.000 -6.460 0.000) 6.460 2.469 ( 0.000 6.460 0.000) 6.460 2.525 ( 0.000 -5.088 0.000) 5.088 2.525 ( 0.000 5.088 0.000) 5.088 3.042 ( 0.000 -4.289 0.000) 4.289 3.042 ( 0.000 4.289 0.000) 4.289 3.095 ( 0.000 -5.439 0.000) 5.439 3.095 ( 0.000 5.439 0.000) 5.439 4.137 ( 0.000 -0.460 0.000) 0.460 4.137 ( 0.000 0.460 0.000) 0.460 4.198 ( 0.000 -0.667 0.000) 0.667 4.198 ( 0.000 0.667 0.000) 0.667 5.459 ( 0.000 -1.139 0.000) 1.139 5.459 ( 0.000 1.139 0.000) 1.139 5.473 ( 0.000 -0.519 0.000) 0.519 5.473 ( 0.000 0.519 0.000) 0.519 6.478 ( 0.000 -2.470 0.000) 2.470 6.478 ( 0.000 2.470 0.000) 2.470 6.789 ( 0.000 -1.735 0.000) 1.735 6.789 ( 0.000 1.735 0.000) 1.735 7.076 ( 0.000 -2.038 0.000) 2.038 7.076 ( 0.000 2.038 0.000) 2.038 7.108 ( 0.000 -7.174 0.000) 7.174 7.108 ( 0.000 7.174 0.000) 7.174 7.298 ( 0.000 -2.081 0.000) 2.081 7.298 ( 0.000 2.081 0.000) 2.081 7.410 ( 0.000 -3.496 0.000) 3.496 7.410 ( 0.000 3.496 0.000) 3.496 7.747 ( 0.000 -0.631 0.000) 0.631 7.747 ( 0.000 0.631 0.000) 0.631 7.869 ( 0.000 -1.613 0.000) 1.613 7.869 ( 0.000 1.613 0.000) 1.613 8.319 ( 0.000 -2.474 0.000) 2.474 8.319 ( 0.000 2.474 0.000) 2.474 8.402 ( 0.000 -2.860 0.000) 2.860 8.402 ( 0.000 2.860 0.000) 2.860 8.445 ( 0.000 -3.432 0.000) 3.432 8.445 ( 0.000 3.432 0.000) 3.432 8.456 ( 0.000 -2.307 0.000) 2.307 8.456 ( 0.000 2.307 0.000) 2.307 8.790 ( 0.000 -1.459 0.000) 1.459 8.790 ( 0.000 1.459 0.000) 1.459 8.924 ( 0.000 -4.103 0.000) 4.103 8.924 ( 0.000 4.103 0.000) 4.103 9.881 ( 0.000 -1.874 0.000) 1.874 9.881 ( 0.000 1.874 0.000) 1.874 9.969 ( 0.000 -1.322 0.000) 1.322 9.969 ( 0.000 1.322 0.000) 1.322 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -0.921 -1.715 0.000) 1.947 1.555 ( -0.921 1.715 0.000) 1.947 1.582 ( -1.666 -1.309 0.000) 2.119 1.582 ( -1.666 1.309 0.000) 2.119 1.670 ( 0.630 -4.505 0.000) 4.548 1.670 ( 0.630 4.505 0.000) 4.548 1.733 ( -0.719 -2.562 0.000) 2.661 1.733 ( -0.719 2.562 0.000) 2.661 2.307 ( 2.362 -6.701 0.000) 7.105 2.307 ( 2.362 6.701 0.000) 7.105 2.339 ( 2.391 -6.375 0.000) 6.809 2.339 ( 2.391 6.375 0.000) 6.809 2.469 ( 0.284 -7.262 0.000) 7.268 2.469 ( 0.284 7.262 0.000) 7.268 2.530 ( 0.503 -6.211 0.000) 6.231 2.530 ( 0.503 6.211 0.000) 6.231 3.023 ( -1.676 -5.096 0.000) 5.364 3.023 ( -1.676 5.096 0.000) 5.364 3.057 ( -3.176 -5.659 0.000) 6.489 3.057 ( -3.176 5.659 0.000) 6.489 4.147 ( 0.798 -0.528 0.000) 0.957 4.147 ( 0.798 0.528 0.000) 0.957 4.195 ( -0.234 -0.661 0.000) 0.701 4.195 ( -0.234 0.661 0.000) 0.701 5.469 ( 0.748 -2.055 0.000) 2.187 5.469 ( 0.748 2.055 0.000) 2.187 5.476 ( 0.273 -1.733 0.000) 1.755 5.476 ( 0.273 1.733 0.000) 1.755 6.482 ( 0.648 -4.048 0.000) 4.099 6.482 ( 0.648 4.048 0.000) 4.099 6.733 ( -4.606 -3.073 0.000) 5.537 6.733 ( -4.606 3.073 0.000) 5.537 7.093 ( 1.087 -2.232 0.000) 2.482 7.093 ( 1.087 2.232 0.000) 2.482 7.116 ( 0.378 -5.914 0.000) 5.926 7.116 ( 0.378 5.914 0.000) 5.926 7.303 ( 0.810 -2.730 0.000) 2.848 7.303 ( 0.810 2.730 0.000) 2.848 7.398 ( -0.885 -3.171 0.000) 3.292 7.398 ( -0.885 3.171 0.000) 3.292 7.750 ( 0.411 -3.358 0.000) 3.383 7.750 ( 0.411 3.358 0.000) 3.383 7.862 ( -0.897 -5.397 0.000) 5.471 7.862 ( -0.897 5.397 0.000) 5.471 8.320 ( 0.296 -2.561 0.000) 2.578 8.320 ( 0.296 2.561 0.000) 2.578 8.400 ( -0.524 -3.829 0.000) 3.865 8.400 ( -0.524 3.829 0.000) 3.865 8.461 ( 1.428 -3.475 0.000) 3.757 8.461 ( 1.428 3.475 0.000) 3.757 8.476 ( 1.774 -2.600 0.000) 3.148 8.476 ( 1.774 2.600 0.000) 3.148 8.793 ( 0.150 -0.436 0.000) 0.461 8.793 ( 0.150 0.436 0.000) 0.461 8.892 ( -2.641 -4.626 0.000) 5.327 8.892 ( -2.641 4.626 0.000) 5.327 9.898 ( 1.353 -1.485 0.000) 2.009 9.898 ( 1.353 1.485 0.000) 2.009 9.968 ( -0.202 -0.962 0.000) 0.983 9.968 ( -0.202 0.962 0.000) 0.983 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -0.302 -1.788 0.000) 1.813 1.539 ( -0.302 1.788 0.000) 1.813 1.548 ( -1.129 -1.594 0.000) 1.953 1.548 ( -1.129 1.594 0.000) 1.954 1.688 ( 0.999 -5.738 0.000) 5.825 1.688 ( 0.999 5.738 0.000) 5.825 1.712 ( -1.099 -4.763 0.000) 4.888 1.712 ( -1.099 4.763 0.000) 4.888 2.355 ( 1.702 -6.855 0.000) 7.063 2.355 ( 1.702 6.855 0.000) 7.063 2.375 ( 0.174 -4.644 0.000) 4.647 2.375 ( 0.174 4.644 0.000) 4.647 2.500 ( 2.529 -5.766 0.000) 6.296 2.500 ( 2.529 5.766 0.000) 6.296 2.538 ( -0.330 -7.112 0.000) 7.120 2.538 ( -0.330 7.112 0.000) 7.120 2.982 ( -1.491 -6.277 0.000) 6.452 2.982 ( -1.491 6.277 0.000) 6.452 2.987 ( -2.243 -6.283 0.000) 6.671 2.987 ( -2.243 6.283 0.000) 6.671 4.168 ( 0.982 -0.663 0.000) 1.185 4.168 ( 0.982 0.663 0.000) 1.185 4.186 ( -0.649 -0.717 0.000) 0.968 4.186 ( -0.649 0.717 0.000) 0.968 5.483 ( 0.304 -2.834 0.000) 2.850 5.483 ( 0.304 2.834 0.000) 2.850 5.483 ( 0.369 -2.941 0.000) 2.964 5.483 ( 0.369 2.941 0.000) 2.964 6.521 ( 3.134 -5.558 0.000) 6.381 6.521 ( 3.134 5.558 0.000) 6.381 6.617 ( -5.362 -5.099 0.000) 7.399 6.617 ( -5.362 5.099 0.000) 7.399 7.107 ( 0.287 -2.070 0.000) 2.090 7.107 ( 0.287 2.070 0.000) 2.090 7.115 ( -0.385 -3.417 0.000) 3.439 7.115 ( -0.385 3.417 0.000) 3.439 7.338 ( 2.050 -2.105 0.000) 2.938 7.338 ( 2.050 2.105 0.000) 2.938 7.376 ( -1.263 -2.183 0.000) 2.522 7.376 ( -1.263 2.183 0.000) 2.522 7.774 ( 1.893 -6.272 0.000) 6.551 7.774 ( 1.893 6.272 0.000) 6.551 7.825 ( -2.368 -7.458 0.000) 7.825 7.825 ( -2.368 7.458 0.000) 7.825 8.340 ( 1.489 -3.591 0.000) 3.887 8.340 ( 1.489 3.591 0.000) 3.887 8.376 ( -1.579 -4.231 0.000) 4.516 8.376 ( -1.579 4.231 0.000) 4.516 8.499 ( 1.628 -2.323 0.000) 2.836 8.499 ( 1.628 2.323 0.000) 2.836 8.511 ( 0.802 -1.548 0.000) 1.744 8.511 ( 0.802 1.548 0.000) 1.744 8.798 ( 0.543 -2.407 0.000) 2.468 8.798 ( 0.543 2.407 0.000) 2.468 8.830 ( -2.484 -4.650 0.000) 5.272 8.830 ( -2.484 4.650 0.000) 5.272 9.931 ( 1.509 -0.670 0.000) 1.652 9.931 ( 1.509 0.670 0.000) 1.652 9.957 ( -0.815 -0.195 0.000) 0.838 9.957 ( -0.815 0.195 0.000) 0.838 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( 0.000 0.000 15.585) 15.585 0.303 ( 0.000 0.000 15.749) 15.749 0.520 ( 0.000 0.000 25.900) 25.900 0.762 ( 0.000 0.000 -7.584) 7.584 0.800 ( 0.000 0.000 -6.594) 6.594 1.315 ( 0.000 0.000 -2.521) 2.521 1.455 ( 0.000 0.000 -12.183) 12.183 1.462 ( 0.000 0.000 -1.095) 1.095 1.478 ( 0.000 0.000 1.363) 1.363 1.522 ( 0.000 0.000 -0.647) 0.647 1.658 ( 0.000 0.000 1.957) 1.957 1.735 ( 0.000 0.000 2.034) 2.034 1.832 ( 0.000 0.000 -9.350) 9.350 1.853 ( 0.000 0.000 0.577) 0.577 1.859 ( 0.000 0.000 -2.353) 2.353 1.880 ( 0.000 0.000 -0.553) 0.553 1.990 ( 0.000 0.000 0.009) 0.009 1.991 ( 0.000 0.000 -0.000) 0.000 2.261 ( 0.000 0.000 9.313) 9.313 2.487 ( 0.000 0.000 -2.969) 2.969 3.228 ( 0.000 0.000 3.370) 3.370 3.340 ( 0.000 0.000 -1.722) 1.722 3.826 ( 0.000 0.000 1.669) 1.669 3.903 ( 0.000 0.000 -1.614) 1.614 4.951 ( 0.000 0.000 1.947) 1.947 5.047 ( 0.000 0.000 -2.148) 2.148 5.424 ( 0.000 0.000 9.218) 9.218 5.745 ( 0.000 0.000 1.075) 1.075 5.791 ( 0.000 0.000 -0.865) 0.865 5.818 ( 0.000 0.000 -6.887) 6.887 5.927 ( 0.000 0.000 2.762) 2.762 6.090 ( 0.000 0.000 -3.488) 3.488 6.516 ( 0.000 0.000 0.780) 0.780 6.555 ( 0.000 0.000 -0.924) 0.924 6.602 ( 0.000 0.000 0.191) 0.191 6.607 ( 0.000 0.000 -0.054) 0.054 6.877 ( 0.000 0.000 3.715) 3.715 7.088 ( 0.000 0.000 -5.937) 5.937 7.364 ( 0.000 0.000 0.579) 0.579 7.392 ( 0.000 0.000 -0.654) 0.654 7.553 ( 0.000 0.000 4.058) 4.058 7.574 ( 0.000 0.000 1.163) 1.163 7.635 ( 0.000 0.000 0.581) 0.581 7.660 ( 0.000 0.000 -0.501) 0.501 7.721 ( 0.000 0.000 -0.759) 0.759 7.821 ( 0.000 0.000 -3.767) 3.767 8.108 ( 0.000 0.000 3.348) 3.348 8.298 ( 0.000 0.000 -5.216) 5.216 8.456 ( 0.000 0.000 3.348) 3.348 8.618 ( 0.000 0.000 -4.548) 4.548 8.828 ( 0.000 0.000 5.793) 5.793 9.003 ( 0.000 0.000 -2.926) 2.926 9.098 ( 0.000 0.000 5.458) 5.458 9.317 ( 0.000 0.000 -3.445) 3.445 9.381 ( 0.000 0.000 1.177) 1.177 9.444 ( 0.000 0.000 -0.922) 0.922 9.792 ( 0.000 0.000 -0.176) 0.176 9.805 ( 0.000 0.000 -0.407) 0.407 9.895 ( 0.000 0.000 -0.046) 0.046 9.898 ( 0.000 0.000 0.107) 0.107 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( 10.448 0.000 5.156) 11.651 0.573 ( 17.650 0.000 7.033) 19.000 0.717 ( 7.960 0.000 -0.597) 7.982 0.825 ( 8.535 0.000 7.889) 11.622 0.860 ( 7.810 0.000 -5.635) 9.631 1.257 ( -5.757 0.000 -2.236) 6.176 1.444 ( -3.088 0.000 0.977) 3.239 1.461 ( 0.047 0.000 -8.803) 8.803 1.475 ( -4.305 0.000 -0.433) 4.327 1.488 ( 0.875 0.000 -4.182) 4.273 1.665 ( -3.502 0.000 2.988) 4.603 1.692 ( 1.125 0.000 2.857) 3.071 1.760 ( 0.356 0.000 -2.583) 2.607 1.847 ( -0.436 0.000 0.506) 0.668 1.854 ( 1.275 0.000 -2.658) 2.948 1.869 ( -0.861 0.000 -0.429) 0.962 1.994 ( 0.244 0.000 -0.011) 0.244 1.994 ( 0.245 0.000 -0.011) 0.246 2.239 ( 1.150 0.000 9.360) 9.430 2.463 ( -5.213 0.000 0.774) 5.270 3.210 ( -0.959 0.000 1.830) 2.066 3.313 ( -0.636 0.000 -1.421) 1.557 3.817 ( -0.644 0.000 1.802) 1.914 3.892 ( -1.036 0.000 -1.537) 1.853 4.999 ( 4.052 0.000 1.656) 4.378 5.080 ( 2.655 0.000 -1.777) 3.195 5.521 ( 5.339 0.000 3.446) 6.355 5.670 ( -4.066 0.000 2.768) 4.919 5.707 ( -3.174 0.000 0.883) 3.294 5.746 ( -3.785 0.000 -0.759) 3.860 5.848 ( -4.025 0.000 3.113) 5.088 5.986 ( -8.177 0.000 -2.369) 8.514 6.519 ( 0.286 0.000 0.766) 0.817 6.560 ( 0.162 0.000 -1.176) 1.187 6.595 ( -0.296 0.000 0.611) 0.679 6.610 ( 0.172 0.000 -0.190) 0.256 7.010 ( 4.524 0.000 2.741) 5.290 7.336 ( 1.598 0.000 -12.237) 12.341 7.397 ( 2.817 0.000 0.397) 2.844 7.417 ( 2.109 0.000 -0.469) 2.160 7.611 ( 2.563 0.000 -3.251) 4.140 7.618 ( -1.481 0.000 0.518) 1.569 7.641 ( -1.741 0.000 -0.448) 1.798 7.673 ( -2.227 0.000 -2.532) 3.373 7.799 ( 4.904 0.000 -0.536) 4.933 7.877 ( 12.321 0.000 -5.946) 13.681 8.198 ( 5.897 0.000 -2.268) 6.318 8.310 ( 1.074 0.000 -5.096) 5.208 8.485 ( 1.443 0.000 0.831) 1.665 8.644 ( 3.366 0.000 -6.412) 7.242 8.817 ( -1.333 0.000 6.396) 6.534 8.956 ( -4.923 0.000 -1.014) 5.026 9.093 ( 1.084 0.000 3.838) 3.988 9.273 ( -3.651 0.000 1.757) 4.052 9.327 ( -3.380 0.000 1.446) 3.676 9.373 ( -2.453 0.000 0.828) 2.589 9.782 ( -0.287 0.000 0.612) 0.676 9.823 ( 0.556 0.000 -1.376) 1.484 9.882 ( -0.265 0.000 1.447) 1.471 9.924 ( 0.920 0.000 -0.975) 1.340 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 13.878 0.000 -2.320) 14.070 0.850 ( 5.300 0.000 -8.474) 9.995 0.927 ( 13.030 0.000 2.209) 13.216 0.969 ( -1.892 0.000 1.723) 2.559 1.027 ( 4.879 0.000 -2.040) 5.288 1.093 ( -7.999 0.000 -3.830) 8.868 1.350 ( -5.147 0.000 -0.038) 5.148 1.354 ( -4.807 0.000 -0.050) 4.807 1.442 ( 2.447 0.000 -1.763) 3.015 1.507 ( -0.518 0.000 -1.645) 1.725 1.634 ( 0.636 0.000 1.998) 2.097 1.681 ( -2.479 0.000 -0.016) 2.479 1.841 ( 0.027 0.000 0.258) 0.259 1.850 ( -0.738 0.000 -0.110) 0.746 1.852 ( 6.838 0.000 3.063) 7.493 1.933 ( 2.322 0.000 1.886) 2.991 1.998 ( 0.131 0.000 -0.026) 0.134 1.998 ( 0.115 0.000 -0.026) 0.118 2.240 ( -0.092 0.000 1.964) 1.966 2.322 ( -6.368 0.000 1.264) 6.492 3.214 ( 1.914 0.000 1.494) 2.428 3.278 ( -2.944 0.000 -0.884) 3.074 3.820 ( 1.189 0.000 0.569) 1.318 3.859 ( -1.923 0.000 -0.989) 2.162 5.099 ( 4.075 0.000 0.782) 4.150 5.133 ( 1.197 0.000 -0.671) 1.373 5.630 ( 5.063 0.000 1.882) 5.401 5.638 ( -1.969 0.000 0.312) 1.994 5.656 ( -3.398 0.000 -0.428) 3.425 5.666 ( 2.699 0.000 1.958) 3.334 5.747 ( -4.708 0.000 1.501) 4.942 5.796 ( -8.063 0.000 0.009) 8.063 6.530 ( 0.753 0.000 0.463) 0.884 6.550 ( -0.939 0.000 -0.353) 1.003 6.600 ( 0.580 0.000 0.153) 0.600 6.610 ( -0.217 0.000 -0.239) 0.323 7.130 ( 6.563 0.000 3.692) 7.530 7.274 ( -5.641 0.000 -0.421) 5.657 7.468 ( 2.903 0.000 0.070) 2.904 7.471 ( 2.304 0.000 -0.088) 2.306 7.578 ( -1.689 0.000 0.265) 1.710 7.579 ( -0.761 0.000 -4.897) 4.956 7.590 ( -2.498 0.000 -0.250) 2.510 7.615 ( -3.272 0.000 -4.913) 5.903 7.964 ( 7.188 0.000 1.778) 7.405 8.032 ( 1.526 0.000 0.820) 1.733 8.280 ( 2.609 0.000 -7.256) 7.711 8.331 ( -0.995 0.000 -8.536) 8.593 8.550 ( 6.620 0.000 5.250) 8.449 8.726 ( -4.896 0.000 3.317) 5.913 8.747 ( 1.937 0.000 -0.592) 2.026 8.835 ( -4.543 0.000 0.329) 4.555 9.157 ( 4.213 0.000 0.393) 4.232 9.237 ( -0.295 0.000 -1.213) 1.248 9.257 ( -2.556 0.000 1.323) 2.878 9.303 ( -3.676 0.000 0.161) 3.680 9.784 ( 0.591 0.000 1.068) 1.221 9.807 ( -1.356 0.000 0.262) 1.381 9.903 ( 1.573 0.000 0.287) 1.599 9.928 ( -0.539 0.000 -0.684) 0.871 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 0.000 11.888 4.520) 12.718 0.441 ( 0.000 10.693 7.176) 12.878 0.827 ( 0.000 13.897 6.808) 15.475 0.877 ( 0.000 20.657 2.343) 20.790 0.902 ( 0.000 10.490 -4.057) 11.247 1.301 ( 0.000 -0.622 -2.398) 2.477 1.459 ( 0.000 0.393 -1.346) 1.403 1.481 ( 0.000 4.585 -4.794) 6.634 1.560 ( 0.000 2.804 -0.920) 2.951 1.561 ( 0.000 0.339 -0.277) 0.438 1.665 ( 0.000 5.141 -0.806) 5.204 1.731 ( 0.000 0.440 -3.369) 3.397 1.758 ( 0.000 3.766 2.100) 4.312 1.888 ( 0.000 1.693 -1.215) 2.084 1.896 ( 0.000 3.123 1.764) 3.587 1.938 ( 0.000 8.862 -3.124) 9.396 2.099 ( 0.000 10.364 -0.092) 10.365 2.111 ( 0.000 11.345 -0.380) 11.352 2.248 ( 0.000 7.921 8.089) 11.321 2.466 ( 0.000 1.864 -2.415) 3.051 3.233 ( 0.000 1.040 2.614) 2.813 3.309 ( 0.000 1.305 -0.683) 1.473 3.810 ( 0.000 -1.575 1.779) 2.376 3.891 ( 0.000 -1.284 -1.650) 2.091 5.296 ( 0.000 2.556 1.537) 2.983 5.439 ( 0.000 2.160 -4.953) 5.403 5.573 ( 0.000 26.238 11.450) 28.627 5.853 ( 0.000 -2.949 2.262) 3.717 5.947 ( 0.000 19.590 0.063) 19.590 5.986 ( 0.000 17.315 -0.228) 17.316 6.107 ( 0.000 5.271 -1.893) 5.601 6.539 ( 0.000 17.664 -11.418) 21.033 6.648 ( 0.000 4.106 -0.035) 4.106 6.650 ( 0.000 6.929 -0.464) 6.945 6.655 ( 0.000 7.481 -0.304) 7.487 6.735 ( 0.000 20.033 -19.500) 27.957 6.892 ( 0.000 1.358 3.726) 3.966 7.136 ( 0.000 1.748 -8.687) 8.862 7.406 ( 0.000 1.481 -0.350) 1.522 7.482 ( 0.000 5.823 -7.069) 9.158 7.568 ( 0.000 -1.629 0.239) 1.647 7.604 ( 0.000 -1.255 1.605) 2.037 7.608 ( 0.000 -2.090 -3.015) 3.669 7.694 ( 0.000 17.050 -13.407) 21.690 7.720 ( 0.000 -0.033 -0.359) 0.361 7.823 ( 0.000 0.182 -3.527) 3.531 8.118 ( 0.000 0.292 3.297) 3.310 8.307 ( 0.000 0.278 -6.186) 6.193 8.454 ( 0.000 0.018 3.331) 3.331 8.625 ( 0.000 0.962 -5.412) 5.497 8.821 ( 0.000 -0.835 6.015) 6.073 8.992 ( 0.000 -1.050 -2.893) 3.078 9.061 ( 0.000 -3.660 5.346) 6.479 9.272 ( 0.000 -11.539 8.942) 14.598 9.275 ( 0.000 -4.230 -2.851) 5.101 9.327 ( 0.000 -5.200 0.036) 5.200 9.772 ( 0.000 -1.851 -0.212) 1.863 9.782 ( 0.000 -2.229 -0.383) 2.262 9.873 ( 0.000 -2.256 0.080) 2.257 9.876 ( 0.000 -2.177 0.192) 2.185 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 6.235 4.855 3.440) 8.619 0.542 ( 8.111 4.181 2.961) 9.594 0.830 ( 1.661 4.626 -1.119) 5.041 1.013 ( 7.954 12.638 -3.948) 15.446 1.084 ( 11.540 20.014 4.833) 23.602 1.252 ( -4.213 2.096 -2.551) 5.353 1.431 ( -3.542 2.411 -2.793) 5.115 1.471 ( 0.449 -0.767 -2.796) 2.934 1.518 ( -2.580 4.936 1.039) 5.666 1.585 ( 1.226 3.438 -0.491) 3.682 1.694 ( 1.544 2.262 -0.875) 2.875 1.715 ( -2.274 5.666 2.232) 6.501 1.730 ( 0.072 0.339 -2.408) 2.433 1.854 ( -2.604 -0.001 -0.987) 2.785 1.897 ( -0.053 5.176 0.932) 5.259 1.916 ( -1.169 6.441 -1.216) 6.659 2.120 ( 0.836 11.566 -0.144) 11.597 2.121 ( 1.164 11.115 -0.088) 11.176 2.312 ( 4.943 9.041 5.721) 11.786 2.488 ( 1.034 6.049 -1.183) 6.250 3.219 ( -0.970 1.235 2.325) 2.805 3.309 ( -0.541 0.545 -1.377) 1.576 3.799 ( -0.571 -1.613 1.791) 2.477 3.881 ( -0.982 -1.207 -1.679) 2.290 5.288 ( -0.214 4.415 2.187) 4.931 5.398 ( -1.878 12.668 -2.205) 12.995 5.590 ( 0.352 12.372 5.860) 13.694 5.775 ( -6.066 -0.700 0.730) 6.150 5.912 ( -3.899 20.023 0.251) 20.400 5.976 ( -3.000 18.727 0.749) 18.980 6.021 ( -5.231 7.614 -2.136) 9.481 6.098 ( -19.146 36.214 -5.560) 41.339 6.608 ( -0.736 8.288 0.708) 8.350 6.628 ( -1.002 5.097 -0.190) 5.198 6.664 ( 0.668 7.803 -0.135) 7.832 6.668 ( 0.794 5.997 -0.212) 6.053 6.999 ( 3.408 -0.809 2.821) 4.497 7.242 ( 2.173 -6.256 -6.074) 8.986 7.427 ( 1.712 1.067 -0.360) 2.048 7.463 ( -0.449 3.594 -2.651) 4.488 7.562 ( -0.147 -3.639 0.427) 3.667 7.600 ( -1.013 -3.190 -1.150) 3.539 7.629 ( -0.542 0.342 -2.098) 2.194 7.687 ( -1.838 0.650 -1.726) 2.604 7.800 ( 3.374 0.038 -0.266) 3.384 7.913 ( 7.413 2.745 -6.934) 10.515 8.204 ( 5.646 0.362 -3.011) 6.409 8.324 ( 1.315 0.794 -6.731) 6.904 8.482 ( 1.781 -0.053 1.917) 2.618 8.656 ( 3.109 0.986 -6.320) 7.112 8.807 ( -1.482 -1.065 6.496) 6.747 8.941 ( -4.672 -1.493 -0.800) 4.969 9.069 ( 1.410 -2.386 3.331) 4.333 9.220 ( -2.035 -5.095 5.617) 7.852 9.269 ( -1.595 -5.124 -1.695) 5.628 9.316 ( -1.467 -5.288 0.128) 5.489 9.761 ( -0.334 -2.029 0.594) 2.140 9.800 ( 0.522 -2.199 -1.338) 2.627 9.857 ( -0.325 -2.347 1.472) 2.789 9.895 ( 0.715 -2.745 -0.639) 2.907 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 12.591 -2.680 -2.645) 13.142 0.728 ( 5.512 -3.715 -3.261) 7.404 0.927 ( 5.682 1.388 0.964) 5.928 1.055 ( -7.711 0.701 -2.064) 8.013 1.167 ( 2.811 12.671 -3.032) 13.328 1.210 ( -2.042 12.977 -1.687) 13.244 1.354 ( -1.456 1.016 -0.741) 1.924 1.434 ( -4.469 1.557 -4.581) 6.586 1.579 ( 7.173 11.740 1.333) 13.822 1.620 ( 2.708 7.487 0.980) 8.021 1.662 ( -1.274 4.702 2.571) 5.508 1.723 ( -0.051 1.267 -0.284) 1.300 1.739 ( -0.065 0.811 -0.521) 0.966 1.779 ( -4.138 -0.925 0.036) 4.240 1.902 ( 0.555 2.395 1.281) 2.772 1.908 ( 0.134 1.258 1.312) 1.823 2.135 ( 0.584 11.676 0.235) 11.693 2.140 ( 0.325 11.349 0.265) 11.357 2.418 ( 4.146 14.750 1.754) 15.422 2.483 ( -1.640 14.457 -0.131) 14.550 3.215 ( 1.171 0.362 1.679) 2.079 3.268 ( -2.960 -0.535 -0.422) 3.038 3.807 ( 1.409 -1.356 0.546) 2.030 3.848 ( -1.946 -1.128 -1.118) 2.512 5.319 ( 3.189 9.633 2.220) 10.387 5.379 ( -1.040 15.355 -0.078) 15.390 5.578 ( -0.421 -1.100 1.374) 1.810 5.635 ( -5.526 -0.130 -0.421) 5.543 5.803 ( -2.844 19.151 1.170) 19.397 5.824 ( -4.555 16.225 1.051) 16.885 5.966 ( -0.754 19.336 -0.173) 19.352 5.975 ( -1.355 20.664 -0.532) 20.715 6.601 ( 0.036 6.784 0.426) 6.797 6.609 ( -0.646 5.545 0.140) 5.584 6.677 ( 0.457 7.580 -0.109) 7.594 6.680 ( 0.241 6.879 -0.187) 6.886 7.094 ( 5.354 -3.141 3.501) 7.127 7.210 ( -4.343 -5.512 -0.123) 7.018 7.471 ( 2.117 0.160 -0.524) 2.187 7.483 ( 1.507 1.356 -0.417) 2.070 7.551 ( -0.805 -2.311 0.115) 2.450 7.566 ( -2.128 -2.360 -0.537) 3.223 7.581 ( -0.641 0.180 -3.847) 3.904 7.621 ( -3.410 0.188 -3.885) 5.173 7.938 ( 5.828 -2.731 2.007) 6.742 7.997 ( 0.482 -3.361 0.742) 3.476 8.295 ( 2.856 1.365 -7.189) 7.855 8.339 ( -0.838 0.687 -8.793) 8.860 8.563 ( 6.762 1.215 5.385) 8.729 8.730 ( -6.260 -0.026 6.069) 8.719 8.739 ( 3.678 -0.694 -2.519) 4.511 8.825 ( -4.629 -0.981 0.380) 4.747 9.128 ( 3.698 -2.912 0.223) 4.712 9.205 ( -1.016 -3.194 -1.675) 3.747 9.218 ( -1.219 -4.006 1.443) 4.429 9.263 ( -2.965 -4.013 -0.112) 4.991 9.763 ( 0.596 -2.041 1.076) 2.383 9.786 ( -1.305 -2.090 0.283) 2.481 9.875 ( 1.380 -2.787 0.280) 3.123 9.897 ( -0.520 -3.002 -0.583) 3.102 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 13.563 3.396) 13.982 0.715 ( 0.000 19.226 -1.964) 19.326 1.006 ( 0.000 9.662 -4.027) 10.468 1.057 ( 0.000 5.147 -2.222) 5.606 1.315 ( 0.000 2.204 -0.772) 2.335 1.317 ( 0.000 10.385 3.391) 10.924 1.556 ( 0.000 10.921 -1.164) 10.983 1.596 ( 0.000 5.391 1.311) 5.548 1.612 ( 0.000 6.226 -0.908) 6.292 1.616 ( 0.000 8.447 -0.926) 8.498 1.773 ( 0.000 3.359 2.448) 4.156 1.829 ( 0.000 6.181 0.164) 6.184 1.842 ( 0.000 1.833 -0.836) 2.015 1.950 ( 0.000 13.703 -4.271) 14.353 2.085 ( 0.000 14.186 1.623) 14.279 2.179 ( 0.000 14.536 -3.558) 14.965 2.343 ( 0.000 13.281 0.201) 13.282 2.379 ( 0.000 14.759 -1.158) 14.804 2.478 ( 0.000 14.635 4.555) 15.328 2.625 ( 0.000 13.518 -1.998) 13.665 3.281 ( 0.000 4.136 2.581) 4.875 3.373 ( 0.000 5.271 -1.536) 5.490 3.763 ( 0.000 -3.328 2.087) 3.928 3.850 ( 0.000 -2.993 -1.645) 3.415 5.270 ( 0.000 -1.444 4.353) 4.586 5.423 ( 0.000 -1.643 -2.432) 2.935 5.770 ( 0.000 -5.001 2.602) 5.638 5.814 ( 0.000 -1.584 1.279) 2.035 6.346 ( 0.000 17.586 0.262) 17.588 6.387 ( 0.000 20.768 -1.223) 20.804 6.476 ( 0.000 22.462 6.441) 23.367 6.734 ( 0.000 6.802 -1.858) 7.051 6.790 ( 0.000 9.133 0.806) 9.169 6.836 ( 0.000 15.492 1.118) 15.532 6.910 ( 0.000 13.520 -0.027) 13.520 6.923 ( 0.000 5.483 2.079) 5.864 6.940 ( 0.000 6.977 -5.021) 8.596 7.111 ( 0.000 -3.118 -3.441) 4.644 7.450 ( 0.000 2.508 -0.104) 2.510 7.500 ( 0.000 -3.566 -0.218) 3.573 7.516 ( 0.000 -5.913 -1.726) 6.160 7.526 ( 0.000 0.860 -1.210) 1.484 7.653 ( 0.000 6.489 3.078) 7.182 7.717 ( 0.000 -0.130 0.306) 0.332 7.821 ( 0.000 -0.663 -2.849) 2.925 7.997 ( 0.000 9.046 -17.300) 19.523 8.100 ( 0.000 -1.957 3.082) 3.651 8.293 ( 0.000 -1.200 -8.737) 8.819 8.465 ( 0.000 1.231 3.299) 3.521 8.645 ( 0.000 0.218 -5.390) 5.394 8.789 ( 0.000 -2.598 7.022) 7.487 8.961 ( 0.000 -6.424 5.010) 8.147 8.965 ( 0.000 -1.753 -3.016) 3.488 9.115 ( 0.000 -3.742 6.255) 7.289 9.164 ( 0.000 -6.610 -1.570) 6.794 9.196 ( 0.000 -7.766 -1.601) 7.929 9.729 ( 0.000 -2.529 -0.432) 2.565 9.729 ( 0.000 -2.411 -0.482) 2.459 9.815 ( 0.000 -3.343 0.382) 3.365 9.819 ( 0.000 -3.408 0.460) 3.439 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -2.806 19.041 -0.649) 19.257 0.716 ( 2.311 12.025 0.294) 12.249 0.945 ( -1.071 6.340 -0.334) 6.439 1.148 ( 2.581 3.021 -6.205) 7.368 1.282 ( 0.339 5.466 2.012) 5.835 1.412 ( 3.044 2.067 -2.700) 4.564 1.537 ( -3.497 7.490 -1.346) 8.375 1.562 ( -3.435 9.125 -0.864) 9.789 1.620 ( 2.579 6.377 1.349) 7.010 1.697 ( 5.079 8.435 -0.447) 9.856 1.756 ( -1.657 4.193 2.090) 4.969 1.789 ( 1.629 9.612 1.699) 9.896 1.839 ( -1.513 1.409 1.243) 2.412 1.917 ( -2.293 14.470 -2.623) 14.884 2.105 ( 0.386 14.059 -0.416) 14.071 2.124 ( -3.581 13.312 -1.029) 13.823 2.369 ( 1.695 13.346 0.248) 13.456 2.389 ( 0.627 14.537 -0.666) 14.565 2.565 ( 7.351 15.915 3.065) 17.797 2.703 ( 5.818 14.669 -2.706) 16.011 3.269 ( -1.045 4.257 2.547) 5.069 3.354 ( -2.089 4.348 -1.175) 4.965 3.753 ( -0.383 -3.100 2.002) 3.710 3.842 ( -0.808 -2.854 -1.747) 3.443 5.289 ( 2.032 -0.856 4.199) 4.743 5.434 ( 1.161 -1.276 -2.154) 2.759 5.715 ( -4.516 -3.985 1.952) 6.331 5.732 ( -6.794 -1.240 1.464) 7.059 6.353 ( -0.164 19.299 -0.056) 19.300 6.371 ( -1.460 18.916 -0.109) 18.973 6.440 ( -2.233 26.480 3.255) 26.773 6.640 ( -12.941 16.368 -3.748) 21.200 6.744 ( -1.914 8.027 1.891) 8.466 6.792 ( -0.751 9.725 -0.583) 9.771 6.845 ( 0.539 12.926 1.493) 13.023 6.899 ( -0.744 15.540 -1.267) 15.609 7.004 ( 1.723 2.486 2.058) 3.658 7.133 ( 0.827 -3.701 -3.176) 4.947 7.456 ( 0.411 0.888 -0.396) 1.055 7.493 ( -0.143 -2.980 0.012) 2.984 7.513 ( -0.225 -0.353 -1.613) 1.666 7.522 ( -0.002 -2.131 -0.605) 2.215 7.648 ( -2.584 1.610 -0.724) 3.129 7.697 ( -2.200 0.951 -0.326) 2.419 7.797 ( 1.559 -0.293 0.917) 1.832 7.958 ( -1.890 1.900 -4.251) 5.025 8.211 ( 6.799 0.495 -4.257) 8.037 8.322 ( 1.839 -0.731 -8.985) 9.200 8.497 ( 2.749 1.675 3.365) 4.657 8.664 ( 1.731 -0.601 -3.961) 4.364 8.777 ( -1.260 -1.962 6.595) 6.995 8.895 ( -3.743 -3.415 0.583) 5.101 9.007 ( 1.725 -3.857 1.225) 4.399 9.113 ( -0.238 -5.382 3.810) 6.598 9.153 ( -1.099 -5.623 -1.267) 5.867 9.187 ( -0.934 -7.580 -1.750) 7.835 9.714 ( -0.366 -2.345 0.483) 2.422 9.747 ( 0.414 -2.864 -1.202) 3.134 9.800 ( -0.593 -3.242 1.347) 3.561 9.827 ( 0.126 -3.973 -0.225) 3.981 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 6.285 10.306 -1.567) 12.173 0.772 ( 0.908 7.505 -3.693) 8.414 0.981 ( 3.728 3.676 1.552) 5.461 1.088 ( -5.656 2.678 -2.402) 6.703 1.354 ( 3.733 4.671 -2.653) 6.541 1.420 ( -3.320 3.558 -2.791) 5.610 1.435 ( -2.020 8.072 -1.757) 8.505 1.466 ( -3.474 5.972 -0.521) 6.929 1.678 ( 2.465 4.398 1.094) 5.159 1.724 ( -1.467 3.280 -0.340) 3.609 1.798 ( 2.814 6.440 2.084) 7.331 1.830 ( 1.541 5.523 1.850) 6.025 1.852 ( 0.581 11.732 0.069) 11.746 1.865 ( -1.973 11.129 0.020) 11.302 2.060 ( 0.166 14.096 0.557) 14.108 2.101 ( -1.674 14.716 -1.375) 14.875 2.398 ( 0.675 14.134 -0.076) 14.150 2.400 ( 0.319 14.422 -0.173) 14.427 2.743 ( 7.200 17.780 1.480) 19.240 2.806 ( 1.952 17.548 -1.245) 17.700 3.246 ( -0.439 3.341 1.827) 3.833 3.282 ( -3.621 2.649 0.329) 4.499 3.767 ( 1.693 -2.750 0.619) 3.288 3.812 ( -1.954 -2.668 -1.185) 3.513 5.372 ( 5.649 -0.217 3.397) 6.595 5.471 ( 0.921 -0.943 -0.625) 1.459 5.567 ( -5.998 -0.801 1.774) 6.306 5.602 ( -5.125 -2.199 0.537) 5.603 6.313 ( -0.688 25.826 0.971) 25.853 6.366 ( -2.274 26.396 -1.452) 26.534 6.398 ( -4.578 19.333 -0.139) 19.868 6.404 ( -1.295 22.303 -0.655) 22.350 6.738 ( 0.708 7.174 1.862) 7.445 6.766 ( -1.567 9.342 0.877) 9.513 6.866 ( 1.218 12.107 -0.652) 12.186 6.887 ( -0.628 14.142 -1.220) 14.209 7.054 ( 2.948 1.020 2.895) 4.256 7.117 ( -2.240 -2.070 0.362) 3.071 7.471 ( 1.132 -1.445 -1.055) 2.116 7.495 ( 0.130 -3.238 -0.134) 3.243 7.511 ( -0.718 -1.335 -1.923) 2.449 7.520 ( -0.062 1.156 -0.722) 1.365 7.593 ( -0.873 1.145 -0.845) 1.670 7.623 ( -3.098 0.541 -1.582) 3.520 7.871 ( 3.263 -3.169 2.168) 5.039 7.923 ( -1.700 -3.054 0.479) 3.528 8.324 ( 2.987 1.354 -7.185) 7.898 8.350 ( 0.314 0.243 -8.749) 8.758 8.594 ( 6.100 1.850 5.195) 8.224 8.707 ( -0.383 -1.937 3.537) 4.051 8.734 ( -0.775 -0.179 2.029) 2.179 8.800 ( -4.483 -1.532 0.548) 4.769 9.049 ( 2.213 -5.209 0.243) 5.665 9.098 ( -1.777 -7.666 -0.356) 7.877 9.131 ( 0.194 -4.122 -0.304) 4.137 9.157 ( -1.619 -6.340 -1.537) 6.722 9.716 ( 0.578 -2.357 1.006) 2.627 9.737 ( -1.086 -2.586 0.285) 2.819 9.804 ( 0.808 -4.078 0.272) 4.166 9.822 ( -0.601 -4.448 -0.369) 4.503 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 0.000 10.008 2.139) 10.234 1.059 ( 0.000 13.808 -4.650) 14.570 1.152 ( 0.000 6.422 -1.127) 6.520 1.211 ( 0.000 10.861 -5.408) 12.133 1.388 ( 0.000 5.656 -0.380) 5.668 1.403 ( 0.000 3.578 1.174) 3.766 1.673 ( 0.000 2.958 -1.196) 3.191 1.725 ( 0.000 6.599 -0.750) 6.641 1.730 ( 0.000 4.069 -0.484) 4.098 1.769 ( 0.000 6.056 -0.614) 6.087 1.843 ( 0.000 3.379 2.183) 4.023 1.863 ( 0.000 5.783 0.982) 5.866 2.167 ( 0.000 21.396 2.911) 21.593 2.282 ( 0.000 15.991 -1.859) 16.099 2.359 ( 0.000 12.428 1.702) 12.544 2.457 ( 0.000 12.789 -2.798) 13.091 2.570 ( 0.000 9.681 0.750) 9.710 2.628 ( 0.000 9.791 -1.728) 9.942 2.813 ( 0.000 19.898 2.908) 20.110 2.949 ( 0.000 18.791 -3.127) 19.049 3.410 ( 0.000 9.392 3.036) 9.870 3.518 ( 0.000 9.582 -1.856) 9.760 3.682 ( 0.000 -4.632 2.408) 5.220 3.773 ( 0.000 -4.890 -1.512) 5.118 5.268 ( 0.000 1.336 4.109) 4.320 5.401 ( 0.000 -0.394 -1.687) 1.732 5.670 ( 0.000 -5.008 2.269) 5.497 5.728 ( 0.000 -5.600 -0.145) 5.602 6.567 ( 0.000 5.760 -0.300) 5.768 6.573 ( 0.000 0.531 -0.328) 0.624 6.738 ( 0.000 5.538 2.418) 6.043 6.910 ( 0.000 5.152 -5.755) 7.724 6.926 ( 0.000 0.753 2.249) 2.372 6.980 ( 0.000 7.590 4.399) 8.773 7.033 ( 0.000 0.982 -1.149) 1.512 7.128 ( 0.000 9.696 -1.710) 9.846 7.184 ( 0.000 18.905 3.067) 19.152 7.311 ( 0.000 19.793 -2.421) 19.941 7.391 ( 0.000 -6.603 -0.298) 6.609 7.420 ( 0.000 -2.766 -1.290) 3.052 7.518 ( 0.000 2.879 -0.307) 2.895 7.535 ( 0.000 0.027 -0.517) 0.518 7.711 ( 0.000 -0.597 1.047) 1.205 7.791 ( 0.000 -1.783 -0.955) 2.023 7.863 ( 0.000 12.697 2.205) 12.887 8.069 ( 0.000 -0.026 3.519) 3.519 8.091 ( 0.000 2.383 -5.730) 6.206 8.292 ( 0.000 1.386 -9.774) 9.872 8.500 ( 0.000 2.151 2.596) 3.371 8.612 ( 0.000 -3.477 -0.209) 3.483 8.731 ( 0.000 -2.778 4.719) 5.476 8.822 ( 0.000 -7.444 4.617) 8.760 8.913 ( 0.000 -3.846 -4.049) 5.585 9.023 ( 0.000 -8.752 -4.104) 9.667 9.062 ( 0.000 -4.217 2.577) 4.943 9.108 ( 0.000 1.589 -0.064) 1.590 9.693 ( 0.000 -0.494 -0.280) 0.568 9.701 ( 0.000 -0.436 -0.963) 1.057 9.757 ( 0.000 -2.397 0.960) 2.582 9.757 ( 0.000 -2.121 0.599) 2.204 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 1.441 10.514 0.349) 10.618 0.999 ( -3.684 15.224 -3.457) 16.040 1.079 ( -3.669 8.743 0.238) 9.484 1.215 ( -1.377 4.404 -5.188) 6.944 1.391 ( 2.015 6.369 0.490) 6.698 1.448 ( 1.431 3.139 -2.148) 4.064 1.668 ( -1.186 4.433 -1.457) 4.815 1.682 ( -4.340 4.956 -0.762) 6.631 1.755 ( 1.846 6.674 1.049) 7.004 1.798 ( 2.095 5.109 -0.275) 5.529 1.836 ( 1.301 6.376 2.101) 6.838 1.870 ( 0.432 4.545 1.082) 4.692 2.189 ( 1.708 20.314 1.401) 20.433 2.241 ( -3.349 16.524 -0.770) 16.877 2.364 ( 0.181 11.217 -0.074) 11.219 2.381 ( -5.253 12.137 -0.774) 13.247 2.599 ( 2.350 9.608 0.403) 9.899 2.635 ( 0.699 9.890 -1.198) 9.987 2.912 ( 7.685 19.357 1.994) 20.922 3.022 ( 5.610 17.317 -2.832) 18.422 3.398 ( -1.161 9.149 2.717) 9.614 3.487 ( -2.920 9.406 -1.159) 9.917 3.681 ( 0.199 -3.972 2.134) 4.513 3.768 ( -0.517 -4.573 -1.522) 4.848 5.291 ( 2.197 1.198 3.932) 4.661 5.415 ( 1.241 -0.435 -1.434) 1.945 5.638 ( -2.713 -3.720 1.745) 4.924 5.670 ( -4.875 -3.923 0.414) 6.271 6.537 ( -1.928 0.083 0.413) 1.974 6.572 ( 0.220 4.412 -1.103) 4.553 6.775 ( 1.191 6.539 1.383) 6.789 6.857 ( -3.858 7.790 -0.124) 8.694 6.879 ( -3.158 2.577 -0.221) 4.082 6.983 ( 0.020 8.727 0.337) 8.734 7.026 ( 0.011 3.860 0.371) 3.878 7.143 ( 0.645 9.353 -1.220) 9.455 7.192 ( 1.333 16.908 2.738) 17.180 7.302 ( -1.158 19.023 -2.579) 19.232 7.392 ( 0.200 -5.490 -0.109) 5.495 7.427 ( 0.647 -3.006 -1.185) 3.295 7.516 ( -0.878 1.194 -0.495) 1.563 7.526 ( -0.155 -0.434 -0.377) 0.596 7.657 ( -3.936 -0.783 1.073) 4.154 7.730 ( -4.927 -0.908 -1.748) 5.306 7.859 ( 1.212 9.965 3.725) 10.707 8.010 ( -2.555 3.951 -0.123) 4.706 8.225 ( 7.013 0.820 -4.294) 8.264 8.316 ( 1.696 0.394 -8.427) 8.605 8.542 ( 3.467 2.696 2.830) 5.225 8.625 ( 1.217 -3.298 1.283) 3.742 8.735 ( 0.163 -2.312 3.923) 4.557 8.806 ( -1.455 -5.262 3.406) 6.435 8.904 ( -0.469 -6.799 -2.500) 7.259 9.012 ( -2.147 -4.132 0.226) 4.662 9.033 ( -0.383 -7.643 -1.188) 7.744 9.111 ( -0.667 0.519 -1.358) 1.599 9.686 ( -0.265 -0.082 0.199) 0.341 9.705 ( 0.085 -1.014 -0.827) 1.312 9.746 ( -0.732 -1.868 1.006) 2.245 9.755 ( -0.453 -2.915 0.330) 2.968 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.037 13.393 -2.729) 13.668 0.965 ( -1.021 10.943 -3.396) 11.503 1.070 ( 2.939 5.780 1.681) 6.698 1.153 ( -3.848 4.044 -1.862) 5.885 1.441 ( 1.887 4.876 -2.018) 5.605 1.460 ( -0.085 3.201 -2.497) 4.060 1.589 ( -2.204 8.152 0.088) 8.445 1.613 ( -3.241 7.375 -1.518) 8.197 1.790 ( 1.402 6.426 0.676) 6.612 1.815 ( -0.668 5.368 -0.174) 5.413 1.895 ( 2.723 5.545 1.361) 6.326 1.904 ( 2.053 4.804 1.372) 5.402 2.168 ( -2.128 17.261 0.907) 17.415 2.186 ( -2.687 17.929 0.534) 18.137 2.321 ( 0.937 10.955 -0.213) 10.997 2.355 ( -1.166 10.285 -1.502) 10.459 2.645 ( 1.348 10.325 -0.113) 10.414 2.652 ( 0.537 10.447 -0.388) 10.468 3.090 ( 7.034 17.277 0.591) 18.663 3.135 ( 3.231 15.454 -1.445) 15.854 3.363 ( -1.365 8.889 1.964) 9.205 3.398 ( -4.438 9.613 0.712) 10.612 3.703 ( 1.767 -3.413 0.681) 3.903 3.744 ( -1.678 -3.867 -0.946) 4.321 5.368 ( 4.647 0.067 3.100) 5.587 5.443 ( 0.040 -1.469 0.102) 1.473 5.553 ( -3.869 -0.294 1.004) 4.008 5.568 ( -3.214 -1.062 0.624) 3.442 6.522 ( 0.767 -0.345 0.729) 1.113 6.559 ( -1.752 0.621 -0.616) 1.958 6.739 ( -1.036 10.068 -1.794) 10.279 6.776 ( -3.723 10.838 -3.383) 11.948 6.882 ( 2.675 7.550 4.469) 9.172 6.947 ( -2.892 8.987 4.221) 10.341 7.070 ( 3.387 6.491 -2.332) 7.684 7.135 ( -1.804 7.863 -2.285) 8.384 7.239 ( 2.244 16.138 1.976) 16.413 7.272 ( -1.134 18.734 -0.013) 18.768 7.404 ( 1.085 -4.074 0.075) 4.216 7.433 ( -0.704 -2.819 -0.309) 2.922 7.485 ( -0.734 -1.091 -2.423) 2.757 7.512 ( -2.011 -2.679 -2.482) 4.169 7.601 ( 0.126 -1.171 2.065) 2.377 7.640 ( -2.897 -1.059 0.174) 3.090 7.902 ( 2.386 8.506 2.444) 9.166 7.956 ( -2.471 7.272 0.985) 7.744 8.333 ( 2.518 -0.802 -7.517) 7.968 8.348 ( 0.828 -0.256 -7.655) 7.704 8.630 ( 3.875 1.700 4.524) 6.195 8.660 ( 1.380 -2.878 4.446) 5.473 8.729 ( -0.370 -0.847 2.012) 2.214 8.761 ( -2.540 -2.343 1.242) 3.672 8.910 ( 1.219 -8.753 0.432) 8.848 8.954 ( -2.561 -6.221 2.225) 7.086 9.043 ( 0.996 -4.686 -3.583) 5.982 9.077 ( -1.985 -1.184 -2.786) 3.620 9.688 ( 0.398 -0.157 0.724) 0.841 9.700 ( -0.551 -0.740 0.267) 0.960 9.734 ( -0.104 -2.540 0.289) 2.559 9.741 ( -0.622 -3.196 0.011) 3.256 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 0.000 8.934 0.362) 8.941 1.221 ( 0.000 6.342 -4.352) 7.692 1.316 ( 0.000 7.475 -0.828) 7.521 1.377 ( 0.000 5.998 -3.895) 7.152 1.521 ( 0.000 7.702 -1.081) 7.778 1.545 ( 0.000 9.283 -2.996) 9.754 1.708 ( 0.000 1.536 0.152) 1.543 1.735 ( 0.000 0.066 -1.491) 1.493 1.883 ( 0.000 7.771 0.443) 7.784 1.900 ( 0.000 6.643 -0.890) 6.703 1.974 ( 0.000 8.174 3.188) 8.774 1.992 ( 0.000 7.532 2.299) 7.875 2.481 ( 0.000 9.461 0.749) 9.491 2.520 ( 0.000 4.508 2.109) 4.977 2.522 ( 0.000 8.262 -0.854) 8.306 2.610 ( 0.000 1.965 -2.077) 2.859 2.744 ( 0.000 8.580 0.610) 8.602 2.790 ( 0.000 8.109 -1.305) 8.214 3.218 ( 0.000 18.818 1.384) 18.868 3.276 ( 0.000 10.224 -0.975) 10.270 3.613 ( 0.000 7.335 1.153) 7.425 3.659 ( 0.000 9.432 2.541) 9.768 3.676 ( 0.000 -2.371 -1.038) 2.588 3.738 ( 0.000 11.506 -1.347) 11.584 5.316 ( 0.000 3.265 3.199) 4.571 5.409 ( 0.000 1.063 -0.880) 1.380 5.583 ( 0.000 -3.766 1.920) 4.227 5.623 ( 0.000 -4.876 0.192) 4.880 6.535 ( 0.000 -3.073 0.923) 3.209 6.614 ( 0.000 -0.226 -3.347) 3.355 6.766 ( 0.000 -0.990 3.471) 3.609 6.887 ( 0.000 -3.457 -2.185) 4.089 6.936 ( 0.000 0.730 2.126) 2.248 7.091 ( 0.000 3.755 4.457) 5.828 7.099 ( 0.000 3.780 -4.819) 6.125 7.229 ( 0.000 -4.798 -1.385) 4.994 7.354 ( 0.000 6.573 -0.985) 6.647 7.360 ( 0.000 -2.313 -0.640) 2.400 7.491 ( 0.000 6.287 0.898) 6.351 7.528 ( 0.000 3.935 2.108) 4.464 7.537 ( 0.000 -0.982 -1.547) 1.832 7.630 ( 0.000 9.925 -1.901) 10.105 7.701 ( 0.000 0.149 1.559) 1.566 7.768 ( 0.000 0.743 -1.363) 1.552 8.048 ( 0.000 6.112 0.359) 6.122 8.141 ( 0.000 3.086 -2.754) 4.136 8.160 ( 0.000 8.476 3.915) 9.337 8.331 ( 0.000 2.029 -5.603) 5.959 8.532 ( 0.000 -4.166 3.150) 5.223 8.538 ( 0.000 1.336 1.043) 1.695 8.652 ( 0.000 -6.468 3.324) 7.272 8.729 ( 0.000 -0.631 1.828) 1.934 8.812 ( 0.000 -7.380 -4.150) 8.467 8.867 ( 0.000 -5.296 -3.911) 6.583 9.009 ( 0.000 -2.189 3.852) 4.430 9.130 ( 0.000 -0.085 -2.233) 2.235 9.706 ( 0.000 0.853 0.381) 0.934 9.720 ( 0.000 3.118 -0.208) 3.125 9.751 ( 0.000 1.831 0.547) 1.911 9.761 ( 0.000 3.336 0.100) 3.337 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( 1.450 8.404 -0.154) 8.529 1.198 ( -1.649 8.120 -3.147) 8.863 1.285 ( -2.576 8.582 -1.444) 9.075 1.320 ( -4.069 6.653 -3.211) 8.434 1.523 ( 0.304 6.254 -1.628) 6.470 1.545 ( -0.208 5.937 -2.524) 6.455 1.733 ( 1.454 3.101 -0.683) 3.492 1.747 ( 0.493 2.489 -1.118) 2.773 1.891 ( 0.699 7.225 0.990) 7.326 1.915 ( 0.979 6.206 -0.478) 6.301 1.987 ( 1.422 8.441 2.454) 8.905 1.999 ( 0.827 8.221 2.095) 8.524 2.474 ( -0.450 7.329 -0.057) 7.343 2.477 ( -1.853 5.246 -0.178) 5.566 2.540 ( -0.797 8.518 0.760) 8.589 2.574 ( -3.340 7.581 -0.730) 8.316 2.750 ( 1.224 6.585 0.366) 6.708 2.782 ( 0.106 6.177 -0.972) 6.254 3.271 ( 3.886 14.004 0.488) 14.542 3.303 ( 2.029 7.558 -0.469) 7.839 3.593 ( -1.520 8.874 1.828) 9.187 3.661 ( 1.223 4.831 0.808) 5.049 3.696 ( -0.548 8.538 -0.889) 8.602 3.723 ( -0.364 7.336 -0.262) 7.350 5.332 ( 1.450 2.715 3.156) 4.408 5.418 ( 0.718 0.677 -0.595) 1.152 5.576 ( -0.595 -2.503 1.462) 2.959 5.599 ( -1.923 -3.086 0.497) 3.670 6.490 ( -2.653 -3.373 1.583) 4.574 6.595 ( -2.409 -0.854 -3.257) 4.140 6.797 ( 1.684 -2.239 1.887) 3.378 6.864 ( -1.062 -2.213 -0.601) 2.527 6.949 ( 1.278 2.612 1.152) 3.128 7.102 ( 0.757 3.382 2.888) 4.512 7.117 ( 1.517 4.478 -3.699) 6.003 7.245 ( 1.279 -3.121 -1.586) 3.727 7.337 ( -0.991 2.446 -0.305) 2.657 7.379 ( 0.831 -0.001 -1.293) 1.537 7.439 ( -3.111 5.230 2.405) 6.543 7.489 ( -2.324 -2.696 0.526) 3.598 7.567 ( 0.894 3.011 -0.932) 3.276 7.598 ( -2.548 5.760 -1.757) 6.539 7.666 ( -2.542 5.698 1.467) 6.410 7.726 ( -3.288 4.099 -1.039) 5.356 8.063 ( 1.418 7.302 0.994) 7.504 8.123 ( 0.206 8.381 2.377) 8.714 8.235 ( 3.788 0.155 -3.089) 4.890 8.336 ( 0.520 1.374 -5.598) 5.788 8.549 ( 1.368 -4.091 4.265) 6.066 8.585 ( 3.729 0.871 1.219) 4.019 8.661 ( 0.761 -5.362 2.005) 5.775 8.729 ( 0.508 -2.634 2.202) 3.470 8.790 ( -3.141 -3.736 -3.598) 6.063 8.888 ( 2.930 -6.071 -3.324) 7.517 8.962 ( -3.696 -2.194 4.229) 6.030 9.122 ( -1.264 -0.453 -3.141) 3.416 9.709 ( 0.208 1.372 0.436) 1.455 9.721 ( 0.063 3.269 -0.020) 3.270 9.742 ( -0.667 2.078 0.467) 2.232 9.750 ( -0.946 3.008 0.168) 3.158 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 1.353 8.585 -1.567) 8.831 1.174 ( -0.239 10.372 -2.614) 10.699 1.220 ( -1.899 9.213 -1.196) 9.483 1.245 ( -2.733 5.393 -2.217) 6.440 1.530 ( 0.319 3.922 -1.722) 4.295 1.538 ( -0.376 3.693 -1.701) 4.083 1.745 ( 0.113 6.843 -1.010) 6.918 1.752 ( -0.144 6.526 -1.248) 6.646 1.909 ( 0.820 6.067 0.994) 6.202 1.923 ( -0.308 5.809 0.416) 5.832 2.028 ( 1.655 7.993 1.432) 8.288 2.031 ( 1.431 8.168 1.441) 8.416 2.444 ( -0.670 6.876 0.309) 6.916 2.462 ( -1.324 4.201 0.312) 4.416 2.497 ( -1.589 11.770 -0.524) 11.888 2.507 ( -1.667 9.317 -0.360) 9.472 2.789 ( 1.489 4.774 0.047) 5.001 2.797 ( 0.658 4.802 -0.275) 4.854 3.336 ( 1.788 3.370 -0.382) 3.834 3.348 ( 1.181 4.067 -0.656) 4.286 3.581 ( 1.185 13.486 2.290) 13.730 3.640 ( -3.376 14.164 0.548) 14.571 3.699 ( 1.787 5.881 -0.126) 6.148 3.725 ( -0.424 5.110 -0.441) 5.146 5.377 ( 2.538 0.890 2.652) 3.778 5.422 ( -0.945 -0.538 0.890) 1.405 5.557 ( -0.818 0.448 0.568) 1.092 5.562 ( -1.006 0.297 0.611) 1.214 6.462 ( 0.580 -3.791 1.053) 3.977 6.516 ( -3.880 -3.135 -1.054) 5.099 6.823 ( 1.088 -0.401 -0.871) 1.450 6.847 ( -0.940 -0.719 -1.362) 1.805 7.006 ( 3.786 4.246 2.577) 6.245 7.088 ( -2.795 4.631 3.681) 6.542 7.168 ( 3.362 3.969 -4.576) 6.928 7.243 ( -2.549 2.963 -3.750) 5.416 7.336 ( 1.967 -2.025 1.319) 3.116 7.388 ( 0.010 -1.576 -0.299) 1.604 7.396 ( -1.090 0.195 1.514) 1.875 7.435 ( -2.337 -3.962 0.369) 4.615 7.551 ( -0.299 0.598 0.161) 0.688 7.575 ( -1.061 -1.878 0.239) 2.170 7.624 ( -0.291 14.695 -0.659) 14.712 7.656 ( -2.638 11.195 -0.802) 11.529 8.101 ( 1.713 7.727 2.106) 8.190 8.126 ( -0.415 8.473 3.020) 9.005 8.305 ( 2.624 -1.420 -6.458) 7.114 8.341 ( -0.532 -0.014 -6.298) 6.320 8.589 ( 2.534 -4.144 4.688) 6.751 8.655 ( -2.122 -1.489 2.428) 3.552 8.672 ( 2.931 -2.158 -0.195) 3.645 8.716 ( -1.946 -3.352 -0.452) 3.902 8.768 ( 3.200 -4.578 3.073) 6.374 8.864 ( -4.940 -3.031 4.059) 7.076 8.974 ( 4.444 -2.790 -3.886) 6.529 9.066 ( -3.676 -1.037 -4.006) 5.535 9.714 ( 0.308 2.158 0.498) 2.236 9.723 ( 0.074 3.539 0.321) 3.554 9.726 ( -0.714 2.438 0.245) 2.552 9.730 ( -0.566 2.550 0.319) 2.631 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( 0.000 9.030 -1.392) 9.137 1.350 ( 0.000 6.767 -3.997) 7.859 1.441 ( 0.000 5.793 -0.494) 5.814 1.481 ( 0.000 4.926 -2.636) 5.587 1.634 ( 0.000 3.358 -2.192) 4.010 1.669 ( 0.000 2.620 -4.481) 5.191 1.740 ( 0.000 1.366 1.066) 1.733 1.755 ( 0.000 1.571 0.178) 1.581 2.018 ( 0.000 5.728 -0.431) 5.745 2.022 ( 0.000 6.608 -0.542) 6.630 2.146 ( 0.000 9.386 2.619) 9.744 2.153 ( 0.000 8.620 1.939) 8.836 2.505 ( 0.000 -2.376 0.568) 2.443 2.556 ( 0.000 -4.170 -2.088) 4.664 2.615 ( 0.000 2.425 0.615) 2.502 2.626 ( 0.000 0.864 0.323) 0.922 2.887 ( 0.000 5.763 0.846) 5.825 2.926 ( 0.000 5.441 -0.782) 5.497 3.277 ( 0.000 -5.408 2.526) 5.968 3.355 ( 0.000 -4.191 -1.017) 4.313 3.803 ( 0.000 14.380 1.304) 14.439 3.852 ( 0.000 14.560 -1.083) 14.600 3.902 ( 0.000 12.266 1.777) 12.394 3.965 ( 0.000 10.761 -1.134) 10.821 5.383 ( 0.000 3.284 2.055) 3.874 5.435 ( 0.000 1.357 -0.345) 1.400 5.528 ( 0.000 -1.842 1.870) 2.625 5.546 ( 0.000 -2.861 0.932) 3.009 6.480 ( 0.000 -2.150 1.342) 2.534 6.580 ( 0.000 -2.724 -3.704) 4.597 6.745 ( 0.000 -0.650 2.600) 2.680 6.829 ( 0.000 -2.337 -1.636) 2.853 6.958 ( 0.000 1.625 2.347) 2.855 7.126 ( 0.000 -3.697 -0.311) 3.710 7.139 ( 0.000 1.548 3.203) 3.558 7.163 ( 0.000 2.200 -4.073) 4.629 7.330 ( 0.000 -0.797 0.127) 0.807 7.417 ( 0.000 -5.991 0.851) 6.051 7.449 ( 0.000 1.611 -3.736) 4.069 7.458 ( 0.000 -5.649 -1.164) 5.768 7.701 ( 0.000 7.293 1.364) 7.419 7.725 ( 0.000 2.052 2.447) 3.194 7.744 ( 0.000 2.558 -0.395) 2.588 7.816 ( 0.000 3.242 -1.682) 3.652 8.177 ( 0.000 7.097 0.017) 7.097 8.204 ( 0.000 3.308 -0.844) 3.414 8.295 ( 0.000 4.745 1.267) 4.911 8.361 ( 0.000 1.190 -2.475) 2.746 8.461 ( 0.000 -2.958 2.788) 4.065 8.536 ( 0.000 -4.713 2.787) 5.475 8.537 ( 0.000 -1.443 -0.411) 1.500 8.651 ( 0.000 -7.889 -2.845) 8.387 8.743 ( 0.000 1.302 0.307) 1.338 8.814 ( 0.000 -1.225 -3.526) 3.733 8.960 ( 0.000 -2.813 4.047) 4.929 9.093 ( 0.000 -3.595 -2.468) 4.361 9.750 ( 0.000 3.628 1.281) 3.847 9.796 ( 0.000 4.373 -0.819) 4.449 9.828 ( 0.000 5.175 1.027) 5.276 9.858 ( 0.000 5.632 -0.431) 5.648 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 0.696 8.613 -1.480) 8.767 1.348 ( -0.020 7.196 -3.652) 8.070 1.417 ( -2.020 6.133 -0.847) 6.513 1.454 ( -2.296 6.171 -2.627) 7.089 1.607 ( -1.668 2.277 -1.495) 3.194 1.632 ( -2.442 2.934 -1.892) 4.260 1.768 ( 2.352 0.259 -0.692) 2.465 1.795 ( 2.065 1.304 -0.958) 2.623 2.030 ( 1.079 6.718 0.089) 6.805 2.039 ( 1.190 7.110 -0.053) 7.209 2.157 ( 1.232 8.880 1.696) 9.124 2.172 ( 1.424 9.107 1.320) 9.312 2.488 ( -0.967 -1.678 0.772) 2.085 2.520 ( -1.970 -1.311 -0.692) 2.465 2.642 ( 1.065 1.231 0.501) 1.703 2.660 ( 1.882 1.054 -0.361) 2.187 2.865 ( -1.467 4.963 0.584) 5.208 2.893 ( -2.421 4.812 -0.535) 5.413 3.273 ( -0.308 -5.832 1.767) 6.102 3.328 ( -2.141 -5.659 -0.725) 6.094 3.823 ( 1.662 14.622 1.424) 14.784 3.873 ( 1.544 13.525 -0.891) 13.642 3.908 ( 0.419 11.857 1.175) 11.922 3.950 ( -1.253 11.363 -0.805) 11.460 5.387 ( 0.425 2.769 2.205) 3.565 5.435 ( -0.135 0.926 0.169) 0.951 5.540 ( 0.997 -1.293 1.360) 2.125 5.553 ( 0.613 -1.693 0.850) 1.991 6.438 ( -2.507 -1.500 1.979) 3.529 6.572 ( -2.446 -1.166 -4.625) 5.361 6.732 ( -0.025 -3.619 2.958) 4.674 6.815 ( -0.816 -2.624 -1.336) 3.056 6.988 ( 2.434 1.777 1.648) 3.435 7.123 ( 0.230 -1.315 0.876) 1.597 7.177 ( 1.728 2.072 -3.788) 4.651 7.184 ( 2.819 -1.202 1.266) 3.316 7.326 ( -0.395 -1.211 0.424) 1.342 7.399 ( -1.621 -5.093 0.837) 5.410 7.429 ( -1.659 -0.818 -3.076) 3.589 7.448 ( -1.511 -1.823 -1.226) 2.666 7.623 ( -4.556 4.670 1.084) 6.614 7.643 ( -4.073 2.659 0.877) 4.942 7.797 ( 2.069 3.960 0.990) 4.576 7.858 ( 1.737 6.144 -1.313) 6.518 8.176 ( 0.013 5.783 0.450) 5.801 8.231 ( 1.792 0.850 -1.784) 2.668 8.279 ( -0.793 5.292 1.530) 5.565 8.362 ( 0.168 1.282 -2.875) 3.152 8.480 ( 1.423 -2.676 3.304) 4.484 8.537 ( 1.258 -4.030 1.805) 4.591 8.589 ( 3.024 -2.917 -0.443) 4.225 8.650 ( 0.452 -5.301 -1.184) 5.450 8.766 ( -1.893 0.269 -1.587) 2.485 8.813 ( 3.200 -1.823 -2.098) 4.239 8.917 ( -3.510 -2.513 4.475) 6.217 9.076 ( -1.747 -4.049 -3.027) 5.348 9.764 ( 1.082 4.122 1.103) 4.402 9.801 ( 0.387 4.636 -0.582) 4.689 9.825 ( -0.232 5.449 0.816) 5.515 9.846 ( -1.011 5.797 -0.226) 5.888 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 1.740 7.577 -1.750) 7.969 1.352 ( -0.253 6.416 -3.216) 7.181 1.368 ( -1.394 8.315 -1.301) 8.531 1.397 ( -2.471 8.280 -2.419) 8.973 1.581 ( -0.486 1.428 -0.743) 1.681 1.590 ( -1.266 1.807 -0.683) 2.310 1.813 ( 1.417 -0.025 -1.548) 2.099 1.824 ( 0.470 0.416 -1.609) 1.727 2.055 ( 0.900 8.511 0.950) 8.611 2.060 ( 0.480 8.614 0.873) 8.671 2.191 ( 1.404 8.006 0.181) 8.130 2.200 ( 0.692 8.473 0.086) 8.502 2.480 ( 0.222 0.013 1.051) 1.074 2.490 ( -0.708 0.401 0.711) 1.080 2.646 ( -0.148 3.176 0.285) 3.192 2.664 ( -1.339 3.566 -0.459) 3.837 2.851 ( 0.205 2.091 0.173) 2.108 2.858 ( -0.523 1.981 -0.148) 2.054 3.267 ( -0.098 -6.962 0.568) 6.985 3.282 ( -1.628 -7.410 -0.113) 7.587 3.864 ( 1.935 13.910 1.226) 14.097 3.898 ( -0.321 12.115 0.330) 12.123 3.913 ( 0.230 12.183 -0.304) 12.189 3.923 ( -0.620 12.226 -0.364) 12.247 5.402 ( 0.938 1.706 2.149) 2.900 5.424 ( -0.877 0.732 1.365) 1.780 5.562 ( 0.739 -0.197 0.652) 1.005 5.566 ( 0.333 -0.250 0.617) 0.744 6.413 ( 0.794 -0.751 1.122) 1.567 6.477 ( -4.671 -0.342 -1.570) 4.939 6.759 ( 1.828 -5.184 0.440) 5.515 6.794 ( -1.267 -4.145 -0.991) 4.446 7.057 ( 3.626 1.367 1.439) 4.133 7.119 ( -1.323 -0.473 1.747) 2.241 7.226 ( 2.434 1.321 -4.084) 4.934 7.246 ( 1.957 -1.742 -1.332) 2.939 7.311 ( -0.508 -1.424 0.293) 1.541 7.349 ( -2.893 -3.879 0.860) 4.915 7.387 ( -1.235 0.447 -2.188) 2.552 7.400 ( -2.038 -0.286 -0.571) 2.136 7.559 ( -0.821 2.891 1.783) 3.494 7.577 ( -1.991 2.873 1.683) 3.879 7.836 ( 1.671 6.400 -0.307) 6.622 7.866 ( -0.811 7.623 -1.286) 7.773 8.184 ( 0.863 3.000 1.124) 3.318 8.215 ( -1.894 0.842 0.751) 2.204 8.322 ( 3.053 3.220 -2.001) 4.868 8.362 ( -0.545 1.878 -3.052) 3.625 8.519 ( 2.487 -2.638 2.737) 4.542 8.569 ( -0.184 -4.021 0.264) 4.034 8.638 ( 1.111 -3.748 -0.626) 3.959 8.655 ( -0.635 -3.281 -0.611) 3.397 8.735 ( 1.708 0.615 3.226) 3.702 8.818 ( -4.612 -1.892 3.254) 5.953 8.915 ( 4.720 -3.488 -2.645) 6.438 9.013 ( -3.948 -4.345 -3.526) 6.848 9.790 ( 1.223 5.219 0.703) 5.407 9.810 ( 0.249 5.350 -0.114) 5.357 9.817 ( -0.620 5.653 0.397) 5.701 9.822 ( -0.756 5.754 0.226) 5.808 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( 0.000 7.174 -2.820) 7.709 1.472 ( 0.000 5.362 -3.575) 6.444 1.536 ( 0.000 3.491 -1.172) 3.682 1.557 ( 0.000 2.468 -2.553) 3.551 1.663 ( 0.000 0.101 -0.988) 0.993 1.679 ( 0.000 -0.826 -2.391) 2.530 1.747 ( 0.000 -0.424 1.087) 1.167 1.763 ( 0.000 -0.759 0.132) 0.771 2.135 ( 0.000 6.267 -0.694) 6.306 2.148 ( 0.000 6.359 -1.484) 6.529 2.311 ( 0.000 7.222 0.863) 7.273 2.317 ( 0.000 7.033 1.482) 7.188 2.440 ( 0.000 -4.039 0.109) 4.040 2.459 ( 0.000 -4.743 -1.733) 5.050 2.600 ( 0.000 -3.072 1.284) 3.329 2.611 ( 0.000 -2.290 0.435) 2.331 2.975 ( 0.000 3.780 0.900) 3.886 3.008 ( 0.000 3.409 -0.540) 3.452 3.165 ( 0.000 -5.429 2.546) 5.997 3.226 ( 0.000 -7.176 -0.282) 7.181 4.052 ( 0.000 9.380 1.102) 9.444 4.075 ( 0.000 7.640 0.570) 7.662 4.108 ( 0.000 8.123 -0.009) 8.123 4.135 ( 0.000 6.260 -0.734) 6.303 5.433 ( 0.000 1.732 0.810) 1.912 5.453 ( 0.000 0.412 -0.218) 0.466 5.509 ( 0.000 -0.284 2.183) 2.201 5.512 ( 0.000 -0.772 1.876) 2.029 6.460 ( 0.000 0.095 1.119) 1.123 6.525 ( 0.000 -2.706 -1.661) 3.175 6.747 ( 0.000 0.757 0.028) 0.757 6.794 ( 0.000 -1.420 -1.970) 2.429 7.007 ( 0.000 3.567 1.841) 4.014 7.083 ( 0.000 -0.515 1.972) 2.039 7.158 ( 0.000 0.221 3.671) 3.678 7.205 ( 0.000 1.936 -4.777) 5.154 7.279 ( 0.000 -7.270 1.440) 7.411 7.303 ( 0.000 -2.966 -2.721) 4.025 7.376 ( 0.000 -1.084 0.015) 1.084 7.444 ( 0.000 -1.872 -3.146) 3.661 7.749 ( 0.000 0.749 1.468) 1.648 7.762 ( 0.000 -0.066 0.423) 0.428 7.818 ( 0.000 4.271 0.901) 4.365 7.867 ( 0.000 1.581 -0.893) 1.816 8.271 ( 0.000 3.522 1.043) 3.673 8.309 ( 0.000 5.999 -0.604) 6.029 8.346 ( 0.000 0.664 0.496) 0.829 8.384 ( 0.000 1.159 -1.537) 1.925 8.426 ( 0.000 -0.335 1.012) 1.066 8.471 ( 0.000 -2.277 1.766) 2.881 8.492 ( 0.000 -3.006 -1.517) 3.367 8.525 ( 0.000 -4.855 -1.109) 4.980 8.766 ( 0.000 0.997 -0.058) 0.998 8.799 ( 0.000 -0.530 -2.033) 2.101 8.911 ( 0.000 -1.559 2.704) 3.121 9.005 ( 0.000 -4.944 -1.782) 5.256 9.830 ( 0.000 4.055 1.234) 4.239 9.873 ( 0.000 2.879 -0.667) 2.956 9.919 ( 0.000 3.797 0.904) 3.903 9.949 ( 0.000 3.079 -0.439) 3.110 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -0.095 6.590 -2.692) 7.120 1.471 ( -0.077 5.240 -3.711) 6.421 1.518 ( -1.393 3.572 -1.021) 3.968 1.543 ( -1.180 2.615 -2.526) 3.823 1.630 ( -1.748 0.752 -0.004) 1.903 1.674 ( -1.624 1.630 -1.730) 2.879 1.744 ( 0.807 -2.344 0.288) 2.496 1.781 ( 0.707 -2.294 -0.638) 2.484 2.159 ( 2.090 6.738 -0.352) 7.063 2.182 ( 2.735 7.018 -1.251) 7.635 2.311 ( 0.136 6.531 0.169) 6.535 2.340 ( 1.246 7.305 -0.373) 7.420 2.442 ( 0.849 -3.083 1.333) 3.464 2.472 ( 1.037 -2.652 0.093) 2.849 2.608 ( 0.636 -3.860 1.173) 4.084 2.631 ( 1.502 -3.422 -0.053) 3.737 2.946 ( -2.439 3.812 0.740) 4.585 2.969 ( -3.195 3.579 -0.243) 4.803 3.152 ( -1.087 -6.094 1.773) 6.440 3.191 ( -2.821 -7.262 -0.004) 7.791 4.063 ( 0.898 8.923 0.974) 9.021 4.085 ( 0.794 7.477 0.425) 7.531 4.107 ( -0.075 7.864 -0.025) 7.864 4.131 ( -0.375 6.622 -0.612) 6.661 5.435 ( 0.258 2.121 1.190) 2.446 5.454 ( -0.032 0.990 0.466) 1.095 5.520 ( 1.044 -0.956 1.643) 2.168 5.527 ( 0.997 -1.218 1.405) 2.109 6.438 ( -1.132 1.469 1.688) 2.508 6.542 ( 0.737 -2.279 -2.944) 3.796 6.688 ( -4.206 -0.341 1.335) 4.426 6.763 ( -2.435 -2.670 -2.123) 4.191 7.031 ( 1.891 2.864 1.282) 3.664 7.098 ( 1.082 -0.362 1.659) 2.013 7.168 ( 0.344 -1.318 1.585) 2.090 7.210 ( 0.622 0.856 -3.079) 3.256 7.273 ( -0.153 -4.572 1.872) 4.943 7.315 ( 0.743 -2.350 -2.067) 3.217 7.370 ( -0.462 -1.508 -0.565) 1.675 7.430 ( -1.311 -1.936 -2.779) 3.632 7.698 ( -2.645 3.457 1.435) 4.583 7.736 ( -2.976 5.351 -0.347) 6.133 7.822 ( 1.708 -0.467 2.197) 2.822 7.913 ( 1.824 -0.542 -1.677) 2.536 8.268 ( -0.391 3.312 0.869) 3.446 8.296 ( -1.020 6.018 -0.361) 6.115 8.342 ( 0.267 1.219 0.628) 1.397 8.389 ( 0.517 1.471 -1.891) 2.452 8.452 ( 1.860 -0.154 1.293) 2.271 8.479 ( 1.042 -2.142 1.607) 2.873 8.521 ( 2.112 -3.788 -1.359) 4.545 8.548 ( 1.712 -4.732 -0.744) 5.086 8.776 ( -0.692 0.491 -1.153) 1.432 8.792 ( 0.914 -0.622 -1.327) 1.728 8.875 ( -2.951 -1.204 3.061) 4.419 8.980 ( -2.233 -5.293 -1.996) 6.082 9.849 ( 1.535 4.077 1.026) 4.475 9.883 ( 0.803 3.123 -0.472) 3.259 9.920 ( 0.063 3.898 0.719) 3.964 9.942 ( -0.639 3.404 -0.250) 3.472 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 0.443 5.402 -2.478) 5.960 1.460 ( -1.017 4.657 -2.891) 5.575 1.498 ( 0.032 3.826 -2.171) 4.399 1.514 ( -1.229 3.058 -2.697) 4.259 1.608 ( -0.025 2.212 0.710) 2.323 1.630 ( -1.870 3.020 0.134) 3.554 1.769 ( 1.105 -3.881 -1.293) 4.238 1.785 ( -0.304 -3.701 -1.362) 3.956 2.212 ( 2.352 7.558 0.659) 7.943 2.237 ( 1.062 8.510 0.229) 8.579 2.312 ( 0.662 4.609 -1.661) 4.943 2.344 ( -1.141 5.672 -2.581) 6.335 2.485 ( 2.486 0.218 2.804) 3.754 2.505 ( 1.243 0.958 2.268) 2.758 2.623 ( 0.952 -4.558 0.562) 4.690 2.650 ( -0.494 -4.059 -0.491) 4.119 2.894 ( -1.584 3.085 0.322) 3.483 2.899 ( -2.237 3.074 0.158) 3.805 3.125 ( -0.963 -7.201 0.761) 7.304 3.132 ( -1.841 -7.478 0.467) 7.715 4.084 ( 0.900 8.183 0.591) 8.254 4.099 ( -0.271 7.809 -0.048) 7.814 4.107 ( 0.606 7.133 0.279) 7.164 4.121 ( -0.532 7.099 -0.310) 7.126 5.443 ( 0.413 2.455 1.573) 2.945 5.451 ( -0.236 1.979 1.416) 2.445 5.543 ( 0.739 -1.769 0.903) 2.119 5.545 ( 0.497 -1.874 0.908) 2.141 6.439 ( 1.562 3.195 0.932) 3.676 6.506 ( -3.893 2.996 -2.115) 5.348 6.648 ( 1.302 -5.689 1.102) 5.940 6.702 ( -2.964 -5.115 -1.390) 6.073 7.077 ( 2.057 1.195 1.086) 2.615 7.109 ( -0.524 -0.004 1.345) 1.443 7.180 ( 1.056 -3.741 0.912) 3.993 7.206 ( -1.057 -3.886 -0.227) 4.034 7.293 ( 1.758 0.697 -0.322) 1.919 7.323 ( -0.426 0.523 -1.707) 1.835 7.362 ( 0.198 -1.825 -1.865) 2.617 7.390 ( -2.013 -1.292 -2.469) 3.438 7.661 ( -0.413 6.324 1.600) 6.537 7.680 ( -1.906 7.144 1.177) 7.487 7.869 ( 2.453 -2.225 0.338) 3.329 7.917 ( -1.426 -2.183 -1.462) 2.989 8.260 ( -0.048 4.475 0.774) 4.541 8.271 ( -1.012 5.664 0.232) 5.758 8.369 ( 1.773 1.027 0.112) 2.052 8.396 ( -0.354 1.167 -1.284) 1.770 8.489 ( 2.002 -0.579 1.152) 2.381 8.516 ( 0.839 -1.527 0.226) 1.757 8.559 ( 1.230 -4.021 -0.330) 4.218 8.575 ( 0.293 -4.546 -0.208) 4.561 8.756 ( 0.151 1.349 0.544) 1.462 8.795 ( -2.799 -0.240 1.468) 3.169 8.845 ( 2.414 -3.337 -1.293) 4.317 8.914 ( -3.493 -5.244 -2.262) 6.695 9.887 ( 1.755 4.142 0.601) 4.538 9.903 ( 0.921 3.621 -0.073) 3.737 9.917 ( -0.534 4.002 0.344) 4.052 9.922 ( -1.081 3.865 0.161) 4.016 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.000 -0.827 -3.114) 3.221 1.532 ( 0.000 0.827 -3.114) 3.221 1.569 ( 0.000 -0.683 -2.984) 3.062 1.569 ( 0.000 0.683 -2.984) 3.062 1.661 ( 0.000 -0.356 -0.097) 0.369 1.661 ( 0.000 0.357 -0.097) 0.369 1.745 ( 0.000 -0.547 0.345) 0.647 1.745 ( 0.000 0.547 0.345) 0.647 2.230 ( 0.000 -0.892 -2.308) 2.474 2.230 ( 0.000 0.892 -2.308) 2.474 2.359 ( 0.000 -1.191 2.637) 2.894 2.359 ( 0.000 1.191 2.637) 2.894 2.424 ( 0.000 -2.059 -2.510) 3.247 2.424 ( 0.000 2.059 -2.510) 3.247 2.560 ( 0.000 -1.150 1.829) 2.161 2.560 ( 0.000 1.150 1.829) 2.161 3.045 ( 0.000 -2.450 0.154) 2.455 3.045 ( 0.000 2.450 0.154) 2.455 3.111 ( 0.000 -3.217 1.361) 3.494 3.111 ( 0.000 3.217 1.361) 3.494 4.147 ( 0.000 -0.424 0.951) 1.042 4.147 ( 0.000 0.424 0.951) 1.042 4.194 ( 0.000 -0.566 -0.451) 0.724 4.194 ( 0.000 0.566 -0.451) 0.724 5.453 ( 0.000 -0.416 0.052) 0.419 5.453 ( 0.000 0.416 0.052) 0.419 5.507 ( 0.000 -0.020 2.309) 2.309 5.507 ( 0.000 0.020 2.309) 2.309 6.480 ( 0.000 -1.802 0.155) 1.808 6.480 ( 0.000 1.802 0.155) 1.808 6.768 ( 0.000 -1.275 -1.677) 2.107 6.768 ( 0.000 1.275 -1.677) 2.107 7.079 ( 0.000 -1.908 1.206) 2.257 7.079 ( 0.000 1.908 1.206) 2.257 7.163 ( 0.000 -2.515 4.211) 4.905 7.163 ( 0.000 2.515 4.211) 4.905 7.247 ( 0.000 -2.184 -4.420) 4.930 7.247 ( 0.000 2.184 -4.420) 4.930 7.398 ( 0.000 -2.319 -1.501) 2.763 7.398 ( 0.000 2.319 -1.501) 2.763 7.757 ( 0.000 -0.291 0.773) 0.826 7.757 ( 0.000 0.291 0.773) 0.826 7.871 ( 0.000 -1.210 0.145) 1.219 7.871 ( 0.000 1.210 0.145) 1.219 8.329 ( 0.000 -2.087 1.031) 2.328 8.329 ( 0.000 2.087 1.031) 2.328 8.391 ( 0.000 -1.661 -1.144) 2.017 8.391 ( 0.000 1.661 -1.144) 2.017 8.444 ( 0.000 -0.614 0.022) 0.615 8.444 ( 0.000 0.614 0.022) 0.615 8.454 ( 0.000 -2.759 -0.210) 2.767 8.454 ( 0.000 2.759 -0.210) 2.767 8.785 ( 0.000 -0.952 -0.490) 1.071 8.785 ( 0.000 0.952 -0.490) 1.071 8.923 ( 0.000 -2.838 -0.095) 2.840 8.923 ( 0.000 2.838 -0.095) 2.840 9.888 ( 0.000 -1.397 0.591) 1.517 9.888 ( 0.000 1.397 0.591) 1.517 9.968 ( 0.000 -1.009 -0.090) 1.013 9.968 ( 0.000 1.009 -0.090) 1.013 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -0.694 -1.463 -2.848) 3.276 1.523 ( -0.694 1.463 -2.848) 3.276 1.554 ( -1.281 -1.236 -2.569) 3.126 1.554 ( -1.281 1.236 -2.569) 3.126 1.664 ( 0.392 -2.686 -0.309) 2.732 1.664 ( 0.392 2.686 -0.309) 2.732 1.733 ( -1.050 -1.917 0.001) 2.186 1.733 ( -1.050 1.917 0.001) 2.186 2.267 ( 3.014 -1.610 -2.163) 4.044 2.267 ( 3.014 1.610 -2.163) 4.044 2.365 ( 0.455 -1.053 0.639) 1.313 2.365 ( 0.455 1.053 0.639) 1.313 2.452 ( 2.378 -2.356 -0.284) 3.359 2.452 ( 2.378 2.356 -0.284) 3.359 2.559 ( -0.051 -1.990 1.670) 2.598 2.559 ( -0.051 1.990 1.670) 2.598 3.024 ( -1.738 -2.595 0.131) 3.125 3.024 ( -1.738 2.595 0.131) 3.125 3.072 ( -3.225 -2.945 1.270) 4.549 3.072 ( -3.225 2.945 1.270) 4.549 4.155 ( 0.647 -0.480 0.801) 1.136 4.155 ( 0.647 0.480 0.801) 1.136 4.192 ( -0.185 -0.581 -0.414) 0.737 4.192 ( -0.185 0.581 -0.414) 0.737 5.464 ( 0.978 -0.494 0.241) 1.122 5.464 ( 0.978 0.494 0.241) 1.122 5.508 ( 0.058 -0.262 2.139) 2.155 5.508 ( 0.058 0.262 2.139) 2.155 6.486 ( 0.724 -3.061 0.358) 3.165 6.486 ( 0.724 3.061 0.358) 3.165 6.713 ( -4.441 -2.344 -1.665) 5.291 6.713 ( -4.441 2.344 -1.665) 5.291 7.091 ( 0.937 -2.183 0.832) 2.517 7.091 ( 0.937 2.183 0.832) 2.517 7.158 ( -0.630 -2.544 2.358) 3.525 7.158 ( -0.630 2.544 2.358) 3.525 7.270 ( 1.938 -2.163 -2.229) 3.661 7.270 ( 1.938 2.163 -2.229) 3.661 7.384 ( -1.025 -2.206 -1.587) 2.905 7.384 ( -1.025 2.206 -1.587) 2.905 7.761 ( 0.446 -2.595 0.955) 2.801 7.761 ( 0.446 2.595 0.955) 2.801 7.860 ( -1.097 -4.134 -0.227) 4.283 7.860 ( -1.097 4.134 -0.227) 4.283 8.331 ( 0.338 -2.275 1.126) 2.561 8.331 ( 0.338 2.275 1.126) 2.561 8.391 ( -0.294 -2.917 -1.029) 3.107 8.391 ( -0.294 2.917 -1.029) 3.107 8.462 ( 1.525 -1.540 0.109) 2.170 8.462 ( 1.525 1.540 0.109) 2.170 8.474 ( 1.684 -2.257 -0.211) 2.824 8.474 ( 1.684 2.257 -0.211) 2.824 8.783 ( -0.108 -0.366 -0.795) 0.881 8.783 ( -0.108 0.366 -0.795) 0.881 8.893 ( -2.554 -3.123 0.025) 4.035 8.893 ( -2.554 3.123 0.025) 4.035 9.903 ( 1.270 -1.099 0.496) 1.751 9.903 ( 1.270 1.099 0.496) 1.751 9.968 ( -0.124 -0.728 -0.003) 0.738 9.968 ( -0.124 0.728 -0.003) 0.738 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -0.105 -1.577 -2.456) 2.921 1.512 ( -0.105 1.577 -2.456) 2.921 1.523 ( -1.173 -1.490 -2.274) 2.961 1.523 ( -1.173 1.490 -2.274) 2.961 1.680 ( 0.984 -4.130 -0.560) 4.282 1.680 ( 0.984 4.130 -0.560) 4.282 1.705 ( -1.316 -3.656 -0.498) 3.918 1.705 ( -1.316 3.656 -0.498) 3.918 2.335 ( 2.564 -2.906 -1.349) 4.104 2.335 ( 2.564 2.906 -1.349) 4.104 2.368 ( -0.501 -1.983 -0.655) 2.148 2.368 ( -0.501 1.983 -0.655) 2.148 2.515 ( 2.881 -2.794 1.188) 4.185 2.515 ( 2.881 2.794 1.188) 4.185 2.555 ( -0.663 -3.611 1.174) 3.854 2.555 ( -0.663 3.611 1.174) 3.854 2.985 ( -1.194 -2.329 0.345) 2.640 2.985 ( -1.194 2.329 0.345) 2.640 2.999 ( -2.585 -2.277 0.902) 3.561 2.999 ( -2.585 2.277 0.902) 3.561 4.171 ( 0.742 -0.576 0.364) 1.007 4.171 ( 0.742 0.576 0.364) 1.007 4.185 ( -0.463 -0.628 -0.138) 0.792 4.185 ( -0.463 0.628 -0.138) 0.792 5.489 ( 1.083 -0.442 0.820) 1.428 5.489 ( 1.083 0.442 0.820) 1.428 5.506 ( -0.412 -0.366 1.567) 1.661 5.506 ( -0.412 0.366 1.567) 1.661 6.521 ( 2.705 -4.374 0.044) 5.143 6.521 ( 2.705 4.374 0.044) 5.143 6.605 ( -4.799 -4.023 -1.006) 6.343 6.605 ( -4.799 4.023 -1.006) 6.343 7.112 ( 1.009 -2.143 0.986) 2.566 7.112 ( 1.009 2.143 0.986) 2.566 7.137 ( -1.170 -2.226 1.427) 2.891 7.137 ( -1.170 2.226 1.427) 2.891 7.318 ( 2.154 -1.459 -1.549) 3.028 7.318 ( 2.154 1.459 -1.549) 3.028 7.358 ( -1.461 -1.566 -1.811) 2.805 7.358 ( -1.461 1.566 -1.811) 2.805 7.782 ( 1.533 -5.181 0.677) 5.445 7.782 ( 1.533 5.181 0.677) 5.445 7.824 ( -2.039 -6.054 -0.132) 6.390 7.824 ( -2.039 6.054 -0.132) 6.390 8.349 ( 1.181 -3.406 0.835) 3.700 8.349 ( 1.181 3.406 0.835) 3.700 8.375 ( -1.072 -3.910 -0.165) 4.058 8.375 ( -1.072 3.910 -0.165) 4.058 8.499 ( 1.511 -2.041 0.060) 2.540 8.499 ( 1.511 2.041 0.060) 2.540 8.509 ( 0.872 -0.935 -0.264) 1.305 8.509 ( 0.872 0.935 -0.264) 1.305 8.787 ( 0.803 -1.825 -0.888) 2.182 8.787 ( 0.803 1.825 -0.888) 2.182 8.828 ( -2.835 -3.047 -0.169) 4.165 8.828 ( -2.835 3.047 -0.169) 4.165 9.935 ( 1.424 -0.492 0.326) 1.541 9.935 ( 1.424 0.492 0.326) 1.541 9.959 ( -0.728 -0.155 0.165) 0.762 9.959 ( -0.728 0.155 0.165) 0.762 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( 0.000 0.000 -12.802) 12.802 0.562 ( 0.000 0.000 12.802) 12.802 0.570 ( 0.000 0.000 -12.771) 12.771 0.570 ( 0.000 0.000 12.771) 12.771 1.035 ( 0.000 0.000 -23.201) 23.201 1.035 ( 0.000 0.000 23.201) 23.201 1.407 ( 0.000 0.000 -3.565) 3.565 1.407 ( 0.000 0.000 3.565) 3.565 1.504 ( 0.000 0.000 -1.281) 1.281 1.504 ( 0.000 0.000 1.281) 1.281 1.707 ( 0.000 0.000 -3.698) 3.698 1.707 ( 0.000 0.000 3.698) 3.698 1.799 ( 0.000 0.000 -3.624) 3.624 1.799 ( 0.000 0.000 3.624) 3.624 1.867 ( 0.000 0.000 -0.805) 0.805 1.867 ( 0.000 0.000 0.805) 0.805 1.991 ( 0.000 0.000 -0.006) 0.006 1.991 ( 0.000 0.000 0.006) 0.006 2.404 ( 0.000 0.000 -6.055) 6.055 2.404 ( 0.000 0.000 6.055) 6.055 3.293 ( 0.000 0.000 -3.268) 3.268 3.293 ( 0.000 0.000 3.268) 3.268 3.865 ( 0.000 0.000 -2.345) 2.345 3.865 ( 0.000 0.000 2.345) 2.345 4.998 ( 0.000 0.000 -2.886) 2.886 4.998 ( 0.000 0.000 2.886) 2.886 5.632 ( 0.000 0.000 -11.950) 11.950 5.632 ( 0.000 0.000 11.950) 11.950 5.769 ( 0.000 0.000 -1.385) 1.385 5.769 ( 0.000 0.000 1.385) 1.385 6.007 ( 0.000 0.000 -4.993) 4.993 6.007 ( 0.000 0.000 4.993) 4.993 6.535 ( 0.000 0.000 -1.161) 1.161 6.535 ( 0.000 0.000 1.161) 1.161 6.605 ( 0.000 0.000 -0.133) 0.133 6.605 ( 0.000 0.000 0.133) 0.133 6.971 ( 0.000 0.000 -6.150) 6.150 6.971 ( 0.000 0.000 6.150) 6.150 7.378 ( 0.000 0.000 -0.864) 0.864 7.378 ( 0.000 0.000 0.864) 0.864 7.594 ( 0.000 0.000 -0.250) 0.250 7.594 ( 0.000 0.000 0.250) 0.250 7.648 ( 0.000 0.000 -0.756) 0.756 7.648 ( 0.000 0.000 0.756) 0.756 7.743 ( 0.000 0.000 -3.635) 3.635 7.743 ( 0.000 0.000 3.635) 3.635 8.193 ( 0.000 0.000 -5.520) 5.520 8.193 ( 0.000 0.000 5.520) 5.520 8.532 ( 0.000 0.000 -4.590) 4.590 8.532 ( 0.000 0.000 4.590) 4.590 8.929 ( 0.000 0.000 -4.882) 4.882 8.929 ( 0.000 0.000 4.882) 4.882 9.217 ( 0.000 0.000 -6.661) 6.661 9.217 ( 0.000 0.000 6.661) 6.661 9.416 ( 0.000 0.000 -2.016) 2.016 9.416 ( 0.000 0.000 2.016) 2.016 9.795 ( 0.000 0.000 -0.514) 0.514 9.795 ( 0.000 0.000 0.514) 0.514 9.897 ( 0.000 0.000 -0.163) 0.163 9.897 ( 0.000 0.000 0.163) 0.163 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 2.272 0.000 -10.781) 11.018 0.554 ( 2.272 0.000 10.781) 11.018 0.724 ( 11.755 0.000 -8.468) 14.487 0.724 ( 11.755 0.000 8.468) 14.487 1.101 ( 2.564 0.000 -14.923) 15.142 1.101 ( 2.564 0.000 14.923) 15.142 1.396 ( -0.264 0.000 -3.403) 3.413 1.396 ( -0.264 0.000 3.403) 3.413 1.463 ( -3.787 0.000 -0.891) 3.890 1.463 ( -3.787 0.000 0.891) 3.890 1.716 ( 1.347 0.000 -2.267) 2.637 1.716 ( 1.347 0.000 2.267) 2.637 1.773 ( -0.059 0.000 -4.983) 4.983 1.773 ( -0.059 0.000 4.983) 4.983 1.859 ( -0.626 0.000 -0.668) 0.916 1.859 ( -0.626 0.000 0.668) 0.916 1.994 ( 0.233 0.000 -0.017) 0.234 1.994 ( 0.233 0.000 0.017) 0.234 2.402 ( -1.800 0.000 -6.926) 7.156 2.402 ( -1.800 0.000 6.926) 7.156 3.266 ( -1.428 0.000 -3.419) 3.705 3.266 ( -1.428 0.000 3.419) 3.705 3.856 ( -0.835 0.000 -2.238) 2.389 3.856 ( -0.835 0.000 2.238) 2.389 5.039 ( 3.397 0.000 -2.425) 4.174 5.039 ( 3.397 0.000 2.425) 4.174 5.627 ( 0.391 0.000 -5.985) 5.998 5.627 ( 0.391 0.000 5.985) 5.998 5.727 ( -3.525 0.000 -1.178) 3.717 5.727 ( -3.525 0.000 1.178) 3.717 5.923 ( -6.128 0.000 -4.220) 7.441 5.923 ( -6.128 0.000 4.220) 7.441 6.538 ( 0.188 0.000 -1.198) 1.212 6.538 ( 0.188 0.000 1.198) 1.212 6.605 ( -0.020 0.000 -0.390) 0.391 6.605 ( -0.020 0.000 0.390) 0.391 7.112 ( 7.306 0.000 -9.004) 11.595 7.112 ( 7.306 0.000 9.004) 11.595 7.407 ( 2.467 0.000 -0.606) 2.541 7.407 ( 2.467 0.000 0.606) 2.541 7.618 ( -1.608 0.000 -2.626) 3.079 7.618 ( -1.608 0.000 2.626) 3.079 7.630 ( -1.618 0.000 -0.676) 1.754 7.630 ( -1.618 0.000 0.676) 1.754 7.813 ( 8.829 0.000 -1.939) 9.040 7.813 ( 8.829 0.000 1.939) 9.040 8.225 ( 1.727 0.000 -3.732) 4.112 8.225 ( 1.727 0.000 3.732) 4.112 8.544 ( 1.951 0.000 -4.527) 4.929 8.544 ( 1.951 0.000 4.527) 4.929 8.910 ( -2.044 0.000 -3.741) 4.263 8.910 ( -2.044 0.000 3.741) 4.263 9.194 ( -1.480 0.000 -6.126) 6.302 9.194 ( -1.480 0.000 6.126) 6.302 9.373 ( -3.366 0.000 -1.161) 3.560 9.373 ( -3.366 0.000 1.161) 3.560 9.799 ( 0.262 0.000 -1.159) 1.188 9.799 ( 0.262 0.000 1.159) 1.188 9.905 ( 0.515 0.000 -1.102) 1.216 9.905 ( 0.515 0.000 1.102) 1.216 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 9.157 0.000 -5.628) 10.748 0.700 ( 9.157 0.000 5.628) 10.748 0.978 ( 9.105 0.000 -3.007) 9.588 0.978 ( 9.105 0.000 3.007) 9.588 1.014 ( -8.534 0.000 -3.611) 9.267 1.014 ( -8.534 0.000 3.611) 9.267 1.352 ( -5.262 0.000 -0.183) 5.265 1.352 ( -5.262 0.000 0.183) 5.265 1.460 ( 4.280 0.000 -2.859) 5.147 1.460 ( 4.280 0.000 2.859) 5.147 1.668 ( -2.951 0.000 -1.444) 3.285 1.668 ( -2.951 0.000 1.444) 3.285 1.847 ( -0.343 0.000 -0.262) 0.432 1.847 ( -0.343 0.000 0.262) 0.432 1.916 ( 8.362 0.000 -3.007) 8.886 1.916 ( 8.362 0.000 3.007) 8.886 1.998 ( 0.119 0.000 -0.008) 0.119 1.998 ( 0.119 0.000 0.008) 0.119 2.302 ( -5.977 0.000 -3.220) 6.789 2.302 ( -5.977 0.000 3.220) 6.789 3.250 ( -0.173 0.000 -2.042) 2.049 3.250 ( -0.173 0.000 2.042) 2.049 3.837 ( -0.599 0.000 -1.169) 1.313 3.837 ( -0.599 0.000 1.169) 1.313 5.117 ( 2.703 0.000 -1.038) 2.895 5.117 ( 2.703 0.000 1.038) 2.895 5.647 ( -2.751 0.000 -0.542) 2.804 5.647 ( -2.751 0.000 0.542) 2.804 5.670 ( 3.596 0.000 -1.556) 3.918 5.670 ( 3.596 0.000 1.556) 3.918 5.781 ( -6.227 0.000 -1.652) 6.442 5.781 ( -6.227 0.000 1.652) 6.442 6.541 ( 0.063 0.000 -0.604) 0.607 6.541 ( 0.063 0.000 0.604) 0.607 6.605 ( 0.026 0.000 -0.304) 0.306 6.605 ( 0.026 0.000 0.304) 0.306 7.222 ( 3.054 0.000 -5.217) 6.045 7.222 ( 3.054 0.000 5.217) 6.045 7.469 ( 2.630 0.000 -0.113) 2.632 7.469 ( 2.630 0.000 0.113) 2.632 7.538 ( -3.540 0.000 -1.865) 4.001 7.538 ( -3.540 0.000 1.865) 4.001 7.584 ( -2.118 0.000 -0.364) 2.149 7.584 ( -2.118 0.000 0.364) 2.149 8.013 ( 6.365 0.000 -2.887) 6.990 8.013 ( 6.365 0.000 2.887) 6.990 8.226 ( -1.258 0.000 -2.208) 2.541 8.226 ( -1.258 0.000 2.208) 2.541 8.649 ( 7.208 0.000 -5.349) 8.976 8.649 ( 7.208 0.000 5.349) 8.976 8.819 ( -6.411 0.000 -2.520) 6.888 8.819 ( -6.411 0.000 2.520) 6.888 9.187 ( 1.007 0.000 -2.547) 2.739 9.187 ( 1.007 0.000 2.547) 2.739 9.294 ( -3.208 0.000 -1.280) 3.454 9.294 ( -3.208 0.000 1.280) 3.454 9.803 ( 0.104 0.000 -0.755) 0.762 9.803 ( 0.104 0.000 0.755) 0.762 9.913 ( 0.227 0.000 -0.791) 0.823 9.913 ( 0.227 0.000 0.791) 0.823 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 0.000 4.037 -3.310) 5.221 0.477 ( 0.000 4.037 3.310) 5.221 0.827 ( 0.000 12.748 -2.475) 12.986 0.827 ( 0.000 12.748 2.475) 12.986 1.145 ( 0.000 11.848 -15.386) 19.419 1.145 ( 0.000 11.848 15.386) 19.419 1.416 ( 0.000 2.334 -1.235) 2.641 1.416 ( 0.000 2.334 1.235) 2.641 1.561 ( 0.000 2.247 -0.226) 2.259 1.561 ( 0.000 2.247 0.226) 2.259 1.677 ( 0.000 1.317 -1.761) 2.199 1.677 ( 0.000 1.317 1.761) 2.199 1.827 ( 0.000 2.851 -4.323) 5.179 1.827 ( 0.000 2.851 4.323) 5.179 1.912 ( 0.000 5.240 -0.433) 5.258 1.912 ( 0.000 5.240 0.433) 5.258 2.103 ( 0.000 10.645 -0.395) 10.653 2.103 ( 0.000 10.645 0.395) 10.653 2.387 ( 0.000 3.637 -6.166) 7.159 2.387 ( 0.000 3.637 6.166) 7.159 3.282 ( 0.000 0.652 -2.260) 2.352 3.282 ( 0.000 0.652 2.260) 2.352 3.851 ( 0.000 -1.368 -2.434) 2.792 3.851 ( 0.000 -1.368 2.434) 2.792 5.347 ( 0.000 6.750 -4.166) 7.932 5.347 ( 0.000 6.750 4.166) 7.932 5.815 ( 0.000 12.852 -10.005) 16.288 5.815 ( 0.000 12.852 10.005) 16.288 5.968 ( 0.000 14.045 -2.031) 14.191 5.968 ( 0.000 14.045 2.031) 14.191 6.149 ( 0.000 27.786 -12.237) 30.361 6.149 ( 0.000 27.786 12.237) 30.361 6.641 ( 0.000 9.338 -0.196) 9.340 6.641 ( 0.000 9.338 0.196) 9.340 6.650 ( 0.000 5.230 -0.144) 5.232 6.650 ( 0.000 5.230 0.144) 5.232 6.988 ( 0.000 1.552 -6.629) 6.808 6.988 ( 0.000 1.552 6.629) 6.808 7.406 ( 0.000 3.017 -0.830) 3.129 7.406 ( 0.000 3.017 0.830) 3.129 7.580 ( 0.000 -2.812 -0.913) 2.957 7.580 ( 0.000 -2.812 0.913) 2.957 7.637 ( 0.000 1.096 -1.655) 1.985 7.637 ( 0.000 1.096 1.655) 1.985 7.750 ( 0.000 0.684 -3.671) 3.734 7.750 ( 0.000 0.684 3.671) 3.734 8.200 ( 0.000 0.090 -5.373) 5.374 8.200 ( 0.000 0.090 5.373) 5.374 8.531 ( 0.000 0.156 -4.754) 4.756 8.531 ( 0.000 0.156 4.754) 4.756 8.920 ( 0.000 -0.886 -4.717) 4.800 8.920 ( 0.000 -0.886 4.717) 4.800 9.179 ( 0.000 -3.841 -6.574) 7.614 9.179 ( 0.000 -3.841 6.574) 7.614 9.336 ( 0.000 -7.189 -0.229) 7.193 9.336 ( 0.000 -7.189 0.229) 7.193 9.773 ( 0.000 -2.101 -0.385) 2.136 9.773 ( 0.000 -2.101 0.385) 2.136 9.876 ( 0.000 -2.094 -0.187) 2.102 9.876 ( 0.000 -2.094 0.187) 2.102 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 2.889 1.327 -7.223) 7.892 0.476 ( 2.889 1.327 7.223) 7.892 0.907 ( 6.304 8.895 -6.810) 12.855 0.907 ( 6.304 8.895 6.810) 12.855 1.184 ( 0.139 9.689 -5.116) 10.957 1.184 ( 0.139 9.689 5.116) 10.957 1.414 ( -0.025 2.995 -2.191) 3.711 1.414 ( -0.025 2.995 2.191) 3.711 1.548 ( 0.041 6.140 -2.285) 6.552 1.548 ( 0.041 6.140 2.285) 6.552 1.697 ( 1.839 -0.186 -1.043) 2.122 1.697 ( 1.839 -0.186 1.043) 2.122 1.793 ( -2.565 3.217 -4.595) 6.168 1.793 ( -2.565 3.217 4.595) 6.168 1.906 ( -0.257 4.933 -0.188) 4.943 1.906 ( -0.257 4.933 0.188) 4.943 2.119 ( 1.125 11.307 -0.038) 11.363 2.119 ( 1.125 11.307 0.038) 11.363 2.426 ( 2.518 5.754 -5.386) 8.274 2.426 ( 2.518 5.754 5.386) 8.274 3.270 ( -0.980 0.981 -2.754) 3.083 3.270 ( -0.980 0.981 2.754) 3.083 3.840 ( -0.843 -1.420 -2.462) 2.964 3.840 ( -0.843 -1.420 2.462) 2.964 5.340 ( -0.114 9.322 -3.306) 9.891 5.340 ( -0.114 9.322 3.306) 9.891 5.729 ( -5.967 10.343 -6.564) 13.627 5.729 ( -5.967 10.343 6.564) 13.627 5.955 ( -4.366 16.307 -4.464) 17.462 5.955 ( -4.366 16.307 4.464) 17.462 6.005 ( -5.578 20.760 -2.768) 21.674 6.005 ( -5.578 20.760 2.768) 21.674 6.621 ( -0.893 7.230 -0.580) 7.308 6.621 ( -0.893 7.230 0.580) 7.308 6.664 ( 0.791 6.447 -0.158) 6.498 6.664 ( 0.791 6.447 0.158) 6.498 7.092 ( 5.273 -1.801 -7.544) 9.379 7.092 ( 5.273 -1.801 7.544) 9.379 7.427 ( 1.637 2.018 -0.710) 2.694 7.427 ( 1.637 2.018 0.710) 2.694 7.578 ( -0.703 -3.598 -1.171) 3.848 7.578 ( -0.703 -3.598 1.171) 3.848 7.638 ( -2.493 0.874 -2.459) 3.609 7.638 ( -2.493 0.874 2.459) 3.609 7.823 ( 8.036 0.955 -2.781) 8.557 7.823 ( 8.036 0.955 2.781) 8.557 8.226 ( 1.438 -0.281 -3.889) 4.156 8.226 ( 1.438 -0.281 3.889) 4.156 8.552 ( 2.538 0.899 -4.886) 5.579 8.552 ( 2.538 0.899 4.886) 5.579 8.899 ( -2.151 -1.118 -3.607) 4.346 8.899 ( -2.151 -1.118 3.607) 4.346 9.162 ( -1.058 -3.122 -5.841) 6.707 9.162 ( -1.058 -3.122 5.841) 6.707 9.309 ( -2.311 -6.124 -1.511) 6.718 9.309 ( -2.311 -6.124 1.511) 6.718 9.777 ( 0.266 -2.109 -1.111) 2.399 9.777 ( 0.266 -2.109 1.111) 2.399 9.880 ( 0.273 -2.430 -0.986) 2.636 9.880 ( 0.273 -2.430 0.986) 2.636 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 8.483 -2.465 -4.332) 9.839 0.632 ( 8.483 -2.465 4.332) 9.839 0.983 ( -3.052 0.709 -4.593) 5.560 0.983 ( -3.052 0.709 4.593) 5.560 1.165 ( 2.891 12.779 -2.695) 13.376 1.165 ( 2.891 12.779 2.695) 13.376 1.368 ( -3.945 1.187 -2.279) 4.708 1.368 ( -3.945 1.187 2.279) 4.708 1.610 ( 4.567 10.780 -1.752) 11.838 1.610 ( 4.567 10.780 1.752) 11.838 1.703 ( -2.804 4.383 -1.904) 5.541 1.703 ( -2.804 4.383 1.904) 5.541 1.757 ( 0.085 -2.451 -1.818) 3.053 1.757 ( 0.085 -2.451 1.818) 3.053 1.919 ( 1.246 1.356 -0.340) 1.872 1.919 ( 1.246 1.356 0.340) 1.872 2.140 ( 0.682 11.356 -0.206) 11.378 2.140 ( 0.682 11.356 0.206) 11.378 2.460 ( 0.484 14.027 -2.220) 14.210 2.460 ( 0.484 14.027 2.220) 14.210 3.249 ( -0.639 0.187 -1.660) 1.788 3.249 ( -0.639 0.187 1.660) 1.788 3.824 ( -0.482 -1.287 -1.260) 1.865 3.824 ( -0.482 -1.287 1.260) 1.865 5.361 ( 1.655 13.293 -1.854) 13.523 5.361 ( 1.655 13.293 1.854) 13.523 5.612 ( -3.889 0.437 -1.937) 4.367 5.612 ( -3.889 0.437 1.937) 4.367 5.828 ( -3.392 15.745 -0.845) 16.129 5.828 ( -3.392 15.745 0.845) 16.129 5.966 ( -0.794 19.910 -0.271) 19.928 5.966 ( -0.794 19.910 0.271) 19.928 6.609 ( -0.266 6.447 -0.240) 6.457 6.609 ( -0.266 6.447 0.240) 6.457 6.677 ( 0.336 7.062 -0.103) 7.071 6.677 ( 0.336 7.062 0.103) 7.071 7.173 ( 2.201 -4.256 -4.077) 6.291 7.173 ( 2.201 -4.256 4.077) 6.291 7.467 ( 1.558 0.035 -0.523) 1.644 7.467 ( 1.558 0.035 0.523) 1.644 7.551 ( -1.618 0.024 -0.516) 1.698 7.551 ( -1.618 0.024 0.516) 1.698 7.563 ( -2.514 -0.991 -1.205) 2.958 7.563 ( -2.514 -0.991 1.205) 2.958 7.984 ( 4.547 -2.974 -2.369) 5.927 7.984 ( 4.547 -2.974 2.369) 5.927 8.236 ( -0.286 0.905 -1.752) 1.993 8.236 ( -0.286 0.905 1.752) 1.993 8.659 ( 6.830 0.878 -5.015) 8.519 8.659 ( 6.830 0.878 5.015) 8.519 8.812 ( -5.908 -0.668 -2.281) 6.369 8.812 ( -5.908 -0.668 2.281) 6.369 9.155 ( 0.490 -3.166 -2.438) 4.026 9.155 ( 0.490 -3.166 2.438) 4.026 9.251 ( -2.283 -4.275 -1.240) 5.003 9.251 ( -2.283 -4.275 1.240) 5.003 9.782 ( 0.128 -2.058 -0.741) 2.191 9.782 ( 0.128 -2.058 0.741) 2.191 9.884 ( 0.119 -2.846 -0.722) 2.938 9.884 ( 0.119 -2.846 0.722) 2.938 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 0.000 15.717 -0.955) 15.746 0.706 ( 0.000 15.717 0.955) 15.746 1.000 ( 0.000 6.572 -2.950) 7.204 1.000 ( 0.000 6.572 2.950) 7.204 1.326 ( 0.000 4.181 -1.556) 4.461 1.326 ( 0.000 4.181 1.556) 4.461 1.574 ( 0.000 8.528 -2.753) 8.962 1.574 ( 0.000 8.528 2.753) 8.962 1.613 ( 0.000 7.031 -0.259) 7.036 1.613 ( 0.000 7.031 0.259) 7.036 1.814 ( 0.000 6.018 -2.151) 6.391 1.814 ( 0.000 6.018 2.151) 6.391 1.864 ( 0.000 9.711 -3.732) 10.403 1.864 ( 0.000 9.711 3.732) 10.403 2.122 ( 0.000 14.325 -2.424) 14.529 2.122 ( 0.000 14.325 2.424) 14.529 2.356 ( 0.000 13.981 -1.123) 14.026 2.356 ( 0.000 13.981 1.123) 14.026 2.565 ( 0.000 13.238 -4.342) 13.932 2.565 ( 0.000 13.238 4.342) 13.932 3.333 ( 0.000 4.671 -2.724) 5.407 3.333 ( 0.000 4.671 2.724) 5.407 3.809 ( 0.000 -3.042 -2.619) 4.014 3.809 ( 0.000 -3.042 2.619) 4.014 5.358 ( 0.000 -1.154 -4.501) 4.646 5.358 ( 0.000 -1.154 4.501) 4.646 5.815 ( 0.000 -4.693 -1.554) 4.943 5.815 ( 0.000 -4.693 1.554) 4.943 6.361 ( 0.000 19.193 -1.323) 19.239 6.361 ( 0.000 19.193 1.323) 19.239 6.640 ( 0.000 12.611 -9.099) 15.550 6.640 ( 0.000 12.611 9.099) 15.550 6.822 ( 0.000 14.959 -3.029) 15.262 6.822 ( 0.000 14.959 3.029) 15.262 6.883 ( 0.000 14.452 -1.168) 14.499 6.883 ( 0.000 14.452 1.168) 14.499 7.012 ( 0.000 0.412 -6.117) 6.131 7.012 ( 0.000 0.412 6.117) 6.131 7.467 ( 0.000 0.453 -2.330) 2.373 7.467 ( 0.000 0.453 2.330) 2.373 7.504 ( 0.000 -2.484 -0.744) 2.593 7.504 ( 0.000 -2.484 0.744) 2.593 7.724 ( 0.000 5.444 -2.626) 6.045 7.724 ( 0.000 5.444 2.626) 6.045 7.780 ( 0.000 4.669 -1.990) 5.075 7.780 ( 0.000 4.669 1.990) 5.075 8.177 ( 0.000 -2.177 -5.070) 5.518 8.177 ( 0.000 -2.177 5.070) 5.518 8.545 ( 0.000 1.062 -5.045) 5.156 8.545 ( 0.000 1.062 5.045) 5.156 8.894 ( 0.000 -1.996 -4.574) 4.991 8.894 ( 0.000 -1.996 4.574) 4.991 9.073 ( 0.000 -6.771 -6.418) 9.329 9.073 ( 0.000 -6.771 6.418) 9.329 9.186 ( 0.000 -6.999 -1.453) 7.148 9.186 ( 0.000 -6.999 1.453) 7.148 9.724 ( 0.000 -2.570 -0.078) 2.571 9.724 ( 0.000 -2.570 0.078) 2.571 9.822 ( 0.000 -3.179 -0.200) 3.186 9.822 ( 0.000 -3.179 0.200) 3.186 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -1.631 14.937 -3.636) 15.460 0.664 ( -1.631 14.937 3.636) 15.460 1.019 ( 1.471 4.456 -6.875) 8.324 1.019 ( 1.471 4.456 6.875) 8.324 1.336 ( 0.332 4.170 -4.136) 5.883 1.336 ( 0.332 4.170 4.136) 5.883 1.542 ( -3.058 7.636 -1.201) 8.313 1.542 ( -3.058 7.636 1.201) 8.313 1.662 ( 3.007 5.827 -2.484) 7.012 1.662 ( 3.007 5.827 2.484) 7.012 1.808 ( 0.217 4.139 -1.362) 4.363 1.808 ( 0.217 4.139 1.362) 4.363 1.859 ( -0.188 13.077 -2.626) 13.339 1.859 ( -0.188 13.077 2.626) 13.339 2.106 ( -1.342 13.748 -0.656) 13.829 2.106 ( -1.342 13.748 0.656) 13.829 2.376 ( 1.294 13.855 -0.566) 13.926 2.376 ( 1.294 13.855 0.566) 13.926 2.637 ( 6.109 14.598 -4.145) 16.359 2.637 ( 6.109 14.598 4.145) 16.359 3.319 ( -1.404 4.397 -2.501) 5.250 3.319 ( -1.404 4.397 2.501) 5.250 3.799 ( -0.725 -2.886 -2.677) 4.003 3.799 ( -0.725 -2.886 2.677) 4.003 5.374 ( 1.663 -0.751 -4.297) 4.668 5.374 ( 1.663 -0.751 4.297) 4.668 5.744 ( -5.846 -3.493 -0.599) 6.836 5.744 ( -5.846 -3.493 0.599) 6.836 6.359 ( -0.380 19.067 -0.708) 19.084 6.359 ( -0.380 19.067 0.708) 19.084 6.539 ( -8.292 22.272 -6.522) 24.644 6.539 ( -8.292 22.272 6.522) 24.644 6.777 ( -1.455 9.525 -1.348) 9.729 6.777 ( -1.455 9.525 1.348) 9.729 6.872 ( -0.341 14.723 -1.458) 14.799 6.872 ( -0.341 14.723 1.458) 14.799 7.059 ( 2.615 -0.669 -3.996) 4.822 7.059 ( 2.615 -0.669 3.996) 4.822 7.467 ( -0.224 -0.126 -1.830) 1.848 7.467 ( -0.224 -0.126 1.830) 1.848 7.506 ( 0.506 -1.820 -0.848) 2.071 7.506 ( 0.506 -1.820 0.848) 2.071 7.666 ( -3.926 2.027 -2.224) 4.947 7.666 ( -3.926 2.027 2.224) 4.947 7.852 ( 4.122 2.432 -5.069) 6.971 7.852 ( 4.122 2.432 5.069) 6.971 8.210 ( 2.435 -0.953 -3.627) 4.471 8.210 ( 2.435 -0.953 3.627) 4.471 8.576 ( 3.029 1.357 -4.828) 5.859 8.576 ( 3.029 1.357 4.828) 5.859 8.869 ( -2.219 -1.992 -3.310) 4.455 8.869 ( -2.219 -1.992 3.310) 4.455 9.074 ( -0.039 -6.004 -5.118) 7.889 9.074 ( -0.039 -6.004 5.118) 7.889 9.168 ( -1.463 -7.102 -1.460) 7.397 9.168 ( -1.463 -7.102 1.460) 7.397 9.727 ( 0.275 -2.600 -0.913) 2.770 9.727 ( 0.275 -2.600 0.913) 2.770 9.819 ( -0.261 -3.527 -0.694) 3.605 9.819 ( -0.261 -3.527 0.694) 3.605 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 3.419 8.935 -2.826) 9.976 0.698 ( 3.419 8.935 2.826) 9.976 1.030 ( -0.756 3.558 -3.374) 4.962 1.030 ( -0.756 3.558 3.374) 4.962 1.349 ( 1.383 4.349 -2.466) 5.188 1.349 ( 1.383 4.349 2.466) 5.188 1.444 ( -4.621 7.355 -1.291) 8.782 1.444 ( -4.621 7.355 1.291) 8.782 1.707 ( 0.918 3.360 -1.578) 3.824 1.707 ( 0.918 3.360 1.578) 3.824 1.832 ( 1.368 3.950 -1.221) 4.355 1.832 ( 1.368 3.950 1.221) 4.355 1.862 ( 0.211 13.891 -0.450) 13.900 1.862 ( 0.211 13.891 0.450) 13.900 2.075 ( -1.036 13.756 -1.142) 13.842 2.075 ( -1.036 13.756 1.142) 13.842 2.397 ( 0.525 14.095 -0.074) 14.105 2.397 ( 0.525 14.095 0.074) 14.105 2.776 ( 4.711 17.318 -1.921) 18.050 2.776 ( 4.711 17.318 1.921) 18.050 3.276 ( -1.833 3.209 -1.110) 3.859 3.276 ( -1.833 3.209 1.110) 3.859 3.786 ( -0.353 -2.655 -1.373) 3.010 3.786 ( -0.353 -2.655 1.373) 3.010 5.438 ( 3.981 -0.440 -3.037) 5.026 5.438 ( 3.981 -0.440 3.037) 5.026 5.599 ( -6.314 -1.668 -1.125) 6.627 5.599 ( -6.314 -1.668 1.125) 6.627 6.337 ( -1.606 25.462 -1.547) 25.560 6.337 ( -1.606 25.462 1.547) 25.560 6.396 ( -2.954 20.874 -0.075) 21.082 6.396 ( -2.954 20.874 0.075) 21.082 6.768 ( 0.062 9.524 -0.943) 9.570 6.768 ( 0.062 9.524 0.943) 9.570 6.865 ( -0.240 12.318 -0.826) 12.348 6.865 ( -0.240 12.318 0.826) 12.348 7.106 ( 1.337 -0.792 -1.974) 2.513 7.106 ( 1.337 -0.792 1.974) 2.513 7.468 ( 0.618 -0.959 -1.216) 1.668 7.468 ( 0.618 -0.959 1.216) 1.668 7.505 ( -1.179 -2.285 -0.732) 2.674 7.505 ( -1.179 -2.285 0.732) 2.674 7.596 ( -1.587 2.977 -1.060) 3.536 7.596 ( -1.587 2.977 1.060) 3.536 7.913 ( 1.328 -3.190 -1.819) 3.905 7.913 ( 1.328 -3.190 1.819) 3.905 8.255 ( 1.178 0.831 -0.863) 1.680 8.255 ( 1.178 0.831 0.863) 1.680 8.676 ( 5.647 0.675 -3.622) 6.742 8.676 ( 5.647 0.675 3.622) 6.742 8.795 ( -4.601 -0.968 -1.687) 4.995 8.795 ( -4.601 -0.968 1.687) 4.995 9.071 ( -0.129 -5.226 -2.017) 5.603 9.071 ( -0.129 -5.226 2.017) 5.603 9.135 ( -1.085 -7.095 -0.809) 7.223 9.135 ( -1.085 -7.095 0.809) 7.223 9.734 ( 0.214 -2.525 -0.660) 2.618 9.734 ( 0.214 -2.525 0.660) 2.618 9.813 ( -0.228 -4.179 -0.552) 4.221 9.813 ( -0.228 -4.179 0.552) 4.221 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 10.438 -3.699) 11.074 0.977 ( 0.000 10.438 3.699) 11.074 1.145 ( 0.000 9.299 -1.301) 9.390 1.145 ( 0.000 9.299 1.301) 9.390 1.396 ( 0.000 4.247 -1.088) 4.384 1.396 ( 0.000 4.247 1.088) 4.384 1.680 ( 0.000 3.216 -1.861) 3.716 1.680 ( 0.000 3.216 1.861) 3.716 1.755 ( 0.000 6.525 -1.127) 6.622 1.755 ( 0.000 6.525 1.127) 6.622 1.868 ( 0.000 5.517 -0.493) 5.540 1.868 ( 0.000 5.517 0.493) 5.540 2.231 ( 0.000 18.730 -3.480) 19.050 2.231 ( 0.000 18.730 3.480) 19.050 2.401 ( 0.000 13.011 -2.822) 13.313 2.401 ( 0.000 13.011 2.822) 13.313 2.593 ( 0.000 9.628 -1.714) 9.780 2.593 ( 0.000 9.628 1.714) 9.780 2.880 ( 0.000 18.916 -3.973) 19.329 2.880 ( 0.000 18.916 3.973) 19.329 3.471 ( 0.000 9.484 -3.174) 10.002 3.471 ( 0.000 9.484 3.174) 10.002 3.733 ( 0.000 -4.622 -2.689) 5.347 3.733 ( 0.000 -4.622 2.689) 5.347 5.349 ( 0.000 0.502 -3.932) 3.964 5.349 ( 0.000 0.502 3.932) 3.964 5.711 ( 0.000 -5.430 -1.769) 5.711 5.711 ( 0.000 -5.430 1.769) 5.711 6.566 ( 0.000 2.865 -0.230) 2.875 6.566 ( 0.000 2.865 0.230) 2.875 6.807 ( 0.000 5.443 -4.951) 7.358 6.807 ( 0.000 5.443 4.951) 7.358 6.984 ( 0.000 0.389 -3.500) 3.521 6.984 ( 0.000 0.389 3.500) 3.521 7.070 ( 0.000 8.159 -4.570) 9.352 7.070 ( 0.000 8.159 4.570) 9.352 7.251 ( 0.000 19.577 -3.739) 19.931 7.251 ( 0.000 19.577 3.739) 19.931 7.396 ( 0.000 -4.059 -1.002) 4.181 7.396 ( 0.000 -4.059 1.002) 4.181 7.521 ( 0.000 1.441 -0.654) 1.583 7.521 ( 0.000 1.441 0.654) 1.583 7.746 ( 0.000 -0.735 -2.693) 2.792 7.746 ( 0.000 -0.735 2.693) 2.792 7.958 ( 0.000 8.942 -7.181) 11.468 7.958 ( 0.000 8.942 7.181) 11.468 8.154 ( 0.000 1.227 -5.653) 5.785 8.154 ( 0.000 1.227 5.653) 5.785 8.561 ( 0.000 0.368 -3.661) 3.679 8.561 ( 0.000 0.368 3.661) 3.679 8.831 ( 0.000 -4.449 -4.962) 6.664 8.831 ( 0.000 -4.449 4.962) 6.664 8.924 ( 0.000 -8.213 -6.021) 10.183 8.924 ( 0.000 -8.213 6.021) 10.183 9.098 ( 0.000 -1.967 -1.182) 2.294 9.098 ( 0.000 -1.967 1.182) 2.294 9.691 ( 0.000 -0.412 -0.136) 0.434 9.691 ( 0.000 -0.412 0.136) 0.434 9.765 ( 0.000 -2.163 -0.089) 2.165 9.765 ( 0.000 -2.163 0.089) 2.165 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -2.140 12.555 -1.234) 12.795 0.950 ( -2.140 12.555 1.234) 12.795 1.122 ( -1.110 6.768 -4.214) 8.049 1.122 ( -1.110 6.768 4.214) 8.049 1.407 ( 0.812 4.251 -1.671) 4.639 1.407 ( 0.812 4.251 1.671) 4.639 1.664 ( -2.119 4.643 -0.814) 5.168 1.664 ( -2.119 4.643 0.814) 5.168 1.781 ( 1.707 6.195 -1.422) 6.582 1.781 ( 1.707 6.195 1.422) 6.582 1.870 ( 0.945 5.698 -1.099) 5.879 1.870 ( 0.945 5.698 1.099) 5.879 2.219 ( -1.086 18.217 -1.568) 18.316 2.219 ( -1.086 18.217 1.568) 18.316 2.367 ( -2.419 11.939 -0.534) 12.193 2.367 ( -2.419 11.939 0.534) 12.193 2.613 ( 1.600 9.687 -1.074) 9.876 2.613 ( 1.600 9.687 1.074) 9.876 2.963 ( 6.565 18.239 -3.231) 19.652 2.963 ( 6.565 18.239 3.231) 19.652 3.451 ( -1.851 9.218 -2.654) 9.769 3.451 ( -1.851 9.218 2.654) 9.769 3.728 ( -0.318 -4.143 -2.633) 4.919 3.728 ( -0.318 -4.143 2.633) 4.919 5.368 ( 1.762 0.428 -3.681) 4.104 5.368 ( 1.762 0.428 3.681) 4.104 5.667 ( -3.784 -3.962 -0.975) 5.565 5.667 ( -3.784 -3.962 0.975) 5.565 6.551 ( -0.949 2.045 -1.041) 2.483 6.551 ( -0.949 2.045 1.041) 2.483 6.813 ( -1.498 6.549 -2.629) 7.215 6.813 ( -1.498 6.549 2.629) 7.215 6.930 ( -1.543 5.074 -3.751) 6.496 6.930 ( -1.543 5.074 3.751) 6.496 7.091 ( 0.583 6.312 -4.144) 7.574 7.091 ( 0.583 6.312 4.144) 7.574 7.248 ( 0.104 18.994 -3.082) 19.243 7.248 ( 0.104 18.994 3.082) 19.243 7.401 ( 0.356 -3.869 -1.233) 4.076 7.401 ( 0.356 -3.869 1.233) 4.076 7.515 ( -0.717 0.358 -0.489) 0.939 7.515 ( -0.717 0.358 0.489) 0.939 7.690 ( -3.930 -0.358 -2.249) 4.542 7.690 ( -3.930 -0.358 2.249) 4.542 7.952 ( -0.202 7.986 -5.599) 9.755 7.952 ( -0.202 7.986 5.599) 9.755 8.207 ( 3.358 0.868 -3.145) 4.683 8.207 ( 3.358 0.868 3.145) 4.683 8.597 ( 3.205 0.692 -2.838) 4.337 8.597 ( 3.205 0.692 2.838) 4.337 8.813 ( -1.559 -4.062 -3.322) 5.474 8.813 ( -1.559 -4.062 3.322) 5.474 8.930 ( 0.615 -7.934 -5.231) 9.523 8.930 ( 0.615 -7.934 5.231) 9.523 9.075 ( -2.064 -2.427 -2.492) 4.045 9.075 ( -2.064 -2.427 2.492) 4.045 9.693 ( 0.205 -0.479 -0.501) 0.723 9.693 ( 0.205 -0.479 0.501) 0.723 9.757 ( -0.714 -2.350 -0.192) 2.464 9.757 ( -0.714 -2.350 0.192) 2.464 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -0.421 12.176 -0.708) 12.204 0.918 ( -0.421 12.176 0.708) 12.204 1.109 ( -0.234 4.508 -2.512) 5.166 1.109 ( -0.234 4.508 2.512) 5.166 1.425 ( 0.630 4.490 -0.695) 4.587 1.425 ( 0.630 4.490 0.695) 4.587 1.594 ( -2.958 7.723 -0.567) 8.289 1.594 ( -2.958 7.723 0.567) 8.289 1.806 ( 0.564 6.025 -0.832) 6.108 1.806 ( 0.564 6.025 0.832) 6.108 1.914 ( 2.001 5.334 -0.365) 5.708 1.914 ( 2.001 5.334 0.365) 5.708 2.186 ( -1.464 17.393 -0.681) 17.468 2.186 ( -1.464 17.393 0.681) 17.468 2.328 ( -0.881 10.613 -1.091) 10.705 2.328 ( -0.881 10.613 1.091) 10.705 2.646 ( 1.013 10.428 -0.213) 10.479 2.646 ( 1.013 10.428 0.213) 10.479 3.108 ( 5.065 16.092 -1.325) 16.922 3.108 ( 5.065 16.092 1.325) 16.922 3.396 ( -2.533 9.307 -1.114) 9.709 3.396 ( -2.533 9.307 1.114) 9.709 3.722 ( -0.185 -3.532 -1.305) 3.770 3.722 ( -0.185 -3.532 1.305) 3.770 5.424 ( 2.907 -0.561 -2.314) 3.757 5.424 ( 2.907 -0.561 2.314) 3.757 5.571 ( -4.075 -0.888 -0.527) 4.204 5.571 ( -4.075 -0.888 0.527) 4.204 6.540 ( 0.008 0.165 -1.211) 1.222 6.540 ( 0.008 0.165 1.211) 1.222 6.734 ( -3.222 10.207 -1.146) 10.764 6.734 ( -3.222 10.207 1.146) 10.764 6.958 ( 2.042 8.747 -3.229) 9.545 6.958 ( 2.042 8.747 3.229) 9.545 7.078 ( -1.274 6.418 -3.335) 7.344 7.078 ( -1.274 6.418 3.335) 7.344 7.267 ( 1.125 17.470 -0.890) 17.528 7.267 ( 1.125 17.470 0.890) 17.528 7.415 ( 1.144 -3.188 -1.249) 3.610 7.415 ( 1.144 -3.188 1.249) 3.610 7.474 ( -2.846 -1.670 -1.219) 3.518 7.474 ( -2.846 -1.670 1.219) 3.518 7.631 ( -1.031 -1.244 -1.091) 1.950 7.631 ( -1.031 -1.244 1.091) 1.950 7.952 ( 0.082 8.758 -2.012) 8.986 7.952 ( 0.082 8.758 2.012) 8.986 8.259 ( 1.193 -0.484 -0.810) 1.521 8.259 ( 1.193 -0.484 0.810) 1.521 8.682 ( 3.865 -0.160 -1.114) 4.025 8.682 ( 3.865 -0.160 1.114) 4.025 8.767 ( -2.505 -2.605 -1.103) 3.778 8.767 ( -2.505 -2.605 1.103) 3.778 8.955 ( 1.662 -6.204 -3.872) 7.499 8.955 ( 1.662 -6.204 3.872) 7.499 9.017 ( -2.785 -4.024 -3.081) 5.783 9.017 ( -2.785 -4.024 3.081) 5.783 9.699 ( 0.316 -0.555 -0.403) 0.755 9.699 ( 0.316 -0.555 0.403) 0.755 9.740 ( -0.660 -2.718 -0.227) 2.806 9.740 ( -0.660 -2.718 0.227) 2.806 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 0.000 7.327 -3.646) 8.184 1.137 ( 0.000 7.327 3.646) 8.184 1.319 ( 0.000 7.381 -1.671) 7.568 1.319 ( 0.000 7.381 1.671) 7.568 1.511 ( 0.000 6.975 -0.463) 6.990 1.511 ( 0.000 6.975 0.463) 6.990 1.715 ( 0.000 1.627 -0.680) 1.763 1.715 ( 0.000 1.627 0.680) 1.763 1.892 ( 0.000 6.958 -0.379) 6.968 1.892 ( 0.000 6.958 0.379) 6.968 2.010 ( 0.000 8.140 -0.490) 8.155 2.010 ( 0.000 8.140 0.490) 8.155 2.501 ( 0.000 8.394 -1.266) 8.489 2.501 ( 0.000 8.394 1.266) 8.489 2.565 ( 0.000 3.437 -2.596) 4.307 2.565 ( 0.000 3.437 2.596) 4.307 2.763 ( 0.000 8.627 -1.378) 8.737 2.763 ( 0.000 8.627 1.378) 8.737 3.249 ( 0.000 15.374 -1.806) 15.480 3.249 ( 0.000 15.374 1.806) 15.480 3.647 ( 0.000 1.845 -2.021) 2.737 3.647 ( 0.000 1.845 2.021) 2.737 3.704 ( 0.000 10.369 -2.238) 10.608 3.704 ( 0.000 10.369 2.238) 10.608 5.376 ( 0.000 2.066 -2.739) 3.431 5.376 ( 0.000 2.066 2.739) 3.431 5.615 ( 0.000 -4.217 -1.189) 4.381 5.615 ( 0.000 -4.217 1.189) 4.381 6.562 ( 0.000 -1.981 -2.121) 2.902 6.562 ( 0.000 -1.981 2.121) 2.902 6.832 ( 0.000 -1.619 -3.520) 3.875 6.832 ( 0.000 -1.619 3.520) 3.875 7.002 ( 0.000 1.618 -4.834) 5.097 7.002 ( 0.000 1.618 4.834) 5.097 7.179 ( 0.000 1.523 -4.226) 4.492 7.179 ( 0.000 1.523 4.226) 4.492 7.347 ( 0.000 0.134 -0.425) 0.445 7.347 ( 0.000 0.134 0.425) 0.445 7.509 ( 0.000 0.433 -1.214) 1.289 7.509 ( 0.000 0.433 1.214) 1.289 7.580 ( 0.000 9.303 -3.144) 9.820 7.580 ( 0.000 9.303 3.144) 9.820 7.736 ( 0.000 0.592 -1.983) 2.070 7.736 ( 0.000 0.592 1.983) 2.070 8.082 ( 0.000 5.049 -3.018) 5.882 8.082 ( 0.000 5.049 3.018) 5.882 8.238 ( 0.000 5.616 -4.522) 7.210 8.238 ( 0.000 5.616 4.522) 7.210 8.555 ( 0.000 -1.140 -0.307) 1.181 8.555 ( 0.000 -1.140 0.307) 1.181 8.728 ( 0.000 -6.737 -4.574) 8.143 8.728 ( 0.000 -6.737 4.574) 8.143 8.787 ( 0.000 -4.059 -4.244) 5.872 8.787 ( 0.000 -4.059 4.244) 5.872 9.076 ( 0.000 -1.195 -3.405) 3.608 9.076 ( 0.000 -1.195 3.405) 3.608 9.714 ( 0.000 2.456 -0.430) 2.493 9.714 ( 0.000 2.456 0.430) 2.493 9.760 ( 0.000 2.246 -0.324) 2.269 9.760 ( 0.000 2.246 0.324) 2.269 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 0.106 7.860 -2.508) 8.251 1.138 ( 0.106 7.860 2.508) 8.251 1.275 ( -3.349 7.890 -0.902) 8.618 1.275 ( -3.349 7.890 0.902) 8.618 1.512 ( 0.149 5.809 -0.636) 5.846 1.512 ( 0.149 5.809 0.636) 5.846 1.731 ( 0.853 2.868 -0.496) 3.033 1.731 ( 0.853 2.868 0.496) 3.033 1.907 ( 1.083 6.609 -0.597) 6.724 1.907 ( 1.083 6.609 0.597) 6.724 2.016 ( 0.771 8.405 -0.380) 8.449 2.016 ( 0.771 8.405 0.380) 8.449 2.474 ( -1.530 6.275 -0.084) 6.460 2.474 ( -1.530 6.275 0.084) 6.460 2.557 ( -1.749 8.037 -1.004) 8.287 2.557 ( -1.749 8.037 1.004) 8.287 2.763 ( 0.735 6.572 -0.946) 6.680 2.763 ( 0.735 6.572 0.946) 6.680 3.287 ( 2.747 11.312 -1.051) 11.688 3.287 ( 2.747 11.312 1.051) 11.688 3.637 ( -0.693 6.533 -2.547) 7.046 3.637 ( -0.693 6.533 2.547) 7.046 3.708 ( 0.220 7.818 -1.272) 7.923 3.708 ( 0.220 7.818 1.272) 7.923 5.390 ( 1.218 1.678 -2.585) 3.314 5.390 ( 1.218 1.678 2.585) 3.314 5.600 ( -1.344 -2.779 -0.692) 3.163 5.600 ( -1.344 -2.779 0.692) 3.163 6.533 ( -2.245 -2.380 -3.028) 4.458 6.533 ( -2.245 -2.380 3.028) 4.458 6.836 ( -0.157 -1.938 -2.072) 2.841 6.836 ( -0.157 -1.938 2.072) 2.841 7.010 ( 1.460 2.981 -5.117) 6.099 7.010 ( 1.460 2.981 5.117) 6.099 7.191 ( 0.530 2.096 -4.269) 4.785 7.191 ( 0.530 2.096 4.269) 4.785 7.349 ( 0.172 -0.509 -1.555) 1.645 7.349 ( 0.172 -0.509 1.555) 1.645 7.484 ( -2.277 0.187 -1.700) 2.848 7.484 ( -2.277 0.187 1.700) 2.848 7.564 ( -0.889 6.292 -1.160) 6.460 7.564 ( -0.889 6.292 1.160) 6.460 7.699 ( -2.890 4.390 -1.806) 5.557 7.699 ( -2.890 4.390 1.806) 5.557 8.107 ( 2.111 6.324 -3.249) 7.417 8.107 ( 2.111 6.324 3.249) 7.417 8.245 ( 0.283 3.116 -3.976) 5.059 8.245 ( 0.283 3.116 3.976) 5.059 8.593 ( 2.957 -1.594 -0.679) 3.427 8.593 ( 2.957 -1.594 0.679) 3.427 8.714 ( -1.068 -5.606 -3.390) 6.638 8.714 ( -1.068 -5.606 3.390) 6.638 8.806 ( 1.703 -4.060 -4.650) 6.404 8.806 ( 1.703 -4.060 4.650) 6.404 9.047 ( -2.572 -1.298 -4.607) 5.434 9.047 ( -2.572 -1.298 4.607) 5.434 9.717 ( 0.237 2.678 -0.386) 2.716 9.717 ( 0.237 2.678 0.386) 2.716 9.750 ( -0.809 2.261 -0.232) 2.412 9.750 ( -0.809 2.261 0.232) 2.412 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.141 10.271 -0.518) 10.285 1.141 ( 0.141 10.271 0.518) 10.285 1.210 ( -1.899 6.140 -0.777) 6.474 1.210 ( -1.899 6.140 0.777) 6.474 1.516 ( 0.185 4.282 -0.375) 4.303 1.516 ( 0.185 4.282 0.375) 4.303 1.736 ( -0.163 6.217 -0.232) 6.224 1.736 ( -0.163 6.217 0.232) 6.224 1.924 ( 0.349 6.261 -0.411) 6.284 1.924 ( 0.349 6.261 0.411) 6.284 2.045 ( 1.295 7.826 -0.105) 7.933 2.045 ( 1.295 7.826 0.105) 7.933 2.456 ( 0.008 4.959 -0.803) 5.024 2.456 ( 0.008 4.959 0.803) 5.024 2.498 ( -2.599 11.376 -0.510) 11.680 2.498 ( -2.599 11.376 0.510) 11.680 2.792 ( 1.153 4.869 -0.243) 5.009 2.792 ( 1.153 4.869 0.243) 5.009 3.336 ( 1.298 4.105 -0.423) 4.326 3.336 ( 1.298 4.105 0.423) 4.326 3.625 ( -0.257 13.467 -2.008) 13.618 3.625 ( -0.257 13.467 2.008) 13.618 3.710 ( -0.022 5.423 -1.063) 5.526 3.710 ( -0.022 5.423 1.063) 5.526 5.421 ( 1.169 0.242 -1.407) 1.845 5.421 ( 1.169 0.242 1.407) 1.845 5.567 ( -1.242 0.310 -0.253) 1.305 5.567 ( -1.242 0.310 0.253) 1.305 6.489 ( -1.318 -3.537 -1.670) 4.128 6.489 ( -1.318 -3.537 1.670) 4.128 6.823 ( -0.550 0.160 -0.872) 1.044 6.823 ( -0.550 0.160 0.872) 1.044 7.075 ( 4.022 3.458 -4.672) 7.068 7.075 ( 4.022 3.458 4.672) 7.068 7.167 ( -3.079 2.889 -4.374) 6.079 7.167 ( -3.079 2.889 4.374) 6.079 7.366 ( 1.637 -1.697 -1.741) 2.931 7.366 ( 1.637 -1.697 1.741) 2.931 7.426 ( -2.578 -1.719 -1.418) 3.407 7.426 ( -2.578 -1.719 1.418) 3.407 7.564 ( 0.876 1.345 -1.192) 2.000 7.564 ( 0.876 1.345 1.192) 2.000 7.633 ( -2.546 11.463 -1.392) 11.824 7.633 ( -2.546 11.463 1.392) 11.824 8.157 ( 1.885 9.120 -2.545) 9.654 8.157 ( 1.885 9.120 2.545) 9.654 8.241 ( -0.565 -0.642 -2.803) 2.930 8.241 ( -0.565 -0.642 2.803) 2.930 8.651 ( 1.754 -4.253 -2.129) 5.069 8.651 ( 1.754 -4.253 2.129) 5.069 8.692 ( -0.777 -3.081 -1.653) 3.582 8.692 ( -0.777 -3.081 1.653) 3.582 8.862 ( 3.120 -3.462 -5.609) 7.292 8.862 ( 3.120 -3.462 5.609) 7.292 8.974 ( -3.582 -1.327 -5.246) 6.489 8.974 ( -3.582 -1.327 5.246) 6.489 9.723 ( 0.251 2.746 -0.320) 2.776 9.723 ( 0.251 2.746 0.320) 2.776 9.732 ( -0.646 2.591 -0.166) 2.675 9.732 ( -0.646 2.591 0.166) 2.675 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 0.000 7.496 -2.270) 7.833 1.282 ( 0.000 7.496 2.270) 7.833 1.441 ( 0.000 5.467 -1.031) 5.564 1.441 ( 0.000 5.467 1.031) 5.564 1.617 ( 0.000 3.416 -0.767) 3.501 1.617 ( 0.000 3.416 0.767) 3.501 1.753 ( 0.000 1.728 -0.349) 1.763 1.753 ( 0.000 1.728 0.349) 1.763 2.016 ( 0.000 5.890 -0.139) 5.891 2.016 ( 0.000 5.890 0.139) 5.891 2.173 ( 0.000 8.428 -0.096) 8.428 2.173 ( 0.000 8.428 0.096) 8.428 2.523 ( 0.000 -3.289 -1.400) 3.574 2.523 ( 0.000 -3.289 1.400) 3.574 2.625 ( 0.000 1.693 -0.361) 1.731 2.625 ( 0.000 1.693 0.361) 1.731 2.907 ( 0.000 5.756 -1.195) 5.879 2.907 ( 0.000 5.756 1.195) 5.879 3.324 ( 0.000 -4.604 -2.256) 5.127 3.324 ( 0.000 -4.604 2.256) 5.127 3.830 ( 0.000 14.718 -1.422) 14.786 3.830 ( 0.000 14.718 1.422) 14.786 3.937 ( 0.000 11.305 -1.815) 11.450 3.937 ( 0.000 11.305 1.815) 11.450 5.419 ( 0.000 2.050 -1.492) 2.535 5.419 ( 0.000 2.050 1.492) 2.535 5.553 ( 0.000 -2.040 -0.511) 2.104 5.553 ( 0.000 -2.040 0.511) 2.104 6.518 ( 0.000 -2.126 -2.776) 3.496 6.518 ( 0.000 -2.126 2.776) 3.496 6.791 ( 0.000 -2.062 -2.340) 3.119 6.791 ( 0.000 -2.062 2.340) 3.119 7.032 ( 0.000 1.472 -5.594) 5.784 7.032 ( 0.000 1.472 5.594) 5.784 7.168 ( 0.000 -0.769 -0.582) 0.964 7.168 ( 0.000 -0.769 0.582) 0.964 7.368 ( 0.000 0.462 -4.115) 4.141 7.368 ( 0.000 0.462 4.115) 4.141 7.436 ( 0.000 -5.596 -1.135) 5.710 7.436 ( 0.000 -5.596 1.135) 5.710 7.728 ( 0.000 4.729 -1.331) 4.913 7.728 ( 0.000 4.729 1.331) 4.913 7.774 ( 0.000 3.040 -2.644) 4.029 7.774 ( 0.000 3.040 2.644) 4.029 8.186 ( 0.000 5.598 -0.928) 5.674 8.186 ( 0.000 5.598 0.928) 5.674 8.323 ( 0.000 2.929 -1.728) 3.401 8.323 ( 0.000 2.929 1.728) 3.401 8.513 ( 0.000 -2.954 -2.352) 3.776 8.513 ( 0.000 -2.954 2.352) 3.776 8.592 ( 0.000 -6.179 -3.194) 6.956 8.592 ( 0.000 -6.179 3.194) 6.956 8.762 ( 0.000 0.233 -1.905) 1.919 8.762 ( 0.000 0.233 1.905) 1.919 9.033 ( 0.000 -3.239 -3.769) 4.970 9.033 ( 0.000 -3.239 3.769) 4.970 9.776 ( 0.000 3.954 -1.322) 4.169 9.776 ( 0.000 3.954 1.322) 4.169 9.846 ( 0.000 5.464 -0.875) 5.534 9.846 ( 0.000 5.464 0.875) 5.534 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( 0.393 7.372 -2.025) 7.656 1.285 ( 0.393 7.372 2.025) 7.656 1.415 ( -2.245 6.388 -1.022) 6.847 1.415 ( -2.245 6.388 1.022) 6.847 1.600 ( -1.211 3.035 -0.924) 3.395 1.600 ( -1.211 3.035 0.924) 3.395 1.775 ( 1.512 1.046 -1.016) 2.101 1.775 ( 1.512 1.046 1.016) 2.101 2.035 ( 1.550 6.559 -0.335) 6.748 2.035 ( 1.550 6.559 0.335) 6.748 2.181 ( 0.674 8.259 -0.529) 8.303 2.181 ( 0.674 8.259 0.529) 8.303 2.505 ( -1.017 -1.240 -0.895) 1.836 2.505 ( -1.017 -1.240 0.895) 1.836 2.652 ( 1.397 1.250 -0.529) 1.948 2.652 ( 1.397 1.250 0.529) 1.948 2.879 ( -1.962 5.045 -0.842) 5.479 2.879 ( -1.962 5.045 0.842) 5.479 3.307 ( -1.411 -5.482 -1.599) 5.882 3.307 ( -1.411 -5.482 1.599) 5.882 3.852 ( 1.713 14.080 -1.470) 14.260 3.852 ( 1.713 14.080 1.470) 14.260 3.931 ( -0.520 11.503 -1.201) 11.577 3.931 ( -0.520 11.503 1.201) 11.577 5.425 ( 0.449 1.718 -1.446) 2.290 5.425 ( 0.449 1.718 1.446) 2.290 5.560 ( 0.542 -1.328 -0.399) 1.489 5.560 ( 0.542 -1.328 0.399) 1.489 6.492 ( -2.230 -1.411 -3.766) 4.599 6.492 ( -2.230 -1.411 3.766) 4.599 6.780 ( -0.594 -3.268 -2.300) 4.040 6.780 ( -0.594 -3.268 2.300) 4.040 7.050 ( 1.680 1.415 -4.987) 5.449 7.050 ( 1.680 1.415 4.987) 5.449 7.187 ( 1.468 -0.834 -1.373) 2.176 7.187 ( 1.468 -0.834 1.373) 2.176 7.360 ( -0.931 0.037 -3.445) 3.569 7.360 ( -0.931 0.037 3.445) 3.569 7.423 ( -1.280 -4.566 -1.500) 4.973 7.423 ( -1.280 -4.566 1.500) 4.973 7.643 ( -4.237 3.883 -0.808) 5.804 7.643 ( -4.237 3.883 0.808) 5.804 7.826 ( 1.769 5.204 -1.937) 5.827 7.826 ( 1.769 5.204 1.937) 5.827 8.195 ( 0.826 3.956 -1.685) 4.378 8.195 ( 0.826 3.956 1.685) 4.378 8.314 ( -0.449 3.233 -2.252) 3.966 8.314 ( -0.449 3.233 2.252) 3.966 8.535 ( 1.536 -3.569 -2.261) 4.495 8.535 ( 1.536 -3.569 2.261) 4.495 8.610 ( 1.418 -4.949 -2.615) 5.775 8.610 ( 1.418 -4.949 2.615) 5.775 8.771 ( 0.998 -0.322 -1.793) 2.077 8.771 ( 0.998 -0.322 1.793) 2.077 9.003 ( -2.622 -3.264 -4.603) 6.222 9.003 ( -2.622 -3.264 4.603) 6.222 9.786 ( 0.753 4.318 -1.080) 4.514 9.786 ( 0.753 4.318 1.080) 4.514 9.839 ( -0.615 5.663 -0.602) 5.728 9.839 ( -0.615 5.663 0.602) 5.728 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.997 6.654 -1.272) 6.848 1.301 ( 0.997 6.654 1.272) 6.848 1.360 ( -2.205 8.284 -0.863) 8.616 1.360 ( -2.205 8.284 0.863) 8.616 1.578 ( -0.588 2.249 -0.390) 2.357 1.578 ( -0.588 2.249 0.390) 2.357 1.802 ( 0.743 0.241 -0.447) 0.900 1.802 ( 0.743 0.241 0.447) 0.900 2.067 ( 0.985 8.422 -0.181) 8.482 2.067 ( 0.985 8.422 0.181) 8.482 2.197 ( 0.561 7.063 -0.362) 7.094 2.197 ( 0.561 7.063 0.362) 7.094 2.495 ( 0.113 1.084 -0.355) 1.146 2.495 ( 0.113 1.084 0.355) 1.146 2.654 ( -0.870 3.348 -0.534) 3.500 2.654 ( -0.870 3.348 0.534) 3.500 2.855 ( -0.140 2.116 -0.230) 2.133 2.855 ( -0.140 2.116 0.230) 2.133 3.277 ( -0.959 -6.868 -0.433) 6.948 3.277 ( -0.959 -6.868 0.433) 6.948 3.889 ( 1.474 12.767 -1.220) 12.910 3.889 ( 1.474 12.767 1.220) 12.910 3.915 ( -0.868 12.232 -0.485) 12.272 3.915 ( -0.868 12.232 0.485) 12.272 5.434 ( 0.266 1.135 -0.691) 1.355 5.434 ( 0.266 1.135 0.691) 1.355 5.571 ( 0.346 -0.120 -0.198) 0.416 5.571 ( 0.346 -0.120 0.198) 0.416 6.443 ( -1.580 -0.717 -1.946) 2.607 6.443 ( -1.580 -0.717 1.946) 2.607 6.773 ( -0.110 -4.478 -1.089) 4.609 6.773 ( -0.110 -4.478 1.089) 4.609 7.106 ( 3.032 0.214 -3.398) 4.559 7.106 ( 3.032 0.214 3.398) 4.559 7.203 ( -0.873 1.115 -2.416) 2.801 7.203 ( -0.873 1.115 2.416) 2.801 7.336 ( -0.155 -2.051 -2.170) 2.990 7.336 ( -0.155 -2.051 2.170) 2.990 7.380 ( -2.260 -2.345 -1.410) 3.549 7.380 ( -2.260 -2.345 1.410) 3.549 7.588 ( -0.869 3.489 -0.759) 3.675 7.588 ( -0.869 3.489 0.759) 3.675 7.842 ( 0.041 6.956 -1.031) 7.033 7.842 ( 0.041 6.956 1.031) 7.033 8.211 ( 0.359 0.825 -1.395) 1.659 8.211 ( 0.359 0.825 1.395) 1.659 8.314 ( 0.320 4.713 -1.571) 4.978 8.314 ( 0.320 4.713 1.571) 4.978 8.559 ( 0.466 -3.869 -1.462) 4.162 8.559 ( 0.466 -3.869 1.462) 4.162 8.640 ( 0.967 -3.196 -0.753) 3.423 8.640 ( 0.967 -3.196 0.753) 3.423 8.810 ( 2.248 -2.012 -4.148) 5.129 8.810 ( 2.248 -2.012 4.148) 5.129 8.932 ( -3.196 -3.161 -4.526) 6.379 8.932 ( -3.196 -3.161 4.526) 6.379 9.803 ( 0.756 5.226 -0.593) 5.313 9.803 ( 0.756 5.226 0.593) 5.313 9.823 ( -0.689 5.694 -0.191) 5.739 9.823 ( -0.689 5.694 0.191) 5.739 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.000 6.140 -1.093) 6.237 1.418 ( 0.000 6.140 1.093) 6.237 1.523 ( 0.000 2.410 -0.483) 2.458 1.523 ( 0.000 2.410 0.483) 2.458 1.654 ( 0.000 0.789 -0.198) 0.814 1.654 ( 0.000 0.789 0.198) 0.814 1.762 ( 0.000 -0.709 -0.401) 0.814 1.762 ( 0.000 -0.709 0.401) 0.814 2.130 ( 0.000 5.837 -0.323) 5.846 2.130 ( 0.000 5.837 0.323) 5.846 2.325 ( 0.000 6.694 -0.453) 6.709 2.325 ( 0.000 6.694 0.453) 6.709 2.443 ( 0.000 -4.427 -0.255) 4.434 2.443 ( 0.000 -4.427 0.255) 4.434 2.614 ( 0.000 -2.290 -0.246) 2.303 2.614 ( 0.000 -2.290 0.246) 2.303 2.994 ( 0.000 3.594 -0.949) 3.717 2.994 ( 0.000 3.594 0.949) 3.717 3.208 ( 0.000 -6.073 -1.777) 6.328 3.208 ( 0.000 -6.073 1.777) 6.328 4.073 ( 0.000 8.972 -0.908) 9.018 4.073 ( 0.000 8.972 0.908) 9.018 4.117 ( 0.000 6.759 -1.033) 6.837 4.117 ( 0.000 6.759 1.033) 6.837 5.448 ( 0.000 0.844 -0.542) 1.003 5.448 ( 0.000 0.844 0.542) 1.003 5.533 ( 0.000 -0.259 -0.047) 0.263 5.533 ( 0.000 -0.259 0.047) 0.263 6.489 ( 0.000 -0.845 -1.940) 2.116 6.489 ( 0.000 -0.845 1.940) 2.116 6.760 ( 0.000 -1.079 -1.415) 1.779 6.760 ( 0.000 -1.079 1.415) 1.779 7.066 ( 0.000 2.278 -3.978) 4.584 7.066 ( 0.000 2.278 3.978) 4.584 7.173 ( 0.000 0.954 -1.622) 1.882 7.173 ( 0.000 0.954 1.622) 1.882 7.296 ( 0.000 -6.158 -0.559) 6.184 7.296 ( 0.000 -6.158 0.559) 6.184 7.383 ( 0.000 -0.735 -2.023) 2.152 7.383 ( 0.000 -0.735 2.023) 2.152 7.766 ( 0.000 0.289 -0.235) 0.372 7.766 ( 0.000 0.289 0.235) 0.372 7.843 ( 0.000 2.965 -1.563) 3.352 7.843 ( 0.000 2.965 1.563) 3.352 8.293 ( 0.000 4.979 -1.100) 5.099 8.293 ( 0.000 4.979 1.100) 5.099 8.359 ( 0.000 1.039 -1.024) 1.459 8.359 ( 0.000 1.039 1.024) 1.459 8.455 ( 0.000 -2.367 -2.055) 3.134 8.455 ( 0.000 -2.367 2.055) 3.134 8.502 ( 0.000 -3.350 -1.441) 3.647 8.502 ( 0.000 -3.350 1.441) 3.647 8.772 ( 0.000 0.571 -0.847) 1.022 8.772 ( 0.000 0.571 0.847) 1.022 8.962 ( 0.000 -3.527 -2.667) 4.422 8.962 ( 0.000 -3.527 2.667) 4.422 9.855 ( 0.000 3.626 -1.263) 3.839 9.855 ( 0.000 3.626 1.263) 3.839 9.936 ( 0.000 3.264 -0.874) 3.379 9.936 ( 0.000 3.264 0.874) 3.379 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -0.059 5.817 -1.078) 5.917 1.417 ( -0.059 5.817 1.078) 5.917 1.508 ( -1.254 2.712 -0.627) 3.053 1.508 ( -1.254 2.712 0.627) 3.053 1.642 ( -0.963 1.600 -1.303) 2.277 1.642 ( -0.963 1.600 1.303) 2.277 1.762 ( 0.041 -1.912 -1.216) 2.266 1.762 ( 0.041 -1.912 1.216) 2.266 2.162 ( 2.689 6.297 -0.675) 6.880 2.162 ( 2.689 6.297 0.675) 6.880 2.324 ( -0.202 5.809 -0.996) 5.897 2.324 ( -0.202 5.809 0.996) 5.897 2.466 ( 1.994 -2.202 -0.857) 3.092 2.466 ( 1.994 -2.202 0.857) 3.092 2.625 ( 0.879 -3.175 -0.635) 3.355 2.625 ( 0.879 -3.175 0.635) 3.355 2.960 ( -2.779 3.786 -0.713) 4.750 2.960 ( -2.779 3.786 0.713) 4.750 3.182 ( -2.145 -6.487 -1.142) 6.928 3.182 ( -2.145 -6.487 1.142) 6.928 4.082 ( 0.667 8.549 -0.828) 8.614 4.082 ( 0.667 8.549 0.828) 8.614 4.116 ( -0.120 6.891 -0.872) 6.947 4.116 ( -0.120 6.891 0.872) 6.947 5.454 ( 0.518 1.262 -0.577) 1.481 5.454 ( 0.518 1.262 0.577) 1.481 5.541 ( 0.639 -0.761 -0.212) 1.016 5.541 ( 0.639 -0.761 0.212) 1.016 6.483 ( -0.597 0.342 -3.043) 3.120 6.483 ( -0.597 0.342 3.043) 3.120 6.721 ( -2.759 -2.539 -2.195) 4.345 6.721 ( -2.759 -2.539 2.195) 4.345 7.079 ( 1.092 1.816 -3.416) 4.020 7.079 ( 1.092 1.816 3.416) 4.020 7.181 ( 0.630 -0.249 -1.658) 1.791 7.181 ( 0.630 -0.249 1.658) 1.791 7.302 ( 0.343 -4.150 -0.883) 4.256 7.302 ( 0.343 -4.150 0.883) 4.256 7.374 ( -0.883 -1.195 -2.258) 2.703 7.374 ( -0.883 -1.195 2.258) 2.703 7.723 ( -2.495 3.946 -1.096) 4.795 7.723 ( -2.495 3.946 1.096) 4.795 7.871 ( 1.348 -0.126 -2.737) 3.053 7.871 ( 1.348 -0.126 2.737) 3.053 8.285 ( -0.618 4.984 -0.799) 5.085 8.285 ( -0.618 4.984 0.799) 5.085 8.359 ( 0.307 1.371 -1.247) 1.879 8.359 ( 0.307 1.371 1.247) 1.879 8.480 ( 1.827 -1.883 -1.559) 3.052 8.480 ( 1.827 -1.883 1.559) 3.052 8.523 ( 1.728 -3.907 -1.631) 4.573 8.523 ( 1.728 -3.907 1.631) 4.573 8.771 ( 0.052 0.161 -0.669) 0.690 8.771 ( 0.052 0.161 0.669) 0.690 8.932 ( -2.591 -3.485 -3.017) 5.288 8.932 ( -2.591 -3.485 3.017) 5.288 9.869 ( 1.160 3.709 -1.000) 4.013 9.869 ( 1.160 3.709 1.000) 4.013 9.934 ( -0.280 3.520 -0.620) 3.585 9.934 ( -0.280 3.520 0.620) 3.585 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.070 5.087 -0.635) 5.127 1.417 ( 0.070 5.087 0.635) 5.127 1.479 ( -1.012 3.224 -0.500) 3.416 1.479 ( -1.012 3.224 0.500) 3.416 1.623 ( -0.545 2.742 -0.780) 2.903 1.623 ( -0.545 2.742 0.780) 2.903 1.763 ( 0.027 -3.506 -0.689) 3.573 1.763 ( 0.027 -3.506 0.689) 3.573 2.228 ( 2.709 7.404 -0.942) 7.940 2.228 ( 2.709 7.404 0.942) 7.940 2.309 ( -1.185 4.666 -1.102) 4.939 2.309 ( -1.185 4.666 1.102) 4.939 2.520 ( 2.338 0.890 -0.660) 2.587 2.520 ( 2.338 0.890 0.660) 2.587 2.637 ( -0.096 -4.016 -0.836) 4.103 2.637 ( -0.096 -4.016 0.836) 4.103 2.899 ( -1.936 3.299 -0.202) 3.831 2.899 ( -1.936 3.299 0.202) 3.831 3.136 ( -1.481 -7.190 -0.196) 7.344 3.136 ( -1.481 -7.190 0.196) 7.344 4.095 ( 0.376 7.837 -0.439) 7.858 4.095 ( 0.376 7.837 0.439) 7.858 4.113 ( -0.065 7.230 -0.433) 7.243 4.113 ( -0.065 7.230 0.433) 7.243 5.465 ( 0.315 1.976 -0.270) 2.020 5.465 ( 0.315 1.976 0.270) 2.020 5.555 ( 0.409 -1.590 -0.119) 1.646 5.555 ( 0.409 -1.590 0.119) 1.646 6.466 ( -0.699 2.882 -1.965) 3.557 6.466 ( -0.699 2.882 1.965) 3.557 6.673 ( -1.222 -5.402 -1.520) 5.744 6.673 ( -1.222 -5.402 1.520) 5.744 7.109 ( 1.251 0.570 -1.660) 2.155 7.109 ( 1.251 0.570 1.660) 2.155 7.194 ( 0.391 -2.354 -0.629) 2.468 7.194 ( 0.391 -2.354 0.629) 2.468 7.301 ( -0.369 -0.460 -0.727) 0.936 7.301 ( -0.369 -0.460 0.727) 0.936 7.348 ( -1.004 -1.315 -1.315) 2.113 7.348 ( -1.004 -1.315 1.315) 2.113 7.686 ( -0.746 6.039 -0.687) 6.124 7.686 ( -0.746 6.039 0.687) 6.124 7.886 ( 0.182 -1.768 -1.511) 2.333 7.886 ( 0.182 -1.768 1.511) 2.333 8.272 ( -0.417 5.054 -0.342) 5.083 8.272 ( -0.417 5.054 0.342) 5.083 8.376 ( 0.812 1.664 -0.738) 1.993 8.376 ( 0.812 1.664 0.738) 1.993 8.510 ( 0.631 -1.369 -0.896) 1.753 8.510 ( 0.631 -1.369 0.896) 1.753 8.564 ( 1.476 -4.273 -0.722) 4.578 8.564 ( 1.476 -4.273 0.722) 4.578 8.782 ( 1.075 -0.791 -2.011) 2.414 8.782 ( 1.075 -0.791 2.011) 2.414 8.864 ( -2.990 -3.307 -2.775) 5.251 8.864 ( -2.990 -3.307 2.775) 5.251 9.898 ( 1.320 3.908 -0.477) 4.153 9.898 ( 1.320 3.908 0.477) 4.153 9.922 ( -0.785 3.873 -0.148) 3.955 9.922 ( -0.785 3.873 0.148) 3.955 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 0.000 0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 -0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 -0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 -0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 -0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 -0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.127 ( 0.000 0.000 -0.000) 0.000 3.127 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 -0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 -0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.532 ( 0.000 0.000 -0.000) 0.000 5.532 ( 0.000 0.000 0.000) 0.000 6.482 ( 0.000 0.000 -0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.749 ( 0.000 0.000 -0.000) 0.000 6.749 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 -0.000) 0.000 7.106 ( 0.000 0.000 -0.000) 0.000 7.183 ( 0.000 0.000 -0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.218 ( 0.000 0.000 0.000) 0.000 7.373 ( 0.000 0.000 -0.000) 0.000 7.373 ( 0.000 0.000 0.000) 0.000 7.766 ( 0.000 0.000 -0.000) 0.000 7.766 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 -0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.372 ( 0.000 0.000 -0.000) 0.000 8.372 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 -0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 -0.000 0.000) 0.000 8.451 ( 0.000 -0.000 -0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 8.779 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 9.895 ( 0.000 0.000 -0.000) 0.000 9.895 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 -0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -0.480 0.000 0.000) 0.480 1.488 ( -0.480 0.000 0.000) 0.480 1.522 ( -1.024 0.000 0.000) 1.024 1.522 ( -1.024 0.000 0.000) 1.024 1.662 ( 0.272 0.000 0.000) 0.272 1.662 ( 0.272 0.000 0.000) 0.272 1.733 ( -1.340 0.000 -0.000) 1.340 1.733 ( -1.340 0.000 0.000) 1.340 2.246 ( 3.169 0.000 -0.000) 3.169 2.246 ( 3.169 0.000 0.000) 3.169 2.366 ( -0.302 0.000 0.000) 0.302 2.366 ( -0.302 0.000 0.000) 0.302 2.455 ( 3.326 0.000 0.000) 3.326 2.455 ( 3.326 0.000 0.000) 3.326 2.575 ( -0.175 0.000 -0.000) 0.175 2.575 ( -0.175 0.000 0.000) 0.175 3.026 ( -1.704 0.000 0.000) 1.704 3.026 ( -1.704 0.000 0.000) 1.704 3.087 ( -3.350 -0.000 0.000) 3.350 3.087 ( -3.350 0.000 0.000) 3.350 4.168 ( 0.471 0.000 -0.000) 0.471 4.168 ( 0.471 0.000 0.000) 0.471 4.184 ( -0.107 0.000 -0.000) 0.107 4.184 ( -0.107 0.000 0.000) 0.107 5.469 ( 1.162 0.000 0.000) 1.162 5.469 ( 1.162 0.000 0.000) 1.162 5.532 ( -0.115 0.000 0.000) 0.115 5.532 ( -0.115 0.000 0.000) 0.115 6.490 ( 0.823 0.000 -0.000) 0.823 6.490 ( 0.823 0.000 0.000) 0.823 6.694 ( -4.368 0.000 -0.000) 4.368 6.694 ( -4.368 0.000 0.000) 4.368 7.113 ( 0.624 0.000 -0.000) 0.624 7.113 ( 0.624 0.000 0.000) 0.624 7.161 ( -0.908 0.000 -0.000) 0.908 7.161 ( -0.908 0.000 0.000) 0.908 7.264 ( 2.596 0.000 -0.000) 2.596 7.264 ( 2.596 0.000 0.000) 2.596 7.358 ( -1.211 0.000 -0.000) 1.211 7.358 ( -1.211 0.000 0.000) 1.211 7.772 ( 0.566 0.000 -0.000) 0.566 7.772 ( 0.566 0.000 0.000) 0.566 7.857 ( -1.365 0.000 0.000) 1.365 7.857 ( -1.365 0.000 0.000) 1.365 8.350 ( 0.390 0.000 -0.000) 0.390 8.350 ( 0.390 0.000 0.000) 0.390 8.372 ( -0.060 0.000 -0.000) 0.060 8.372 ( -0.060 0.000 0.000) 0.060 8.465 ( 1.682 0.000 -0.000) 1.682 8.465 ( 1.682 0.000 0.000) 1.682 8.470 ( 1.522 -0.000 0.000) 1.522 8.470 ( 1.522 0.000 0.000) 1.522 8.774 ( -0.334 0.000 0.000) 0.334 8.774 ( -0.334 0.000 0.000) 0.334 8.893 ( -2.501 0.000 0.000) 2.501 8.893 ( -2.501 0.000 0.000) 2.501 9.909 ( 1.178 0.000 -0.000) 1.178 9.909 ( 1.178 0.000 0.000) 1.178 9.967 ( -0.037 0.000 -0.000) 0.037 9.967 ( -0.037 0.000 0.000) 0.037 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 5.25e-05 5.25e-05 5.25e-05 5.25e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.045 0.000 0.000) 0.045 1.482 ( 0.045 0.000 0.000) 0.045 1.495 ( -1.158 -0.000 0.000) 1.158 1.495 ( -1.158 0.000 0.000) 1.158 1.675 ( 0.879 -0.000 0.000) 0.879 1.675 ( 0.879 0.000 0.000) 0.879 1.700 ( -1.441 0.000 -0.000) 1.441 1.700 ( -1.441 0.000 0.000) 1.441 2.321 ( 3.002 0.000 -0.000) 3.002 2.321 ( 3.002 0.000 0.000) 3.002 2.360 ( -0.659 0.000 0.000) 0.659 2.360 ( -0.659 0.000 0.000) 0.659 2.528 ( 2.879 0.000 -0.000) 2.879 2.528 ( 2.879 0.000 0.000) 2.879 2.567 ( -0.748 0.000 0.000) 0.748 2.567 ( -0.748 0.000 0.000) 0.748 2.989 ( -0.971 0.000 0.000) 0.971 2.989 ( -0.971 0.000 0.000) 0.971 3.009 ( -2.856 -0.000 0.000) 2.856 3.009 ( -2.856 0.000 0.000) 2.856 4.177 ( 0.336 0.000 -0.000) 0.336 4.177 ( 0.336 0.000 0.000) 0.336 4.182 ( -0.109 0.000 -0.000) 0.109 4.182 ( -0.109 0.000 0.000) 0.109 5.499 ( 1.410 -0.000 0.000) 1.410 5.499 ( 1.410 0.000 0.000) 1.410 5.523 ( -0.743 -0.000 0.000) 0.743 5.523 ( -0.743 0.000 0.000) 0.743 6.522 ( 2.244 0.000 -0.000) 2.244 6.522 ( 2.244 0.000 0.000) 2.244 6.593 ( -4.234 0.000 -0.000) 4.234 6.593 ( -4.234 0.000 0.000) 4.234 7.131 ( 0.914 -0.000 -0.000) 0.914 7.131 ( 0.914 0.000 0.000) 0.914 7.147 ( -0.537 0.000 -0.000) 0.537 7.147 ( -0.537 0.000 0.000) 0.537 7.306 ( 1.222 0.000 -0.000) 1.222 7.306 ( 1.222 0.000 0.000) 1.222 7.330 ( -1.193 0.000 -0.000) 1.193 7.330 ( -1.193 0.000 0.000) 1.193 7.790 ( 1.125 -0.000 0.000) 1.125 7.790 ( 1.125 0.000 0.000) 1.125 7.821 ( -1.660 0.000 0.000) 1.660 7.821 ( -1.660 0.000 -0.000) 1.660 8.362 ( 0.532 0.000 -0.000) 0.532 8.362 ( 0.532 0.000 0.000) 0.532 8.370 ( -0.190 -0.000 -0.000) 0.190 8.370 ( -0.190 -0.000 0.000) 0.190 8.503 ( 1.092 -0.000 -0.000) 1.092 8.503 ( 1.092 0.000 -0.000) 1.092 8.503 ( 1.211 -0.000 0.000) 1.211 8.503 ( 1.211 0.000 0.000) 1.211 8.777 ( 1.029 0.000 0.000) 1.029 8.777 ( 1.029 0.000 0.000) 1.029 8.826 ( -3.153 0.000 0.000) 3.153 8.826 ( -3.153 0.000 0.000) 3.153 9.939 ( 1.332 0.000 -0.000) 1.332 9.939 ( 1.332 0.000 0.000) 1.332 9.961 ( -0.635 0.000 0.000) 0.635 9.961 ( -0.635 0.000 0.000) 0.635 =================== 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 3/16800 10.0 26.703 40.062 21.042 0.000 0.000 -0.000 3/16800 20.0 8.867 21.991 5.380 0.000 0.000 -0.000 3/16800 30.0 5.286 17.468 3.104 0.000 0.000 -0.000 3/16800 40.0 3.822 14.856 2.222 0.000 0.000 -0.000 3/16800 50.0 3.002 12.785 1.740 0.000 0.000 -0.000 3/16800 60.0 2.467 11.084 1.432 0.000 0.000 -0.000 3/16800 70.0 2.089 9.696 1.218 0.000 0.000 -0.000 3/16800 80.0 1.809 8.569 1.060 0.000 0.000 -0.000 3/16800 90.0 1.593 7.652 0.938 0.000 0.000 -0.000 3/16800 100.0 1.422 6.899 0.843 0.000 0.000 -0.000 3/16800 110.0 1.284 6.275 0.765 0.000 0.000 -0.000 3/16800 120.0 1.171 5.750 0.701 0.000 0.000 -0.000 3/16800 130.0 1.076 5.305 0.647 0.000 0.000 -0.000 3/16800 140.0 0.995 4.923 0.601 0.000 0.000 -0.000 3/16800 150.0 0.926 4.592 0.561 0.000 0.000 -0.000 3/16800 160.0 0.866 4.302 0.526 0.000 0.000 -0.000 3/16800 170.0 0.813 4.047 0.496 0.000 0.000 -0.000 3/16800 180.0 0.767 3.821 0.468 0.000 0.000 -0.000 3/16800 190.0 0.725 3.619 0.444 0.000 0.000 -0.000 3/16800 200.0 0.688 3.437 0.422 0.000 0.000 -0.000 3/16800 210.0 0.654 3.272 0.402 0.000 0.000 -0.000 3/16800 220.0 0.624 3.123 0.384 0.000 0.000 -0.000 3/16800 230.0 0.596 2.987 0.368 0.000 0.000 -0.000 3/16800 240.0 0.571 2.862 0.353 0.000 0.000 -0.000 3/16800 250.0 0.548 2.747 0.339 0.000 0.000 -0.000 3/16800 260.0 0.527 2.642 0.326 0.000 0.000 -0.000 3/16800 270.0 0.507 2.544 0.314 0.000 0.000 -0.000 3/16800 280.0 0.489 2.453 0.303 0.000 0.000 -0.000 3/16800 290.0 0.471 2.368 0.292 0.000 0.000 -0.000 3/16800 300.0 0.456 2.290 0.283 0.000 0.000 -0.000 3/16800 310.0 0.441 2.216 0.274 0.000 0.000 -0.000 3/16800 320.0 0.427 2.147 0.265 0.000 0.000 -0.000 3/16800 330.0 0.414 2.082 0.257 0.000 0.000 -0.000 3/16800 340.0 0.402 2.021 0.250 0.000 0.000 -0.000 3/16800 350.0 0.390 1.963 0.243 0.000 0.000 -0.000 3/16800 360.0 0.379 1.909 0.236 0.000 0.000 -0.000 3/16800 370.0 0.369 1.857 0.230 0.000 0.000 -0.000 3/16800 380.0 0.359 1.809 0.224 0.000 0.000 -0.000 3/16800 390.0 0.350 1.762 0.218 0.000 0.000 -0.000 3/16800 400.0 0.341 1.718 0.213 0.000 0.000 -0.000 3/16800 410.0 0.333 1.677 0.208 0.000 0.000 -0.000 3/16800 420.0 0.325 1.637 0.203 0.000 0.000 -0.000 3/16800 430.0 0.317 1.599 0.198 0.000 0.000 -0.000 3/16800 440.0 0.310 1.563 0.194 0.000 0.000 -0.000 3/16800 450.0 0.303 1.528 0.189 0.000 0.000 -0.000 3/16800 460.0 0.296 1.495 0.185 0.000 0.000 -0.000 3/16800 470.0 0.290 1.463 0.181 0.000 0.000 -0.000 3/16800 480.0 0.284 1.433 0.178 0.000 0.000 -0.000 3/16800 490.0 0.278 1.404 0.174 0.000 0.000 -0.000 3/16800 500.0 0.273 1.376 0.171 0.000 0.000 -0.000 3/16800 510.0 0.267 1.349 0.167 0.000 0.000 -0.000 3/16800 520.0 0.262 1.323 0.164 0.000 0.000 -0.000 3/16800 530.0 0.257 1.298 0.161 0.000 0.000 -0.000 3/16800 540.0 0.253 1.274 0.158 0.000 0.000 -0.000 3/16800 550.0 0.248 1.251 0.155 0.000 0.000 -0.000 3/16800 560.0 0.243 1.229 0.152 0.000 0.000 -0.000 3/16800 570.0 0.239 1.208 0.150 0.000 0.000 -0.000 3/16800 580.0 0.235 1.187 0.147 0.000 0.000 -0.000 3/16800 590.0 0.231 1.167 0.145 0.000 0.000 -0.000 3/16800 600.0 0.227 1.147 0.142 0.000 0.000 -0.000 3/16800 610.0 0.224 1.129 0.140 0.000 0.000 -0.000 3/16800 620.0 0.220 1.111 0.138 0.000 0.000 -0.000 3/16800 630.0 0.216 1.093 0.136 0.000 0.000 -0.000 3/16800 640.0 0.213 1.076 0.133 0.000 0.000 -0.000 3/16800 650.0 0.210 1.059 0.131 0.000 0.000 -0.000 3/16800 660.0 0.207 1.043 0.129 0.000 0.000 -0.000 3/16800 670.0 0.203 1.028 0.127 0.000 0.000 -0.000 3/16800 680.0 0.201 1.013 0.126 0.000 0.000 -0.000 3/16800 690.0 0.198 0.998 0.124 0.000 0.000 -0.000 3/16800 700.0 0.195 0.984 0.122 0.000 0.000 -0.000 3/16800 710.0 0.192 0.970 0.120 0.000 0.000 -0.000 3/16800 720.0 0.189 0.957 0.119 0.000 0.000 -0.000 3/16800 730.0 0.187 0.944 0.117 0.000 0.000 -0.000 3/16800 740.0 0.184 0.931 0.115 0.000 0.000 -0.000 3/16800 750.0 0.182 0.919 0.114 0.000 0.000 -0.000 3/16800 760.0 0.179 0.907 0.112 0.000 0.000 -0.000 3/16800 770.0 0.177 0.895 0.111 0.000 0.000 -0.000 3/16800 780.0 0.175 0.884 0.110 0.000 0.000 -0.000 3/16800 790.0 0.173 0.872 0.108 0.000 0.000 -0.000 3/16800 800.0 0.170 0.862 0.107 0.000 0.000 -0.000 3/16800 810.0 0.168 0.851 0.106 0.000 0.000 -0.000 3/16800 820.0 0.166 0.841 0.104 0.000 0.000 -0.000 3/16800 830.0 0.164 0.830 0.103 0.000 0.000 -0.000 3/16800 840.0 0.162 0.821 0.102 0.000 0.000 -0.000 3/16800 850.0 0.160 0.811 0.101 0.000 0.000 -0.000 3/16800 860.0 0.159 0.802 0.099 0.000 0.000 -0.000 3/16800 870.0 0.157 0.792 0.098 0.000 0.000 -0.000 3/16800 880.0 0.155 0.783 0.097 0.000 0.000 -0.000 3/16800 890.0 0.153 0.775 0.096 0.000 0.000 -0.000 3/16800 900.0 0.152 0.766 0.095 0.000 0.000 -0.000 3/16800 910.0 0.150 0.758 0.094 0.000 0.000 -0.000 3/16800 920.0 0.148 0.750 0.093 0.000 0.000 -0.000 3/16800 930.0 0.147 0.741 0.092 0.000 0.000 -0.000 3/16800 940.0 0.145 0.734 0.091 0.000 0.000 -0.000 3/16800 950.0 0.144 0.726 0.090 0.000 0.000 -0.000 3/16800 960.0 0.142 0.718 0.089 0.000 0.000 -0.000 3/16800 970.0 0.141 0.711 0.088 0.000 0.000 -0.000 3/16800 980.0 0.139 0.704 0.087 0.000 0.000 -0.000 3/16800 990.0 0.138 0.697 0.086 0.000 0.000 -0.000 3/16800 1000.0 0.136 0.690 0.086 0.000 0.000 -0.000 3/16800 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:02:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|