----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:06:49]------------------------- 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: [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.215346630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873788599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.532825199999998 Atomic positions (fractional): *1 Ca 0.00000000000000 0.84686726549021 0.85859521633241 40.078 *2 Ca 0.50000000000000 0.86814922204191 0.65149197772313 40.078 *3 Ca 0.50000000000000 0.89095943004645 0.04564790058612 40.078 4 Ca 0.50000000000000 0.10904056995354 0.54564790058612 40.078 5 Ca 0.50000000000000 0.13185077795809 0.15149197772313 40.078 6 Ca 0.00000000000000 0.15313273450979 0.35859521633241 40.078 *7 Ca 0.00000000000000 0.34028165683369 0.64379054759460 40.078 *8 Ca 0.50000000000000 0.37150903540986 0.85421861279194 40.078 *9 Ca 0.00000000000000 0.38721575832946 0.04682869762194 40.078 10 Ca 0.00000000000000 0.61278424167054 0.54682869762194 40.078 11 Ca 0.50000000000000 0.62849096459014 0.35421861279194 40.078 12 Ca 0.00000000000000 0.65971834316631 0.14379054759460 40.078 *13 In 0.00000000000000 0.87379225423584 0.45338043144212 114.818 *14 In 0.50000000000000 0.90303117636901 0.27302170194054 114.818 15 In 0.50000000000000 0.09696882363099 0.77302170194054 114.818 16 In 0.00000000000000 0.12620774576416 0.95338043144212 114.818 *17 In 0.50000000000000 0.38203723159322 0.45879010835568 114.818 *18 In 0.50000000000000 0.40071725832650 0.23426475797395 114.818 19 In 0.50000000000000 0.59928274167351 0.73426475797395 114.818 20 In 0.50000000000000 0.61796276840678 0.95879010835568 114.818 *21 O 0.00000000000000 0.75114431925757 0.99627222888770 15.999 *22 O 0.50000000000000 0.74424181927520 0.48838322296387 15.999 *23 O 0.50000000000000 0.79980158775743 0.16681191084793 15.999 *24 O 0.00000000000000 0.79143003137622 0.33295059794907 15.999 *25 O 0.00000000000000 0.96560075736951 0.74450663410922 15.999 *26 O 0.50000000000000 0.99746923124421 0.90615825468264 15.999 *27 O 0.00000000000000 0.96088980805529 0.56778439368176 15.999 28 O 0.00000000000000 0.03911019194471 0.06778439368176 15.999 29 O 0.50000000000000 0.00253076875579 0.40615825468264 15.999 30 O 0.00000000000000 0.03439924263049 0.24450663410922 15.999 31 O 0.00000000000000 0.20856996862378 0.83295059794907 15.999 32 O 0.50000000000000 0.20019841224257 0.66681191084793 15.999 33 O 0.50000000000000 0.25575818072480 0.98838322296387 15.999 34 O 0.00000000000000 0.24885568074243 0.49627222888770 15.999 *35 O 0.50000000000000 0.29375636767633 0.34028291061920 15.999 *36 O 0.00000000000000 0.29495175828375 0.17340592162560 15.999 *37 O 0.00000000000000 0.46759672149199 0.75503488933882 15.999 *38 O 0.50000000000000 0.46868831509264 0.58177817720994 15.999 *39 O 0.00000000000000 0.48877189097628 0.92659419572182 15.999 40 O 0.00000000000000 0.51122810902372 0.42659419572182 15.999 41 O 0.50000000000000 0.53131168490736 0.08177817720994 15.999 42 O 0.00000000000000 0.53240327850801 0.25503488933882 15.999 43 O 0.00000000000000 0.70504824171625 0.67340592162560 15.999 44 O 0.50000000000000 0.70624363232367 0.84028291061920 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 3.215346630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873788599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.532825199999998 Atomic positions (fractional): *1 Ca 0.00000000000000 0.84686726549021 0.85859521633241 40.078 > 1 *2 Ca 0.50000000000000 0.86814922204191 0.65149197772313 40.078 > 2 *3 Ca 0.50000000000000 0.89095943004645 0.04564790058612 40.078 > 3 4 Ca 0.50000000000000 0.10904056995354 0.54564790058612 40.078 > 4 5 Ca 0.50000000000000 0.13185077795809 0.15149197772313 40.078 > 5 6 Ca 0.00000000000000 0.15313273450979 0.35859521633241 40.078 > 6 *7 Ca 0.00000000000000 0.34028165683369 0.64379054759460 40.078 > 7 *8 Ca 0.50000000000000 0.37150903540986 0.85421861279194 40.078 > 8 *9 Ca 0.00000000000000 0.38721575832946 0.04682869762194 40.078 > 9 10 Ca 0.00000000000000 0.61278424167054 0.54682869762194 40.078 > 10 11 Ca 0.50000000000000 0.62849096459014 0.35421861279194 40.078 > 11 12 Ca 0.00000000000000 0.65971834316631 0.14379054759460 40.078 > 12 *13 In 0.00000000000000 0.87379225423584 0.45338043144212 114.818 > 13 *14 In 0.50000000000000 0.90303117636901 0.27302170194054 114.818 > 14 15 In 0.50000000000000 0.09696882363099 0.77302170194054 114.818 > 15 16 In 0.00000000000000 0.12620774576416 0.95338043144212 114.818 > 16 *17 In 0.50000000000000 0.38203723159322 0.45879010835568 114.818 > 17 *18 In 0.50000000000000 0.40071725832650 0.23426475797395 114.818 > 18 19 In 0.50000000000000 0.59928274167351 0.73426475797395 114.818 > 19 20 In 0.50000000000000 0.61796276840678 0.95879010835568 114.818 > 20 *21 O 0.00000000000000 0.75114431925757 0.99627222888770 15.999 > 21 *22 O 0.50000000000000 0.74424181927520 0.48838322296387 15.999 > 22 *23 O 0.50000000000000 0.79980158775743 0.16681191084793 15.999 > 23 *24 O 0.00000000000000 0.79143003137622 0.33295059794907 15.999 > 24 *25 O 0.00000000000000 0.96560075736951 0.74450663410922 15.999 > 25 *26 O 0.50000000000000 0.99746923124421 0.90615825468264 15.999 > 26 *27 O 0.00000000000000 0.96088980805529 0.56778439368176 15.999 > 27 28 O 0.00000000000000 0.03911019194471 0.06778439368176 15.999 > 28 29 O 0.50000000000000 0.00253076875579 0.40615825468264 15.999 > 29 30 O 0.00000000000000 0.03439924263049 0.24450663410922 15.999 > 30 31 O 0.00000000000000 0.20856996862378 0.83295059794907 15.999 > 31 32 O 0.50000000000000 0.20019841224257 0.66681191084793 15.999 > 32 33 O 0.50000000000000 0.25575818072480 0.98838322296387 15.999 > 33 34 O 0.00000000000000 0.24885568074243 0.49627222888770 15.999 > 34 *35 O 0.50000000000000 0.29375636767633 0.34028291061920 15.999 > 35 *36 O 0.00000000000000 0.29495175828375 0.17340592162560 15.999 > 36 *37 O 0.00000000000000 0.46759672149199 0.75503488933882 15.999 > 37 *38 O 0.50000000000000 0.46868831509264 0.58177817720994 15.999 > 38 *39 O 0.00000000000000 0.48877189097628 0.92659419572182 15.999 > 39 40 O 0.00000000000000 0.51122810902372 0.42659419572182 15.999 > 40 41 O 0.50000000000000 0.53131168490736 0.08177817720994 15.999 > 41 42 O 0.00000000000000 0.53240327850801 0.25503488933882 15.999 > 42 43 O 0.00000000000000 0.70504824171625 0.67340592162560 15.999 > 43 44 O 0.50000000000000 0.70624363232367 0.84028291061920 15.999 > 44 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.646039890000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873788599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.532825199999998 Atomic positions (fractional): *1 Ca 0.00000000000000 0.84686726549021 0.85859521633241 40.078 > 1 2 Ca 0.33333333333333 0.84686726549021 0.85859521633241 40.078 > 1 3 Ca 0.66666666666667 0.84686726549021 0.85859521633241 40.078 > 1 *4 Ca 0.16666666666667 0.86814922204191 0.65149197772313 40.078 > 2 5 Ca 0.50000000000000 0.86814922204191 0.65149197772313 40.078 > 2 6 Ca 0.83333333333333 0.86814922204191 0.65149197772313 40.078 > 2 *7 Ca 0.16666666666667 0.89095943004645 0.04564790058612 40.078 > 3 8 Ca 0.50000000000000 0.89095943004645 0.04564790058612 40.078 > 3 9 Ca 0.83333333333333 0.89095943004645 0.04564790058612 40.078 > 3 10 Ca 0.16666666666667 0.10904056995354 0.54564790058612 40.078 > 4 11 Ca 0.50000000000000 0.10904056995354 0.54564790058612 40.078 > 4 12 Ca 0.83333333333333 0.10904056995354 0.54564790058612 40.078 > 4 13 Ca 0.16666666666667 0.13185077795809 0.15149197772313 40.078 > 5 14 Ca 0.50000000000000 0.13185077795809 0.15149197772313 40.078 > 5 15 Ca 0.83333333333333 0.13185077795809 0.15149197772313 40.078 > 5 16 Ca 0.00000000000000 0.15313273450979 0.35859521633241 40.078 > 6 17 Ca 0.33333333333333 0.15313273450979 0.35859521633241 40.078 > 6 18 Ca 0.66666666666667 0.15313273450979 0.35859521633241 40.078 > 6 *19 Ca 0.00000000000000 0.34028165683369 0.64379054759460 40.078 > 7 20 Ca 0.33333333333333 0.34028165683369 0.64379054759460 40.078 > 7 21 Ca 0.66666666666667 0.34028165683369 0.64379054759460 40.078 > 7 *22 Ca 0.16666666666667 0.37150903540986 0.85421861279194 40.078 > 8 23 Ca 0.50000000000000 0.37150903540986 0.85421861279194 40.078 > 8 24 Ca 0.83333333333333 0.37150903540986 0.85421861279194 40.078 > 8 *25 Ca 0.00000000000000 0.38721575832946 0.04682869762194 40.078 > 9 26 Ca 0.33333333333333 0.38721575832946 0.04682869762194 40.078 > 9 27 Ca 0.66666666666667 0.38721575832946 0.04682869762194 40.078 > 9 28 Ca 0.00000000000000 0.61278424167054 0.54682869762194 40.078 > 10 29 Ca 0.33333333333333 0.61278424167054 0.54682869762194 40.078 > 10 30 Ca 0.66666666666667 0.61278424167054 0.54682869762194 40.078 > 10 31 Ca 0.16666666666667 0.62849096459014 0.35421861279194 40.078 > 11 32 Ca 0.50000000000000 0.62849096459014 0.35421861279194 40.078 > 11 33 Ca 0.83333333333333 0.62849096459014 0.35421861279194 40.078 > 11 34 Ca 0.00000000000000 0.65971834316631 0.14379054759460 40.078 > 12 35 Ca 0.33333333333333 0.65971834316631 0.14379054759460 40.078 > 12 36 Ca 0.66666666666667 0.65971834316631 0.14379054759460 40.078 > 12 *37 In 0.00000000000000 0.87379225423584 0.45338043144212 114.818 > 13 38 In 0.33333333333333 0.87379225423584 0.45338043144212 114.818 > 13 39 In 0.66666666666667 0.87379225423584 0.45338043144212 114.818 > 13 *40 In 0.16666666666667 0.90303117636901 0.27302170194054 114.818 > 14 41 In 0.50000000000000 0.90303117636901 0.27302170194054 114.818 > 14 42 In 0.83333333333333 0.90303117636901 0.27302170194054 114.818 > 14 43 In 0.16666666666667 0.09696882363099 0.77302170194054 114.818 > 15 44 In 0.50000000000000 0.09696882363099 0.77302170194054 114.818 > 15 45 In 0.83333333333333 0.09696882363099 0.77302170194054 114.818 > 15 46 In 0.00000000000000 0.12620774576416 0.95338043144212 114.818 > 16 47 In 0.33333333333333 0.12620774576416 0.95338043144212 114.818 > 16 48 In 0.66666666666667 0.12620774576416 0.95338043144212 114.818 > 16 *49 In 0.16666666666667 0.38203723159322 0.45879010835568 114.818 > 17 50 In 0.50000000000000 0.38203723159322 0.45879010835568 114.818 > 17 51 In 0.83333333333333 0.38203723159322 0.45879010835568 114.818 > 17 *52 In 0.16666666666667 0.40071725832650 0.23426475797395 114.818 > 18 53 In 0.50000000000000 0.40071725832650 0.23426475797395 114.818 > 18 54 In 0.83333333333333 0.40071725832650 0.23426475797395 114.818 > 18 55 In 0.16666666666667 0.59928274167351 0.73426475797395 114.818 > 19 56 In 0.50000000000000 0.59928274167351 0.73426475797395 114.818 > 19 57 In 0.83333333333333 0.59928274167351 0.73426475797395 114.818 > 19 58 In 0.16666666666667 0.61796276840678 0.95879010835568 114.818 > 20 59 In 0.50000000000000 0.61796276840678 0.95879010835568 114.818 > 20 60 In 0.83333333333333 0.61796276840678 0.95879010835568 114.818 > 20 *61 O 0.00000000000000 0.75114431925757 0.99627222888770 15.999 > 21 62 O 0.33333333333333 0.75114431925757 0.99627222888770 15.999 > 21 63 O 0.66666666666667 0.75114431925757 0.99627222888770 15.999 > 21 *64 O 0.16666666666667 0.74424181927520 0.48838322296387 15.999 > 22 65 O 0.50000000000000 0.74424181927520 0.48838322296387 15.999 > 22 66 O 0.83333333333333 0.74424181927520 0.48838322296387 15.999 > 22 *67 O 0.16666666666667 0.79980158775743 0.16681191084793 15.999 > 23 68 O 0.50000000000000 0.79980158775743 0.16681191084793 15.999 > 23 69 O 0.83333333333333 0.79980158775743 0.16681191084793 15.999 > 23 *70 O 0.00000000000000 0.79143003137622 0.33295059794907 15.999 > 24 71 O 0.33333333333333 0.79143003137622 0.33295059794907 15.999 > 24 72 O 0.66666666666667 0.79143003137622 0.33295059794907 15.999 > 24 *73 O 0.00000000000000 0.96560075736951 0.74450663410922 15.999 > 25 74 O 0.33333333333333 0.96560075736951 0.74450663410922 15.999 > 25 75 O 0.66666666666667 0.96560075736951 0.74450663410922 15.999 > 25 *76 O 0.16666666666667 0.99746923124421 0.90615825468264 15.999 > 26 77 O 0.50000000000000 0.99746923124421 0.90615825468264 15.999 > 26 78 O 0.83333333333333 0.99746923124421 0.90615825468264 15.999 > 26 *79 O 0.00000000000000 0.96088980805529 0.56778439368176 15.999 > 27 80 O 0.33333333333333 0.96088980805529 0.56778439368176 15.999 > 27 81 O 0.66666666666667 0.96088980805529 0.56778439368176 15.999 > 27 82 O 0.00000000000000 0.03911019194471 0.06778439368176 15.999 > 28 83 O 0.33333333333333 0.03911019194471 0.06778439368176 15.999 > 28 84 O 0.66666666666667 0.03911019194471 0.06778439368176 15.999 > 28 85 O 0.16666666666667 0.00253076875579 0.40615825468264 15.999 > 29 86 O 0.50000000000000 0.00253076875579 0.40615825468264 15.999 > 29 87 O 0.83333333333333 0.00253076875579 0.40615825468264 15.999 > 29 88 O 0.00000000000000 0.03439924263049 0.24450663410922 15.999 > 30 89 O 0.33333333333333 0.03439924263049 0.24450663410922 15.999 > 30 90 O 0.66666666666667 0.03439924263049 0.24450663410922 15.999 > 30 91 O 0.00000000000000 0.20856996862378 0.83295059794907 15.999 > 31 92 O 0.33333333333333 0.20856996862378 0.83295059794907 15.999 > 31 93 O 0.66666666666667 0.20856996862378 0.83295059794907 15.999 > 31 94 O 0.16666666666667 0.20019841224257 0.66681191084793 15.999 > 32 95 O 0.50000000000000 0.20019841224257 0.66681191084793 15.999 > 32 96 O 0.83333333333333 0.20019841224257 0.66681191084793 15.999 > 32 97 O 0.16666666666667 0.25575818072480 0.98838322296387 15.999 > 33 98 O 0.50000000000000 0.25575818072480 0.98838322296387 15.999 > 33 99 O 0.83333333333333 0.25575818072480 0.98838322296387 15.999 > 33 100 O 0.00000000000000 0.24885568074243 0.49627222888770 15.999 > 34 101 O 0.33333333333333 0.24885568074243 0.49627222888770 15.999 > 34 102 O 0.66666666666667 0.24885568074243 0.49627222888770 15.999 > 34 *103 O 0.16666666666667 0.29375636767633 0.34028291061920 15.999 > 35 104 O 0.50000000000000 0.29375636767633 0.34028291061920 15.999 > 35 105 O 0.83333333333333 0.29375636767633 0.34028291061920 15.999 > 35 *106 O 0.00000000000000 0.29495175828375 0.17340592162560 15.999 > 36 107 O 0.33333333333333 0.29495175828375 0.17340592162560 15.999 > 36 108 O 0.66666666666667 0.29495175828375 0.17340592162560 15.999 > 36 *109 O 0.00000000000000 0.46759672149199 0.75503488933882 15.999 > 37 110 O 0.33333333333333 0.46759672149199 0.75503488933882 15.999 > 37 111 O 0.66666666666667 0.46759672149199 0.75503488933882 15.999 > 37 *112 O 0.16666666666667 0.46868831509264 0.58177817720994 15.999 > 38 113 O 0.50000000000000 0.46868831509264 0.58177817720994 15.999 > 38 114 O 0.83333333333333 0.46868831509264 0.58177817720994 15.999 > 38 *115 O 0.00000000000000 0.48877189097628 0.92659419572182 15.999 > 39 116 O 0.33333333333333 0.48877189097628 0.92659419572182 15.999 > 39 117 O 0.66666666666667 0.48877189097628 0.92659419572182 15.999 > 39 118 O 0.00000000000000 0.51122810902372 0.42659419572182 15.999 > 40 119 O 0.33333333333333 0.51122810902372 0.42659419572182 15.999 > 40 120 O 0.66666666666667 0.51122810902372 0.42659419572182 15.999 > 40 121 O 0.16666666666667 0.53131168490736 0.08177817720994 15.999 > 41 122 O 0.50000000000000 0.53131168490736 0.08177817720994 15.999 > 41 123 O 0.83333333333333 0.53131168490736 0.08177817720994 15.999 > 41 124 O 0.00000000000000 0.53240327850801 0.25503488933882 15.999 > 42 125 O 0.33333333333333 0.53240327850801 0.25503488933882 15.999 > 42 126 O 0.66666666666667 0.53240327850801 0.25503488933882 15.999 > 42 127 O 0.00000000000000 0.70504824171625 0.67340592162560 15.999 > 43 128 O 0.33333333333333 0.70504824171625 0.67340592162560 15.999 > 43 129 O 0.66666666666667 0.70504824171625 0.67340592162560 15.999 > 43 130 O 0.16666666666667 0.70624363232367 0.84028291061920 15.999 > 44 131 O 0.50000000000000 0.70624363232367 0.84028291061920 15.999 > 44 132 O 0.83333333333333 0.70624363232367 0.84028291061920 15.999 > 44 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4567855 0.0000000 0.0000000 0.0000000 4.2447103 0.0000000 0.0000000 0.0000000 4.2838762 -------------------------- Born effective charges -------------------------- 1 Ca 2.2993616 0.0000000 0.0000000 0.0000000 2.9227843 -0.1796348 0.0000000 -0.0185070 2.0054548 2 Ca 2.6850843 0.0000000 0.0000000 0.0000000 2.4558956 0.0066634 0.0000000 -0.1635727 2.5452287 3 Ca 2.3600534 0.0000000 0.0000000 0.0000000 2.6752342 -0.0321612 0.0000000 -0.2484010 2.3514115 4 Ca 2.3600534 0.0000000 0.0000000 0.0000000 2.6752342 0.0321612 0.0000000 0.2484010 2.3514115 5 Ca 2.6850843 0.0000000 0.0000000 0.0000000 2.4558956 -0.0066634 0.0000000 0.1635727 2.5452287 6 Ca 2.2993616 0.0000000 0.0000000 0.0000000 2.9227843 0.1796348 0.0000000 0.0185070 2.0054548 7 Ca 2.3204533 0.0000000 0.0000000 0.0000000 2.5416950 -0.0512856 0.0000000 -0.3054583 2.1749354 8 Ca 2.5680854 0.0000000 0.0000000 0.0000000 2.7141004 -0.0455108 0.0000000 0.0261695 2.3621733 9 Ca 2.3039024 0.0000000 0.0000000 0.0000000 2.4876363 0.1385365 0.0000000 0.0636384 2.2977698 10 Ca 2.3039024 0.0000000 0.0000000 0.0000000 2.4876363 -0.1385365 0.0000000 -0.0636384 2.2977698 11 Ca 2.5680854 0.0000000 0.0000000 0.0000000 2.7141004 0.0455108 0.0000000 -0.0261695 2.3621733 12 Ca 2.3204533 0.0000000 0.0000000 0.0000000 2.5416950 0.0512856 0.0000000 0.3054583 2.1749354 13 In 3.4022341 0.0000000 0.0000000 0.0000000 2.8191135 -0.0466275 0.0000000 0.0052078 2.9656369 14 In 3.4880199 0.0000000 0.0000000 0.0000000 2.6999709 0.1684031 0.0000000 0.1308731 3.2040870 15 In 3.4880199 0.0000000 0.0000000 0.0000000 2.6999709 -0.1684031 0.0000000 -0.1308731 3.2040870 16 In 3.4022341 0.0000000 0.0000000 0.0000000 2.8191135 0.0466275 0.0000000 -0.0052078 2.9656369 17 In 3.4533668 0.0000000 0.0000000 0.0000000 2.8963887 0.2091536 0.0000000 0.3367847 3.1620383 18 In 3.5586949 0.0000000 0.0000000 0.0000000 2.6834248 -0.2350140 0.0000000 -0.3297873 3.1331018 19 In 3.5586949 0.0000000 0.0000000 0.0000000 2.6834248 0.2350140 0.0000000 0.3297873 3.1331018 20 In 3.4533668 0.0000000 0.0000000 0.0000000 2.8963887 -0.2091536 0.0000000 -0.3367847 3.1620383 21 O -2.5273321 0.0000000 0.0000000 0.0000000 -2.4332923 -0.1425304 0.0000000 -0.0924657 -2.0518474 22 O -2.5107523 0.0000000 0.0000000 0.0000000 -2.3950481 0.3032659 0.0000000 0.2431987 -1.9477707 23 O -1.9339497 0.0000000 0.0000000 0.0000000 -2.2446564 -0.2520446 0.0000000 -0.2939554 -2.5747463 24 O -2.4251876 0.0000000 0.0000000 0.0000000 -2.1738326 0.1471138 0.0000000 0.1413215 -2.0938283 25 O -2.5564876 0.0000000 0.0000000 0.0000000 -2.1639070 -0.1388657 0.0000000 -0.1980528 -2.0752557 26 O -2.3960580 0.0000000 0.0000000 0.0000000 -2.3379135 -0.0646075 0.0000000 -0.0300330 -2.1943089 27 O -2.3564633 0.0000000 0.0000000 0.0000000 -2.1850310 0.0270201 0.0000000 0.0866655 -2.2289815 28 O -2.3564633 0.0000000 0.0000000 0.0000000 -2.1850310 -0.0270201 0.0000000 -0.0866655 -2.2289815 29 O -2.3960580 0.0000000 0.0000000 0.0000000 -2.3379135 0.0646075 0.0000000 0.0300330 -2.1943089 30 O -2.5564876 0.0000000 0.0000000 0.0000000 -2.1639070 0.1388657 0.0000000 0.1980528 -2.0752557 31 O -2.4251876 0.0000000 0.0000000 0.0000000 -2.1738326 -0.1471138 0.0000000 -0.1413215 -2.0938283 32 O -1.9339497 0.0000000 0.0000000 0.0000000 -2.2446564 0.2520446 0.0000000 0.2939554 -2.5747463 33 O -2.5107523 0.0000000 0.0000000 0.0000000 -2.3950481 -0.3032659 0.0000000 -0.2431987 -1.9477707 34 O -2.5273321 0.0000000 0.0000000 0.0000000 -2.4332923 0.1425304 0.0000000 0.0924657 -2.0518474 35 O -1.8845082 0.0000000 0.0000000 0.0000000 -2.2356767 0.1331818 0.0000000 0.1917335 -2.5037907 36 O -2.5439407 0.0000000 0.0000000 0.0000000 -2.1991562 -0.1851918 0.0000000 -0.1716578 -2.1157344 37 O -2.4882026 0.0000000 0.0000000 0.0000000 -2.0626374 0.0199726 0.0000000 0.1528386 -1.9833107 38 O -2.2236211 0.0000000 0.0000000 0.0000000 -2.2802333 -0.0462642 0.0000000 -0.0808149 -2.4251643 39 O -2.5927528 0.0000000 0.0000000 0.0000000 -2.1848594 -0.1441421 0.0000000 -0.2633835 -2.0070985 40 O -2.5927528 0.0000000 0.0000000 0.0000000 -2.1848594 0.1441421 0.0000000 0.2633835 -2.0070985 41 O -2.2236211 0.0000000 0.0000000 0.0000000 -2.2802333 0.0462642 0.0000000 0.0808149 -2.4251643 42 O -2.4882026 0.0000000 0.0000000 0.0000000 -2.0626374 -0.0199726 0.0000000 -0.1528386 -1.9833107 43 O -2.5439407 0.0000000 0.0000000 0.0000000 -2.1991562 0.1851918 0.0000000 0.1716578 -2.1157344 44 O -1.8845082 0.0000000 0.0000000 0.0000000 -2.2356767 -0.1331818 0.0000000 -0.1917335 -2.5037907 ---------------------------------------------------------------------------- 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: 396/396 Permutation basis: 26466/26466 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6908 Number of blocks in projector: 6908 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: 1936 Use submatrix version of eigh solver. (1) Block: 500 / 1936 (2) Block: 250 / 500 (2) 206 eigenvectors found. (2) Block: 500 / 500 (2) 212 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 1000 / 1936 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 209 eigenvectors found. (2) Complementary block size: 73 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 1500 / 1936 (2) Block: 250 / 500 (2) 206 eigenvectors found. (2) Block: 500 / 500 (2) 212 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 1936 / 1936 (1) 399 eigenvectors found. (1) Complementary block size: 169 (1) Compute compressed projector. (1) Use standard solver. (1) 125 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1012 Use submatrix version of eigh solver. (1) Block: 500 / 1012 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1012 / 1012 (2) Block: 250 / 512 (2) 228 eigenvectors found. (2) Block: 512 / 512 (2) 240 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 490 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1012 Use submatrix version of eigh solver. (1) Block: 500 / 1012 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1012 / 1012 (2) Block: 250 / 512 (2) 228 eigenvectors found. (2) Block: 512 / 512 (2) 240 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 490 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1012 Use submatrix version of eigh solver. (1) Block: 500 / 1012 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1012 / 1012 (2) Block: 250 / 512 (2) 228 eigenvectors found. (2) Block: 512 / 512 (2) 240 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 490 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 968 / 968 (1) 468 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 968 / 968 (1) 468 eigenvectors found. Tree of FC basis block matrices: - (6908, 6798), data: False |-- (968, 968), data: False |-- (468, 468), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (968, 968), data: False |-- (468, 468), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (1012, 990), data: False |-- (1012, 22), data: (1012, 44) @ (44, 22) |-- (512, 490), data: False |-- (512, 22), data: (512, 44) @ (44, 22) |-- (262, 240), data: True |-- (250, 228), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 234), data: True |-- (250, 228), data: True |-- (1012, 990), data: False |-- (1012, 22), data: (1012, 44) @ (44, 22) |-- (512, 490), data: False |-- (512, 22), data: (512, 44) @ (44, 22) |-- (262, 240), data: True |-- (250, 228), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 234), data: True |-- (250, 228), data: True |-- (1012, 990), data: False |-- (1012, 22), data: (1012, 44) @ (44, 22) |-- (512, 490), data: False |-- (512, 22), data: (512, 44) @ (44, 22) |-- (262, 240), data: True |-- (250, 228), data: True |-- (500, 478), data: False |-- (500, 17), data: (500, 39) @ (39, 17) |-- (250, 233), data: True |-- (250, 228), data: True |-- (1936, 1892), data: False |-- (1936, 125), data: (1936, 169) @ (169, 125) |-- (436, 399), data: True |-- (500, 456), data: False |-- (500, 38), data: (500, 82) @ (82, 38) |-- (250, 212), data: True |-- (250, 206), data: True |-- (500, 456), data: False |-- (500, 29), data: (500, 73) @ (73, 29) |-- (250, 209), data: True |-- (250, 218), data: True |-- (500, 456), data: False |-- (500, 38), data: (500, 82) @ (82, 38) |-- (250, 212), data: True |-- (250, 206), data: True ----- Solver_atoms: 1 -- 132 / 132 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1360 - Time: 1.961 Solver_block: 200 / 1360 - Time: 1.721 Solver_block: 300 / 1360 - Time: 1.715 Solver_block: 400 / 1360 - Time: 1.717 Solver_block: 500 / 1360 - Time: 1.719 Solver_block: 600 / 1360 - Time: 1.714 Solver_block: 700 / 1360 - Time: 1.714 Solver_block: 800 / 1360 - Time: 1.714 Solver_block: 900 / 1360 - Time: 1.714 Solver_block: 1000 / 1360 - Time: 1.714 Solver_block: 1100 / 1360 - Time: 1.714 Solver_block: 1200 / 1360 - Time: 1.712 Solver_block: 1300 / 1360 - Time: 1.715 Solver_block: 1360 / 1360 - Time: 1.163 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.500 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 396/396 Permutation basis: 26466/26466 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6908 Number of blocks in projector: 6908 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: 1936 Use submatrix version of eigh solver. (1) Block: 500 / 1936 (2) Block: 250 / 500 (2) 206 eigenvectors found. (2) Block: 500 / 500 (2) 212 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 1000 / 1936 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 209 eigenvectors found. (2) Complementary block size: 73 (2) Compute compressed projector. (2) Use standard solver. (2) 29 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 1500 / 1936 (2) Block: 250 / 500 (2) 206 eigenvectors found. (2) Block: 500 / 500 (2) 212 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 456 eigenvectors found. (1) Block: 1936 / 1936 (1) 399 eigenvectors found. (1) Complementary block size: 169 (1) Compute compressed projector. (1) Use standard solver. (1) 125 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1012 Use submatrix version of eigh solver. (1) Block: 500 / 1012 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1012 / 1012 (2) Block: 250 / 512 (2) 228 eigenvectors found. (2) Block: 512 / 512 (2) 240 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 490 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1012 Use submatrix version of eigh solver. (1) Block: 500 / 1012 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1012 / 1012 (2) Block: 250 / 512 (2) 228 eigenvectors found. (2) Block: 512 / 512 (2) 240 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 490 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1012 Use submatrix version of eigh solver. (1) Block: 500 / 1012 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1012 / 1012 (2) Block: 250 / 512 (2) 228 eigenvectors found. (2) Block: 512 / 512 (2) 240 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 490 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 22 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 968 / 968 (1) 468 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 968 Use submatrix version of eigh solver. (1) Block: 500 / 968 (2) Block: 250 / 500 (2) 250 eigenvectors found. (2) Block: 500 / 500 (2) 250 eigenvectors found. (1) 500 eigenvectors found. (1) Block: 968 / 968 (1) 468 eigenvectors found. Tree of FC basis block matrices: - (6908, 6798), data: False |-- (968, 968), data: False |-- (468, 468), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (968, 968), data: False |-- (468, 468), data: True |-- (500, 500), data: False |-- (250, 250), data: True |-- (250, 250), data: True |-- (1012, 990), data: False |-- (1012, 22), data: (1012, 44) @ (44, 22) |-- (512, 490), data: False |-- (512, 22), data: (512, 44) @ (44, 22) |-- (262, 240), data: True |-- (250, 228), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 234), data: True |-- (250, 228), data: True |-- (1012, 990), data: False |-- (1012, 22), data: (1012, 44) @ (44, 22) |-- (512, 490), data: False |-- (512, 22), data: (512, 44) @ (44, 22) |-- (262, 240), data: True |-- (250, 228), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 234), data: True |-- (250, 228), data: True |-- (1012, 990), data: False |-- (1012, 22), data: (1012, 44) @ (44, 22) |-- (512, 490), data: False |-- (512, 22), data: (512, 44) @ (44, 22) |-- (262, 240), data: True |-- (250, 228), data: True |-- (500, 478), data: False |-- (500, 17), data: (500, 39) @ (39, 17) |-- (250, 233), data: True |-- (250, 228), data: True |-- (1936, 1892), data: False |-- (1936, 125), data: (1936, 169) @ (169, 125) |-- (436, 399), data: True |-- (500, 456), data: False |-- (500, 38), data: (500, 82) @ (82, 38) |-- (250, 212), data: True |-- (250, 206), data: True |-- (500, 456), data: False |-- (500, 29), data: (500, 73) @ (73, 29) |-- (250, 209), data: True |-- (250, 218), data: True |-- (500, 456), data: False |-- (500, 38), data: (500, 82) @ (82, 38) |-- (250, 212), data: True |-- (250, 206), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 2026-01-09 00:08:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:08:21]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.215346630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873788599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.532825199999998 Atomic positions (fractional): 1 Ca 0.00000000000000 0.84686726549021 0.85859521633241 40.078 2 Ca 0.50000000000000 0.86814922204191 0.65149197772313 40.078 3 Ca 0.50000000000000 0.89095943004645 0.04564790058612 40.078 4 Ca 0.50000000000000 0.10904056995354 0.54564790058612 40.078 5 Ca 0.50000000000000 0.13185077795809 0.15149197772313 40.078 6 Ca 0.00000000000000 0.15313273450979 0.35859521633241 40.078 7 Ca 0.00000000000000 0.34028165683369 0.64379054759460 40.078 8 Ca 0.50000000000000 0.37150903540986 0.85421861279194 40.078 9 Ca 0.00000000000000 0.38721575832946 0.04682869762194 40.078 10 Ca 0.00000000000000 0.61278424167054 0.54682869762194 40.078 11 Ca 0.50000000000000 0.62849096459014 0.35421861279194 40.078 12 Ca 0.00000000000000 0.65971834316631 0.14379054759460 40.078 13 In 0.00000000000000 0.87379225423584 0.45338043144212 114.818 14 In 0.50000000000000 0.90303117636901 0.27302170194054 114.818 15 In 0.50000000000000 0.09696882363099 0.77302170194054 114.818 16 In 0.00000000000000 0.12620774576416 0.95338043144212 114.818 17 In 0.50000000000000 0.38203723159322 0.45879010835568 114.818 18 In 0.50000000000000 0.40071725832650 0.23426475797395 114.818 19 In 0.50000000000000 0.59928274167351 0.73426475797395 114.818 20 In 0.50000000000000 0.61796276840678 0.95879010835568 114.818 21 O 0.00000000000000 0.75114431925757 0.99627222888770 15.999 22 O 0.50000000000000 0.74424181927520 0.48838322296387 15.999 23 O 0.50000000000000 0.79980158775743 0.16681191084793 15.999 24 O 0.00000000000000 0.79143003137622 0.33295059794907 15.999 25 O 0.00000000000000 0.96560075736951 0.74450663410922 15.999 26 O 0.50000000000000 0.99746923124421 0.90615825468264 15.999 27 O 0.00000000000000 0.96088980805529 0.56778439368176 15.999 28 O 0.00000000000000 0.03911019194471 0.06778439368176 15.999 29 O 0.50000000000000 0.00253076875579 0.40615825468264 15.999 30 O 0.00000000000000 0.03439924263049 0.24450663410922 15.999 31 O 0.00000000000000 0.20856996862378 0.83295059794907 15.999 32 O 0.50000000000000 0.20019841224257 0.66681191084793 15.999 33 O 0.50000000000000 0.25575818072480 0.98838322296387 15.999 34 O 0.00000000000000 0.24885568074243 0.49627222888770 15.999 35 O 0.50000000000000 0.29375636767633 0.34028291061920 15.999 36 O 0.00000000000000 0.29495175828375 0.17340592162560 15.999 37 O 0.00000000000000 0.46759672149199 0.75503488933882 15.999 38 O 0.50000000000000 0.46868831509264 0.58177817720994 15.999 39 O 0.00000000000000 0.48877189097628 0.92659419572182 15.999 40 O 0.00000000000000 0.51122810902372 0.42659419572182 15.999 41 O 0.50000000000000 0.53131168490736 0.08177817720994 15.999 42 O 0.00000000000000 0.53240327850801 0.25503488933882 15.999 43 O 0.00000000000000 0.70504824171625 0.67340592162560 15.999 44 O 0.50000000000000 0.70624363232367 0.84028291061920 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.646039890000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873788599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.532825199999998 Atomic positions (fractional): 1 Ca 0.00000000000000 0.84686726549021 0.85859521633241 40.078 > 1 2 Ca 0.33333333333333 0.84686726549021 0.85859521633241 40.078 > 1 3 Ca 0.66666666666667 0.84686726549021 0.85859521633241 40.078 > 1 4 Ca 0.16666666666667 0.86814922204191 0.65149197772313 40.078 > 4 5 Ca 0.50000000000000 0.86814922204191 0.65149197772313 40.078 > 4 6 Ca 0.83333333333333 0.86814922204191 0.65149197772313 40.078 > 4 7 Ca 0.16666666666667 0.89095943004645 0.04564790058612 40.078 > 7 8 Ca 0.50000000000000 0.89095943004645 0.04564790058612 40.078 > 7 9 Ca 0.83333333333333 0.89095943004645 0.04564790058612 40.078 > 7 10 Ca 0.16666666666667 0.10904056995354 0.54564790058612 40.078 > 10 11 Ca 0.50000000000000 0.10904056995354 0.54564790058612 40.078 > 10 12 Ca 0.83333333333333 0.10904056995354 0.54564790058612 40.078 > 10 13 Ca 0.16666666666667 0.13185077795809 0.15149197772313 40.078 > 13 14 Ca 0.50000000000000 0.13185077795809 0.15149197772313 40.078 > 13 15 Ca 0.83333333333333 0.13185077795809 0.15149197772313 40.078 > 13 16 Ca 0.00000000000000 0.15313273450979 0.35859521633241 40.078 > 16 17 Ca 0.33333333333333 0.15313273450979 0.35859521633241 40.078 > 16 18 Ca 0.66666666666667 0.15313273450979 0.35859521633241 40.078 > 16 19 Ca 0.00000000000000 0.34028165683369 0.64379054759460 40.078 > 19 20 Ca 0.33333333333333 0.34028165683369 0.64379054759460 40.078 > 19 21 Ca 0.66666666666667 0.34028165683369 0.64379054759460 40.078 > 19 22 Ca 0.16666666666667 0.37150903540986 0.85421861279194 40.078 > 22 23 Ca 0.50000000000000 0.37150903540986 0.85421861279194 40.078 > 22 24 Ca 0.83333333333333 0.37150903540986 0.85421861279194 40.078 > 22 25 Ca 0.00000000000000 0.38721575832946 0.04682869762194 40.078 > 25 26 Ca 0.33333333333333 0.38721575832946 0.04682869762194 40.078 > 25 27 Ca 0.66666666666667 0.38721575832946 0.04682869762194 40.078 > 25 28 Ca 0.00000000000000 0.61278424167054 0.54682869762194 40.078 > 28 29 Ca 0.33333333333333 0.61278424167054 0.54682869762194 40.078 > 28 30 Ca 0.66666666666667 0.61278424167054 0.54682869762194 40.078 > 28 31 Ca 0.16666666666667 0.62849096459014 0.35421861279194 40.078 > 31 32 Ca 0.50000000000000 0.62849096459014 0.35421861279194 40.078 > 31 33 Ca 0.83333333333333 0.62849096459014 0.35421861279194 40.078 > 31 34 Ca 0.00000000000000 0.65971834316631 0.14379054759460 40.078 > 34 35 Ca 0.33333333333333 0.65971834316631 0.14379054759460 40.078 > 34 36 Ca 0.66666666666667 0.65971834316631 0.14379054759460 40.078 > 34 37 In 0.00000000000000 0.87379225423584 0.45338043144212 114.818 > 37 38 In 0.33333333333333 0.87379225423584 0.45338043144212 114.818 > 37 39 In 0.66666666666667 0.87379225423584 0.45338043144212 114.818 > 37 40 In 0.16666666666667 0.90303117636901 0.27302170194054 114.818 > 40 41 In 0.50000000000000 0.90303117636901 0.27302170194054 114.818 > 40 42 In 0.83333333333333 0.90303117636901 0.27302170194054 114.818 > 40 43 In 0.16666666666667 0.09696882363099 0.77302170194054 114.818 > 43 44 In 0.50000000000000 0.09696882363099 0.77302170194054 114.818 > 43 45 In 0.83333333333333 0.09696882363099 0.77302170194054 114.818 > 43 46 In 0.00000000000000 0.12620774576416 0.95338043144212 114.818 > 46 47 In 0.33333333333333 0.12620774576416 0.95338043144212 114.818 > 46 48 In 0.66666666666667 0.12620774576416 0.95338043144212 114.818 > 46 49 In 0.16666666666667 0.38203723159322 0.45879010835568 114.818 > 49 50 In 0.50000000000000 0.38203723159322 0.45879010835568 114.818 > 49 51 In 0.83333333333333 0.38203723159322 0.45879010835568 114.818 > 49 52 In 0.16666666666667 0.40071725832650 0.23426475797395 114.818 > 52 53 In 0.50000000000000 0.40071725832650 0.23426475797395 114.818 > 52 54 In 0.83333333333333 0.40071725832650 0.23426475797395 114.818 > 52 55 In 0.16666666666667 0.59928274167351 0.73426475797395 114.818 > 55 56 In 0.50000000000000 0.59928274167351 0.73426475797395 114.818 > 55 57 In 0.83333333333333 0.59928274167351 0.73426475797395 114.818 > 55 58 In 0.16666666666667 0.61796276840678 0.95879010835568 114.818 > 58 59 In 0.50000000000000 0.61796276840678 0.95879010835568 114.818 > 58 60 In 0.83333333333333 0.61796276840678 0.95879010835568 114.818 > 58 61 O 0.00000000000000 0.75114431925757 0.99627222888770 15.999 > 61 62 O 0.33333333333333 0.75114431925757 0.99627222888770 15.999 > 61 63 O 0.66666666666667 0.75114431925757 0.99627222888770 15.999 > 61 64 O 0.16666666666667 0.74424181927520 0.48838322296387 15.999 > 64 65 O 0.50000000000000 0.74424181927520 0.48838322296387 15.999 > 64 66 O 0.83333333333333 0.74424181927520 0.48838322296387 15.999 > 64 67 O 0.16666666666667 0.79980158775743 0.16681191084793 15.999 > 67 68 O 0.50000000000000 0.79980158775743 0.16681191084793 15.999 > 67 69 O 0.83333333333333 0.79980158775743 0.16681191084793 15.999 > 67 70 O 0.00000000000000 0.79143003137622 0.33295059794907 15.999 > 70 71 O 0.33333333333333 0.79143003137622 0.33295059794907 15.999 > 70 72 O 0.66666666666667 0.79143003137622 0.33295059794907 15.999 > 70 73 O 0.00000000000000 0.96560075736951 0.74450663410922 15.999 > 73 74 O 0.33333333333333 0.96560075736951 0.74450663410922 15.999 > 73 75 O 0.66666666666667 0.96560075736951 0.74450663410922 15.999 > 73 76 O 0.16666666666667 0.99746923124421 0.90615825468264 15.999 > 76 77 O 0.50000000000000 0.99746923124421 0.90615825468264 15.999 > 76 78 O 0.83333333333333 0.99746923124421 0.90615825468264 15.999 > 76 79 O 0.00000000000000 0.96088980805529 0.56778439368176 15.999 > 79 80 O 0.33333333333333 0.96088980805529 0.56778439368176 15.999 > 79 81 O 0.66666666666667 0.96088980805529 0.56778439368176 15.999 > 79 82 O 0.00000000000000 0.03911019194471 0.06778439368176 15.999 > 82 83 O 0.33333333333333 0.03911019194471 0.06778439368176 15.999 > 82 84 O 0.66666666666667 0.03911019194471 0.06778439368176 15.999 > 82 85 O 0.16666666666667 0.00253076875579 0.40615825468264 15.999 > 85 86 O 0.50000000000000 0.00253076875579 0.40615825468264 15.999 > 85 87 O 0.83333333333333 0.00253076875579 0.40615825468264 15.999 > 85 88 O 0.00000000000000 0.03439924263049 0.24450663410922 15.999 > 88 89 O 0.33333333333333 0.03439924263049 0.24450663410922 15.999 > 88 90 O 0.66666666666667 0.03439924263049 0.24450663410922 15.999 > 88 91 O 0.00000000000000 0.20856996862378 0.83295059794907 15.999 > 91 92 O 0.33333333333333 0.20856996862378 0.83295059794907 15.999 > 91 93 O 0.66666666666667 0.20856996862378 0.83295059794907 15.999 > 91 94 O 0.16666666666667 0.20019841224257 0.66681191084793 15.999 > 94 95 O 0.50000000000000 0.20019841224257 0.66681191084793 15.999 > 94 96 O 0.83333333333333 0.20019841224257 0.66681191084793 15.999 > 94 97 O 0.16666666666667 0.25575818072480 0.98838322296387 15.999 > 97 98 O 0.50000000000000 0.25575818072480 0.98838322296387 15.999 > 97 99 O 0.83333333333333 0.25575818072480 0.98838322296387 15.999 > 97 100 O 0.00000000000000 0.24885568074243 0.49627222888770 15.999 > 100 101 O 0.33333333333333 0.24885568074243 0.49627222888770 15.999 > 100 102 O 0.66666666666667 0.24885568074243 0.49627222888770 15.999 > 100 103 O 0.16666666666667 0.29375636767633 0.34028291061920 15.999 > 103 104 O 0.50000000000000 0.29375636767633 0.34028291061920 15.999 > 103 105 O 0.83333333333333 0.29375636767633 0.34028291061920 15.999 > 103 106 O 0.00000000000000 0.29495175828375 0.17340592162560 15.999 > 106 107 O 0.33333333333333 0.29495175828375 0.17340592162560 15.999 > 106 108 O 0.66666666666667 0.29495175828375 0.17340592162560 15.999 > 106 109 O 0.00000000000000 0.46759672149199 0.75503488933882 15.999 > 109 110 O 0.33333333333333 0.46759672149199 0.75503488933882 15.999 > 109 111 O 0.66666666666667 0.46759672149199 0.75503488933882 15.999 > 109 112 O 0.16666666666667 0.46868831509264 0.58177817720994 15.999 > 112 113 O 0.50000000000000 0.46868831509264 0.58177817720994 15.999 > 112 114 O 0.83333333333333 0.46868831509264 0.58177817720994 15.999 > 112 115 O 0.00000000000000 0.48877189097628 0.92659419572182 15.999 > 115 116 O 0.33333333333333 0.48877189097628 0.92659419572182 15.999 > 115 117 O 0.66666666666667 0.48877189097628 0.92659419572182 15.999 > 115 118 O 0.00000000000000 0.51122810902372 0.42659419572182 15.999 > 118 119 O 0.33333333333333 0.51122810902372 0.42659419572182 15.999 > 118 120 O 0.66666666666667 0.51122810902372 0.42659419572182 15.999 > 118 121 O 0.16666666666667 0.53131168490736 0.08177817720994 15.999 > 121 122 O 0.50000000000000 0.53131168490736 0.08177817720994 15.999 > 121 123 O 0.83333333333333 0.53131168490736 0.08177817720994 15.999 > 121 124 O 0.00000000000000 0.53240327850801 0.25503488933882 15.999 > 124 125 O 0.33333333333333 0.53240327850801 0.25503488933882 15.999 > 124 126 O 0.66666666666667 0.53240327850801 0.25503488933882 15.999 > 124 127 O 0.00000000000000 0.70504824171625 0.67340592162560 15.999 > 127 128 O 0.33333333333333 0.70504824171625 0.67340592162560 15.999 > 127 129 O 0.66666666666667 0.70504824171625 0.67340592162560 15.999 > 127 130 O 0.16666666666667 0.70624363232367 0.84028291061920 15.999 > 130 131 O 0.50000000000000 0.70624363232367 0.84028291061920 15.999 > 130 132 O 0.83333333333333 0.70624363232367 0.84028291061920 15.999 > 130 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.4567855 0.0000000 0.0000000 0.0000000 4.2447103 0.0000000 0.0000000 0.0000000 4.2838762 -------------------------- Born effective charges -------------------------- 1 Ca 2.2993616 0.0000000 0.0000000 0.0000000 2.9227843 -0.1796348 0.0000000 -0.0185070 2.0054548 2 Ca 2.6850843 0.0000000 0.0000000 0.0000000 2.4558956 0.0066634 0.0000000 -0.1635727 2.5452287 3 Ca 2.3600534 0.0000000 0.0000000 0.0000000 2.6752342 -0.0321612 0.0000000 -0.2484010 2.3514115 4 Ca 2.3600534 0.0000000 0.0000000 0.0000000 2.6752342 0.0321612 0.0000000 0.2484010 2.3514115 5 Ca 2.6850843 0.0000000 0.0000000 0.0000000 2.4558956 -0.0066634 0.0000000 0.1635727 2.5452287 6 Ca 2.2993616 0.0000000 0.0000000 0.0000000 2.9227843 0.1796348 0.0000000 0.0185070 2.0054548 7 Ca 2.3204533 0.0000000 0.0000000 0.0000000 2.5416950 -0.0512856 0.0000000 -0.3054583 2.1749354 8 Ca 2.5680854 0.0000000 0.0000000 0.0000000 2.7141004 -0.0455108 0.0000000 0.0261695 2.3621733 9 Ca 2.3039024 0.0000000 0.0000000 0.0000000 2.4876363 0.1385365 0.0000000 0.0636384 2.2977698 10 Ca 2.3039024 0.0000000 0.0000000 0.0000000 2.4876363 -0.1385365 0.0000000 -0.0636384 2.2977698 11 Ca 2.5680854 0.0000000 0.0000000 0.0000000 2.7141004 0.0455108 0.0000000 -0.0261695 2.3621733 12 Ca 2.3204533 0.0000000 0.0000000 0.0000000 2.5416950 0.0512856 0.0000000 0.3054583 2.1749354 13 In 3.4022341 0.0000000 0.0000000 0.0000000 2.8191135 -0.0466275 0.0000000 0.0052078 2.9656369 14 In 3.4880199 0.0000000 0.0000000 0.0000000 2.6999709 0.1684031 0.0000000 0.1308731 3.2040870 15 In 3.4880199 0.0000000 0.0000000 0.0000000 2.6999709 -0.1684031 0.0000000 -0.1308731 3.2040870 16 In 3.4022341 0.0000000 0.0000000 0.0000000 2.8191135 0.0466275 0.0000000 -0.0052078 2.9656369 17 In 3.4533668 0.0000000 0.0000000 0.0000000 2.8963887 0.2091536 0.0000000 0.3367847 3.1620383 18 In 3.5586949 0.0000000 0.0000000 0.0000000 2.6834248 -0.2350140 0.0000000 -0.3297873 3.1331018 19 In 3.5586949 0.0000000 0.0000000 0.0000000 2.6834248 0.2350140 0.0000000 0.3297873 3.1331018 20 In 3.4533668 0.0000000 0.0000000 0.0000000 2.8963887 -0.2091536 0.0000000 -0.3367847 3.1620383 21 O -2.5273321 0.0000000 0.0000000 0.0000000 -2.4332923 -0.1425304 0.0000000 -0.0924657 -2.0518474 22 O -2.5107523 0.0000000 0.0000000 0.0000000 -2.3950481 0.3032659 0.0000000 0.2431987 -1.9477707 23 O -1.9339497 0.0000000 0.0000000 0.0000000 -2.2446564 -0.2520446 0.0000000 -0.2939554 -2.5747463 24 O -2.4251876 0.0000000 0.0000000 0.0000000 -2.1738326 0.1471138 0.0000000 0.1413215 -2.0938283 25 O -2.5564876 0.0000000 0.0000000 0.0000000 -2.1639070 -0.1388657 0.0000000 -0.1980528 -2.0752557 26 O -2.3960580 0.0000000 0.0000000 0.0000000 -2.3379135 -0.0646075 0.0000000 -0.0300330 -2.1943089 27 O -2.3564633 0.0000000 0.0000000 0.0000000 -2.1850310 0.0270201 0.0000000 0.0866655 -2.2289815 28 O -2.3564633 0.0000000 0.0000000 0.0000000 -2.1850310 -0.0270201 0.0000000 -0.0866655 -2.2289815 29 O -2.3960580 0.0000000 0.0000000 0.0000000 -2.3379135 0.0646075 0.0000000 0.0300330 -2.1943089 30 O -2.5564876 0.0000000 0.0000000 0.0000000 -2.1639070 0.1388657 0.0000000 0.1980528 -2.0752557 31 O -2.4251876 0.0000000 0.0000000 0.0000000 -2.1738326 -0.1471138 0.0000000 -0.1413215 -2.0938283 32 O -1.9339497 0.0000000 0.0000000 0.0000000 -2.2446564 0.2520446 0.0000000 0.2939554 -2.5747463 33 O -2.5107523 0.0000000 0.0000000 0.0000000 -2.3950481 -0.3032659 0.0000000 -0.2431987 -1.9477707 34 O -2.5273321 0.0000000 0.0000000 0.0000000 -2.4332923 0.1425304 0.0000000 0.0924657 -2.0518474 35 O -1.8845082 0.0000000 0.0000000 0.0000000 -2.2356767 0.1331818 0.0000000 0.1917335 -2.5037907 36 O -2.5439407 0.0000000 0.0000000 0.0000000 -2.1991562 -0.1851918 0.0000000 -0.1716578 -2.1157344 37 O -2.4882026 0.0000000 0.0000000 0.0000000 -2.0626374 0.0199726 0.0000000 0.1528386 -1.9833107 38 O -2.2236211 0.0000000 0.0000000 0.0000000 -2.2802333 -0.0462642 0.0000000 -0.0808149 -2.4251643 39 O -2.5927528 0.0000000 0.0000000 0.0000000 -2.1848594 -0.1441421 0.0000000 -0.2633835 -2.0070985 40 O -2.5927528 0.0000000 0.0000000 0.0000000 -2.1848594 0.1441421 0.0000000 0.2633835 -2.0070985 41 O -2.2236211 0.0000000 0.0000000 0.0000000 -2.2802333 0.0462642 0.0000000 0.0808149 -2.4251643 42 O -2.4882026 0.0000000 0.0000000 0.0000000 -2.0626374 -0.0199726 0.0000000 -0.1528386 -1.9833107 43 O -2.5439407 0.0000000 0.0000000 0.0000000 -2.1991562 0.1851918 0.0000000 0.1716578 -2.1157344 44 O -1.8845082 0.0000000 0.0000000 0.0000000 -2.2356767 -0.1331818 0.0000000 -0.1917335 -2.5037907 ---------------------------------------------------------------------------- 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[ 4, 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[ 7, 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[ 19, 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[ 22, 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 40, 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[ 52, 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[ 61, 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[ 64, 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[ 67, 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[ 70, 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[ 76, 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[ 79, 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[ 103, 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[ 106, 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[ 109, 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[ 112, 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[ 115, 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 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 2026-01-09 00:09:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:09:56]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmc2_1 (26) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.215346630000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873788599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.532825199999998 Atomic positions (fractional): 1 Ca 0.00000000000000 0.84686726549021 0.85859521633241 40.078 2 Ca 0.50000000000000 0.86814922204191 0.65149197772313 40.078 3 Ca 0.50000000000000 0.89095943004645 0.04564790058612 40.078 4 Ca 0.50000000000000 0.10904056995354 0.54564790058612 40.078 5 Ca 0.50000000000000 0.13185077795809 0.15149197772313 40.078 6 Ca 0.00000000000000 0.15313273450979 0.35859521633241 40.078 7 Ca 0.00000000000000 0.34028165683369 0.64379054759460 40.078 8 Ca 0.50000000000000 0.37150903540986 0.85421861279194 40.078 9 Ca 0.00000000000000 0.38721575832946 0.04682869762194 40.078 10 Ca 0.00000000000000 0.61278424167054 0.54682869762194 40.078 11 Ca 0.50000000000000 0.62849096459014 0.35421861279194 40.078 12 Ca 0.00000000000000 0.65971834316631 0.14379054759460 40.078 13 In 0.00000000000000 0.87379225423584 0.45338043144212 114.818 14 In 0.50000000000000 0.90303117636901 0.27302170194054 114.818 15 In 0.50000000000000 0.09696882363099 0.77302170194054 114.818 16 In 0.00000000000000 0.12620774576416 0.95338043144212 114.818 17 In 0.50000000000000 0.38203723159322 0.45879010835568 114.818 18 In 0.50000000000000 0.40071725832650 0.23426475797395 114.818 19 In 0.50000000000000 0.59928274167351 0.73426475797395 114.818 20 In 0.50000000000000 0.61796276840678 0.95879010835568 114.818 21 O 0.00000000000000 0.75114431925757 0.99627222888770 15.999 22 O 0.50000000000000 0.74424181927520 0.48838322296387 15.999 23 O 0.50000000000000 0.79980158775743 0.16681191084793 15.999 24 O 0.00000000000000 0.79143003137622 0.33295059794907 15.999 25 O 0.00000000000000 0.96560075736951 0.74450663410922 15.999 26 O 0.50000000000000 0.99746923124421 0.90615825468264 15.999 27 O 0.00000000000000 0.96088980805529 0.56778439368176 15.999 28 O 0.00000000000000 0.03911019194471 0.06778439368176 15.999 29 O 0.50000000000000 0.00253076875579 0.40615825468264 15.999 30 O 0.00000000000000 0.03439924263049 0.24450663410922 15.999 31 O 0.00000000000000 0.20856996862378 0.83295059794907 15.999 32 O 0.50000000000000 0.20019841224257 0.66681191084793 15.999 33 O 0.50000000000000 0.25575818072480 0.98838322296387 15.999 34 O 0.00000000000000 0.24885568074243 0.49627222888770 15.999 35 O 0.50000000000000 0.29375636767633 0.34028291061920 15.999 36 O 0.00000000000000 0.29495175828375 0.17340592162560 15.999 37 O 0.00000000000000 0.46759672149199 0.75503488933882 15.999 38 O 0.50000000000000 0.46868831509264 0.58177817720994 15.999 39 O 0.00000000000000 0.48877189097628 0.92659419572182 15.999 40 O 0.00000000000000 0.51122810902372 0.42659419572182 15.999 41 O 0.50000000000000 0.53131168490736 0.08177817720994 15.999 42 O 0.00000000000000 0.53240327850801 0.25503488933882 15.999 43 O 0.00000000000000 0.70504824171625 0.67340592162560 15.999 44 O 0.50000000000000 0.70624363232367 0.84028291061920 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.646039890000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.873788599999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.532825199999998 Atomic positions (fractional): 1 Ca 0.00000000000000 0.84686726549021 0.85859521633241 40.078 > 1 2 Ca 0.33333333333333 0.84686726549021 0.85859521633241 40.078 > 1 3 Ca 0.66666666666667 0.84686726549021 0.85859521633241 40.078 > 1 4 Ca 0.16666666666667 0.86814922204191 0.65149197772313 40.078 > 4 5 Ca 0.50000000000000 0.86814922204191 0.65149197772313 40.078 > 4 6 Ca 0.83333333333333 0.86814922204191 0.65149197772313 40.078 > 4 7 Ca 0.16666666666667 0.89095943004645 0.04564790058612 40.078 > 7 8 Ca 0.50000000000000 0.89095943004645 0.04564790058612 40.078 > 7 9 Ca 0.83333333333333 0.89095943004645 0.04564790058612 40.078 > 7 10 Ca 0.16666666666667 0.10904056995354 0.54564790058612 40.078 > 10 11 Ca 0.50000000000000 0.10904056995354 0.54564790058612 40.078 > 10 12 Ca 0.83333333333333 0.10904056995354 0.54564790058612 40.078 > 10 13 Ca 0.16666666666667 0.13185077795809 0.15149197772313 40.078 > 13 14 Ca 0.50000000000000 0.13185077795809 0.15149197772313 40.078 > 13 15 Ca 0.83333333333333 0.13185077795809 0.15149197772313 40.078 > 13 16 Ca 0.00000000000000 0.15313273450979 0.35859521633241 40.078 > 16 17 Ca 0.33333333333333 0.15313273450979 0.35859521633241 40.078 > 16 18 Ca 0.66666666666667 0.15313273450979 0.35859521633241 40.078 > 16 19 Ca 0.00000000000000 0.34028165683369 0.64379054759460 40.078 > 19 20 Ca 0.33333333333333 0.34028165683369 0.64379054759460 40.078 > 19 21 Ca 0.66666666666667 0.34028165683369 0.64379054759460 40.078 > 19 22 Ca 0.16666666666667 0.37150903540986 0.85421861279194 40.078 > 22 23 Ca 0.50000000000000 0.37150903540986 0.85421861279194 40.078 > 22 24 Ca 0.83333333333333 0.37150903540986 0.85421861279194 40.078 > 22 25 Ca 0.00000000000000 0.38721575832946 0.04682869762194 40.078 > 25 26 Ca 0.33333333333333 0.38721575832946 0.04682869762194 40.078 > 25 27 Ca 0.66666666666667 0.38721575832946 0.04682869762194 40.078 > 25 28 Ca 0.00000000000000 0.61278424167054 0.54682869762194 40.078 > 28 29 Ca 0.33333333333333 0.61278424167054 0.54682869762194 40.078 > 28 30 Ca 0.66666666666667 0.61278424167054 0.54682869762194 40.078 > 28 31 Ca 0.16666666666667 0.62849096459014 0.35421861279194 40.078 > 31 32 Ca 0.50000000000000 0.62849096459014 0.35421861279194 40.078 > 31 33 Ca 0.83333333333333 0.62849096459014 0.35421861279194 40.078 > 31 34 Ca 0.00000000000000 0.65971834316631 0.14379054759460 40.078 > 34 35 Ca 0.33333333333333 0.65971834316631 0.14379054759460 40.078 > 34 36 Ca 0.66666666666667 0.65971834316631 0.14379054759460 40.078 > 34 37 In 0.00000000000000 0.87379225423584 0.45338043144212 114.818 > 37 38 In 0.33333333333333 0.87379225423584 0.45338043144212 114.818 > 37 39 In 0.66666666666667 0.87379225423584 0.45338043144212 114.818 > 37 40 In 0.16666666666667 0.90303117636901 0.27302170194054 114.818 > 40 41 In 0.50000000000000 0.90303117636901 0.27302170194054 114.818 > 40 42 In 0.83333333333333 0.90303117636901 0.27302170194054 114.818 > 40 43 In 0.16666666666667 0.09696882363099 0.77302170194054 114.818 > 43 44 In 0.50000000000000 0.09696882363099 0.77302170194054 114.818 > 43 45 In 0.83333333333333 0.09696882363099 0.77302170194054 114.818 > 43 46 In 0.00000000000000 0.12620774576416 0.95338043144212 114.818 > 46 47 In 0.33333333333333 0.12620774576416 0.95338043144212 114.818 > 46 48 In 0.66666666666667 0.12620774576416 0.95338043144212 114.818 > 46 49 In 0.16666666666667 0.38203723159322 0.45879010835568 114.818 > 49 50 In 0.50000000000000 0.38203723159322 0.45879010835568 114.818 > 49 51 In 0.83333333333333 0.38203723159322 0.45879010835568 114.818 > 49 52 In 0.16666666666667 0.40071725832650 0.23426475797395 114.818 > 52 53 In 0.50000000000000 0.40071725832650 0.23426475797395 114.818 > 52 54 In 0.83333333333333 0.40071725832650 0.23426475797395 114.818 > 52 55 In 0.16666666666667 0.59928274167351 0.73426475797395 114.818 > 55 56 In 0.50000000000000 0.59928274167351 0.73426475797395 114.818 > 55 57 In 0.83333333333333 0.59928274167351 0.73426475797395 114.818 > 55 58 In 0.16666666666667 0.61796276840678 0.95879010835568 114.818 > 58 59 In 0.50000000000000 0.61796276840678 0.95879010835568 114.818 > 58 60 In 0.83333333333333 0.61796276840678 0.95879010835568 114.818 > 58 61 O 0.00000000000000 0.75114431925757 0.99627222888770 15.999 > 61 62 O 0.33333333333333 0.75114431925757 0.99627222888770 15.999 > 61 63 O 0.66666666666667 0.75114431925757 0.99627222888770 15.999 > 61 64 O 0.16666666666667 0.74424181927520 0.48838322296387 15.999 > 64 65 O 0.50000000000000 0.74424181927520 0.48838322296387 15.999 > 64 66 O 0.83333333333333 0.74424181927520 0.48838322296387 15.999 > 64 67 O 0.16666666666667 0.79980158775743 0.16681191084793 15.999 > 67 68 O 0.50000000000000 0.79980158775743 0.16681191084793 15.999 > 67 69 O 0.83333333333333 0.79980158775743 0.16681191084793 15.999 > 67 70 O 0.00000000000000 0.79143003137622 0.33295059794907 15.999 > 70 71 O 0.33333333333333 0.79143003137622 0.33295059794907 15.999 > 70 72 O 0.66666666666667 0.79143003137622 0.33295059794907 15.999 > 70 73 O 0.00000000000000 0.96560075736951 0.74450663410922 15.999 > 73 74 O 0.33333333333333 0.96560075736951 0.74450663410922 15.999 > 73 75 O 0.66666666666667 0.96560075736951 0.74450663410922 15.999 > 73 76 O 0.16666666666667 0.99746923124421 0.90615825468264 15.999 > 76 77 O 0.50000000000000 0.99746923124421 0.90615825468264 15.999 > 76 78 O 0.83333333333333 0.99746923124421 0.90615825468264 15.999 > 76 79 O 0.00000000000000 0.96088980805529 0.56778439368176 15.999 > 79 80 O 0.33333333333333 0.96088980805529 0.56778439368176 15.999 > 79 81 O 0.66666666666667 0.96088980805529 0.56778439368176 15.999 > 79 82 O 0.00000000000000 0.03911019194471 0.06778439368176 15.999 > 82 83 O 0.33333333333333 0.03911019194471 0.06778439368176 15.999 > 82 84 O 0.66666666666667 0.03911019194471 0.06778439368176 15.999 > 82 85 O 0.16666666666667 0.00253076875579 0.40615825468264 15.999 > 85 86 O 0.50000000000000 0.00253076875579 0.40615825468264 15.999 > 85 87 O 0.83333333333333 0.00253076875579 0.40615825468264 15.999 > 85 88 O 0.00000000000000 0.03439924263049 0.24450663410922 15.999 > 88 89 O 0.33333333333333 0.03439924263049 0.24450663410922 15.999 > 88 90 O 0.66666666666667 0.03439924263049 0.24450663410922 15.999 > 88 91 O 0.00000000000000 0.20856996862378 0.83295059794907 15.999 > 91 92 O 0.33333333333333 0.20856996862378 0.83295059794907 15.999 > 91 93 O 0.66666666666667 0.20856996862378 0.83295059794907 15.999 > 91 94 O 0.16666666666667 0.20019841224257 0.66681191084793 15.999 > 94 95 O 0.50000000000000 0.20019841224257 0.66681191084793 15.999 > 94 96 O 0.83333333333333 0.20019841224257 0.66681191084793 15.999 > 94 97 O 0.16666666666667 0.25575818072480 0.98838322296387 15.999 > 97 98 O 0.50000000000000 0.25575818072480 0.98838322296387 15.999 > 97 99 O 0.83333333333333 0.25575818072480 0.98838322296387 15.999 > 97 100 O 0.00000000000000 0.24885568074243 0.49627222888770 15.999 > 100 101 O 0.33333333333333 0.24885568074243 0.49627222888770 15.999 > 100 102 O 0.66666666666667 0.24885568074243 0.49627222888770 15.999 > 100 103 O 0.16666666666667 0.29375636767633 0.34028291061920 15.999 > 103 104 O 0.50000000000000 0.29375636767633 0.34028291061920 15.999 > 103 105 O 0.83333333333333 0.29375636767633 0.34028291061920 15.999 > 103 106 O 0.00000000000000 0.29495175828375 0.17340592162560 15.999 > 106 107 O 0.33333333333333 0.29495175828375 0.17340592162560 15.999 > 106 108 O 0.66666666666667 0.29495175828375 0.17340592162560 15.999 > 106 109 O 0.00000000000000 0.46759672149199 0.75503488933882 15.999 > 109 110 O 0.33333333333333 0.46759672149199 0.75503488933882 15.999 > 109 111 O 0.66666666666667 0.46759672149199 0.75503488933882 15.999 > 109 112 O 0.16666666666667 0.46868831509264 0.58177817720994 15.999 > 112 113 O 0.50000000000000 0.46868831509264 0.58177817720994 15.999 > 112 114 O 0.83333333333333 0.46868831509264 0.58177817720994 15.999 > 112 115 O 0.00000000000000 0.48877189097628 0.92659419572182 15.999 > 115 116 O 0.33333333333333 0.48877189097628 0.92659419572182 15.999 > 115 117 O 0.66666666666667 0.48877189097628 0.92659419572182 15.999 > 115 118 O 0.00000000000000 0.51122810902372 0.42659419572182 15.999 > 118 119 O 0.33333333333333 0.51122810902372 0.42659419572182 15.999 > 118 120 O 0.66666666666667 0.51122810902372 0.42659419572182 15.999 > 118 121 O 0.16666666666667 0.53131168490736 0.08177817720994 15.999 > 121 122 O 0.50000000000000 0.53131168490736 0.08177817720994 15.999 > 121 123 O 0.83333333333333 0.53131168490736 0.08177817720994 15.999 > 121 124 O 0.00000000000000 0.53240327850801 0.25503488933882 15.999 > 124 125 O 0.33333333333333 0.53240327850801 0.25503488933882 15.999 > 124 126 O 0.66666666666667 0.53240327850801 0.25503488933882 15.999 > 124 127 O 0.00000000000000 0.70504824171625 0.67340592162560 15.999 > 127 128 O 0.33333333333333 0.70504824171625 0.67340592162560 15.999 > 127 129 O 0.66666666666667 0.70504824171625 0.67340592162560 15.999 > 127 130 O 0.16666666666667 0.70624363232367 0.84028291061920 15.999 > 130 131 O 0.50000000000000 0.70624363232367 0.84028291061920 15.999 > 130 132 O 0.83333333333333 0.70624363232367 0.84028291061920 15.999 > 130 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.4567855 0.0000000 0.0000000 0.0000000 4.2447103 0.0000000 0.0000000 0.0000000 4.2838762 -------------------------- Born effective charges -------------------------- 1 Ca 2.2993616 0.0000000 0.0000000 0.0000000 2.9227843 -0.1796348 0.0000000 -0.0185070 2.0054548 2 Ca 2.6850843 0.0000000 0.0000000 0.0000000 2.4558956 0.0066634 0.0000000 -0.1635727 2.5452287 3 Ca 2.3600534 0.0000000 0.0000000 0.0000000 2.6752342 -0.0321612 0.0000000 -0.2484010 2.3514115 4 Ca 2.3600534 0.0000000 0.0000000 0.0000000 2.6752342 0.0321612 0.0000000 0.2484010 2.3514115 5 Ca 2.6850843 0.0000000 0.0000000 0.0000000 2.4558956 -0.0066634 0.0000000 0.1635727 2.5452287 6 Ca 2.2993616 0.0000000 0.0000000 0.0000000 2.9227843 0.1796348 0.0000000 0.0185070 2.0054548 7 Ca 2.3204533 0.0000000 0.0000000 0.0000000 2.5416950 -0.0512856 0.0000000 -0.3054583 2.1749354 8 Ca 2.5680854 0.0000000 0.0000000 0.0000000 2.7141004 -0.0455108 0.0000000 0.0261695 2.3621733 9 Ca 2.3039024 0.0000000 0.0000000 0.0000000 2.4876363 0.1385365 0.0000000 0.0636384 2.2977698 10 Ca 2.3039024 0.0000000 0.0000000 0.0000000 2.4876363 -0.1385365 0.0000000 -0.0636384 2.2977698 11 Ca 2.5680854 0.0000000 0.0000000 0.0000000 2.7141004 0.0455108 0.0000000 -0.0261695 2.3621733 12 Ca 2.3204533 0.0000000 0.0000000 0.0000000 2.5416950 0.0512856 0.0000000 0.3054583 2.1749354 13 In 3.4022341 0.0000000 0.0000000 0.0000000 2.8191135 -0.0466275 0.0000000 0.0052078 2.9656369 14 In 3.4880199 0.0000000 0.0000000 0.0000000 2.6999709 0.1684031 0.0000000 0.1308731 3.2040870 15 In 3.4880199 0.0000000 0.0000000 0.0000000 2.6999709 -0.1684031 0.0000000 -0.1308731 3.2040870 16 In 3.4022341 0.0000000 0.0000000 0.0000000 2.8191135 0.0466275 0.0000000 -0.0052078 2.9656369 17 In 3.4533668 0.0000000 0.0000000 0.0000000 2.8963887 0.2091536 0.0000000 0.3367847 3.1620383 18 In 3.5586949 0.0000000 0.0000000 0.0000000 2.6834248 -0.2350140 0.0000000 -0.3297873 3.1331018 19 In 3.5586949 0.0000000 0.0000000 0.0000000 2.6834248 0.2350140 0.0000000 0.3297873 3.1331018 20 In 3.4533668 0.0000000 0.0000000 0.0000000 2.8963887 -0.2091536 0.0000000 -0.3367847 3.1620383 21 O -2.5273321 0.0000000 0.0000000 0.0000000 -2.4332923 -0.1425304 0.0000000 -0.0924657 -2.0518474 22 O -2.5107523 0.0000000 0.0000000 0.0000000 -2.3950481 0.3032659 0.0000000 0.2431987 -1.9477707 23 O -1.9339497 0.0000000 0.0000000 0.0000000 -2.2446564 -0.2520446 0.0000000 -0.2939554 -2.5747463 24 O -2.4251876 0.0000000 0.0000000 0.0000000 -2.1738326 0.1471138 0.0000000 0.1413215 -2.0938283 25 O -2.5564876 0.0000000 0.0000000 0.0000000 -2.1639070 -0.1388657 0.0000000 -0.1980528 -2.0752557 26 O -2.3960580 0.0000000 0.0000000 0.0000000 -2.3379135 -0.0646075 0.0000000 -0.0300330 -2.1943089 27 O -2.3564633 0.0000000 0.0000000 0.0000000 -2.1850310 0.0270201 0.0000000 0.0866655 -2.2289815 28 O -2.3564633 0.0000000 0.0000000 0.0000000 -2.1850310 -0.0270201 0.0000000 -0.0866655 -2.2289815 29 O -2.3960580 0.0000000 0.0000000 0.0000000 -2.3379135 0.0646075 0.0000000 0.0300330 -2.1943089 30 O -2.5564876 0.0000000 0.0000000 0.0000000 -2.1639070 0.1388657 0.0000000 0.1980528 -2.0752557 31 O -2.4251876 0.0000000 0.0000000 0.0000000 -2.1738326 -0.1471138 0.0000000 -0.1413215 -2.0938283 32 O -1.9339497 0.0000000 0.0000000 0.0000000 -2.2446564 0.2520446 0.0000000 0.2939554 -2.5747463 33 O -2.5107523 0.0000000 0.0000000 0.0000000 -2.3950481 -0.3032659 0.0000000 -0.2431987 -1.9477707 34 O -2.5273321 0.0000000 0.0000000 0.0000000 -2.4332923 0.1425304 0.0000000 0.0924657 -2.0518474 35 O -1.8845082 0.0000000 0.0000000 0.0000000 -2.2356767 0.1331818 0.0000000 0.1917335 -2.5037907 36 O -2.5439407 0.0000000 0.0000000 0.0000000 -2.1991562 -0.1851918 0.0000000 -0.1716578 -2.1157344 37 O -2.4882026 0.0000000 0.0000000 0.0000000 -2.0626374 0.0199726 0.0000000 0.1528386 -1.9833107 38 O -2.2236211 0.0000000 0.0000000 0.0000000 -2.2802333 -0.0462642 0.0000000 -0.0808149 -2.4251643 39 O -2.5927528 0.0000000 0.0000000 0.0000000 -2.1848594 -0.1441421 0.0000000 -0.2633835 -2.0070985 40 O -2.5927528 0.0000000 0.0000000 0.0000000 -2.1848594 0.1441421 0.0000000 0.2633835 -2.0070985 41 O -2.2236211 0.0000000 0.0000000 0.0000000 -2.2802333 0.0462642 0.0000000 0.0808149 -2.4251643 42 O -2.4882026 0.0000000 0.0000000 0.0000000 -2.0626374 -0.0199726 0.0000000 -0.1528386 -1.9833107 43 O -2.5439407 0.0000000 0.0000000 0.0000000 -2.1991562 0.1851918 0.0000000 0.1716578 -2.1157344 44 O -1.8845082 0.0000000 0.0000000 0.0000000 -2.2356767 -0.1331818 0.0000000 -0.1917335 -2.5037907 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zyz) 0.00000000 (zyz) 0.00000000 (zzy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 16 5 3 ] 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: 0.50, Number of G-points: 321, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.208 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 2.110 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 -0.000) 0.000 2.484 ( 0.000 0.000 -0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.854 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.955 ( 0.000 0.000 0.000) 0.000 3.117 ( 0.000 0.000 -0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.321 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 -0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 -0.000) 0.000 3.810 ( 0.000 0.000 0.000) 0.000 3.895 ( 0.000 0.000 0.000) 0.000 3.990 ( 0.000 0.000 0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 -0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.617 ( 0.000 0.000 -0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.763 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.986 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.011 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 6.032 ( 0.000 0.000 0.000) 0.000 6.068 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.242 ( 0.000 0.000 0.000) 0.000 6.580 ( 0.000 0.000 -0.000) 0.000 6.703 ( 0.000 0.000 0.000) 0.000 6.801 ( 0.000 0.000 0.000) 0.000 6.957 ( 0.000 0.000 -0.000) 0.000 7.041 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 -0.000) 0.000 7.413 ( 0.000 0.000 -0.000) 0.000 7.514 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 -0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 -0.000) 0.000 8.177 ( 0.000 0.000 -0.000) 0.000 8.275 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 8.500 ( 0.000 0.000 0.000) 0.000 8.564 ( 0.000 0.000 -0.000) 0.000 8.730 ( 0.000 0.000 0.000) 0.000 8.942 ( 0.000 0.000 -0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 -0.000) 0.000 8.978 ( 0.000 0.000 -0.000) 0.000 9.077 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.442 ( 0.000 0.000 0.000) 0.000 9.530 ( 0.000 0.000 0.000) 0.000 9.624 ( 0.000 0.000 -0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.730 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 -0.000) 0.000 9.889 ( 0.000 0.000 0.000) 0.000 9.902 ( 0.000 0.000 0.000) 0.000 9.939 ( 0.000 0.000 0.000) 0.000 10.027 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 -0.000) 0.000 10.054 ( 0.000 0.000 0.000) 0.000 10.107 ( 0.000 0.000 0.000) 0.000 10.231 ( 0.000 0.000 -0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 -0.000) 0.000 10.322 ( 0.000 0.000 0.000) 0.000 10.350 ( 0.000 0.000 0.000) 0.000 10.470 ( 0.000 0.000 0.000) 0.000 10.482 ( 0.000 0.000 0.000) 0.000 10.547 ( 0.000 0.000 0.000) 0.000 10.609 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 10.982 ( 0.000 0.000 -0.000) 0.000 11.003 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.153 ( 0.000 0.000 0.000) 0.000 11.264 ( 0.000 0.000 0.000) 0.000 11.431 ( 0.000 0.000 -0.000) 0.000 11.434 ( 0.000 0.000 0.000) 0.000 11.451 ( 0.000 0.000 0.000) 0.000 11.627 ( 0.000 0.000 0.000) 0.000 11.652 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.571 ( 0.000 0.000 -0.000) 0.000 12.675 ( 0.000 0.000 0.000) 0.000 12.724 ( 0.000 0.000 0.000) 0.000 12.955 ( 0.000 0.000 -0.000) 0.000 13.211 ( 0.000 0.000 -0.000) 0.000 13.632 ( 0.000 0.000 0.000) 0.000 14.050 ( 0.000 0.000 0.000) 0.000 14.355 ( 0.000 0.000 0.000) 0.000 14.378 ( 0.000 0.000 -0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.642 ( 0.000 0.000 0.000) 0.000 14.913 ( 0.000 0.000 0.000) 0.000 15.077 ( 0.000 0.000 0.000) 0.000 15.396 ( 0.000 0.000 -0.000) 0.000 15.473 ( 0.000 0.000 0.000) 0.000 15.694 ( 0.000 0.000 -0.000) 0.000 15.703 ( 0.000 0.000 -0.000) 0.000 15.756 ( 0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 0.000) 0.000 16.201 ( 0.000 0.000 -0.000) 0.000 17.084 ( 0.000 0.000 0.000) 0.000 17.169 ( 0.000 0.000 -0.000) 0.000 17.466 ( 0.000 0.000 0.000) 0.000 17.986 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.06 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 29.341 0.000 0.000) 29.341 0.533 ( 29.302 0.000 0.000) 29.302 1.353 ( 67.945 0.000 0.000) 67.945 1.646 ( 35.941 0.000 0.000) 35.941 1.756 ( 10.079 0.000 0.000) 10.079 1.928 ( 13.116 0.000 0.000) 13.116 2.167 ( 10.686 0.000 0.000) 10.686 2.208 ( 14.699 0.000 0.000) 14.699 2.261 ( 17.321 0.000 0.000) 17.321 2.519 ( 1.061 0.000 0.000) 1.061 2.523 ( 16.399 0.000 0.000) 16.399 2.744 ( 20.278 0.000 0.000) 20.278 2.869 ( 8.347 0.000 0.000) 8.347 3.106 ( 5.961 0.000 0.000) 5.961 3.150 ( 9.705 0.000 0.000) 9.705 3.164 ( 17.613 0.000 0.000) 17.613 3.263 ( -0.293 0.000 0.000) 0.293 3.286 ( -0.484 0.000 0.000) 0.484 3.472 ( 1.112 0.000 0.000) 1.112 3.615 ( 10.298 0.000 0.000) 10.298 3.618 ( 1.167 0.000 0.000) 1.167 3.693 ( 7.324 0.000 0.000) 7.324 3.776 ( 10.746 0.000 0.000) 10.746 3.828 ( 10.807 0.000 0.000) 10.807 3.894 ( 14.612 0.000 0.000) 14.612 3.901 ( 2.573 0.000 0.000) 2.573 4.010 ( 6.348 0.000 0.000) 6.348 4.022 ( 16.122 0.000 0.000) 16.122 4.137 ( 3.934 0.000 0.000) 3.934 4.265 ( 11.717 0.000 0.000) 11.717 4.301 ( 19.499 0.000 0.000) 19.499 4.377 ( 16.942 0.000 0.000) 16.942 4.489 ( 23.649 0.000 0.000) 23.649 4.734 ( 2.454 0.000 0.000) 2.454 4.734 ( 2.867 0.000 0.000) 2.867 4.826 ( 16.359 0.000 0.000) 16.359 4.849 ( 17.714 0.000 0.000) 17.714 4.922 ( 6.077 0.000 0.000) 6.077 5.038 ( 10.719 0.000 0.000) 10.719 5.108 ( 8.287 0.000 0.000) 8.287 5.163 ( 15.699 0.000 0.000) 15.699 5.252 ( 8.600 0.000 0.000) 8.600 5.319 ( 11.259 0.000 0.000) 11.259 6.011 ( -1.710 0.000 0.000) 1.710 6.050 ( -1.234 0.000 0.000) 1.234 6.208 ( -0.825 0.000 0.000) 0.825 6.218 ( -2.027 0.000 0.000) 2.027 6.558 ( -1.815 0.000 0.000) 1.815 6.679 ( -2.148 0.000 0.000) 2.148 6.768 ( -2.204 0.000 0.000) 2.204 6.946 ( -1.250 0.000 0.000) 1.250 7.030 ( -0.265 0.000 0.000) 0.265 7.335 ( -2.445 0.000 0.000) 2.445 7.458 ( -2.570 0.000 0.000) 2.570 7.539 ( -1.105 0.000 0.000) 1.105 7.561 ( -5.620 0.000 0.000) 5.620 7.586 ( 26.636 0.000 0.000) 26.636 7.598 ( 13.102 0.000 0.000) 13.102 7.785 ( -3.764 0.000 0.000) 3.764 8.126 ( -3.464 0.000 0.000) 3.464 8.359 ( -13.040 0.000 0.000) 13.040 8.390 ( 1.497 0.000 0.000) 1.497 8.503 ( 19.744 0.000 0.000) 19.744 8.556 ( 12.122 0.000 0.000) 12.122 8.640 ( -5.313 0.000 0.000) 5.313 8.856 ( -8.877 0.000 0.000) 8.877 8.895 ( -7.126 0.000 0.000) 7.126 9.002 ( -5.513 0.000 0.000) 5.513 9.096 ( -4.461 0.000 0.000) 4.461 9.179 ( 16.758 0.000 0.000) 16.758 9.342 ( 16.496 0.000 0.000) 16.496 9.436 ( -10.361 0.000 0.000) 10.361 9.530 ( 9.684 0.000 0.000) 9.684 9.557 ( 5.868 0.000 0.000) 5.868 9.722 ( 4.703 0.000 0.000) 4.703 9.757 ( 1.114 0.000 0.000) 1.114 9.801 ( -3.412 0.000 0.000) 3.412 9.819 ( 13.132 0.000 0.000) 13.132 9.922 ( 7.561 0.000 0.000) 7.561 9.971 ( 4.082 0.000 0.000) 4.082 10.050 ( 3.743 0.000 0.000) 3.743 10.057 ( 9.362 0.000 0.000) 9.362 10.133 ( 11.578 0.000 0.000) 11.578 10.150 ( 9.817 0.000 0.000) 9.817 10.207 ( 6.173 0.000 0.000) 6.173 10.248 ( 2.301 0.000 0.000) 2.301 10.269 ( 1.682 0.000 0.000) 1.682 10.374 ( 10.481 0.000 0.000) 10.481 10.418 ( 2.179 0.000 0.000) 2.179 10.423 ( 0.758 0.000 0.000) 0.758 10.492 ( 11.425 0.000 0.000) 11.425 10.494 ( 6.640 0.000 0.000) 6.640 10.626 ( 6.868 0.000 0.000) 6.868 10.660 ( 5.002 0.000 0.000) 5.002 10.863 ( -0.337 0.000 0.000) 0.337 10.933 ( 2.366 0.000 0.000) 2.366 11.068 ( -0.073 0.000 0.000) 0.073 11.102 ( 7.733 0.000 0.000) 7.733 11.119 ( 8.039 0.000 0.000) 8.039 11.157 ( 1.906 0.000 0.000) 1.906 11.243 ( -1.576 0.000 0.000) 1.576 11.436 ( -1.028 0.000 0.000) 1.028 11.477 ( 5.659 0.000 0.000) 5.659 11.504 ( 7.657 0.000 0.000) 7.657 11.671 ( 2.892 0.000 0.000) 2.892 11.680 ( 3.922 0.000 0.000) 3.922 12.301 ( 5.815 0.000 0.000) 5.815 12.558 ( -1.283 0.000 0.000) 1.283 12.656 ( -1.933 0.000 0.000) 1.933 12.715 ( -0.797 0.000 0.000) 0.797 12.992 ( 3.687 0.000 0.000) 3.687 13.199 ( -1.173 0.000 0.000) 1.173 13.595 ( -3.663 0.000 0.000) 3.663 13.996 ( -5.515 0.000 0.000) 5.515 14.307 ( -4.830 0.000 0.000) 4.830 14.353 ( -2.749 0.000 0.000) 2.749 14.440 ( -5.019 0.000 0.000) 5.019 14.587 ( -5.573 0.000 0.000) 5.573 14.862 ( -5.140 0.000 0.000) 5.140 15.012 ( -6.563 0.000 0.000) 6.563 15.296 ( -10.062 0.000 0.000) 10.062 15.453 ( -2.449 0.000 0.000) 2.449 15.606 ( -9.303 0.000 0.000) 9.303 15.620 ( -7.528 0.000 0.000) 7.528 15.670 ( -8.720 0.000 0.000) 8.720 15.969 ( -7.374 0.000 0.000) 7.374 16.107 ( -9.120 0.000 0.000) 9.120 16.687 ( -4.065 0.000 0.000) 4.065 17.014 ( -7.095 0.000 0.000) 7.095 17.090 ( -7.695 0.000 0.000) 7.695 17.369 ( -9.551 0.000 0.000) 9.551 17.868 ( -11.628 0.000 0.000) 11.628 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 31.113 0.000 0.000) 31.113 1.132 ( 32.411 0.000 0.000) 32.411 2.005 ( 2.828 0.000 0.000) 2.828 2.016 ( 15.590 0.000 0.000) 15.590 2.331 ( 25.549 0.000 0.000) 25.549 2.383 ( 14.158 0.000 0.000) 14.158 2.548 ( 21.831 0.000 0.000) 21.831 2.549 ( 3.377 0.000 0.000) 3.377 2.611 ( 56.478 0.000 0.000) 56.478 2.846 ( 28.734 0.000 0.000) 28.734 2.947 ( 27.970 0.000 0.000) 27.970 3.154 ( 8.029 0.000 0.000) 8.029 3.204 ( 20.966 0.000 0.000) 20.966 3.245 ( 3.690 0.000 0.000) 3.690 3.254 ( 3.860 0.000 0.000) 3.860 3.272 ( 28.247 0.000 0.000) 28.247 3.455 ( 5.016 0.000 0.000) 5.016 3.555 ( 23.856 0.000 0.000) 23.856 3.615 ( 4.814 0.000 0.000) 4.814 3.670 ( 1.793 0.000 0.000) 1.793 3.721 ( 22.315 0.000 0.000) 22.315 3.843 ( 9.669 0.000 0.000) 9.669 3.918 ( 2.517 0.000 0.000) 2.517 3.952 ( 4.852 0.000 0.000) 4.852 4.071 ( 5.502 0.000 0.000) 5.502 4.214 ( 16.088 0.000 0.000) 16.088 4.261 ( 7.941 0.000 0.000) 7.941 4.272 ( 12.514 0.000 0.000) 12.514 4.523 ( 23.858 0.000 0.000) 23.858 4.613 ( 27.744 0.000 0.000) 27.744 4.720 ( 14.049 0.000 0.000) 14.049 4.737 ( 18.011 0.000 0.000) 18.011 4.834 ( 34.058 0.000 0.000) 34.058 4.892 ( 10.142 0.000 0.000) 10.142 5.050 ( 18.072 0.000 0.000) 18.072 5.148 ( 28.154 0.000 0.000) 28.154 5.217 ( 16.654 0.000 0.000) 16.654 5.353 ( 33.473 0.000 0.000) 33.473 5.392 ( 28.876 0.000 0.000) 28.876 5.489 ( 18.998 0.000 0.000) 18.998 5.501 ( 20.576 0.000 0.000) 20.576 5.536 ( 29.242 0.000 0.000) 29.242 5.717 ( 21.364 0.000 0.000) 21.364 6.018 ( 5.164 0.000 0.000) 5.164 6.070 ( 4.612 0.000 0.000) 4.612 6.217 ( 3.587 0.000 0.000) 3.587 6.227 ( 7.934 0.000 0.000) 7.934 6.539 ( 1.131 0.000 0.000) 1.131 6.638 ( -1.310 0.000 0.000) 1.310 6.741 ( 0.184 0.000 0.000) 0.184 6.906 ( -2.375 0.000 0.000) 2.375 7.067 ( 4.140 0.000 0.000) 4.140 7.250 ( -5.342 0.000 0.000) 5.342 7.322 ( -9.898 0.000 0.000) 9.898 7.368 ( -4.372 0.000 0.000) 4.372 7.458 ( -5.297 0.000 0.000) 5.297 7.677 ( -6.514 0.000 0.000) 6.514 7.867 ( -3.625 0.000 0.000) 3.625 8.051 ( -8.537 0.000 0.000) 8.537 8.248 ( 24.595 0.000 0.000) 24.595 8.339 ( 0.936 0.000 0.000) 0.936 8.438 ( 30.860 0.000 0.000) 30.860 8.463 ( 0.150 0.000 0.000) 0.150 8.615 ( -9.719 0.000 0.000) 9.719 8.733 ( -8.268 0.000 0.000) 8.268 8.815 ( -4.994 0.000 0.000) 4.994 8.973 ( -7.875 0.000 0.000) 7.875 9.058 ( 29.355 0.000 0.000) 29.355 9.086 ( 25.588 0.000 0.000) 25.588 9.175 ( -13.723 0.000 0.000) 13.723 9.495 ( 11.059 0.000 0.000) 11.059 9.512 ( -4.912 0.000 0.000) 4.912 9.639 ( 2.118 0.000 0.000) 2.118 9.728 ( 0.714 0.000 0.000) 0.714 9.766 ( 17.336 0.000 0.000) 17.336 9.876 ( 1.160 0.000 0.000) 1.160 9.933 ( 10.235 0.000 0.000) 10.235 9.953 ( 5.030 0.000 0.000) 5.030 10.019 ( 9.457 0.000 0.000) 9.457 10.075 ( -2.063 0.000 0.000) 2.063 10.203 ( 10.090 0.000 0.000) 10.090 10.228 ( 1.797 0.000 0.000) 1.797 10.268 ( 11.405 0.000 0.000) 11.405 10.281 ( 9.221 0.000 0.000) 9.221 10.370 ( 9.069 0.000 0.000) 9.069 10.393 ( 8.933 0.000 0.000) 8.933 10.426 ( 10.406 0.000 0.000) 10.406 10.483 ( 13.096 0.000 0.000) 13.096 10.538 ( 13.891 0.000 0.000) 13.891 10.611 ( 7.602 0.000 0.000) 7.602 10.705 ( 13.029 0.000 0.000) 13.029 10.799 ( 14.469 0.000 0.000) 14.469 10.805 ( 12.443 0.000 0.000) 12.443 10.806 ( 10.987 0.000 0.000) 10.987 10.901 ( 4.354 0.000 0.000) 4.354 10.981 ( 2.224 0.000 0.000) 2.224 11.075 ( 4.735 0.000 0.000) 4.735 11.166 ( 2.743 0.000 0.000) 2.743 11.242 ( 3.456 0.000 0.000) 3.456 11.306 ( 8.375 0.000 0.000) 8.375 11.343 ( 10.563 0.000 0.000) 10.563 11.420 ( 1.693 0.000 0.000) 1.693 11.606 ( 3.117 0.000 0.000) 3.117 11.657 ( 11.935 0.000 0.000) 11.935 11.753 ( 4.447 0.000 0.000) 4.447 11.830 ( 12.705 0.000 0.000) 12.705 12.431 ( 6.101 0.000 0.000) 6.101 12.526 ( -1.810 0.000 0.000) 1.810 12.612 ( -1.712 0.000 0.000) 1.712 12.698 ( -0.829 0.000 0.000) 0.829 13.084 ( 5.248 0.000 0.000) 5.248 13.173 ( -1.204 0.000 0.000) 1.204 13.502 ( -5.432 0.000 0.000) 5.432 13.845 ( -9.577 0.000 0.000) 9.577 14.175 ( -8.611 0.000 0.000) 8.611 14.260 ( -7.101 0.000 0.000) 7.101 14.309 ( -7.817 0.000 0.000) 7.817 14.435 ( -9.764 0.000 0.000) 9.764 14.722 ( -9.056 0.000 0.000) 9.056 14.835 ( -11.123 0.000 0.000) 11.123 15.024 ( -17.249 0.000 0.000) 17.249 15.278 ( -17.112 0.000 0.000) 17.112 15.413 ( -12.391 0.000 0.000) 12.391 15.430 ( -15.463 0.000 0.000) 15.463 15.470 ( -2.995 0.000 0.000) 2.995 15.777 ( -11.735 0.000 0.000) 11.735 15.883 ( -12.950 0.000 0.000) 12.950 16.573 ( -7.412 0.000 0.000) 7.412 16.822 ( -12.189 0.000 0.000) 12.189 16.895 ( -11.723 0.000 0.000) 11.723 17.124 ( -14.805 0.000 0.000) 14.805 17.567 ( -18.393 0.000 0.000) 18.393 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.19 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 29.049 0.000 0.000) 29.049 1.728 ( 26.327 0.000 0.000) 26.327 2.117 ( 11.277 0.000 0.000) 11.277 2.337 ( 17.178 0.000 0.000) 17.178 2.613 ( 4.337 0.000 0.000) 4.337 2.646 ( 10.358 0.000 0.000) 10.358 2.724 ( 20.436 0.000 0.000) 20.436 2.930 ( 15.967 0.000 0.000) 15.967 3.095 ( 3.362 0.000 0.000) 3.362 3.224 ( 7.813 0.000 0.000) 7.813 3.300 ( 6.033 0.000 0.000) 6.033 3.432 ( 13.035 0.000 0.000) 13.035 3.529 ( 18.136 0.000 0.000) 18.136 3.567 ( 9.074 0.000 0.000) 9.074 3.631 ( 24.055 0.000 0.000) 24.055 3.679 ( 17.403 0.000 0.000) 17.403 3.743 ( 13.488 0.000 0.000) 13.488 3.800 ( 25.648 0.000 0.000) 25.648 3.878 ( 27.602 0.000 0.000) 27.602 3.961 ( 6.338 0.000 0.000) 6.338 4.013 ( 16.818 0.000 0.000) 16.818 4.070 ( 12.164 0.000 0.000) 12.164 4.099 ( 15.503 0.000 0.000) 15.503 4.266 ( 27.714 0.000 0.000) 27.714 4.294 ( 18.560 0.000 0.000) 18.560 4.351 ( 11.384 0.000 0.000) 11.384 4.433 ( 7.925 0.000 0.000) 7.925 4.455 ( 7.928 0.000 0.000) 7.928 4.731 ( 11.551 0.000 0.000) 11.551 4.868 ( 1.656 0.000 0.000) 1.656 5.152 ( 14.565 0.000 0.000) 14.565 5.205 ( 19.571 0.000 0.000) 19.571 5.370 ( 40.693 0.000 0.000) 40.693 5.492 ( 17.928 0.000 0.000) 17.928 5.564 ( 20.494 0.000 0.000) 20.494 5.580 ( 26.109 0.000 0.000) 26.109 5.637 ( 10.126 0.000 0.000) 10.126 5.669 ( 28.300 0.000 0.000) 28.300 5.902 ( 2.187 0.000 0.000) 2.187 5.915 ( 13.059 0.000 0.000) 13.059 5.925 ( 30.651 0.000 0.000) 30.651 6.034 ( 17.250 0.000 0.000) 17.250 6.181 ( 41.151 0.000 0.000) 41.151 6.308 ( 26.909 0.000 0.000) 26.909 6.336 ( 19.543 0.000 0.000) 19.543 6.459 ( 13.207 0.000 0.000) 13.207 6.671 ( 30.297 0.000 0.000) 30.297 6.704 ( 12.806 0.000 0.000) 12.806 6.743 ( 28.404 0.000 0.000) 28.404 6.851 ( 7.619 0.000 0.000) 7.619 6.897 ( 7.975 0.000 0.000) 7.975 7.141 ( 4.009 0.000 0.000) 4.009 7.154 ( -3.304 0.000 0.000) 3.304 7.251 ( 5.771 0.000 0.000) 5.771 7.374 ( 4.246 0.000 0.000) 4.246 7.390 ( -0.260 0.000 0.000) 0.260 7.570 ( -0.493 0.000 0.000) 0.493 7.685 ( -11.566 0.000 0.000) 11.566 7.893 ( -6.503 0.000 0.000) 6.503 8.205 ( -10.285 0.000 0.000) 10.285 8.224 ( -3.943 0.000 0.000) 3.943 8.371 ( -11.589 0.000 0.000) 11.589 8.518 ( -10.214 0.000 0.000) 10.214 8.609 ( -11.062 0.000 0.000) 11.062 8.777 ( -10.310 0.000 0.000) 10.310 8.864 ( -15.110 0.000 0.000) 15.110 9.191 ( 36.130 0.000 0.000) 36.130 9.281 ( 39.493 0.000 0.000) 39.493 9.375 ( -2.852 0.000 0.000) 2.852 9.472 ( 2.442 0.000 0.000) 2.442 9.581 ( 11.633 0.000 0.000) 11.633 9.642 ( -0.687 0.000 0.000) 0.687 9.665 ( 14.383 0.000 0.000) 14.383 9.765 ( 11.739 0.000 0.000) 11.739 9.878 ( 7.803 0.000 0.000) 7.803 9.909 ( -8.496 0.000 0.000) 8.496 10.031 ( 3.449 0.000 0.000) 3.449 10.087 ( 1.755 0.000 0.000) 1.755 10.091 ( 0.687 0.000 0.000) 0.687 10.193 ( 13.106 0.000 0.000) 13.106 10.250 ( 6.420 0.000 0.000) 6.420 10.282 ( 1.505 0.000 0.000) 1.505 10.529 ( 11.436 0.000 0.000) 11.436 10.564 ( 14.472 0.000 0.000) 14.472 10.598 ( 11.824 0.000 0.000) 11.824 10.603 ( 6.855 0.000 0.000) 6.855 10.664 ( 11.055 0.000 0.000) 11.055 10.712 ( 11.865 0.000 0.000) 11.865 10.769 ( 14.290 0.000 0.000) 14.290 10.834 ( 15.382 0.000 0.000) 15.382 10.887 ( 3.575 0.000 0.000) 3.575 10.895 ( 2.077 0.000 0.000) 2.077 11.009 ( 7.663 0.000 0.000) 7.663 11.067 ( 7.208 0.000 0.000) 7.208 11.084 ( 14.550 0.000 0.000) 14.550 11.129 ( 15.414 0.000 0.000) 15.414 11.297 ( 13.357 0.000 0.000) 13.357 11.309 ( 13.695 0.000 0.000) 13.695 11.331 ( 1.507 0.000 0.000) 1.507 11.402 ( 4.446 0.000 0.000) 4.446 11.471 ( 10.682 0.000 0.000) 10.682 11.614 ( 12.139 0.000 0.000) 12.139 11.701 ( 8.021 0.000 0.000) 8.021 11.826 ( 5.836 0.000 0.000) 5.836 11.964 ( 16.284 0.000 0.000) 16.284 12.095 ( 13.657 0.000 0.000) 13.657 12.489 ( 1.002 0.000 0.000) 1.002 12.491 ( -1.736 0.000 0.000) 1.736 12.643 ( 4.792 0.000 0.000) 4.792 12.696 ( 1.052 0.000 0.000) 1.052 13.160 ( -0.187 0.000 0.000) 0.187 13.166 ( 1.957 0.000 0.000) 1.957 13.412 ( -2.751 0.000 0.000) 2.751 13.646 ( -10.258 0.000 0.000) 10.258 13.975 ( -11.871 0.000 0.000) 11.871 14.084 ( -10.320 0.000 0.000) 10.320 14.162 ( -6.893 0.000 0.000) 6.893 14.214 ( -12.795 0.000 0.000) 12.795 14.516 ( -11.964 0.000 0.000) 11.964 14.602 ( -12.905 0.000 0.000) 12.905 14.663 ( -18.054 0.000 0.000) 18.054 14.894 ( -20.647 0.000 0.000) 20.647 15.098 ( -17.827 0.000 0.000) 17.827 15.164 ( -11.977 0.000 0.000) 11.977 15.423 ( -3.409 0.000 0.000) 3.409 15.539 ( -12.078 0.000 0.000) 12.078 15.640 ( -10.853 0.000 0.000) 10.853 16.406 ( -9.547 0.000 0.000) 9.547 16.559 ( -14.408 0.000 0.000) 14.408 16.656 ( -12.513 0.000 0.000) 12.513 16.825 ( -15.331 0.000 0.000) 15.331 17.188 ( -19.855 0.000 0.000) 19.855 ======================= Grid point 4 (5/54) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 11.554 0.000 0.000) 11.554 2.223 ( 21.849 0.000 0.000) 21.849 2.504 ( 24.861 0.000 0.000) 24.861 2.634 ( 10.348 0.000 0.000) 10.348 2.773 ( 15.153 0.000 0.000) 15.153 2.798 ( 5.946 0.000 0.000) 5.946 3.115 ( 13.687 0.000 0.000) 13.687 3.179 ( 11.276 0.000 0.000) 11.276 3.203 ( 13.347 0.000 0.000) 13.347 3.372 ( 8.581 0.000 0.000) 8.581 3.442 ( 8.405 0.000 0.000) 8.405 3.597 ( 7.281 0.000 0.000) 7.281 3.700 ( 6.239 0.000 0.000) 6.239 3.733 ( 7.083 0.000 0.000) 7.083 3.848 ( 4.749 0.000 0.000) 4.749 3.895 ( 5.691 0.000 0.000) 5.691 3.926 ( 5.947 0.000 0.000) 5.947 4.167 ( 6.765 0.000 0.000) 6.765 4.193 ( 9.215 0.000 0.000) 9.215 4.233 ( 17.615 0.000 0.000) 17.615 4.288 ( 8.952 0.000 0.000) 8.952 4.331 ( 18.077 0.000 0.000) 18.077 4.515 ( 3.824 0.000 0.000) 3.824 4.586 ( 19.354 0.000 0.000) 19.354 4.737 ( 26.646 0.000 0.000) 26.646 4.759 ( 25.734 0.000 0.000) 25.734 4.774 ( 26.184 0.000 0.000) 26.184 4.853 ( 27.040 0.000 0.000) 27.040 4.913 ( 5.086 0.000 0.000) 5.086 5.059 ( 19.802 0.000 0.000) 19.802 5.417 ( 14.641 0.000 0.000) 14.641 5.465 ( 7.621 0.000 0.000) 7.621 5.537 ( -2.050 0.000 0.000) 2.050 5.567 ( -0.431 0.000 0.000) 0.431 5.717 ( -3.991 0.000 0.000) 3.991 5.922 ( 8.447 0.000 0.000) 8.447 5.977 ( 3.480 0.000 0.000) 3.480 6.074 ( 8.799 0.000 0.000) 8.799 6.252 ( 19.110 0.000 0.000) 19.110 6.273 ( 11.320 0.000 0.000) 11.320 6.344 ( 28.511 0.000 0.000) 28.511 6.477 ( 30.100 0.000 0.000) 30.100 6.677 ( 18.342 0.000 0.000) 18.342 6.747 ( 27.742 0.000 0.000) 27.742 6.801 ( 2.563 0.000 0.000) 2.563 6.851 ( 19.660 0.000 0.000) 19.660 6.951 ( 19.004 0.000 0.000) 19.004 6.954 ( 2.885 0.000 0.000) 2.885 7.101 ( 11.323 0.000 0.000) 11.323 7.174 ( 15.072 0.000 0.000) 15.072 7.266 ( 23.721 0.000 0.000) 23.721 7.282 ( 4.281 0.000 0.000) 4.281 7.484 ( 5.118 0.000 0.000) 5.118 7.518 ( 32.116 0.000 0.000) 32.116 7.548 ( 15.658 0.000 0.000) 15.658 7.574 ( 31.054 0.000 0.000) 31.054 7.721 ( 29.663 0.000 0.000) 29.663 7.788 ( 14.552 0.000 0.000) 14.552 7.844 ( 4.168 0.000 0.000) 4.168 8.006 ( -9.197 0.000 0.000) 9.197 8.182 ( -5.988 0.000 0.000) 5.988 8.246 ( 8.851 0.000 0.000) 8.851 8.336 ( -4.523 0.000 0.000) 4.523 8.400 ( -8.438 0.000 0.000) 8.438 8.576 ( -8.125 0.000 0.000) 8.125 8.583 ( -10.361 0.000 0.000) 10.361 9.166 ( -9.871 0.000 0.000) 9.871 9.368 ( -6.342 0.000 0.000) 6.342 9.375 ( -12.428 0.000 0.000) 12.428 9.667 ( -10.956 0.000 0.000) 10.956 9.739 ( 1.567 0.000 0.000) 1.567 9.739 ( 4.224 0.000 0.000) 4.224 9.990 ( 12.398 0.000 0.000) 12.398 9.990 ( 15.176 0.000 0.000) 15.176 10.028 ( 6.705 0.000 0.000) 6.705 10.082 ( 1.093 0.000 0.000) 1.093 10.084 ( 11.440 0.000 0.000) 11.440 10.135 ( 6.396 0.000 0.000) 6.396 10.210 ( 20.568 0.000 0.000) 20.568 10.303 ( 6.451 0.000 0.000) 6.451 10.373 ( 8.351 0.000 0.000) 8.351 10.491 ( 11.183 0.000 0.000) 11.183 10.662 ( 7.417 0.000 0.000) 7.417 10.681 ( -1.005 0.000 0.000) 1.005 10.717 ( 4.308 0.000 0.000) 4.308 10.758 ( 3.001 0.000 0.000) 3.001 10.872 ( 12.269 0.000 0.000) 12.269 10.896 ( 4.665 0.000 0.000) 4.665 11.010 ( 9.341 0.000 0.000) 9.341 11.011 ( 9.864 0.000 0.000) 9.864 11.041 ( 13.584 0.000 0.000) 13.584 11.091 ( 2.052 0.000 0.000) 2.052 11.172 ( 16.249 0.000 0.000) 16.249 11.233 ( 8.200 0.000 0.000) 8.200 11.305 ( 1.451 0.000 0.000) 1.451 11.311 ( 8.799 0.000 0.000) 8.799 11.374 ( 5.019 0.000 0.000) 5.019 11.456 ( 5.861 0.000 0.000) 5.861 11.594 ( 12.525 0.000 0.000) 12.525 11.610 ( 12.388 0.000 0.000) 12.388 11.708 ( 14.468 0.000 0.000) 14.468 11.854 ( 10.561 0.000 0.000) 10.561 11.973 ( 20.694 0.000 0.000) 20.694 11.992 ( 14.247 0.000 0.000) 14.247 12.304 ( 17.848 0.000 0.000) 17.848 12.315 ( 6.632 0.000 0.000) 6.632 12.491 ( 4.214 0.000 0.000) 4.214 12.553 ( 6.205 0.000 0.000) 6.205 12.746 ( 4.077 0.000 0.000) 4.077 12.756 ( 6.439 0.000 0.000) 6.439 13.138 ( -3.799 0.000 0.000) 3.799 13.161 ( 0.145 0.000 0.000) 0.145 13.402 ( -0.134 0.000 0.000) 0.134 13.467 ( -8.016 0.000 0.000) 8.016 13.728 ( -12.835 0.000 0.000) 12.835 13.893 ( -8.452 0.000 0.000) 8.452 13.948 ( -14.047 0.000 0.000) 14.047 14.045 ( -5.217 0.000 0.000) 5.217 14.267 ( -13.096 0.000 0.000) 13.096 14.282 ( -16.771 0.000 0.000) 16.771 14.444 ( -6.178 0.000 0.000) 6.178 14.529 ( -15.847 0.000 0.000) 15.847 14.771 ( -15.046 0.000 0.000) 15.046 14.971 ( -7.856 0.000 0.000) 7.856 15.280 ( -10.697 0.000 0.000) 10.697 15.328 ( -9.183 0.000 0.000) 9.183 15.516 ( -2.478 0.000 0.000) 2.478 16.211 ( -10.360 0.000 0.000) 10.360 16.278 ( -14.058 0.000 0.000) 14.058 16.421 ( -11.444 0.000 0.000) 11.444 16.546 ( -13.096 0.000 0.000) 13.096 16.818 ( -17.817 0.000 0.000) 17.817 ======================= Grid point 5 (6/54) ======================= q-point: ( 0.31 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 9.156 0.000 0.000) 9.156 2.533 ( 10.183 0.000 0.000) 10.183 2.801 ( 8.336 0.000 0.000) 8.336 2.899 ( 5.330 0.000 0.000) 5.330 2.946 ( 18.682 0.000 0.000) 18.682 3.124 ( 18.132 0.000 0.000) 18.132 3.240 ( 5.857 0.000 0.000) 5.857 3.438 ( 9.242 0.000 0.000) 9.242 3.498 ( 12.789 0.000 0.000) 12.789 3.599 ( 16.136 0.000 0.000) 16.136 3.651 ( 14.241 0.000 0.000) 14.241 3.734 ( 6.529 0.000 0.000) 6.529 3.835 ( 7.577 0.000 0.000) 7.577 3.863 ( 4.880 0.000 0.000) 4.880 3.902 ( 3.869 0.000 0.000) 3.869 3.960 ( 3.577 0.000 0.000) 3.577 4.071 ( 7.925 0.000 0.000) 7.925 4.273 ( 5.402 0.000 0.000) 5.402 4.338 ( 6.664 0.000 0.000) 6.664 4.401 ( 5.923 0.000 0.000) 5.923 4.539 ( 6.709 0.000 0.000) 6.709 4.587 ( 7.949 0.000 0.000) 7.949 4.617 ( 9.682 0.000 0.000) 9.682 4.821 ( 8.560 0.000 0.000) 8.560 4.977 ( 3.123 0.000 0.000) 3.123 5.146 ( 15.439 0.000 0.000) 15.439 5.177 ( 16.187 0.000 0.000) 16.187 5.234 ( 7.095 0.000 0.000) 7.095 5.341 ( 22.732 0.000 0.000) 22.732 5.410 ( 8.618 0.000 0.000) 8.618 5.514 ( 6.209 0.000 0.000) 6.209 5.529 ( 2.374 0.000 0.000) 2.374 5.609 ( 2.534 0.000 0.000) 2.534 5.642 ( 11.191 0.000 0.000) 11.191 5.796 ( 12.563 0.000 0.000) 12.563 6.002 ( 4.216 0.000 0.000) 4.216 6.087 ( 6.540 0.000 0.000) 6.540 6.196 ( 5.370 0.000 0.000) 5.370 6.256 ( -4.572 0.000 0.000) 4.572 6.375 ( 6.053 0.000 0.000) 6.053 6.658 ( -2.480 0.000 0.000) 2.480 6.884 ( -5.354 0.000 0.000) 5.354 6.885 ( 9.049 0.000 0.000) 9.049 6.897 ( 2.459 0.000 0.000) 2.459 7.028 ( -4.715 0.000 0.000) 4.715 7.056 ( 4.904 0.000 0.000) 4.904 7.150 ( 8.878 0.000 0.000) 8.878 7.251 ( 24.904 0.000 0.000) 24.904 7.252 ( 12.429 0.000 0.000) 12.429 7.327 ( 17.748 0.000 0.000) 17.748 7.569 ( 10.456 0.000 0.000) 10.456 7.675 ( 2.178 0.000 0.000) 2.178 7.733 ( 7.513 0.000 0.000) 7.513 7.798 ( 0.152 0.000 0.000) 0.152 7.908 ( 0.442 0.000 0.000) 0.442 7.916 ( 13.119 0.000 0.000) 13.119 8.010 ( 2.898 0.000 0.000) 2.898 8.081 ( 30.299 0.000 0.000) 30.299 8.093 ( 26.219 0.000 0.000) 26.219 8.188 ( 8.686 0.000 0.000) 8.686 8.234 ( 9.348 0.000 0.000) 9.348 8.333 ( 9.143 0.000 0.000) 9.143 8.374 ( 21.222 0.000 0.000) 21.222 8.629 ( 21.642 0.000 0.000) 21.642 8.813 ( 30.516 0.000 0.000) 30.516 8.829 ( 34.952 0.000 0.000) 34.952 8.978 ( -8.469 0.000 0.000) 8.469 9.149 ( -9.267 0.000 0.000) 9.267 9.243 ( -4.808 0.000 0.000) 4.808 9.433 ( -11.875 0.000 0.000) 11.875 9.701 ( -2.850 0.000 0.000) 2.850 9.819 ( 2.911 0.000 0.000) 2.911 10.041 ( 0.079 0.000 0.000) 0.079 10.053 ( 2.213 0.000 0.000) 2.213 10.082 ( 0.818 0.000 0.000) 0.818 10.139 ( 4.850 0.000 0.000) 4.850 10.193 ( 1.627 0.000 0.000) 1.627 10.325 ( 5.142 0.000 0.000) 5.142 10.395 ( 3.969 0.000 0.000) 3.969 10.468 ( 4.689 0.000 0.000) 4.689 10.584 ( 7.633 0.000 0.000) 7.633 10.612 ( -3.954 0.000 0.000) 3.954 10.640 ( 2.140 0.000 0.000) 2.140 10.690 ( -1.559 0.000 0.000) 1.559 10.803 ( 1.016 0.000 0.000) 1.016 10.911 ( 8.216 0.000 0.000) 8.216 10.997 ( 4.026 0.000 0.000) 4.026 11.040 ( 2.104 0.000 0.000) 2.104 11.106 ( 1.492 0.000 0.000) 1.492 11.149 ( 2.956 0.000 0.000) 2.956 11.163 ( 3.221 0.000 0.000) 3.221 11.224 ( 2.762 0.000 0.000) 2.762 11.259 ( -0.383 0.000 0.000) 0.383 11.345 ( 6.092 0.000 0.000) 6.092 11.508 ( 21.643 0.000 0.000) 21.643 11.525 ( 6.180 0.000 0.000) 6.180 11.593 ( 18.363 0.000 0.000) 18.363 11.620 ( 17.962 0.000 0.000) 17.962 11.671 ( 0.550 0.000 0.000) 0.550 11.802 ( 6.049 0.000 0.000) 6.049 12.106 ( 21.996 0.000 0.000) 21.996 12.124 ( 16.641 0.000 0.000) 16.641 12.311 ( 14.740 0.000 0.000) 14.740 12.314 ( 7.529 0.000 0.000) 7.529 12.424 ( 13.396 0.000 0.000) 13.396 12.606 ( 10.767 0.000 0.000) 10.767 12.642 ( 7.825 0.000 0.000) 7.825 12.714 ( 9.519 0.000 0.000) 9.519 12.853 ( 7.070 0.000 0.000) 7.070 12.893 ( 8.360 0.000 0.000) 8.360 13.075 ( -1.355 0.000 0.000) 1.355 13.170 ( 1.179 0.000 0.000) 1.179 13.317 ( -7.822 0.000 0.000) 7.822 13.344 ( -5.621 0.000 0.000) 5.621 13.508 ( -9.040 0.000 0.000) 9.040 13.684 ( -12.380 0.000 0.000) 12.380 13.776 ( -4.371 0.000 0.000) 4.371 13.954 ( -4.419 0.000 0.000) 4.419 14.007 ( -10.960 0.000 0.000) 10.960 14.054 ( -7.504 0.000 0.000) 7.504 14.292 ( -8.736 0.000 0.000) 8.736 14.390 ( -0.210 0.000 0.000) 0.210 14.530 ( -9.561 0.000 0.000) 9.561 14.836 ( -7.156 0.000 0.000) 7.156 15.079 ( -8.499 0.000 0.000) 8.499 15.193 ( -4.605 0.000 0.000) 4.605 15.492 ( -0.451 0.000 0.000) 0.451 16.011 ( -10.269 0.000 0.000) 10.269 16.025 ( -11.567 0.000 0.000) 11.567 16.217 ( -9.423 0.000 0.000) 9.423 16.322 ( -9.873 0.000 0.000) 9.873 16.505 ( -14.312 0.000 0.000) 14.312 ======================= Grid point 6 (7/54) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.421 ( 6.266 0.000 0.000) 6.266 2.666 ( 4.649 0.000 0.000) 4.649 2.937 ( 5.206 0.000 0.000) 5.206 3.002 ( 5.332 0.000 0.000) 5.332 3.231 ( 10.892 0.000 0.000) 10.892 3.350 ( 5.216 0.000 0.000) 5.216 3.430 ( 12.308 0.000 0.000) 12.308 3.552 ( 3.401 0.000 0.000) 3.401 3.705 ( 9.379 0.000 0.000) 9.379 3.830 ( 3.106 0.000 0.000) 3.106 3.899 ( 1.834 0.000 0.000) 1.834 3.911 ( 13.063 0.000 0.000) 13.063 3.951 ( 13.183 0.000 0.000) 13.183 3.993 ( 8.473 0.000 0.000) 8.473 4.041 ( 8.192 0.000 0.000) 8.192 4.068 ( 8.092 0.000 0.000) 8.092 4.241 ( 10.264 0.000 0.000) 10.264 4.393 ( 6.626 0.000 0.000) 6.626 4.468 ( 7.074 0.000 0.000) 7.074 4.511 ( 4.897 0.000 0.000) 4.897 4.593 ( 2.748 0.000 0.000) 2.748 4.712 ( 1.383 0.000 0.000) 1.383 4.742 ( 4.711 0.000 0.000) 4.711 4.952 ( 3.790 0.000 0.000) 3.790 5.004 ( 1.285 0.000 0.000) 1.285 5.176 ( -6.776 0.000 0.000) 6.776 5.342 ( -1.658 0.000 0.000) 1.658 5.382 ( 9.765 0.000 0.000) 9.765 5.479 ( -5.191 0.000 0.000) 5.191 5.491 ( 9.883 0.000 0.000) 9.883 5.578 ( 5.659 0.000 0.000) 5.659 5.735 ( 6.821 0.000 0.000) 6.821 5.824 ( 13.457 0.000 0.000) 13.457 5.884 ( 8.840 0.000 0.000) 8.840 5.983 ( 5.650 0.000 0.000) 5.650 6.006 ( -1.933 0.000 0.000) 1.933 6.209 ( 2.782 0.000 0.000) 2.782 6.240 ( 4.902 0.000 0.000) 4.902 6.316 ( 4.926 0.000 0.000) 4.926 6.537 ( 9.130 0.000 0.000) 9.130 6.636 ( 2.944 0.000 0.000) 2.944 6.703 ( -9.323 0.000 0.000) 9.323 6.901 ( -6.149 0.000 0.000) 6.149 6.932 ( 2.424 0.000 0.000) 2.424 7.035 ( 6.333 0.000 0.000) 6.333 7.102 ( -4.344 0.000 0.000) 4.344 7.147 ( 4.888 0.000 0.000) 4.888 7.266 ( -10.843 0.000 0.000) 10.843 7.469 ( -11.300 0.000 0.000) 11.300 7.493 ( -3.698 0.000 0.000) 3.698 7.607 ( 12.079 0.000 0.000) 12.079 7.736 ( 4.236 0.000 0.000) 4.236 7.824 ( 4.307 0.000 0.000) 4.307 7.843 ( -1.686 0.000 0.000) 1.686 8.002 ( -7.163 0.000 0.000) 7.163 8.058 ( 10.297 0.000 0.000) 10.297 8.119 ( 17.734 0.000 0.000) 17.734 8.285 ( 13.155 0.000 0.000) 13.155 8.484 ( 4.168 0.000 0.000) 4.168 8.572 ( 18.256 0.000 0.000) 18.256 8.618 ( 22.139 0.000 0.000) 22.139 8.723 ( 20.570 0.000 0.000) 20.570 8.883 ( 3.268 0.000 0.000) 3.268 8.887 ( 26.228 0.000 0.000) 26.228 8.986 ( 0.751 0.000 0.000) 0.751 9.123 ( 18.003 0.000 0.000) 18.003 9.155 ( 6.467 0.000 0.000) 6.467 9.213 ( -8.141 0.000 0.000) 8.141 9.470 ( 22.308 0.000 0.000) 22.308 9.498 ( 27.592 0.000 0.000) 27.592 9.652 ( -1.366 0.000 0.000) 1.366 9.859 ( 1.429 0.000 0.000) 1.429 10.051 ( 1.435 0.000 0.000) 1.435 10.107 ( 2.039 0.000 0.000) 2.039 10.115 ( 3.090 0.000 0.000) 3.090 10.249 ( 4.366 0.000 0.000) 4.366 10.252 ( 6.102 0.000 0.000) 6.102 10.353 ( 1.525 0.000 0.000) 1.525 10.461 ( 0.011 0.000 0.000) 0.011 10.493 ( -1.490 0.000 0.000) 1.490 10.562 ( -0.441 0.000 0.000) 0.441 10.598 ( -0.092 0.000 0.000) 0.092 10.645 ( 0.323 0.000 0.000) 0.323 10.749 ( 4.550 0.000 0.000) 4.550 10.805 ( -0.567 0.000 0.000) 0.567 10.946 ( -2.870 0.000 0.000) 2.870 10.994 ( -3.801 0.000 0.000) 3.801 10.995 ( -2.308 0.000 0.000) 2.308 11.066 ( -6.554 0.000 0.000) 6.554 11.087 ( -4.089 0.000 0.000) 4.089 11.216 ( 5.849 0.000 0.000) 5.849 11.304 ( 2.179 0.000 0.000) 2.179 11.356 ( -1.925 0.000 0.000) 1.925 11.359 ( 9.738 0.000 0.000) 9.738 11.673 ( 0.563 0.000 0.000) 0.563 11.707 ( 5.492 0.000 0.000) 5.492 11.860 ( 1.291 0.000 0.000) 1.291 11.914 ( 15.009 0.000 0.000) 15.009 11.988 ( 18.916 0.000 0.000) 18.916 12.010 ( 23.201 0.000 0.000) 23.201 12.380 ( 2.983 0.000 0.000) 2.983 12.433 ( 11.981 0.000 0.000) 11.981 12.438 ( 3.567 0.000 0.000) 3.567 12.528 ( 14.084 0.000 0.000) 14.084 12.666 ( -2.288 0.000 0.000) 2.288 12.707 ( 11.644 0.000 0.000) 11.644 12.765 ( 6.453 0.000 0.000) 6.453 12.889 ( 7.557 0.000 0.000) 7.557 13.011 ( 8.227 0.000 0.000) 8.227 13.062 ( 4.495 0.000 0.000) 4.495 13.114 ( 6.247 0.000 0.000) 6.247 13.159 ( -4.436 0.000 0.000) 4.436 13.243 ( 2.745 0.000 0.000) 2.745 13.280 ( 2.140 0.000 0.000) 2.140 13.387 ( -3.095 0.000 0.000) 3.095 13.484 ( -7.176 0.000 0.000) 7.176 13.702 ( -3.511 0.000 0.000) 3.511 13.825 ( -6.394 0.000 0.000) 6.394 13.902 ( -2.573 0.000 0.000) 2.573 13.978 ( -1.284 0.000 0.000) 1.284 14.172 ( -4.021 0.000 0.000) 4.021 14.369 ( -4.162 0.000 0.000) 4.162 14.427 ( 0.004 0.000 0.000) 0.004 14.665 ( -10.056 0.000 0.000) 10.056 14.976 ( -2.643 0.000 0.000) 2.643 15.146 ( -0.560 0.000 0.000) 0.560 15.497 ( 1.107 0.000 0.000) 1.107 15.808 ( -9.617 0.000 0.000) 9.617 15.845 ( -7.536 0.000 0.000) 7.536 16.056 ( -7.107 0.000 0.000) 7.107 16.163 ( -6.447 0.000 0.000) 6.447 16.262 ( -10.614 0.000 0.000) 10.614 ======================= Grid point 7 (8/54) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.509 ( 2.919 0.000 0.000) 2.919 2.732 ( 2.240 0.000 0.000) 2.240 3.007 ( 2.182 0.000 0.000) 2.182 3.094 ( 3.764 0.000 0.000) 3.764 3.385 ( 5.204 0.000 0.000) 5.204 3.424 ( 2.400 0.000 0.000) 2.400 3.594 ( 1.200 0.000 0.000) 1.200 3.608 ( 6.209 0.000 0.000) 6.209 3.854 ( 5.501 0.000 0.000) 5.501 3.865 ( 0.830 0.000 0.000) 0.830 3.907 ( -0.133 0.000 0.000) 0.133 4.090 ( 3.618 0.000 0.000) 3.618 4.115 ( 6.970 0.000 0.000) 6.970 4.157 ( 6.564 0.000 0.000) 6.564 4.186 ( 5.887 0.000 0.000) 5.887 4.233 ( 6.992 0.000 0.000) 6.992 4.476 ( 12.146 0.000 0.000) 12.146 4.508 ( 5.035 0.000 0.000) 5.035 4.577 ( 2.416 0.000 0.000) 2.416 4.606 ( 5.142 0.000 0.000) 5.142 4.662 ( 3.274 0.000 0.000) 3.274 4.707 ( -0.396 0.000 0.000) 0.396 4.754 ( -3.082 0.000 0.000) 3.082 4.982 ( 0.014 0.000 0.000) 0.014 5.054 ( 3.774 0.000 0.000) 3.774 5.075 ( -3.010 0.000 0.000) 3.010 5.293 ( -1.682 0.000 0.000) 1.682 5.356 ( -5.958 0.000 0.000) 5.958 5.541 ( 5.492 0.000 0.000) 5.492 5.663 ( 5.525 0.000 0.000) 5.525 5.696 ( 6.576 0.000 0.000) 6.576 5.735 ( -2.677 0.000 0.000) 2.677 5.915 ( -2.363 0.000 0.000) 2.363 5.989 ( 2.523 0.000 0.000) 2.523 6.024 ( 2.344 0.000 0.000) 2.344 6.041 ( 1.728 0.000 0.000) 1.728 6.270 ( -0.016 0.000 0.000) 0.016 6.275 ( -2.523 0.000 0.000) 2.523 6.358 ( 3.466 0.000 0.000) 3.466 6.607 ( -0.931 0.000 0.000) 0.931 6.638 ( 2.552 0.000 0.000) 2.552 6.780 ( 5.376 0.000 0.000) 5.376 6.804 ( -1.150 0.000 0.000) 1.150 6.933 ( -2.673 0.000 0.000) 2.673 7.028 ( -9.113 0.000 0.000) 9.113 7.087 ( 2.503 0.000 0.000) 2.503 7.146 ( 2.617 0.000 0.000) 2.617 7.224 ( 2.056 0.000 0.000) 2.056 7.328 ( -2.213 0.000 0.000) 2.213 7.440 ( -0.726 0.000 0.000) 0.726 7.682 ( -1.667 0.000 0.000) 1.667 7.684 ( -5.016 0.000 0.000) 5.016 7.901 ( 6.517 0.000 0.000) 6.517 7.933 ( 4.422 0.000 0.000) 4.422 7.964 ( 3.757 0.000 0.000) 3.757 8.172 ( 0.119 0.000 0.000) 0.119 8.330 ( -0.395 0.000 0.000) 0.395 8.339 ( -4.533 0.000 0.000) 4.533 8.499 ( 4.215 0.000 0.000) 4.215 8.867 ( 10.954 0.000 0.000) 10.954 8.898 ( 5.193 0.000 0.000) 5.193 8.962 ( 6.811 0.000 0.000) 6.811 9.045 ( 11.241 0.000 0.000) 11.241 9.062 ( -5.011 0.000 0.000) 5.011 9.130 ( 12.270 0.000 0.000) 12.270 9.292 ( 12.992 0.000 0.000) 12.992 9.360 ( 10.197 0.000 0.000) 10.197 9.371 ( 5.869 0.000 0.000) 5.869 9.630 ( 1.035 0.000 0.000) 1.035 9.782 ( 6.708 0.000 0.000) 6.708 9.853 ( 8.071 0.000 0.000) 8.071 9.890 ( 3.163 0.000 0.000) 3.163 10.108 ( 3.916 0.000 0.000) 3.916 10.150 ( 1.718 0.000 0.000) 1.718 10.153 ( 1.251 0.000 0.000) 1.251 10.264 ( -2.492 0.000 0.000) 2.492 10.342 ( 2.481 0.000 0.000) 2.481 10.431 ( -0.907 0.000 0.000) 0.907 10.467 ( -0.019 0.000 0.000) 0.019 10.501 ( 10.765 0.000 0.000) 10.765 10.586 ( 2.392 0.000 0.000) 2.392 10.643 ( 0.072 0.000 0.000) 0.072 10.656 ( 3.855 0.000 0.000) 3.855 10.788 ( -0.803 0.000 0.000) 0.803 10.813 ( 0.172 0.000 0.000) 0.172 10.876 ( -0.729 0.000 0.000) 0.729 10.914 ( -3.507 0.000 0.000) 3.507 10.941 ( -2.721 0.000 0.000) 2.721 11.018 ( 0.572 0.000 0.000) 0.572 11.054 ( 0.140 0.000 0.000) 0.140 11.224 ( -3.636 0.000 0.000) 3.636 11.320 ( 0.004 0.000 0.000) 0.004 11.427 ( 8.238 0.000 0.000) 8.238 11.576 ( 11.052 0.000 0.000) 11.052 11.694 ( 2.660 0.000 0.000) 2.660 11.717 ( -3.685 0.000 0.000) 3.685 11.848 ( -1.443 0.000 0.000) 1.443 12.133 ( 6.203 0.000 0.000) 6.203 12.249 ( -6.391 0.000 0.000) 6.391 12.289 ( 10.674 0.000 0.000) 10.674 12.359 ( -2.890 0.000 0.000) 2.890 12.431 ( 8.305 0.000 0.000) 8.305 12.598 ( -2.942 0.000 0.000) 2.942 12.644 ( 8.734 0.000 0.000) 8.734 12.798 ( 10.904 0.000 0.000) 10.904 12.842 ( 3.874 0.000 0.000) 3.874 12.912 ( 6.043 0.000 0.000) 6.043 13.010 ( 4.429 0.000 0.000) 4.429 13.070 ( -1.754 0.000 0.000) 1.754 13.096 ( -2.155 0.000 0.000) 2.155 13.146 ( 5.287 0.000 0.000) 5.287 13.236 ( 4.879 0.000 0.000) 4.879 13.260 ( -0.893 0.000 0.000) 0.893 13.348 ( 2.485 0.000 0.000) 2.485 13.424 ( 4.980 0.000 0.000) 4.980 13.465 ( 3.494 0.000 0.000) 3.494 13.637 ( -2.801 0.000 0.000) 2.801 13.744 ( -1.897 0.000 0.000) 1.897 13.866 ( -1.138 0.000 0.000) 1.138 13.973 ( 0.352 0.000 0.000) 0.352 14.127 ( -0.829 0.000 0.000) 0.829 14.291 ( -3.315 0.000 0.000) 3.315 14.436 ( 0.274 0.000 0.000) 0.274 14.477 ( -8.423 0.000 0.000) 8.423 14.948 ( -0.657 0.000 0.000) 0.657 15.157 ( 1.212 0.000 0.000) 1.212 15.532 ( 2.176 0.000 0.000) 2.176 15.650 ( -6.311 0.000 0.000) 6.311 15.733 ( -3.949 0.000 0.000) 3.949 15.943 ( -4.463 0.000 0.000) 4.463 16.071 ( -3.089 0.000 0.000) 3.089 16.096 ( -6.187 0.000 0.000) 6.187 ======================= Grid point 8 (9/54) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.537 ( 0.000 0.000 0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.436 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.605 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.897 ( -0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.125 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.218 ( -0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.312 ( 0.000 0.000 0.000) 0.000 4.584 ( -0.000 0.000 0.000) 0.000 4.595 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.670 ( -0.000 0.000 0.000) 0.000 4.694 ( 0.000 0.000 0.000) 0.000 4.735 ( 0.000 0.000 0.000) 0.000 4.973 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.285 ( 0.000 0.000 0.000) 0.000 5.591 ( 0.000 0.000 0.000) 0.000 5.655 ( 0.000 0.000 0.000) 0.000 5.759 ( 0.000 0.000 0.000) 0.000 5.789 ( 0.000 0.000 0.000) 0.000 5.872 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.209 ( 0.000 0.000 0.000) 0.000 6.265 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.604 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.742 ( 0.000 0.000 0.000) 0.000 6.890 ( 0.000 0.000 0.000) 0.000 6.897 ( 0.000 0.000 0.000) 0.000 6.915 ( -0.000 0.000 0.000) 0.000 7.118 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.628 ( 0.000 0.000 0.000) 0.000 7.651 ( -0.000 0.000 0.000) 0.000 8.003 ( 0.000 0.000 0.000) 0.000 8.010 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.096 ( -0.000 0.000 0.000) 0.000 8.258 ( 0.000 0.000 0.000) 0.000 8.311 ( 0.000 0.000 0.000) 0.000 8.553 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.009 ( 0.000 0.000 0.000) 0.000 9.030 ( -0.000 0.000 0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.315 ( 0.000 0.000 0.000) 0.000 9.380 ( 0.000 0.000 0.000) 0.000 9.409 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 9.889 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 10.169 ( -0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.222 ( 0.000 0.000 0.000) 0.000 10.351 ( 0.000 0.000 0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 10.613 ( 0.000 0.000 0.000) 0.000 10.626 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.831 ( 0.000 0.000 0.000) 0.000 10.880 ( 0.000 0.000 0.000) 0.000 10.888 ( -0.000 0.000 0.000) 0.000 10.898 ( 0.000 0.000 0.000) 0.000 11.031 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.178 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.576 ( -0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 0.000) 0.000 11.661 ( 0.000 0.000 0.000) 0.000 11.822 ( 0.000 0.000 0.000) 0.000 11.832 ( 0.000 0.000 0.000) 0.000 12.034 ( -0.000 0.000 0.000) 0.000 12.240 ( 0.000 0.000 0.000) 0.000 12.324 ( 0.000 0.000 0.000) 0.000 12.393 ( 0.000 0.000 0.000) 0.000 12.512 ( 0.000 0.000 0.000) 0.000 12.593 ( 0.000 0.000 0.000) 0.000 12.740 ( 0.000 0.000 0.000) 0.000 12.873 ( 0.000 0.000 0.000) 0.000 12.929 ( 0.000 0.000 0.000) 0.000 12.975 ( 0.000 0.000 0.000) 0.000 12.995 ( -0.000 0.000 0.000) 0.000 13.069 ( 0.000 0.000 0.000) 0.000 13.085 ( 0.000 0.000 0.000) 0.000 13.202 ( 0.000 0.000 0.000) 0.000 13.250 ( 0.000 0.000 0.000) 0.000 13.283 ( 0.000 0.000 0.000) 0.000 13.391 ( -0.000 0.000 0.000) 0.000 13.481 ( 0.000 0.000 0.000) 0.000 13.486 ( 0.000 0.000 0.000) 0.000 13.616 ( 0.000 0.000 0.000) 0.000 13.733 ( 0.000 0.000 0.000) 0.000 13.858 ( 0.000 0.000 0.000) 0.000 13.980 ( 0.000 0.000 0.000) 0.000 14.125 ( -0.000 0.000 0.000) 0.000 14.254 ( 0.000 0.000 0.000) 0.000 14.383 ( 0.000 0.000 0.000) 0.000 14.438 ( 0.000 0.000 0.000) 0.000 14.942 ( 0.000 0.000 0.000) 0.000 15.173 ( 0.000 0.000 0.000) 0.000 15.559 ( 0.000 0.000 0.000) 0.000 15.584 ( 0.000 0.000 0.000) 0.000 15.694 ( 0.000 0.000 0.000) 0.000 15.895 ( 0.000 0.000 0.000) 0.000 16.034 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 17 (10/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 0.000 33.008 0.000) 33.008 0.647 ( 0.000 33.870 0.000) 33.870 1.203 ( 0.000 64.098 0.000) 64.098 1.309 ( 0.000 9.630 0.000) 9.630 1.730 ( 0.000 0.614 0.000) 0.614 1.859 ( 0.000 18.856 0.000) 18.856 1.898 ( 0.000 -3.116 0.000) 3.116 1.985 ( 0.000 -11.113 0.000) 11.113 2.158 ( 0.000 -4.644 0.000) 4.644 2.279 ( 0.000 -6.213 0.000) 6.213 2.445 ( 0.000 -4.497 0.000) 4.497 2.498 ( 0.000 -5.465 0.000) 5.465 2.838 ( 0.000 -6.569 0.000) 6.569 2.881 ( 0.000 -5.975 0.000) 5.975 2.958 ( 0.000 2.704 0.000) 2.704 3.020 ( 0.000 -23.755 0.000) 23.755 3.138 ( 0.000 0.476 0.000) 0.476 3.302 ( 0.000 -1.411 0.000) 1.411 3.468 ( 0.000 3.134 0.000) 3.134 3.478 ( 0.000 -2.546 0.000) 2.546 3.516 ( 0.000 2.331 0.000) 2.331 3.578 ( 0.000 -9.022 0.000) 9.022 3.683 ( 0.000 11.465 0.000) 11.465 3.736 ( 0.000 2.232 0.000) 2.232 3.821 ( 0.000 1.047 0.000) 1.047 3.857 ( 0.000 7.193 0.000) 7.193 4.021 ( 0.000 -2.135 0.000) 2.135 4.066 ( 0.000 8.848 0.000) 8.848 4.075 ( 0.000 -1.821 0.000) 1.821 4.158 ( 0.000 1.132 0.000) 1.132 4.178 ( 0.000 3.233 0.000) 3.233 4.217 ( 0.000 2.088 0.000) 2.088 4.286 ( 0.000 6.354 0.000) 6.354 4.420 ( 0.000 -22.709 0.000) 22.709 4.619 ( 0.000 0.598 0.000) 0.598 4.648 ( 0.000 -8.877 0.000) 8.877 4.676 ( 0.000 1.787 0.000) 1.787 4.822 ( 0.000 0.957 0.000) 0.957 4.980 ( 0.000 -0.761 0.000) 0.761 4.991 ( 0.000 0.488 0.000) 0.488 5.004 ( 0.000 -0.713 0.000) 0.713 5.155 ( 0.000 -3.802 0.000) 3.802 5.372 ( 0.000 8.467 0.000) 8.467 5.877 ( 0.000 -10.557 0.000) 10.557 5.993 ( 0.000 -4.859 0.000) 4.859 6.165 ( 0.000 -3.647 0.000) 3.647 6.334 ( 0.000 -0.945 0.000) 0.945 6.483 ( 0.000 -15.499 0.000) 15.499 6.633 ( 0.000 6.376 0.000) 6.376 6.846 ( 0.000 3.136 0.000) 3.136 7.016 ( 0.000 3.669 0.000) 3.669 7.117 ( 0.000 2.146 0.000) 2.146 7.260 ( 0.000 0.118 0.000) 0.118 7.277 ( 0.000 0.013 0.000) 0.013 7.407 ( 0.000 -0.812 0.000) 0.812 7.513 ( 0.000 8.505 0.000) 8.505 7.704 ( 0.000 -6.335 0.000) 6.335 7.848 ( 0.000 -1.716 0.000) 1.716 8.051 ( 0.000 6.854 0.000) 6.854 8.262 ( 0.000 -1.885 0.000) 1.885 8.272 ( 0.000 -0.213 0.000) 0.213 8.278 ( 0.000 -0.138 0.000) 0.138 8.419 ( 0.000 -4.663 0.000) 4.663 8.525 ( 0.000 -10.252 0.000) 10.252 8.794 ( 0.000 2.732 0.000) 2.732 8.942 ( 0.000 -0.016 0.000) 0.016 8.953 ( 0.000 -0.059 0.000) 0.059 8.959 ( 0.000 -4.171 0.000) 4.171 9.032 ( 0.000 4.593 0.000) 4.593 9.192 ( 0.000 5.593 0.000) 5.593 9.308 ( 0.000 5.404 0.000) 5.404 9.373 ( 0.000 1.005 0.000) 1.005 9.449 ( 0.000 0.703 0.000) 0.703 9.531 ( 0.000 0.087 0.000) 0.087 9.622 ( 0.000 -0.234 0.000) 0.234 9.696 ( 0.000 -1.575 0.000) 1.575 9.763 ( 0.000 -0.940 0.000) 0.940 9.792 ( 0.000 -1.400 0.000) 1.400 9.792 ( 0.000 3.768 0.000) 3.768 9.878 ( 0.000 -1.663 0.000) 1.663 9.921 ( 0.000 1.496 0.000) 1.496 9.939 ( 0.000 0.058 0.000) 0.058 10.055 ( 0.000 0.319 0.000) 0.319 10.057 ( 0.000 0.316 0.000) 0.316 10.100 ( 0.000 -0.675 0.000) 0.675 10.130 ( 0.000 5.896 0.000) 5.896 10.283 ( 0.000 3.377 0.000) 3.377 10.315 ( 0.000 -0.538 0.000) 0.538 10.354 ( 0.000 0.344 0.000) 0.344 10.361 ( 0.000 5.275 0.000) 5.275 10.417 ( 0.000 -3.590 0.000) 3.590 10.457 ( 0.000 3.293 0.000) 3.293 10.547 ( 0.000 -0.049 0.000) 0.049 10.610 ( 0.000 0.064 0.000) 0.064 10.762 ( 0.000 -2.795 0.000) 2.795 10.913 ( 0.000 1.140 0.000) 1.140 10.981 ( 0.000 -0.043 0.000) 0.043 11.002 ( 0.000 -0.100 0.000) 0.100 11.091 ( 0.000 -2.430 0.000) 2.430 11.183 ( 0.000 3.728 0.000) 3.728 11.301 ( 0.000 3.285 0.000) 3.285 11.432 ( 0.000 0.098 0.000) 0.098 11.436 ( 0.000 0.115 0.000) 0.115 11.440 ( 0.000 -6.295 0.000) 6.295 11.525 ( 0.000 1.076 0.000) 1.076 11.739 ( 0.000 3.635 0.000) 3.635 12.276 ( 0.000 3.095 0.000) 3.095 12.458 ( 0.000 -8.374 0.000) 8.374 12.562 ( 0.000 -4.464 0.000) 4.464 12.772 ( 0.000 1.600 0.000) 1.600 12.822 ( 0.000 6.086 0.000) 6.086 13.139 ( 0.000 -6.860 0.000) 6.860 13.640 ( 0.000 0.873 0.000) 0.873 13.998 ( 0.000 -4.299 0.000) 4.299 14.354 ( 0.000 0.220 0.000) 0.220 14.434 ( 0.000 4.279 0.000) 4.279 14.560 ( 0.000 6.878 0.000) 6.878 14.659 ( 0.000 1.773 0.000) 1.773 14.920 ( 0.000 2.174 0.000) 2.174 15.080 ( 0.000 0.326 0.000) 0.326 15.266 ( 0.000 -10.161 0.000) 10.161 15.439 ( 0.000 -3.444 0.000) 3.444 15.576 ( 0.000 0.891 0.000) 0.891 15.697 ( 0.000 -0.128 0.000) 0.128 15.849 ( 0.000 7.094 0.000) 7.094 16.012 ( 0.000 -2.261 0.000) 2.261 16.113 ( 0.000 3.204 0.000) 3.204 16.387 ( 0.000 -6.336 0.000) 6.336 17.168 ( 0.000 7.062 0.000) 7.062 17.484 ( 0.000 1.796 0.000) 1.796 17.680 ( 0.000 -3.052 0.000) 3.052 18.021 ( 0.000 -2.423 0.000) 2.423 ======================= Grid point 18 (11/54) ======================= q-point: ( 0.06 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( 17.166 24.621 0.000) 30.015 1.003 ( 19.968 32.695 0.000) 38.311 1.660 ( 40.299 20.498 0.000) 45.213 1.706 ( 37.584 19.025 0.000) 42.125 1.913 ( 7.481 2.929 0.000) 8.034 1.943 ( 9.859 10.327 0.000) 14.278 2.079 ( 16.090 -7.560 0.000) 17.778 2.196 ( 23.665 -2.438 0.000) 23.790 2.220 ( 12.707 -2.368 0.000) 12.926 2.475 ( 5.328 -2.863 0.000) 6.048 2.508 ( 14.669 -4.167 0.000) 15.250 2.685 ( 20.983 -5.218 0.000) 21.622 2.877 ( 6.321 -1.258 0.000) 6.445 3.015 ( 2.037 -20.108 0.000) 20.211 3.069 ( 14.915 -5.664 0.000) 15.954 3.097 ( 7.039 -4.546 0.000) 8.379 3.159 ( 7.477 -1.274 0.000) 7.584 3.277 ( -0.246 1.107 0.000) 1.134 3.492 ( 3.177 -0.794 0.000) 3.275 3.550 ( 1.297 -6.135 0.000) 6.271 3.640 ( 6.717 5.952 0.000) 8.975 3.694 ( 6.159 5.626 0.000) 8.342 3.740 ( 18.763 0.424 0.000) 18.768 3.893 ( 13.033 0.929 0.000) 13.066 3.930 ( 7.705 5.617 0.000) 9.534 3.982 ( 11.869 0.997 0.000) 11.910 4.120 ( 12.167 8.089 0.000) 14.610 4.160 ( 2.479 3.893 0.000) 4.615 4.189 ( 7.478 -1.819 0.000) 7.696 4.220 ( 6.832 2.787 0.000) 7.379 4.302 ( 19.993 -0.620 0.000) 20.003 4.349 ( 16.581 -0.203 0.000) 16.582 4.506 ( 21.127 0.274 0.000) 21.129 4.580 ( 9.611 -4.709 0.000) 10.702 4.685 ( 14.691 -12.445 0.000) 19.253 4.820 ( 5.887 -0.263 0.000) 5.893 4.841 ( 15.966 0.342 0.000) 15.970 4.869 ( 17.026 -0.680 0.000) 17.040 5.002 ( 3.338 1.077 0.000) 3.508 5.134 ( 14.417 -0.455 0.000) 14.424 5.160 ( 14.164 -1.195 0.000) 14.215 5.232 ( 7.405 -3.521 0.000) 8.199 5.391 ( 5.502 6.293 0.000) 8.359 5.877 ( 0.609 -9.405 0.000) 9.425 5.962 ( -2.402 -5.277 0.000) 5.798 6.126 ( -2.815 -4.966 0.000) 5.709 6.309 ( -2.067 -0.595 0.000) 2.151 6.470 ( -0.981 -15.115 0.000) 15.147 6.616 ( -1.214 5.907 0.000) 6.031 6.811 ( -2.656 3.636 0.000) 4.503 6.995 ( -1.863 3.964 0.000) 4.380 7.073 ( -3.421 0.240 0.000) 3.429 7.348 ( -3.696 -0.423 0.000) 3.720 7.464 ( -2.641 6.173 0.000) 6.714 7.553 ( 4.495 1.052 0.000) 4.617 7.562 ( 25.732 0.481 0.000) 25.736 7.585 ( 7.756 -3.700 0.000) 8.594 7.809 ( -2.343 -1.586 0.000) 2.829 7.871 ( -10.258 16.664 0.000) 19.568 8.138 ( -6.609 4.406 0.000) 7.944 8.223 ( -8.557 -4.319 0.000) 9.585 8.367 ( -3.464 -5.017 0.000) 6.097 8.504 ( 20.170 0.310 0.000) 20.173 8.529 ( 17.005 -1.576 0.000) 17.078 8.715 ( -6.168 5.030 0.000) 7.959 8.865 ( -7.641 -3.564 0.000) 8.432 8.941 ( -7.323 5.947 0.000) 9.433 9.030 ( -4.519 1.161 0.000) 4.666 9.118 ( -1.760 4.319 0.000) 4.664 9.239 ( 8.048 3.361 0.000) 8.722 9.300 ( 16.124 -2.452 0.000) 16.310 9.481 ( -6.783 2.155 0.000) 7.117 9.537 ( 11.798 0.898 0.000) 11.833 9.585 ( 4.315 3.062 0.000) 5.291 9.702 ( 6.800 -0.363 0.000) 6.810 9.751 ( 1.466 -0.639 0.000) 1.600 9.797 ( 5.537 -0.493 0.000) 5.558 9.844 ( 7.610 1.165 0.000) 7.699 9.912 ( 5.956 -2.311 0.000) 6.389 9.968 ( 7.772 -0.655 0.000) 7.799 10.008 ( 7.625 -4.934 0.000) 9.082 10.059 ( 7.351 0.324 0.000) 7.358 10.109 ( 6.149 -0.488 0.000) 6.168 10.162 ( 6.736 -0.685 0.000) 6.771 10.185 ( 7.389 1.701 0.000) 7.582 10.209 ( 9.892 -0.875 0.000) 9.931 10.313 ( 3.649 -1.631 0.000) 3.997 10.347 ( -0.422 1.527 0.000) 1.584 10.401 ( 2.259 -0.523 0.000) 2.319 10.445 ( 9.253 -0.864 0.000) 9.293 10.495 ( 7.826 2.411 0.000) 8.189 10.513 ( 10.165 2.262 0.000) 10.414 10.628 ( 6.951 0.191 0.000) 6.953 10.659 ( 5.217 0.334 0.000) 5.228 10.814 ( 3.784 -2.717 0.000) 4.659 10.927 ( 2.483 -0.197 0.000) 2.491 11.038 ( 1.176 -1.878 0.000) 2.216 11.088 ( 7.557 -0.672 0.000) 7.587 11.135 ( 5.808 -1.361 0.000) 5.965 11.164 ( 0.070 3.164 0.000) 3.164 11.281 ( -0.355 2.533 0.000) 2.558 11.438 ( -0.594 -3.211 0.000) 3.265 11.473 ( 5.006 -0.073 0.000) 5.006 11.530 ( 6.783 2.108 0.000) 7.103 11.558 ( 4.412 -1.968 0.000) 4.831 11.773 ( 3.052 2.744 0.000) 4.104 12.316 ( 3.653 0.976 0.000) 3.781 12.454 ( -0.607 -7.821 0.000) 7.844 12.602 ( 1.178 -3.218 0.000) 3.427 12.815 ( -0.670 6.326 0.000) 6.361 12.896 ( 8.438 -5.099 0.000) 9.859 13.138 ( 0.053 -5.788 0.000) 5.789 13.605 ( -3.550 0.762 0.000) 3.631 13.951 ( -4.867 -3.985 0.000) 6.290 14.307 ( -4.779 0.314 0.000) 4.790 14.404 ( -3.323 3.503 0.000) 4.828 14.506 ( -5.584 6.709 0.000) 8.729 14.609 ( -4.867 2.340 0.000) 5.400 14.872 ( -5.381 1.466 0.000) 5.577 15.019 ( -6.127 0.772 0.000) 6.176 15.179 ( -8.793 -9.849 0.000) 13.203 15.403 ( -6.114 -7.358 0.000) 9.566 15.541 ( -3.902 0.355 0.000) 3.918 15.632 ( -7.188 -0.060 0.000) 7.189 15.771 ( -8.367 6.426 0.000) 10.550 15.939 ( -7.299 -2.498 0.000) 7.714 16.067 ( -6.224 -0.590 0.000) 6.252 16.394 ( 0.330 -12.488 0.000) 12.493 17.069 ( -9.468 5.627 0.000) 11.014 17.385 ( -15.157 5.216 0.000) 16.030 17.389 ( -14.768 5.823 0.000) 15.875 17.861 ( -12.972 -1.008 0.000) 13.012 ======================= Grid point 19 (12/54) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 25.948 12.846 0.000) 28.954 1.425 ( 24.385 26.384 0.000) 35.927 1.976 ( 4.347 -2.713 0.000) 5.124 2.088 ( 13.350 7.180 0.000) 15.158 2.318 ( 15.941 -4.646 0.000) 16.604 2.354 ( 20.600 1.923 0.000) 20.690 2.511 ( 5.275 -1.950 0.000) 5.624 2.632 ( 26.154 4.647 0.000) 26.563 2.735 ( 32.379 -0.992 0.000) 32.395 2.781 ( 40.633 4.835 0.000) 40.920 2.934 ( 25.037 -2.401 0.000) 25.151 3.071 ( 10.977 -15.001 0.000) 18.588 3.120 ( 8.587 -5.506 0.000) 10.201 3.182 ( 16.506 -0.370 0.000) 16.510 3.224 ( 24.885 -2.140 0.000) 24.977 3.253 ( 8.427 -2.637 0.000) 8.830 3.387 ( 6.945 -4.190 0.000) 8.111 3.480 ( 19.677 -2.895 0.000) 19.888 3.606 ( 7.661 -5.032 0.000) 9.166 3.674 ( 10.765 7.257 0.000) 12.982 3.767 ( 17.600 4.000 0.000) 18.049 3.873 ( 11.031 2.155 0.000) 11.240 3.957 ( 0.821 5.477 0.000) 5.538 4.035 ( 6.818 -1.647 0.000) 7.014 4.130 ( 5.387 0.695 0.000) 5.432 4.179 ( 4.058 -0.550 0.000) 4.095 4.315 ( 14.322 11.158 0.000) 18.156 4.448 ( 16.777 10.673 0.000) 19.884 4.498 ( 20.926 -0.254 0.000) 20.927 4.615 ( 28.663 1.497 0.000) 28.702 4.648 ( 11.484 -3.734 0.000) 12.076 4.808 ( 26.647 -1.713 0.000) 26.702 4.833 ( 19.439 -0.125 0.000) 19.439 4.848 ( 28.273 1.003 0.000) 28.291 5.062 ( 13.657 1.785 0.000) 13.773 5.178 ( 23.729 1.268 0.000) 23.763 5.230 ( 29.052 -0.072 0.000) 29.052 5.333 ( 27.952 -5.684 0.000) 28.524 5.363 ( 26.138 -8.855 0.000) 27.598 5.390 ( 26.892 2.124 0.000) 26.975 5.496 ( 16.039 -0.047 0.000) 16.039 5.565 ( 25.785 1.444 0.000) 25.826 5.694 ( 21.366 -1.985 0.000) 21.458 5.901 ( 1.246 -7.276 0.000) 7.381 5.998 ( 10.375 -5.753 0.000) 11.863 6.125 ( 7.575 -6.940 0.000) 10.274 6.287 ( 1.477 -0.847 0.000) 1.702 6.468 ( 1.710 -12.487 0.000) 12.604 6.606 ( 0.851 4.633 0.000) 4.711 6.771 ( -0.351 3.271 0.000) 3.290 6.953 ( -1.996 4.706 0.000) 5.112 7.026 ( -0.491 -3.697 0.000) 3.730 7.238 ( -6.569 -3.559 0.000) 7.471 7.324 ( -8.024 1.793 0.000) 8.222 7.435 ( -2.661 8.574 0.000) 8.978 7.667 ( -8.803 14.234 0.000) 16.736 7.691 ( -5.013 -2.926 0.000) 5.804 7.891 ( -5.028 6.016 0.000) 7.841 8.008 ( -8.572 -1.989 0.000) 8.800 8.215 ( 3.670 -3.420 0.000) 5.017 8.302 ( 27.725 -1.442 0.000) 27.762 8.366 ( 24.907 -5.006 0.000) 25.406 8.552 ( -0.636 6.081 0.000) 6.114 8.679 ( -9.451 0.973 0.000) 9.501 8.751 ( -8.477 3.952 0.000) 9.353 8.839 ( -4.462 1.967 0.000) 4.876 8.936 ( 0.858 -3.039 0.000) 3.158 9.043 ( 25.917 -0.604 0.000) 25.924 9.141 ( 17.484 4.229 0.000) 17.988 9.206 ( -10.047 2.888 0.000) 10.454 9.491 ( 7.886 0.564 0.000) 7.906 9.568 ( -2.112 3.990 0.000) 4.515 9.649 ( 0.725 1.323 0.000) 1.508 9.734 ( 16.948 -1.899 0.000) 17.054 9.754 ( -2.917 1.163 0.000) 3.140 9.838 ( 4.602 -2.505 0.000) 5.240 9.966 ( 11.293 1.569 0.000) 11.401 9.977 ( 6.460 2.503 0.000) 6.928 10.037 ( 4.659 0.564 0.000) 4.693 10.137 ( 4.245 6.382 0.000) 7.665 10.168 ( 6.037 -3.925 0.000) 7.201 10.204 ( 7.915 -0.279 0.000) 7.920 10.260 ( 12.006 -1.111 0.000) 12.057 10.275 ( 10.711 -0.906 0.000) 10.749 10.358 ( 6.965 -0.893 0.000) 7.022 10.405 ( 8.548 0.916 0.000) 8.597 10.435 ( 11.971 0.631 0.000) 11.987 10.460 ( 14.256 -0.713 0.000) 14.273 10.534 ( 12.170 -0.415 0.000) 12.177 10.619 ( 6.219 -0.647 0.000) 6.253 10.691 ( 10.225 -1.373 0.000) 10.317 10.773 ( 12.210 -1.355 0.000) 12.285 10.799 ( 11.509 -1.039 0.000) 11.556 10.831 ( 12.845 1.213 0.000) 12.902 10.899 ( 6.169 1.163 0.000) 6.278 11.000 ( 3.974 0.918 0.000) 4.079 11.060 ( 4.293 -1.205 0.000) 4.459 11.182 ( 3.861 1.433 0.000) 4.118 11.210 ( 2.595 -1.842 0.000) 3.182 11.261 ( 6.239 -3.489 0.000) 7.148 11.389 ( 10.827 0.749 0.000) 10.853 11.435 ( 1.853 2.183 0.000) 2.863 11.578 ( 4.091 -1.086 0.000) 4.233 11.664 ( 11.805 0.908 0.000) 11.840 11.743 ( 9.482 -0.205 0.000) 9.484 11.860 ( 7.446 0.978 0.000) 7.510 12.374 ( 0.666 -5.884 0.000) 5.922 12.455 ( 1.651 -4.186 0.000) 4.500 12.617 ( 1.033 1.358 0.000) 1.707 12.798 ( -0.870 6.998 0.000) 7.052 13.022 ( 4.039 -5.504 0.000) 6.827 13.159 ( 2.779 -1.533 0.000) 3.174 13.512 ( -5.551 0.838 0.000) 5.614 13.813 ( -9.053 -3.414 0.000) 9.675 14.173 ( -8.757 0.025 0.000) 8.757 14.306 ( -6.685 3.179 0.000) 7.402 14.345 ( -10.533 4.630 0.000) 11.505 14.480 ( -8.431 4.436 0.000) 9.527 14.716 ( -10.363 -0.265 0.000) 10.366 14.851 ( -11.066 1.387 0.000) 11.153 14.945 ( -14.079 -7.338 0.000) 15.877 15.179 ( -16.241 -8.019 0.000) 18.113 15.414 ( -12.596 1.444 0.000) 12.678 15.470 ( -5.078 0.186 0.000) 5.081 15.537 ( -14.391 6.394 0.000) 15.747 15.748 ( -11.677 -2.516 0.000) 11.945 15.881 ( -11.579 0.441 0.000) 11.587 16.368 ( -3.410 -14.924 0.000) 15.309 16.838 ( -13.443 2.405 0.000) 13.656 17.020 ( -17.765 6.274 0.000) 18.841 17.145 ( -14.556 2.224 0.000) 14.725 17.548 ( -18.654 -1.903 0.000) 18.751 ======================= Grid point 20 (13/54) ======================= q-point: ( 0.19 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 24.902 5.300 0.000) 25.460 1.886 ( 19.721 13.721 0.000) 24.025 2.138 ( 15.589 3.613 0.000) 16.002 2.366 ( 15.200 3.169 0.000) 15.527 2.532 ( 8.412 -7.304 0.000) 11.141 2.660 ( 8.679 0.414 0.000) 8.689 2.731 ( 19.610 2.831 0.000) 19.814 2.968 ( 9.143 -6.839 0.000) 11.418 3.051 ( 11.035 1.956 0.000) 11.207 3.175 ( 7.093 -4.890 0.000) 8.615 3.284 ( 10.461 -2.984 0.000) 10.878 3.351 ( 11.860 -10.529 0.000) 15.859 3.458 ( 10.624 0.031 0.000) 10.624 3.515 ( 13.479 -7.666 0.000) 15.507 3.595 ( 22.787 -1.280 0.000) 22.823 3.683 ( 8.305 2.931 0.000) 8.807 3.718 ( 29.388 1.511 0.000) 29.427 3.818 ( 25.571 -1.869 0.000) 25.639 3.901 ( 17.550 4.817 0.000) 18.199 3.997 ( 14.704 2.657 0.000) 14.942 4.052 ( 19.923 -0.518 0.000) 19.930 4.107 ( 10.671 6.393 0.000) 12.440 4.183 ( 15.253 1.540 0.000) 15.330 4.261 ( 23.894 -1.344 0.000) 23.932 4.270 ( 12.117 -1.190 0.000) 12.176 4.330 ( 14.478 0.670 0.000) 14.493 4.470 ( 8.720 8.086 0.000) 11.892 4.633 ( 6.559 12.434 0.000) 14.058 4.726 ( 9.031 -1.491 0.000) 9.153 4.862 ( 7.536 0.153 0.000) 7.537 5.113 ( 13.768 -1.000 0.000) 13.805 5.282 ( 13.628 4.845 0.000) 14.463 5.364 ( 39.351 0.123 0.000) 39.351 5.503 ( 25.624 -1.518 0.000) 25.669 5.540 ( 22.306 -4.077 0.000) 22.675 5.575 ( 19.567 0.567 0.000) 19.575 5.660 ( 14.195 2.644 0.000) 14.439 5.687 ( 20.148 1.729 0.000) 20.222 5.824 ( 12.692 -3.789 0.000) 13.245 5.856 ( 16.504 -5.565 0.000) 17.417 5.952 ( 26.297 -0.145 0.000) 26.298 6.033 ( 16.840 0.270 0.000) 16.843 6.132 ( 39.660 -3.872 0.000) 39.849 6.216 ( 28.366 -4.901 0.000) 28.787 6.359 ( 18.324 -2.556 0.000) 18.502 6.436 ( 15.203 -3.449 0.000) 15.589 6.608 ( 32.787 -5.654 0.000) 33.271 6.622 ( 20.246 -5.025 0.000) 20.860 6.748 ( 19.451 2.027 0.000) 19.556 6.880 ( 12.140 1.328 0.000) 12.212 6.952 ( 3.027 5.248 0.000) 6.058 7.089 ( 10.582 -4.682 0.000) 11.571 7.166 ( 2.242 -2.714 0.000) 3.520 7.220 ( -2.329 1.363 0.000) 2.698 7.429 ( 0.771 5.404 0.000) 5.458 7.507 ( -4.767 10.151 0.000) 11.214 7.631 ( 0.503 0.387 0.000) 0.634 7.710 ( -9.539 4.553 0.000) 10.570 7.839 ( -7.633 -2.527 0.000) 8.040 8.094 ( -7.690 -8.508 0.000) 11.469 8.288 ( -8.974 5.824 0.000) 10.698 8.435 ( -11.004 2.410 0.000) 11.265 8.542 ( -10.326 2.575 0.000) 10.642 8.624 ( -10.555 1.384 0.000) 10.646 8.728 ( -8.931 -4.019 0.000) 9.794 8.890 ( -11.980 1.747 0.000) 12.107 9.213 ( 33.129 2.349 0.000) 33.212 9.289 ( 39.503 0.578 0.000) 39.508 9.413 ( -4.887 3.592 0.000) 6.065 9.484 ( 4.061 0.846 0.000) 4.148 9.577 ( 9.160 -0.238 0.000) 9.163 9.626 ( -1.287 -1.394 0.000) 1.897 9.676 ( 14.584 1.367 0.000) 14.648 9.759 ( 13.505 -0.958 0.000) 13.539 9.888 ( 5.570 1.773 0.000) 5.846 9.925 ( -2.550 0.789 0.000) 2.670 10.045 ( 2.725 1.018 0.000) 2.909 10.105 ( 1.646 2.055 0.000) 2.633 10.138 ( 2.495 4.476 0.000) 5.125 10.173 ( 6.070 -1.872 0.000) 6.352 10.272 ( 1.594 0.678 0.000) 1.733 10.296 ( 10.823 3.655 0.000) 11.424 10.516 ( 12.165 -1.127 0.000) 12.217 10.563 ( 14.738 -1.275 0.000) 14.793 10.602 ( 8.387 0.363 0.000) 8.395 10.613 ( 3.974 0.328 0.000) 3.988 10.656 ( 13.440 1.019 0.000) 13.478 10.703 ( 13.915 -1.209 0.000) 13.967 10.776 ( 11.422 -2.025 0.000) 11.600 10.789 ( 13.361 -3.872 0.000) 13.911 10.818 ( 6.567 -0.873 0.000) 6.625 10.908 ( 2.798 -2.800 0.000) 3.959 10.988 ( 7.178 -3.101 0.000) 7.819 11.079 ( 8.130 3.569 0.000) 8.879 11.113 ( 12.515 0.945 0.000) 12.550 11.135 ( 14.622 0.467 0.000) 14.629 11.235 ( 4.999 -2.341 0.000) 5.520 11.307 ( 13.017 0.226 0.000) 13.019 11.319 ( 9.562 -4.087 0.000) 10.399 11.381 ( 9.048 -1.711 0.000) 9.208 11.532 ( 9.500 5.328 0.000) 10.892 11.636 ( 11.798 1.697 0.000) 11.919 11.694 ( 9.408 0.419 0.000) 9.418 11.837 ( 4.552 0.099 0.000) 4.553 11.969 ( 15.988 0.625 0.000) 16.000 12.091 ( 14.068 -0.670 0.000) 14.084 12.360 ( -0.252 -8.187 0.000) 8.191 12.490 ( 1.041 -2.091 0.000) 2.336 12.658 ( 3.229 1.731 0.000) 3.664 12.798 ( 1.422 7.576 0.000) 7.708 13.057 ( 0.236 -5.723 0.000) 5.728 13.227 ( 2.401 1.839 0.000) 3.024 13.413 ( -3.902 0.623 0.000) 3.952 13.625 ( -9.136 -2.734 0.000) 9.536 13.980 ( -10.517 -0.185 0.000) 10.519 14.093 ( -13.636 1.126 0.000) 13.683 14.177 ( -7.790 3.865 0.000) 8.696 14.276 ( -12.165 4.353 0.000) 12.920 14.463 ( -16.024 -3.993 0.000) 16.514 14.607 ( -12.191 -1.232 0.000) 12.253 14.687 ( -12.361 2.760 0.000) 12.666 14.815 ( -19.859 -6.600 0.000) 20.927 15.131 ( -15.493 3.176 0.000) 15.815 15.242 ( -13.650 6.282 0.000) 15.026 15.398 ( -4.326 -2.576 0.000) 5.034 15.512 ( -12.011 -2.237 0.000) 12.217 15.663 ( -9.825 2.522 0.000) 10.144 16.267 ( -6.622 -12.368 0.000) 14.029 16.564 ( -14.537 0.579 0.000) 14.549 16.690 ( -15.948 1.857 0.000) 16.056 16.849 ( -15.323 2.412 0.000) 15.512 17.166 ( -19.894 -2.170 0.000) 20.012 ======================= Grid point 21 (14/54) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 10.283 1.419 0.000) 10.380 2.259 ( 19.163 3.777 0.000) 19.532 2.558 ( 21.642 4.770 0.000) 22.162 2.626 ( 12.269 0.337 0.000) 12.274 2.751 ( 12.414 -1.210 0.000) 12.473 2.825 ( 11.055 1.691 0.000) 11.184 3.078 ( 10.329 -3.027 0.000) 10.764 3.140 ( 15.317 -1.806 0.000) 15.423 3.271 ( 11.905 3.631 0.000) 12.446 3.302 ( 6.910 -7.486 0.000) 10.187 3.477 ( 10.120 3.566 0.000) 10.730 3.576 ( 10.727 -8.137 0.000) 13.464 3.621 ( 8.441 1.180 0.000) 8.523 3.728 ( 9.020 -5.918 0.000) 10.789 3.785 ( 4.913 2.312 0.000) 5.430 3.901 ( 8.455 -1.004 0.000) 8.514 3.984 ( 1.567 2.258 0.000) 2.748 4.063 ( 10.885 -3.312 0.000) 11.377 4.220 ( 9.330 1.712 0.000) 9.486 4.279 ( 9.279 -0.504 0.000) 9.293 4.340 ( 13.454 4.065 0.000) 14.055 4.407 ( 14.278 3.479 0.000) 14.695 4.493 ( 12.282 2.668 0.000) 12.568 4.649 ( 17.760 4.849 0.000) 18.410 4.727 ( 26.397 0.414 0.000) 26.400 4.775 ( 26.248 0.457 0.000) 26.252 4.809 ( 20.632 -3.186 0.000) 20.876 4.850 ( 17.674 7.171 0.000) 19.074 4.913 ( 12.212 -0.927 0.000) 12.247 5.063 ( 15.287 0.137 0.000) 15.288 5.362 ( 11.223 -4.797 0.000) 12.205 5.436 ( 4.534 -0.359 0.000) 4.548 5.563 ( 2.596 -0.226 0.000) 2.605 5.670 ( 0.060 5.641 0.000) 5.641 5.690 ( -1.645 1.620 0.000) 2.309 5.856 ( 7.637 -5.567 0.000) 9.451 5.965 ( 9.812 -1.317 0.000) 9.900 6.053 ( 6.467 -1.647 0.000) 6.673 6.223 ( 13.890 -1.338 0.000) 13.954 6.317 ( 6.517 0.912 0.000) 6.580 6.370 ( 34.159 2.991 0.000) 34.290 6.474 ( 33.094 0.616 0.000) 33.100 6.664 ( 23.245 -4.150 0.000) 23.613 6.704 ( 17.181 0.151 0.000) 17.182 6.802 ( 20.086 -1.554 0.000) 20.145 6.861 ( 20.849 -0.182 0.000) 20.850 6.908 ( 8.579 -4.087 0.000) 9.503 6.971 ( 5.896 2.729 0.000) 6.497 7.092 ( 15.669 -1.282 0.000) 15.721 7.199 ( 4.760 0.531 0.000) 4.789 7.245 ( 19.253 0.076 0.000) 19.254 7.338 ( 13.985 5.399 0.000) 14.991 7.462 ( 25.723 -1.196 0.000) 25.751 7.512 ( 18.658 0.246 0.000) 18.660 7.558 ( 19.596 1.444 0.000) 19.650 7.586 ( 19.141 -2.510 0.000) 19.305 7.685 ( 17.889 -0.807 0.000) 17.908 7.769 ( 7.393 -2.861 0.000) 7.927 7.855 ( 15.450 1.366 0.000) 15.511 7.987 ( 0.111 -4.334 0.000) 4.335 8.147 ( -2.984 1.200 0.000) 3.216 8.279 ( -1.709 1.354 0.000) 2.181 8.343 ( -8.711 0.779 0.000) 8.746 8.438 ( -6.479 2.520 0.000) 6.952 8.537 ( -5.766 -1.376 0.000) 5.928 8.653 ( -8.801 4.321 0.000) 9.804 9.196 ( -10.545 2.901 0.000) 10.936 9.323 ( -9.108 -1.756 0.000) 9.276 9.429 ( -8.898 2.703 0.000) 9.300 9.637 ( -2.605 -2.984 0.000) 3.961 9.745 ( -4.904 4.198 0.000) 6.455 9.829 ( 3.888 5.348 0.000) 6.612 9.970 ( 15.296 -0.796 0.000) 15.317 9.992 ( 11.349 -0.175 0.000) 11.350 10.062 ( 4.418 1.648 0.000) 4.715 10.069 ( 12.623 0.274 0.000) 12.626 10.125 ( 3.527 3.262 0.000) 4.804 10.139 ( 6.981 -0.246 0.000) 6.985 10.190 ( 12.144 -1.437 0.000) 12.228 10.308 ( 11.012 0.740 0.000) 11.037 10.372 ( 8.438 0.878 0.000) 8.484 10.511 ( 8.862 1.446 0.000) 8.979 10.628 ( 3.616 -3.137 0.000) 4.787 10.678 ( 2.121 -0.936 0.000) 2.318 10.705 ( 0.470 -1.612 0.000) 1.679 10.777 ( 8.498 0.405 0.000) 8.507 10.844 ( 8.959 -1.080 0.000) 9.024 10.884 ( 4.718 -1.951 0.000) 5.106 10.966 ( 12.163 -3.913 0.000) 12.777 10.988 ( 7.304 -2.370 0.000) 7.679 11.033 ( 12.504 -1.101 0.000) 12.553 11.101 ( 5.983 0.539 0.000) 6.007 11.156 ( 20.014 -1.538 0.000) 20.073 11.186 ( 3.465 -0.020 0.000) 3.465 11.283 ( 1.107 -0.789 0.000) 1.360 11.340 ( 11.034 2.401 0.000) 11.292 11.440 ( 4.360 0.369 0.000) 4.375 11.474 ( 16.875 -0.354 0.000) 16.879 11.518 ( 7.068 -3.059 0.000) 7.702 11.645 ( 8.837 5.442 0.000) 10.379 11.747 ( 15.544 3.592 0.000) 15.953 11.916 ( 12.607 -0.916 0.000) 12.640 11.926 ( 13.933 0.409 0.000) 13.939 11.985 ( 16.789 -0.751 0.000) 16.805 12.252 ( 10.374 -2.442 0.000) 10.658 12.358 ( 13.423 1.198 0.000) 13.477 12.426 ( 7.909 -5.907 0.000) 9.871 12.529 ( 4.933 -0.782 0.000) 4.995 12.738 ( 5.048 -0.047 0.000) 5.048 12.861 ( 4.726 6.967 0.000) 8.419 13.039 ( -2.057 -4.875 0.000) 5.291 13.213 ( -2.812 1.113 0.000) 3.024 13.350 ( -3.832 -2.223 0.000) 4.430 13.500 ( -3.919 0.671 0.000) 3.976 13.777 ( -11.375 5.093 0.000) 12.463 13.846 ( -9.662 -6.032 0.000) 11.390 13.976 ( -12.587 5.004 0.000) 13.546 14.074 ( -7.893 1.347 0.000) 8.007 14.143 ( -14.776 -6.086 0.000) 15.980 14.388 ( -12.927 1.497 0.000) 13.014 14.434 ( -12.936 -2.312 0.000) 13.142 14.491 ( -10.547 2.149 0.000) 10.764 14.839 ( -13.921 5.544 0.000) 14.984 15.019 ( -9.836 2.838 0.000) 10.237 15.283 ( -7.628 0.594 0.000) 7.651 15.302 ( -8.685 -1.801 0.000) 8.869 15.536 ( -3.252 2.508 0.000) 4.107 16.120 ( -8.334 -9.161 0.000) 12.385 16.284 ( -13.913 0.683 0.000) 13.930 16.408 ( -12.938 -1.390 0.000) 13.012 16.566 ( -13.447 2.012 0.000) 13.597 16.796 ( -17.774 -2.186 0.000) 17.908 ======================= Grid point 22 (15/54) ======================= q-point: ( 0.31 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.273 ( 8.749 0.368 0.000) 8.757 2.538 ( 9.586 0.515 0.000) 9.600 2.798 ( 9.310 -0.236 0.000) 9.313 2.891 ( 5.709 -0.564 0.000) 5.737 2.995 ( 17.945 4.834 0.000) 18.585 3.140 ( 16.780 1.040 0.000) 16.812 3.231 ( 7.675 -0.513 0.000) 7.692 3.402 ( 6.277 -4.421 0.000) 7.678 3.461 ( 13.196 -2.715 0.000) 13.473 3.557 ( 15.702 -1.919 0.000) 15.819 3.697 ( 12.811 3.310 0.000) 13.232 3.770 ( 7.554 -1.248 0.000) 7.657 3.794 ( 10.433 2.521 0.000) 10.733 3.858 ( 5.317 -1.389 0.000) 5.496 3.904 ( 7.407 -0.152 0.000) 7.408 4.000 ( 1.184 1.700 0.000) 2.072 4.054 ( 8.069 -1.034 0.000) 8.135 4.225 ( 7.254 -3.413 0.000) 8.017 4.353 ( 5.633 1.773 0.000) 5.905 4.417 ( 6.697 -0.316 0.000) 6.704 4.523 ( 3.525 0.251 0.000) 3.534 4.608 ( 9.313 2.000 0.000) 9.526 4.716 ( 7.561 8.484 0.000) 11.364 4.866 ( 7.708 4.138 0.000) 8.748 4.974 ( 4.400 -0.119 0.000) 4.402 5.095 ( 12.472 0.247 0.000) 12.475 5.168 ( 7.484 -6.709 0.000) 10.051 5.269 ( 18.254 1.748 0.000) 18.338 5.304 ( 18.647 -2.916 0.000) 18.874 5.390 ( 16.557 -5.138 0.000) 17.336 5.435 ( 2.149 -4.084 0.000) 4.615 5.525 ( 5.948 -1.726 0.000) 6.193 5.617 ( -3.485 7.404 0.000) 8.183 5.719 ( 7.765 4.458 0.000) 8.954 5.806 ( 14.824 1.528 0.000) 14.903 5.974 ( 5.750 -2.507 0.000) 6.273 6.126 ( 3.799 -0.569 0.000) 3.841 6.150 ( 10.653 -1.095 0.000) 10.709 6.298 ( -3.998 2.764 0.000) 4.861 6.345 ( 5.893 -2.661 0.000) 6.466 6.725 ( -2.981 5.447 0.000) 6.209 6.804 ( -0.783 -4.997 0.000) 5.058 6.890 ( 5.000 -0.428 0.000) 5.018 6.898 ( 2.773 -0.171 0.000) 2.778 7.039 ( -6.176 1.308 0.000) 6.313 7.058 ( 5.217 -0.535 0.000) 5.245 7.117 ( 13.530 -2.562 0.000) 13.770 7.265 ( 9.592 1.319 0.000) 9.682 7.287 ( 21.387 1.808 0.000) 21.463 7.353 ( 16.846 2.660 0.000) 17.055 7.504 ( 9.725 -3.267 0.000) 10.259 7.677 ( 12.338 -2.019 0.000) 12.502 7.708 ( -0.020 -1.450 0.000) 1.450 7.823 ( 2.819 0.026 0.000) 2.819 7.853 ( 8.071 -3.450 0.000) 8.777 7.918 ( 2.188 -1.626 0.000) 2.726 7.990 ( 11.780 1.330 0.000) 11.854 8.089 ( 29.213 0.901 0.000) 29.227 8.129 ( 23.219 2.412 0.000) 23.344 8.180 ( -0.506 -1.168 0.000) 1.272 8.266 ( 16.880 2.400 0.000) 17.050 8.318 ( 10.988 -0.593 0.000) 11.004 8.403 ( 20.247 2.308 0.000) 20.378 8.626 ( 22.629 -0.540 0.000) 22.636 8.790 ( 30.890 -1.006 0.000) 30.906 8.855 ( 30.171 1.289 0.000) 30.198 8.990 ( -9.620 1.447 0.000) 9.728 9.145 ( -7.292 -0.741 0.000) 7.329 9.274 ( -5.658 3.307 0.000) 6.553 9.485 ( -9.557 4.803 0.000) 10.695 9.691 ( -2.000 0.344 0.000) 2.030 9.866 ( 0.968 3.681 0.000) 3.806 10.036 ( 0.320 -0.087 0.000) 0.332 10.060 ( 1.451 0.271 0.000) 1.477 10.089 ( 0.123 0.363 0.000) 0.383 10.142 ( 4.021 0.846 0.000) 4.109 10.214 ( 2.770 1.963 0.000) 3.395 10.295 ( 1.996 -3.158 0.000) 3.736 10.347 ( 5.411 -2.997 0.000) 6.186 10.451 ( 2.578 -2.638 0.000) 3.689 10.572 ( 0.622 -1.383 0.000) 1.516 10.618 ( 6.678 2.129 0.000) 7.010 10.651 ( -3.020 -4.088 0.000) 5.083 10.681 ( 0.391 1.019 0.000) 1.091 10.748 ( 2.829 -6.718 0.000) 7.289 10.899 ( 2.380 2.459 0.000) 3.422 10.974 ( 3.945 -0.524 0.000) 3.979 11.017 ( 2.597 -2.878 0.000) 3.877 11.071 ( 6.006 -1.574 0.000) 6.209 11.174 ( -2.025 -0.543 0.000) 2.097 11.239 ( 6.249 3.756 0.000) 7.291 11.253 ( 8.259 2.669 0.000) 8.680 11.281 ( 5.867 -3.540 0.000) 6.853 11.330 ( 4.836 5.886 0.000) 7.618 11.456 ( 12.551 -1.051 0.000) 12.595 11.540 ( 6.625 -3.416 0.000) 7.454 11.577 ( 13.894 1.057 0.000) 13.934 11.626 ( 15.670 2.997 0.000) 15.954 11.752 ( 10.329 5.378 0.000) 11.645 11.789 ( 7.802 -1.294 0.000) 7.908 12.089 ( 17.735 -1.345 0.000) 17.786 12.146 ( 14.966 0.678 0.000) 14.981 12.240 ( 12.657 -6.322 0.000) 14.148 12.337 ( 15.412 1.589 0.000) 15.494 12.411 ( 10.319 -0.221 0.000) 10.322 12.588 ( 9.755 -5.528 0.000) 11.212 12.635 ( 10.065 2.242 0.000) 10.311 12.677 ( 8.415 -1.744 0.000) 8.594 12.854 ( 6.575 -1.287 0.000) 6.700 12.969 ( 6.355 4.603 0.000) 7.847 12.993 ( -1.452 -3.762 0.000) 4.032 13.167 ( -0.853 -0.498 0.000) 0.988 13.279 ( -2.825 -0.907 0.000) 2.968 13.428 ( -3.251 3.274 0.000) 4.613 13.549 ( -10.359 4.830 0.000) 11.430 13.667 ( -10.725 -2.062 0.000) 10.922 13.793 ( -5.925 2.079 0.000) 6.279 13.920 ( -6.810 -4.612 0.000) 8.225 13.965 ( -4.233 0.883 0.000) 4.324 14.129 ( -10.667 -1.224 0.000) 10.737 14.244 ( -7.797 0.960 0.000) 7.856 14.364 ( -3.797 -0.936 0.000) 3.910 14.606 ( -9.824 5.743 0.000) 11.380 14.829 ( -10.271 -2.524 0.000) 10.577 15.137 ( -6.104 6.220 0.000) 8.715 15.189 ( -3.584 -0.346 0.000) 3.601 15.507 ( -0.284 1.968 0.000) 1.988 15.949 ( -9.095 -6.468 0.000) 11.161 16.037 ( -11.210 1.327 0.000) 11.288 16.189 ( -9.672 -2.756 0.000) 10.057 16.335 ( -10.257 1.280 0.000) 10.337 16.485 ( -14.147 -2.013 0.000) 14.290 ======================= Grid point 23 (16/54) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 6.536 0.327 0.000) 6.544 2.668 ( 4.548 0.148 0.000) 4.550 2.942 ( 5.415 0.500 0.000) 5.438 2.999 ( 5.476 -0.155 0.000) 5.478 3.267 ( 10.085 3.355 0.000) 10.629 3.361 ( 5.804 0.463 0.000) 5.822 3.423 ( 11.210 -0.022 0.000) 11.210 3.499 ( 4.370 -4.329 0.000) 6.151 3.692 ( 10.120 -1.076 0.000) 10.177 3.821 ( 7.988 -0.697 0.000) 8.018 3.876 ( 2.946 -1.151 0.000) 3.163 3.903 ( 10.083 -0.667 0.000) 10.105 3.996 ( 9.425 2.715 0.000) 9.808 4.023 ( 8.906 2.745 0.000) 9.319 4.041 ( 7.581 -0.122 0.000) 7.582 4.067 ( 7.422 -0.905 0.000) 7.477 4.232 ( 10.473 -0.519 0.000) 10.486 4.374 ( 8.015 -2.036 0.000) 8.270 4.461 ( 5.929 -0.306 0.000) 5.937 4.547 ( 6.260 -0.473 0.000) 6.277 4.567 ( 1.795 2.314 0.000) 2.929 4.722 ( 2.791 1.525 0.000) 3.180 4.782 ( 0.358 2.646 0.000) 2.670 4.980 ( 2.986 2.085 0.000) 3.642 5.017 ( 1.358 1.995 0.000) 2.413 5.122 ( -4.857 -4.011 0.000) 6.299 5.269 ( 1.383 -5.082 0.000) 5.267 5.378 ( -3.394 -7.624 0.000) 8.346 5.508 ( 4.664 5.147 0.000) 6.946 5.548 ( 10.099 5.774 0.000) 11.633 5.595 ( 5.974 1.693 0.000) 6.209 5.658 ( 5.962 -4.454 0.000) 7.442 5.784 ( 13.869 -3.401 0.000) 14.279 5.846 ( 4.678 -2.231 0.000) 5.183 5.985 ( 2.622 2.344 0.000) 3.517 6.105 ( 4.969 4.220 0.000) 6.519 6.207 ( 2.648 -1.804 0.000) 3.204 6.226 ( 0.528 0.974 0.000) 1.108 6.370 ( 9.982 3.242 0.000) 10.496 6.531 ( 10.205 -3.181 0.000) 10.689 6.659 ( -1.173 4.320 0.000) 4.476 6.700 ( -5.155 0.821 0.000) 5.220 6.881 ( -2.726 -0.790 0.000) 2.838 6.951 ( 1.155 0.417 0.000) 1.228 7.034 ( 5.406 -0.213 0.000) 5.410 7.094 ( -4.070 -0.633 0.000) 4.119 7.146 ( 2.354 -0.239 0.000) 2.366 7.212 ( -7.549 -4.058 0.000) 8.570 7.482 ( -9.009 0.916 0.000) 9.055 7.515 ( -5.797 1.716 0.000) 6.046 7.637 ( 6.699 1.211 0.000) 6.807 7.715 ( 8.324 0.717 0.000) 8.355 7.799 ( -1.886 -3.948 0.000) 4.376 7.875 ( 2.920 3.377 0.000) 4.464 7.999 ( -0.110 -0.694 0.000) 0.702 8.032 ( 10.142 -2.733 0.000) 10.504 8.117 ( 13.691 0.142 0.000) 13.692 8.267 ( 13.707 -0.980 0.000) 13.742 8.483 ( 3.060 0.023 0.000) 3.060 8.550 ( 12.267 -1.885 0.000) 12.411 8.642 ( 23.378 2.036 0.000) 23.467 8.732 ( 22.371 0.442 0.000) 22.375 8.884 ( 4.531 -0.344 0.000) 4.544 8.908 ( 21.405 1.175 0.000) 21.437 9.011 ( 9.415 1.865 0.000) 9.598 9.101 ( 7.645 0.388 0.000) 7.655 9.162 ( 8.605 0.219 0.000) 8.608 9.296 ( -1.124 6.805 0.000) 6.897 9.465 ( 21.848 1.052 0.000) 21.873 9.518 ( 25.002 1.602 0.000) 25.054 9.656 ( -0.724 0.526 0.000) 0.895 9.879 ( 0.467 1.409 0.000) 1.484 10.046 ( 1.253 -0.624 0.000) 1.399 10.099 ( 2.074 -0.166 0.000) 2.081 10.112 ( 2.465 -0.846 0.000) 2.606 10.227 ( 3.455 -0.871 0.000) 3.563 10.281 ( 3.845 1.466 0.000) 4.115 10.322 ( 2.861 -2.335 0.000) 3.693 10.370 ( 0.219 -6.685 0.000) 6.688 10.526 ( -0.935 0.500 0.000) 1.061 10.543 ( 3.462 -0.363 0.000) 3.481 10.605 ( -1.980 -2.878 0.000) 3.493 10.642 ( -0.918 -1.442 0.000) 1.709 10.715 ( 2.104 0.679 0.000) 2.211 10.780 ( 1.248 -4.712 0.000) 4.875 10.930 ( 0.883 1.653 0.000) 1.874 10.977 ( -2.947 -0.736 0.000) 3.038 11.007 ( -1.169 -2.425 0.000) 2.692 11.073 ( -4.990 3.122 0.000) 5.886 11.101 ( -4.068 1.085 0.000) 4.211 11.241 ( -4.066 -3.614 0.000) 5.440 11.313 ( 4.553 5.516 0.000) 7.152 11.380 ( 2.485 2.281 0.000) 3.373 11.399 ( 6.051 4.331 0.000) 7.441 11.559 ( -0.367 -6.143 0.000) 6.154 11.759 ( 8.625 -0.343 0.000) 8.632 11.807 ( 1.927 -1.473 0.000) 2.425 11.967 ( 17.845 -0.566 0.000) 17.854 11.996 ( 15.978 5.045 0.000) 16.756 12.059 ( 18.557 2.918 0.000) 18.785 12.334 ( 4.995 -4.580 0.000) 6.777 12.405 ( 12.128 -1.001 0.000) 12.170 12.449 ( 3.812 -4.969 0.000) 6.262 12.554 ( 11.001 2.661 0.000) 11.318 12.609 ( 7.248 -0.393 0.000) 7.259 12.698 ( 2.118 0.005 0.000) 2.118 12.765 ( 7.441 0.380 0.000) 7.451 12.855 ( 9.235 -3.157 0.000) 9.760 12.975 ( 6.338 -4.283 0.000) 7.649 13.020 ( 2.704 -4.000 0.000) 4.828 13.125 ( 7.621 3.062 0.000) 8.213 13.197 ( 3.652 -0.850 0.000) 3.750 13.261 ( 1.870 6.022 0.000) 6.306 13.390 ( -3.171 5.353 0.000) 6.221 13.423 ( 0.484 3.527 0.000) 3.560 13.488 ( -6.568 2.465 0.000) 7.015 13.691 ( -4.350 0.061 0.000) 4.351 13.813 ( -4.748 -1.442 0.000) 4.962 13.927 ( -1.018 0.260 0.000) 1.051 13.993 ( -3.709 -0.566 0.000) 3.752 14.129 ( -4.078 0.276 0.000) 4.087 14.316 ( -1.664 -5.218 0.000) 5.477 14.459 ( -5.373 2.708 0.000) 6.017 14.621 ( -10.631 -4.775 0.000) 11.654 15.045 ( -3.697 6.224 0.000) 7.239 15.153 ( -0.456 0.803 0.000) 0.923 15.516 ( 1.183 2.086 0.000) 2.398 15.776 ( -8.379 -3.773 0.000) 9.189 15.856 ( -7.373 1.512 0.000) 7.526 16.029 ( -6.784 -2.639 0.000) 7.280 16.169 ( -6.786 0.594 0.000) 6.812 16.247 ( -10.253 -1.497 0.000) 10.362 ======================= Grid point 24 (17/54) ======================= q-point: ( 0.44 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.520 ( 3.313 1.072 0.000) 3.482 2.731 ( 2.050 -0.182 0.000) 2.058 3.015 ( 2.244 0.739 0.000) 2.363 3.094 ( 3.818 -0.019 0.000) 3.819 3.404 ( 4.450 1.273 0.000) 4.629 3.438 ( 2.303 0.762 0.000) 2.426 3.565 ( 2.963 -1.613 0.000) 3.374 3.590 ( 5.266 -0.695 0.000) 5.311 3.840 ( 4.368 -0.595 0.000) 4.408 3.886 ( 0.582 -0.846 0.000) 1.026 3.908 ( 2.256 2.182 0.000) 3.138 4.102 ( 3.931 0.028 0.000) 3.931 4.114 ( 7.531 -0.461 0.000) 7.545 4.157 ( 5.698 -0.155 0.000) 5.700 4.171 ( 5.341 -1.263 0.000) 5.489 4.239 ( 6.355 0.310 0.000) 6.363 4.450 ( 10.664 -1.403 0.000) 10.755 4.514 ( 5.678 -0.038 0.000) 5.678 4.583 ( 3.990 -0.467 0.000) 4.017 4.603 ( 4.318 -0.424 0.000) 4.339 4.650 ( 3.483 1.122 0.000) 3.659 4.726 ( -2.678 0.567 0.000) 2.737 4.757 ( -1.746 1.567 0.000) 2.346 4.993 ( -2.793 0.442 0.000) 2.828 5.035 ( 3.552 -1.932 0.000) 4.044 5.059 ( -1.458 -0.725 0.000) 1.628 5.233 ( -2.827 -6.898 0.000) 7.455 5.285 ( -5.603 -5.833 0.000) 8.088 5.595 ( 3.378 4.626 0.000) 5.728 5.695 ( 1.088 -1.642 0.000) 1.970 5.704 ( 4.316 2.525 0.000) 5.000 5.726 ( 6.333 3.166 0.000) 7.081 5.887 ( 2.362 -0.665 0.000) 2.454 5.979 ( -1.991 -2.612 0.000) 3.285 6.010 ( 5.849 -2.896 0.000) 6.527 6.089 ( -0.589 2.968 0.000) 3.026 6.188 ( -3.417 0.390 0.000) 3.439 6.301 ( 0.372 0.511 0.000) 0.632 6.514 ( 2.925 9.215 0.000) 9.668 6.555 ( 2.629 -3.122 0.000) 4.082 6.663 ( 0.479 2.107 0.000) 2.161 6.807 ( 1.716 0.923 0.000) 1.949 6.825 ( 3.251 2.953 0.000) 4.392 6.945 ( -5.053 0.767 0.000) 5.111 7.017 ( -2.499 -0.101 0.000) 2.502 7.069 ( 0.776 -1.887 0.000) 2.040 7.159 ( 3.487 1.097 0.000) 3.655 7.219 ( 2.816 -0.425 0.000) 2.848 7.333 ( -3.896 0.476 0.000) 3.925 7.429 ( -2.413 -0.836 0.000) 2.553 7.659 ( -2.122 -1.669 0.000) 2.700 7.682 ( -4.845 -0.941 0.000) 4.936 7.890 ( 7.653 -0.009 0.000) 7.653 7.939 ( 3.567 0.375 0.000) 3.587 8.023 ( 4.498 4.747 0.000) 6.540 8.176 ( 1.439 0.202 0.000) 1.453 8.307 ( -2.270 -0.276 0.000) 2.287 8.357 ( -4.286 0.503 0.000) 4.315 8.432 ( 3.437 -6.193 0.000) 7.083 8.784 ( 10.388 -6.308 0.000) 12.153 8.904 ( 6.500 -0.099 0.000) 6.501 9.012 ( 6.257 1.646 0.000) 6.470 9.052 ( 6.162 2.584 0.000) 6.682 9.096 ( 4.839 2.602 0.000) 5.494 9.206 ( 5.976 7.080 0.000) 9.265 9.269 ( 12.026 -2.173 0.000) 12.221 9.352 ( 10.616 1.295 0.000) 10.695 9.408 ( 6.373 2.794 0.000) 6.958 9.636 ( 0.605 0.431 0.000) 0.743 9.784 ( 7.631 0.381 0.000) 7.640 9.863 ( 8.004 0.783 0.000) 8.042 9.891 ( 1.615 -0.334 0.000) 1.649 10.101 ( 3.751 -0.627 0.000) 3.803 10.140 ( 2.119 0.085 0.000) 2.121 10.159 ( 2.364 -0.659 0.000) 2.454 10.229 ( -1.522 -2.145 0.000) 2.630 10.349 ( 0.425 -1.787 0.000) 1.837 10.361 ( 2.444 -6.010 0.000) 6.488 10.461 ( 2.299 0.194 0.000) 2.307 10.512 ( 4.084 1.893 0.000) 4.502 10.589 ( 2.378 -1.922 0.000) 3.058 10.628 ( 0.512 -1.588 0.000) 1.669 10.648 ( 4.439 0.913 0.000) 4.532 10.770 ( 2.175 -0.414 0.000) 2.214 10.805 ( 2.160 -1.832 0.000) 2.832 10.883 ( -3.358 -0.232 0.000) 3.366 10.917 ( -2.738 0.522 0.000) 2.787 10.992 ( -1.340 2.953 0.000) 3.243 11.023 ( -0.454 1.072 0.000) 1.165 11.052 ( 0.140 0.645 0.000) 0.660 11.152 ( -4.310 -5.390 0.000) 6.901 11.365 ( -0.559 3.412 0.000) 3.457 11.453 ( 6.215 2.651 0.000) 6.756 11.534 ( 1.142 -4.609 0.000) 4.748 11.573 ( 8.176 -3.761 0.000) 9.000 11.784 ( -3.115 -2.703 0.000) 4.125 11.833 ( 0.037 1.397 0.000) 1.398 12.143 ( -0.325 -2.909 0.000) 2.927 12.244 ( 5.838 4.273 0.000) 7.235 12.293 ( 1.463 -4.490 0.000) 4.723 12.388 ( 3.759 6.079 0.000) 7.147 12.471 ( 8.703 1.425 0.000) 8.819 12.567 ( 2.949 -0.200 0.000) 2.956 12.697 ( 4.793 4.176 0.000) 6.357 12.767 ( 3.926 -3.031 0.000) 4.960 12.794 ( 10.014 -0.502 0.000) 10.026 12.913 ( 5.734 0.105 0.000) 5.735 12.996 ( 5.101 -3.546 0.000) 6.212 13.046 ( -0.013 -2.769 0.000) 2.769 13.096 ( 5.319 -4.639 0.000) 7.058 13.159 ( -1.609 3.340 0.000) 3.708 13.282 ( 0.954 8.291 0.000) 8.346 13.328 ( 3.433 3.199 0.000) 4.693 13.372 ( 2.471 0.498 0.000) 2.521 13.422 ( 1.193 3.676 0.000) 3.864 13.515 ( 5.109 3.369 0.000) 6.120 13.632 ( -2.152 0.552 0.000) 2.222 13.736 ( -2.627 -1.097 0.000) 2.847 13.890 ( -1.968 -0.169 0.000) 1.976 13.976 ( 0.935 1.344 0.000) 1.637 14.079 ( -1.188 -2.282 0.000) 2.573 14.279 ( -2.034 -3.996 0.000) 4.484 14.381 ( -4.455 -2.819 0.000) 5.272 14.445 ( -5.588 -4.156 0.000) 6.964 14.989 ( -2.033 3.895 0.000) 4.393 15.155 ( 0.322 -0.312 0.000) 0.448 15.548 ( 1.806 1.561 0.000) 2.387 15.641 ( -5.071 -1.000 0.000) 5.168 15.748 ( -3.703 1.729 0.000) 4.086 15.924 ( -4.014 -1.889 0.000) 4.437 16.068 ( -3.844 -0.381 0.000) 3.862 16.091 ( -5.359 -0.360 0.000) 5.371 ======================= Grid point 25 (18/54) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.552 ( 0.000 1.487 0.000) 1.487 2.750 ( 0.000 -0.396 0.000) 0.396 3.036 ( 0.000 0.810 0.000) 0.810 3.133 ( 0.000 0.022 0.000) 0.022 3.447 ( 0.000 0.516 0.000) 0.516 3.460 ( 0.000 0.474 0.000) 0.474 3.592 ( 0.000 -0.089 0.000) 0.089 3.645 ( 0.000 -1.185 0.000) 1.185 3.870 ( 0.000 -0.228 0.000) 0.228 3.889 ( 0.000 -0.701 0.000) 0.701 3.943 ( 0.000 2.526 0.000) 2.526 4.136 ( 0.000 -0.549 0.000) 0.549 4.181 ( 0.000 0.261 0.000) 0.261 4.226 ( 0.000 -2.074 0.000) 2.074 4.232 ( -0.000 0.805 0.000) 0.805 4.297 ( 0.000 -1.189 0.000) 1.189 4.578 ( 0.000 2.906 0.000) 2.906 4.579 ( 0.000 -2.380 0.000) 2.380 4.621 ( 0.000 -2.271 0.000) 2.271 4.649 ( -0.000 -0.969 0.000) 0.969 4.664 ( -0.000 1.405 0.000) 1.405 4.691 ( -0.000 -0.129 0.000) 0.129 4.742 ( 0.000 1.687 0.000) 1.687 4.961 ( 0.000 -1.119 0.000) 1.119 5.038 ( 0.000 -0.269 0.000) 0.269 5.108 ( -0.000 -0.498 0.000) 0.498 5.193 ( 0.000 -8.308 0.000) 8.308 5.205 ( 0.000 -7.863 0.000) 7.863 5.627 ( 0.000 3.388 0.000) 3.388 5.683 ( 0.000 1.702 0.000) 1.702 5.774 ( 0.000 -0.628 0.000) 0.628 5.793 ( 0.000 3.477 0.000) 3.477 5.912 ( 0.000 3.462 0.000) 3.462 5.950 ( 0.000 -4.655 0.000) 4.655 6.052 ( 0.000 -0.542 0.000) 0.542 6.075 ( 0.000 3.398 0.000) 3.398 6.214 ( -0.000 -3.525 0.000) 3.525 6.223 ( 0.000 0.585 0.000) 0.585 6.544 ( 0.000 10.043 0.000) 10.043 6.606 ( 0.000 0.720 0.000) 0.720 6.704 ( 0.000 2.645 0.000) 2.645 6.726 ( 0.000 -1.204 0.000) 1.204 6.876 ( 0.000 -0.565 0.000) 0.565 6.909 ( 0.000 0.448 0.000) 0.448 6.984 ( -0.000 6.394 0.000) 6.394 7.104 ( 0.000 -1.528 0.000) 1.528 7.195 ( 0.000 1.808 0.000) 1.808 7.247 ( 0.000 0.469 0.000) 0.469 7.311 ( 0.000 -1.125 0.000) 1.125 7.411 ( 0.000 -2.724 0.000) 2.724 7.619 ( 0.000 -0.764 0.000) 0.764 7.636 ( 0.000 -1.571 0.000) 1.571 8.010 ( 0.000 0.754 0.000) 0.754 8.023 ( 0.000 0.989 0.000) 0.989 8.072 ( 0.000 4.605 0.000) 4.605 8.102 ( -0.000 0.643 0.000) 0.643 8.244 ( 0.000 -1.348 0.000) 1.348 8.296 ( 0.000 -1.630 0.000) 1.630 8.490 ( 0.000 -5.125 0.000) 5.125 8.889 ( 0.000 -6.261 0.000) 6.261 8.968 ( 0.000 -0.410 0.000) 0.410 9.052 ( 0.000 3.679 0.000) 3.679 9.108 ( 0.000 7.603 0.000) 7.603 9.127 ( 0.000 -2.593 0.000) 2.593 9.347 ( -0.000 4.235 0.000) 4.235 9.362 ( 0.000 -1.081 0.000) 1.081 9.450 ( 0.000 3.344 0.000) 3.344 9.466 ( 0.000 -0.641 0.000) 0.641 9.647 ( 0.000 -0.450 0.000) 0.450 9.845 ( 0.000 2.026 0.000) 2.026 9.880 ( 0.000 -1.270 0.000) 1.270 9.951 ( 0.000 -0.636 0.000) 0.636 10.129 ( 0.000 -1.832 0.000) 1.832 10.180 ( 0.000 1.821 0.000) 1.821 10.197 ( -0.000 -2.847 0.000) 2.847 10.204 ( 0.000 2.231 0.000) 2.231 10.343 ( 0.000 -1.775 0.000) 1.775 10.383 ( 0.000 -6.964 0.000) 6.964 10.450 ( 0.000 -0.160 0.000) 0.160 10.602 ( 0.000 1.665 0.000) 1.665 10.635 ( -0.000 2.254 0.000) 2.254 10.644 ( 0.000 -1.550 0.000) 1.550 10.659 ( -0.000 -1.781 0.000) 1.781 10.786 ( 0.000 -0.413 0.000) 0.413 10.858 ( 0.000 -2.412 0.000) 2.412 10.879 ( 0.000 0.598 0.000) 0.598 10.886 ( 0.000 -1.290 0.000) 1.290 10.953 ( 0.000 7.437 0.000) 7.437 11.021 ( 0.000 -0.876 0.000) 0.876 11.068 ( 0.000 0.511 0.000) 0.511 11.100 ( -0.000 -5.839 0.000) 5.839 11.354 ( 0.000 2.393 0.000) 2.393 11.512 ( -0.000 -3.928 0.000) 3.928 11.558 ( 0.000 -1.024 0.000) 1.024 11.686 ( 0.000 -1.370 0.000) 1.370 11.767 ( 0.000 -4.996 0.000) 4.996 11.804 ( -0.000 -2.766 0.000) 2.766 12.059 ( 0.000 0.891 0.000) 0.891 12.288 ( 0.000 -2.988 0.000) 2.988 12.309 ( 0.000 6.291 0.000) 6.291 12.462 ( -0.000 5.787 0.000) 5.787 12.554 ( -0.000 4.330 0.000) 4.330 12.596 ( 0.000 0.808 0.000) 0.808 12.775 ( -0.000 3.689 0.000) 3.689 12.791 ( 0.000 -4.184 0.000) 4.184 12.905 ( 0.000 -2.502 0.000) 2.502 12.982 ( 0.000 0.802 0.000) 0.802 13.013 ( 0.000 -3.762 0.000) 3.762 13.062 ( 0.000 -1.534 0.000) 1.534 13.120 ( -0.000 4.035 0.000) 4.035 13.158 ( 0.000 -4.439 0.000) 4.439 13.293 ( 0.000 6.827 0.000) 6.827 13.351 ( 0.000 7.200 0.000) 7.200 13.394 ( 0.000 0.252 0.000) 0.252 13.481 ( 0.000 -0.031 0.000) 0.031 13.554 ( -0.000 5.732 0.000) 5.732 13.602 ( 0.000 -1.520 0.000) 1.520 13.720 ( 0.000 -1.239 0.000) 1.239 13.873 ( -0.000 -0.689 0.000) 0.689 13.992 ( 0.000 3.526 0.000) 3.526 14.071 ( -0.000 -4.141 0.000) 4.141 14.279 ( -0.000 1.513 0.000) 1.513 14.281 ( 0.000 -9.319 0.000) 9.319 14.411 ( 0.000 -3.889 0.000) 3.889 14.969 ( 0.000 2.726 0.000) 2.726 15.159 ( 0.000 -1.525 0.000) 1.525 15.568 ( 0.000 0.827 0.000) 0.827 15.592 ( 0.000 0.730 0.000) 0.730 15.712 ( 0.000 1.868 0.000) 1.868 15.882 ( 0.000 -1.339 0.000) 1.339 16.022 ( 0.000 -0.958 0.000) 0.958 16.046 ( 0.000 0.300 0.000) 0.300 ======================= Grid point 34 (19/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 0.000 26.801 0.000) 26.801 1.220 ( 0.000 27.471 0.000) 27.471 1.463 ( 0.000 1.900 0.000) 1.900 1.707 ( 0.000 -19.293 0.000) 19.293 1.734 ( 0.000 -0.669 0.000) 0.669 1.764 ( 0.000 -9.709 0.000) 9.709 2.127 ( 0.000 11.659 0.000) 11.659 2.199 ( 0.000 22.004 0.000) 22.004 2.203 ( 0.000 0.739 0.000) 0.739 2.309 ( 0.000 6.293 0.000) 6.293 2.317 ( 0.000 -8.391 0.000) 8.391 2.433 ( 0.000 23.697 0.000) 23.697 2.580 ( 0.000 -12.748 0.000) 12.748 2.738 ( 0.000 -3.126 0.000) 3.126 2.803 ( 0.000 -2.058 0.000) 2.058 3.007 ( 0.000 0.502 0.000) 0.502 3.142 ( 0.000 -2.341 0.000) 2.341 3.308 ( 0.000 1.928 0.000) 1.928 3.392 ( 0.000 -5.638 0.000) 5.638 3.424 ( 0.000 -8.577 0.000) 8.577 3.517 ( 0.000 1.842 0.000) 1.842 3.538 ( 0.000 0.049 0.000) 0.049 3.629 ( 0.000 -37.329 0.000) 37.329 3.778 ( 0.000 1.555 0.000) 1.555 3.838 ( 0.000 0.583 0.000) 0.583 3.911 ( 0.000 4.837 0.000) 4.837 3.979 ( 0.000 5.400 0.000) 5.400 4.000 ( 0.000 -0.033 0.000) 0.033 4.040 ( 0.000 -1.646 0.000) 1.646 4.148 ( 0.000 -2.402 0.000) 2.402 4.177 ( 0.000 0.683 0.000) 0.683 4.240 ( 0.000 0.482 0.000) 0.482 4.280 ( 0.000 5.849 0.000) 5.849 4.370 ( 0.000 1.520 0.000) 1.520 4.636 ( 0.000 0.834 0.000) 0.834 4.704 ( 0.000 0.916 0.000) 0.916 4.721 ( 0.000 5.915 0.000) 5.915 4.869 ( 0.000 3.615 0.000) 3.615 4.954 ( 0.000 -5.064 0.000) 5.064 4.966 ( 0.000 -0.514 0.000) 0.514 4.990 ( 0.000 -0.533 0.000) 0.533 5.175 ( 0.000 5.560 0.000) 5.560 5.366 ( 0.000 -4.173 0.000) 4.173 5.752 ( 0.000 -5.553 0.000) 5.553 5.920 ( 0.000 -1.846 0.000) 1.846 6.077 ( 0.000 -5.522 0.000) 5.522 6.277 ( 0.000 -2.398 0.000) 2.398 6.288 ( 0.000 -2.976 0.000) 2.976 6.753 ( 0.000 4.120 0.000) 4.120 6.897 ( 0.000 0.954 0.000) 0.954 7.084 ( 0.000 5.763 0.000) 5.763 7.122 ( 0.000 -0.832 0.000) 0.832 7.263 ( 0.000 0.078 0.000) 0.078 7.277 ( 0.000 0.004 0.000) 0.004 7.352 ( 0.000 -6.628 0.000) 6.628 7.528 ( 0.000 -3.683 0.000) 3.683 7.635 ( 0.000 -3.383 0.000) 3.383 7.827 ( 0.000 5.464 0.000) 5.464 8.175 ( 0.000 3.213 0.000) 3.213 8.269 ( 0.000 -0.127 0.000) 0.127 8.276 ( 0.000 1.549 0.000) 1.549 8.276 ( 0.000 -0.090 0.000) 0.090 8.394 ( 0.000 -2.917 0.000) 2.917 8.412 ( 0.000 -0.429 0.000) 0.429 8.883 ( 0.000 -2.806 0.000) 2.806 8.933 ( 0.000 13.376 0.000) 13.376 8.942 ( 0.000 0.036 0.000) 0.036 8.951 ( 0.000 -0.080 0.000) 0.080 9.096 ( 0.000 1.873 0.000) 1.873 9.207 ( 0.000 -11.928 0.000) 11.928 9.307 ( 0.000 3.584 0.000) 3.584 9.392 ( 0.000 0.722 0.000) 0.722 9.461 ( 0.000 0.396 0.000) 0.396 9.532 ( 0.000 0.048 0.000) 0.048 9.618 ( 0.000 -0.134 0.000) 0.134 9.667 ( 0.000 -1.516 0.000) 1.516 9.746 ( 0.000 -0.616 0.000) 0.616 9.771 ( 0.000 -0.696 0.000) 0.696 9.863 ( 0.000 1.854 0.000) 1.854 9.873 ( 0.000 0.982 0.000) 0.982 9.936 ( 0.000 0.098 0.000) 0.098 9.948 ( 0.000 0.706 0.000) 0.706 10.033 ( 0.000 -1.507 0.000) 1.507 10.066 ( 0.000 0.714 0.000) 0.714 10.084 ( 0.000 -0.992 0.000) 0.992 10.197 ( 0.000 -0.442 0.000) 0.442 10.308 ( 0.000 -0.245 0.000) 0.245 10.315 ( 0.000 0.898 0.000) 0.898 10.359 ( 0.000 0.133 0.000) 0.133 10.360 ( 0.000 2.093 0.000) 2.093 10.484 ( 0.000 -0.288 0.000) 0.288 10.519 ( 0.000 4.495 0.000) 4.495 10.546 ( 0.000 -0.028 0.000) 0.028 10.611 ( 0.000 0.038 0.000) 0.038 10.782 ( 0.000 3.217 0.000) 3.217 10.943 ( 0.000 2.626 0.000) 2.626 10.980 ( 0.000 -0.026 0.000) 0.026 11.000 ( 0.000 -0.061 0.000) 0.061 11.059 ( 0.000 0.674 0.000) 0.674 11.223 ( 0.000 -7.596 0.000) 7.596 11.262 ( 0.000 0.091 0.000) 0.091 11.376 ( 0.000 0.937 0.000) 0.937 11.434 ( 0.000 0.060 0.000) 0.060 11.438 ( 0.000 0.071 0.000) 0.071 11.611 ( 0.000 6.154 0.000) 6.154 11.737 ( 0.000 -3.752 0.000) 3.752 12.289 ( 0.000 -2.444 0.000) 2.444 12.367 ( 0.000 -0.414 0.000) 0.414 12.513 ( 0.000 -0.640 0.000) 0.640 12.813 ( 0.000 2.674 0.000) 2.674 12.910 ( 0.000 3.199 0.000) 3.199 13.003 ( 0.000 -6.563 0.000) 6.563 13.651 ( 0.000 0.364 0.000) 0.364 13.933 ( 0.000 -2.114 0.000) 2.114 14.371 ( 0.000 1.532 0.000) 1.532 14.457 ( 0.000 -1.428 0.000) 1.428 14.650 ( 0.000 1.798 0.000) 1.798 14.770 ( 0.000 9.574 0.000) 9.574 14.964 ( 0.000 1.006 0.000) 1.006 15.033 ( 0.000 -7.771 0.000) 7.771 15.173 ( 0.000 4.401 0.000) 4.401 15.314 ( 0.000 -8.627 0.000) 8.627 15.626 ( 0.000 2.955 0.000) 2.955 15.684 ( 0.000 -1.175 0.000) 1.175 15.948 ( 0.000 2.656 0.000) 2.656 15.975 ( 0.000 -1.056 0.000) 1.056 16.162 ( 0.000 1.650 0.000) 1.650 16.297 ( 0.000 -2.729 0.000) 2.729 17.280 ( 0.000 3.935 0.000) 3.935 17.513 ( 0.000 0.648 0.000) 0.648 17.628 ( 0.000 -1.709 0.000) 1.709 17.977 ( 0.000 -1.750 0.000) 1.750 ======================= Grid point 35 (20/54) ======================= q-point: ( 0.06 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 7.942 23.489 0.000) 24.795 1.532 ( 25.064 24.852 0.000) 35.296 1.727 ( 5.021 -14.150 0.000) 15.015 1.831 ( 28.709 1.224 0.000) 28.735 2.000 ( 21.959 -10.194 0.000) 24.210 2.013 ( 23.980 -0.580 0.000) 23.987 2.158 ( 6.016 8.224 0.000) 10.190 2.240 ( 5.220 12.853 0.000) 13.873 2.367 ( 4.964 -6.439 0.000) 8.130 2.451 ( 21.543 1.960 0.000) 21.632 2.485 ( 12.243 12.232 0.000) 17.306 2.529 ( 10.091 -15.558 0.000) 18.544 2.691 ( 16.247 9.487 0.000) 18.814 2.850 ( 10.809 0.936 0.000) 10.850 3.005 ( 17.585 -2.286 0.000) 17.733 3.048 ( 5.383 -1.230 0.000) 5.521 3.211 ( 7.243 4.901 0.000) 8.746 3.309 ( 0.351 2.409 0.000) 2.435 3.393 ( 1.144 -6.878 0.000) 6.972 3.481 ( 7.649 -2.616 0.000) 8.084 3.622 ( 5.863 -19.297 0.000) 20.168 3.746 ( 17.560 -0.269 0.000) 17.562 3.794 ( 21.591 -6.112 0.000) 22.440 3.858 ( 2.444 2.739 0.000) 3.670 3.901 ( 3.575 -3.171 0.000) 4.779 4.022 ( 10.060 3.843 0.000) 10.769 4.080 ( 18.696 -2.088 0.000) 18.813 4.128 ( 4.207 -1.057 0.000) 4.338 4.200 ( 11.080 1.140 0.000) 11.138 4.265 ( 16.084 2.366 0.000) 16.257 4.328 ( 13.562 1.264 0.000) 13.621 4.335 ( 14.824 1.320 0.000) 14.882 4.508 ( 21.241 1.182 0.000) 21.274 4.545 ( 23.795 -1.066 0.000) 23.819 4.705 ( 0.299 5.911 0.000) 5.919 4.829 ( 10.461 1.244 0.000) 10.534 4.860 ( 10.744 -0.524 0.000) 10.757 4.887 ( 11.825 3.305 0.000) 12.278 4.997 ( 6.646 -2.223 0.000) 7.008 5.132 ( 16.982 -0.379 0.000) 16.986 5.153 ( 14.335 0.445 0.000) 14.342 5.224 ( 6.035 2.626 0.000) 6.581 5.370 ( 2.113 -4.457 0.000) 4.933 5.770 ( 2.392 -4.614 0.000) 5.197 5.886 ( -2.598 -0.537 0.000) 2.653 6.028 ( -4.033 -6.556 0.000) 7.698 6.242 ( -2.808 -2.123 0.000) 3.520 6.261 ( -2.143 -5.328 0.000) 5.742 6.739 ( -1.078 4.431 0.000) 4.560 6.873 ( -2.032 1.596 0.000) 2.584 7.061 ( -2.021 5.565 0.000) 5.921 7.075 ( -4.150 -0.346 0.000) 4.164 7.273 ( -6.449 -6.958 0.000) 9.487 7.464 ( -5.093 -2.211 0.000) 5.552 7.523 ( 11.360 -1.518 0.000) 11.461 7.561 ( 27.272 -0.013 0.000) 27.272 7.644 ( 12.063 -0.386 0.000) 12.070 7.782 ( -3.438 4.812 0.000) 5.914 8.091 ( -7.831 5.878 0.000) 9.791 8.189 ( -8.605 1.959 0.000) 8.826 8.234 ( -7.646 -0.339 0.000) 7.654 8.299 ( -6.111 -1.503 0.000) 6.293 8.506 ( 20.329 0.013 0.000) 20.329 8.512 ( 18.451 -0.390 0.000) 18.455 8.790 ( -6.920 -2.794 0.000) 7.462 8.847 ( -6.193 10.010 0.000) 11.771 9.005 ( -4.625 -4.122 0.000) 6.195 9.019 ( -7.027 1.552 0.000) 7.196 9.219 ( -2.771 4.051 0.000) 4.908 9.243 ( 9.499 -1.602 0.000) 9.633 9.269 ( 19.219 -1.105 0.000) 19.251 9.507 ( -8.417 0.964 0.000) 8.472 9.559 ( 12.837 1.105 0.000) 12.885 9.615 ( 10.230 -0.086 0.000) 10.231 9.717 ( 10.107 1.084 0.000) 10.165 9.740 ( 5.048 -0.637 0.000) 5.088 9.779 ( 5.278 -1.074 0.000) 5.386 9.794 ( 5.054 -4.171 0.000) 6.553 9.872 ( 4.663 -0.424 0.000) 4.682 9.954 ( 3.563 0.176 0.000) 3.567 9.984 ( 11.103 -0.121 0.000) 11.104 10.068 ( 7.192 1.262 0.000) 7.302 10.102 ( 5.640 -1.231 0.000) 5.773 10.163 ( 6.959 0.460 0.000) 6.974 10.188 ( 9.844 -0.794 0.000) 9.876 10.226 ( 7.174 0.483 0.000) 7.190 10.287 ( -0.874 -0.345 0.000) 0.940 10.349 ( 1.420 1.374 0.000) 1.976 10.414 ( 6.684 -0.784 0.000) 6.729 10.450 ( 4.161 1.575 0.000) 4.449 10.517 ( 5.436 -1.066 0.000) 5.540 10.557 ( 7.884 2.473 0.000) 8.263 10.629 ( 7.011 -0.003 0.000) 7.011 10.681 ( 5.640 0.839 0.000) 5.702 10.832 ( 5.206 3.787 0.000) 6.437 10.931 ( 0.216 0.985 0.000) 1.008 11.010 ( 1.975 -0.917 0.000) 2.177 11.063 ( 5.033 -2.234 0.000) 5.507 11.112 ( 4.159 -0.890 0.000) 4.253 11.219 ( -0.875 0.980 0.000) 1.314 11.285 ( 4.047 -1.108 0.000) 4.196 11.342 ( 0.224 -2.959 0.000) 2.967 11.488 ( 4.761 0.651 0.000) 4.805 11.548 ( 8.594 0.418 0.000) 8.604 11.629 ( 1.861 6.565 0.000) 6.823 11.757 ( 2.007 -4.366 0.000) 4.806 12.288 ( -0.170 -3.027 0.000) 3.032 12.376 ( 0.960 -0.595 0.000) 1.129 12.568 ( 4.534 -0.423 0.000) 4.554 12.856 ( 3.841 -0.154 0.000) 3.844 12.909 ( -0.151 3.401 0.000) 3.405 13.028 ( 2.917 -4.865 0.000) 5.672 13.616 ( -3.447 0.434 0.000) 3.474 13.885 ( -4.922 -2.321 0.000) 5.442 14.320 ( -5.263 0.943 0.000) 5.347 14.424 ( -3.226 -0.814 0.000) 3.327 14.625 ( -2.986 3.013 0.000) 4.242 14.700 ( -6.900 8.300 0.000) 10.793 14.902 ( -6.392 0.726 0.000) 6.434 14.968 ( -6.494 -8.427 0.000) 10.639 15.096 ( -7.771 4.939 0.000) 9.208 15.244 ( -7.207 -8.835 0.000) 11.402 15.578 ( -4.690 2.220 0.000) 5.189 15.617 ( -6.628 -1.210 0.000) 6.737 15.864 ( -8.638 3.173 0.000) 9.203 15.900 ( -7.296 -1.598 0.000) 7.469 16.083 ( -7.505 1.166 0.000) 7.595 16.251 ( -4.332 -3.847 0.000) 5.794 17.156 ( -11.749 2.885 0.000) 12.098 17.421 ( -9.073 1.209 0.000) 9.154 17.447 ( -16.317 0.372 0.000) 16.321 17.836 ( -13.198 -1.140 0.000) 13.247 ======================= Grid point 36 (21/54) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 16.610 14.822 0.000) 22.262 1.852 ( 8.935 -5.622 0.000) 10.557 1.960 ( 19.789 23.539 0.000) 30.753 2.237 ( 10.153 6.374 0.000) 11.988 2.279 ( 5.462 0.770 0.000) 5.516 2.414 ( 18.820 -3.069 0.000) 19.068 2.458 ( 14.986 -2.392 0.000) 15.176 2.522 ( 17.917 -2.498 0.000) 18.091 2.622 ( 7.196 -20.972 0.000) 22.172 2.651 ( 28.734 -6.706 0.000) 29.506 2.933 ( 29.156 -0.938 0.000) 29.171 3.025 ( 18.235 0.946 0.000) 18.259 3.040 ( 30.704 3.436 0.000) 30.895 3.205 ( 11.165 1.470 0.000) 11.261 3.232 ( 19.335 1.323 0.000) 19.380 3.317 ( 10.649 7.811 0.000) 13.207 3.358 ( 12.083 1.893 0.000) 12.230 3.461 ( 14.712 -2.484 0.000) 14.921 3.526 ( 20.092 4.222 0.000) 20.531 3.758 ( 18.660 0.925 0.000) 18.683 3.814 ( 13.873 -12.215 0.000) 18.484 3.870 ( 4.003 1.877 0.000) 4.421 3.933 ( 6.275 -1.565 0.000) 6.467 4.058 ( 2.517 2.339 0.000) 3.436 4.108 ( 7.214 0.430 0.000) 7.226 4.208 ( 4.795 1.168 0.000) 4.935 4.411 ( 28.594 0.681 0.000) 28.602 4.492 ( 22.195 -0.031 0.000) 22.195 4.585 ( 9.621 -1.514 0.000) 9.739 4.658 ( 30.782 2.363 0.000) 30.872 4.688 ( 16.992 6.462 0.000) 18.179 4.741 ( 15.753 1.133 0.000) 15.793 4.806 ( 30.676 -2.746 0.000) 30.799 4.971 ( 22.986 9.127 0.000) 24.732 5.077 ( 14.285 -1.581 0.000) 14.372 5.130 ( 30.805 -2.513 0.000) 30.907 5.201 ( 32.161 -2.712 0.000) 32.275 5.241 ( 22.230 -4.603 0.000) 22.701 5.300 ( 11.660 1.531 0.000) 11.760 5.423 ( 27.711 0.098 0.000) 27.711 5.489 ( 19.914 -0.113 0.000) 19.914 5.548 ( 17.937 -2.616 0.000) 18.126 5.678 ( 31.882 1.622 0.000) 31.923 5.834 ( 4.130 -3.691 0.000) 5.539 5.906 ( 6.432 -0.084 0.000) 6.433 6.011 ( 7.723 -5.439 0.000) 9.446 6.207 ( 0.175 -4.527 0.000) 4.531 6.250 ( 3.701 -7.100 0.000) 8.006 6.735 ( 1.565 5.413 0.000) 5.635 6.834 ( -1.418 2.410 0.000) 2.796 6.984 ( -4.033 0.103 0.000) 4.035 7.028 ( -0.963 3.068 0.000) 3.216 7.143 ( -5.710 -5.497 0.000) 7.926 7.345 ( -6.192 -0.133 0.000) 6.193 7.504 ( -2.760 -2.479 0.000) 3.710 7.674 ( -5.126 4.098 0.000) 6.563 7.887 ( -9.780 8.005 0.000) 12.638 7.989 ( -9.955 -0.489 0.000) 9.967 8.033 ( -6.841 5.642 0.000) 8.867 8.145 ( -8.866 -3.533 0.000) 9.544 8.276 ( 32.551 -1.385 0.000) 32.581 8.302 ( 35.587 -1.981 0.000) 35.643 8.645 ( -4.022 -1.604 0.000) 4.330 8.680 ( -7.990 8.079 0.000) 11.363 8.812 ( -9.285 -2.413 0.000) 9.593 8.850 ( -6.945 -0.313 0.000) 6.952 8.891 ( 5.466 -0.331 0.000) 5.476 9.039 ( 27.509 -0.099 0.000) 27.509 9.213 ( 13.637 2.936 0.000) 13.949 9.255 ( -9.409 1.638 0.000) 9.550 9.509 ( 8.910 1.082 0.000) 8.975 9.602 ( -0.923 -0.979 0.000) 1.346 9.673 ( 3.650 0.583 0.000) 3.696 9.702 ( -0.635 -0.015 0.000) 0.635 9.779 ( 5.048 1.019 0.000) 5.150 9.805 ( 7.160 -1.166 0.000) 7.255 9.984 ( 8.743 0.535 0.000) 8.759 10.001 ( 9.635 0.200 0.000) 9.637 10.072 ( 8.734 2.728 0.000) 9.150 10.115 ( 8.275 -1.793 0.000) 8.467 10.200 ( 8.178 0.767 0.000) 8.214 10.224 ( 6.589 0.020 0.000) 6.589 10.243 ( 13.260 -0.400 0.000) 13.266 10.264 ( 11.434 0.917 0.000) 11.471 10.342 ( 7.585 -0.399 0.000) 7.596 10.434 ( 11.826 0.176 0.000) 11.827 10.448 ( 13.929 2.994 0.000) 14.248 10.480 ( 11.404 1.754 0.000) 11.538 10.530 ( 8.063 0.160 0.000) 8.064 10.570 ( 9.107 -3.906 0.000) 9.909 10.662 ( 5.558 -1.489 0.000) 5.754 10.744 ( 8.754 -1.561 0.000) 8.892 10.779 ( 4.627 -0.649 0.000) 4.672 10.849 ( 15.259 0.626 0.000) 15.272 10.944 ( 6.811 2.832 0.000) 7.376 10.987 ( 6.465 -1.740 0.000) 6.695 11.070 ( 3.900 2.299 0.000) 4.527 11.146 ( 2.764 -4.362 0.000) 5.164 11.214 ( 6.796 -0.425 0.000) 6.809 11.225 ( 2.288 1.281 0.000) 2.622 11.369 ( 6.866 -1.535 0.000) 7.035 11.454 ( 9.340 -0.115 0.000) 9.341 11.609 ( 6.135 2.320 0.000) 6.559 11.708 ( 7.983 4.634 0.000) 9.231 11.743 ( 10.281 0.134 0.000) 10.282 11.821 ( 5.968 -5.226 0.000) 7.933 12.278 ( -1.008 -3.103 0.000) 3.263 12.405 ( 2.009 -1.322 0.000) 2.405 12.647 ( 3.187 1.325 0.000) 3.451 12.900 ( -0.026 2.802 0.000) 2.802 12.935 ( 3.114 -2.386 0.000) 3.923 13.127 ( 6.828 -1.397 0.000) 6.969 13.529 ( -5.018 0.846 0.000) 5.089 13.745 ( -9.317 -2.854 0.000) 9.744 14.170 ( -9.942 -0.204 0.000) 9.944 14.339 ( -5.357 0.674 0.000) 5.399 14.476 ( -12.545 7.965 0.000) 14.860 14.552 ( -8.524 1.312 0.000) 8.624 14.719 ( -12.362 0.337 0.000) 12.366 14.800 ( -9.872 -6.078 0.000) 11.594 14.890 ( -12.300 2.368 0.000) 12.526 15.037 ( -13.811 -6.250 0.000) 15.160 15.437 ( -10.844 0.769 0.000) 10.871 15.467 ( -6.840 -0.328 0.000) 6.848 15.629 ( -14.688 3.062 0.000) 15.004 15.709 ( -11.621 -1.391 0.000) 11.704 15.909 ( -9.469 2.119 0.000) 9.703 16.148 ( -5.815 -7.565 0.000) 9.542 16.877 ( -15.711 1.273 0.000) 15.763 17.081 ( -19.788 1.203 0.000) 19.824 17.188 ( -14.205 1.697 0.000) 14.306 17.512 ( -19.165 -1.410 0.000) 19.216 ======================= Grid point 37 (22/54) ======================= q-point: ( 0.19 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 15.979 4.210 0.000) 16.524 2.062 ( 12.763 3.884 0.000) 13.341 2.341 ( 18.519 15.848 0.000) 24.374 2.381 ( 8.625 -4.449 0.000) 9.705 2.486 ( 15.191 8.219 0.000) 17.272 2.656 ( 8.718 -0.859 0.000) 8.760 2.731 ( 13.200 -10.721 0.000) 17.005 2.796 ( 13.417 -12.475 0.000) 18.321 2.912 ( 17.256 1.114 0.000) 17.292 3.080 ( 16.884 -9.621 0.000) 19.433 3.254 ( 5.734 3.327 0.000) 6.629 3.371 ( 12.112 4.157 0.000) 12.806 3.405 ( 8.927 -1.526 0.000) 9.057 3.457 ( 11.669 -0.270 0.000) 11.672 3.548 ( 24.746 -3.084 0.000) 24.937 3.729 ( 18.703 -0.341 0.000) 18.706 3.770 ( 13.495 2.728 0.000) 13.768 3.800 ( 26.620 -0.137 0.000) 26.620 3.938 ( 14.935 1.830 0.000) 15.047 4.017 ( 4.247 -1.244 0.000) 4.425 4.091 ( 22.293 2.255 0.000) 22.407 4.133 ( 20.485 -3.101 0.000) 20.718 4.204 ( 20.597 1.412 0.000) 20.645 4.229 ( 18.827 -0.511 0.000) 18.834 4.293 ( 13.342 5.074 0.000) 14.274 4.362 ( 14.815 0.136 0.000) 14.815 4.613 ( 5.130 2.164 0.000) 5.568 4.672 ( 4.998 0.469 0.000) 5.020 4.815 ( 12.985 1.559 0.000) 13.078 4.930 ( 6.427 9.315 0.000) 11.318 5.130 ( 7.550 1.744 0.000) 7.748 5.288 ( 18.577 -5.065 0.000) 19.255 5.391 ( 25.993 1.735 0.000) 26.051 5.445 ( 23.052 -2.230 0.000) 23.159 5.495 ( 20.711 0.850 0.000) 20.729 5.535 ( 26.232 -4.406 0.000) 26.600 5.660 ( 13.531 0.659 0.000) 13.547 5.711 ( 18.825 -6.734 0.000) 19.993 5.763 ( 26.393 3.367 0.000) 26.607 5.876 ( 29.568 5.161 0.000) 30.015 5.924 ( 22.551 -1.644 0.000) 22.611 6.053 ( 24.928 1.145 0.000) 24.955 6.080 ( 27.160 -2.318 0.000) 27.259 6.143 ( 17.628 -1.651 0.000) 17.705 6.262 ( 14.093 -6.829 0.000) 15.661 6.349 ( 30.517 -2.578 0.000) 30.626 6.521 ( 37.112 -2.784 0.000) 37.216 6.576 ( 30.559 -1.008 0.000) 30.576 6.829 ( 8.382 5.569 0.000) 10.064 6.894 ( 9.191 -0.285 0.000) 9.195 6.969 ( 5.710 -2.974 0.000) 6.438 7.069 ( 7.836 1.872 0.000) 8.056 7.101 ( 3.429 -2.560 0.000) 4.279 7.248 ( -2.685 0.432 0.000) 2.719 7.502 ( 3.877 0.748 0.000) 3.948 7.601 ( -1.337 -0.028 0.000) 1.337 7.689 ( -9.025 8.435 0.000) 12.353 7.774 ( -10.184 -0.287 0.000) 10.188 7.852 ( -9.282 2.504 0.000) 9.614 7.959 ( -9.542 -5.405 0.000) 10.967 8.363 ( -9.122 0.933 0.000) 9.169 8.481 ( -10.499 4.808 0.000) 11.548 8.577 ( -11.530 -0.434 0.000) 11.539 8.642 ( -7.854 -1.087 0.000) 7.929 8.659 ( -8.963 -1.267 0.000) 9.053 8.909 ( -5.666 0.229 0.000) 5.671 9.263 ( 26.595 2.158 0.000) 26.683 9.295 ( 39.391 -0.007 0.000) 39.391 9.476 ( -4.929 2.265 0.000) 5.424 9.491 ( 0.916 0.111 0.000) 0.923 9.569 ( 12.390 -0.736 0.000) 12.412 9.607 ( -5.544 -0.326 0.000) 5.554 9.705 ( 21.866 1.029 0.000) 21.890 9.749 ( 11.389 0.259 0.000) 11.392 9.924 ( 3.316 1.407 0.000) 3.602 9.934 ( 2.414 0.298 0.000) 2.432 10.058 ( 2.733 0.965 0.000) 2.898 10.095 ( 4.263 -2.622 0.000) 5.005 10.182 ( -0.871 1.485 0.000) 1.722 10.237 ( 5.239 5.477 0.000) 7.580 10.281 ( 6.868 0.387 0.000) 6.879 10.396 ( 10.248 5.273 0.000) 11.525 10.484 ( 10.058 -2.810 0.000) 10.443 10.508 ( 9.000 -3.532 0.000) 9.669 10.594 ( 1.699 0.622 0.000) 1.810 10.622 ( 7.658 -0.728 0.000) 7.693 10.670 ( 12.794 -1.578 0.000) 12.891 10.699 ( 11.868 1.797 0.000) 12.003 10.718 ( 12.595 -1.678 0.000) 12.706 10.741 ( 6.079 -1.116 0.000) 6.180 10.822 ( 11.861 -0.389 0.000) 11.868 10.873 ( 11.421 0.549 0.000) 11.434 10.900 ( 4.854 -4.775 0.000) 6.808 11.081 ( 10.402 -2.690 0.000) 10.744 11.149 ( 5.602 2.812 0.000) 6.268 11.189 ( 14.531 3.841 0.000) 15.030 11.210 ( 6.525 -1.676 0.000) 6.737 11.264 ( 14.481 -0.477 0.000) 14.489 11.300 ( 6.848 -1.038 0.000) 6.926 11.340 ( 10.576 -2.311 0.000) 10.826 11.605 ( 14.914 1.985 0.000) 15.046 11.666 ( 10.828 1.279 0.000) 10.904 11.728 ( 9.783 2.368 0.000) 10.065 11.814 ( 2.756 -1.885 0.000) 3.339 11.993 ( 14.698 2.141 0.000) 14.853 12.055 ( 15.730 -3.319 0.000) 16.076 12.259 ( 0.195 -2.224 0.000) 2.233 12.441 ( 1.197 -2.257 0.000) 2.555 12.695 ( 2.061 1.554 0.000) 2.581 12.908 ( 1.041 3.050 0.000) 3.223 12.982 ( 1.851 -1.643 0.000) 2.475 13.235 ( 2.315 -0.486 0.000) 2.365 13.452 ( -2.808 3.421 0.000) 4.426 13.550 ( -8.727 -4.644 0.000) 9.886 13.950 ( -12.189 -1.672 0.000) 12.303 14.169 ( -14.451 4.890 0.000) 15.256 14.243 ( -8.285 2.755 0.000) 8.731 14.319 ( -14.495 -1.825 0.000) 14.609 14.420 ( -17.712 0.816 0.000) 17.731 14.592 ( -11.639 1.051 0.000) 11.687 14.669 ( -12.721 -6.122 0.000) 14.118 14.750 ( -12.094 0.927 0.000) 12.129 15.197 ( -13.381 3.195 0.000) 13.757 15.321 ( -14.984 0.480 0.000) 14.991 15.345 ( -7.126 -1.569 0.000) 7.296 15.490 ( -9.857 0.066 0.000) 9.857 15.741 ( -7.385 5.625 0.000) 9.284 16.033 ( -5.972 -10.833 0.000) 12.370 16.574 ( -15.085 0.368 0.000) 15.089 16.707 ( -18.366 0.245 0.000) 18.368 16.895 ( -15.430 1.847 0.000) 15.540 17.124 ( -20.084 -1.749 0.000) 20.160 ======================= Grid point 38 (23/54) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 9.559 0.388 0.000) 9.567 2.335 ( 13.490 3.197 0.000) 13.864 2.568 ( 11.932 -1.668 0.000) 12.048 2.725 ( 19.115 6.258 0.000) 20.113 2.758 ( 8.829 1.919 0.000) 9.036 2.862 ( 15.562 3.470 0.000) 15.945 2.979 ( 13.029 -5.168 0.000) 14.017 3.084 ( 14.240 -10.485 0.000) 17.684 3.207 ( 13.138 4.610 0.000) 13.923 3.298 ( 8.393 -2.273 0.000) 8.695 3.460 ( 15.197 -3.084 0.000) 15.507 3.560 ( 9.698 3.523 0.000) 10.318 3.624 ( 11.933 -2.105 0.000) 12.118 3.669 ( 9.866 2.486 0.000) 10.175 3.779 ( 4.813 -3.858 0.000) 6.169 3.919 ( 5.866 0.516 0.000) 5.889 3.984 ( 4.109 2.464 0.000) 4.791 4.079 ( 5.675 1.521 0.000) 5.875 4.185 ( 13.394 -3.609 0.000) 13.872 4.221 ( 9.478 -3.976 0.000) 10.279 4.437 ( 11.074 1.653 0.000) 11.197 4.478 ( 14.295 8.560 0.000) 16.663 4.564 ( 20.781 1.869 0.000) 20.865 4.699 ( 24.310 -4.178 0.000) 24.666 4.744 ( 21.564 3.236 0.000) 21.806 4.760 ( 16.833 -0.254 0.000) 16.835 4.803 ( 24.211 1.788 0.000) 24.277 4.867 ( 13.773 -1.917 0.000) 13.906 4.971 ( 0.227 1.676 0.000) 1.691 5.081 ( 12.034 3.105 0.000) 12.429 5.287 ( 10.596 -2.393 0.000) 10.862 5.435 ( 4.295 -0.666 0.000) 4.347 5.558 ( 4.261 -0.979 0.000) 4.372 5.620 ( 4.970 -1.343 0.000) 5.149 5.766 ( 10.892 -1.828 0.000) 11.045 5.856 ( -0.029 3.120 0.000) 3.120 5.940 ( 8.980 1.150 0.000) 9.054 6.049 ( 6.945 1.873 0.000) 7.193 6.188 ( 9.965 -3.321 0.000) 10.504 6.288 ( 8.207 -1.817 0.000) 8.406 6.446 ( 34.667 4.170 0.000) 34.917 6.495 ( 33.362 -0.192 0.000) 33.363 6.602 ( 23.325 -0.527 0.000) 23.331 6.679 ( 20.249 -3.831 0.000) 20.608 6.794 ( 24.857 1.869 0.000) 24.927 6.837 ( 23.431 -2.438 0.000) 23.558 6.841 ( 11.263 -1.898 0.000) 11.422 6.988 ( 7.730 -1.125 0.000) 7.812 7.094 ( 7.675 1.296 0.000) 7.783 7.168 ( 0.286 -1.323 0.000) 1.353 7.313 ( 28.503 4.283 0.000) 28.824 7.394 ( 33.219 0.301 0.000) 33.221 7.476 ( 19.116 0.725 0.000) 19.130 7.490 ( 24.539 -3.334 0.000) 24.764 7.541 ( 8.249 1.328 0.000) 8.355 7.601 ( 7.647 2.270 0.000) 7.977 7.679 ( -2.193 0.588 0.000) 2.270 7.725 ( 7.647 -2.706 0.000) 8.112 7.861 ( 18.920 -0.566 0.000) 18.929 7.892 ( 13.334 -3.532 0.000) 13.794 8.202 ( -5.896 2.360 0.000) 6.350 8.303 ( -4.839 1.832 0.000) 5.174 8.349 ( -10.749 -0.594 0.000) 10.766 8.450 ( -9.791 -0.735 0.000) 9.818 8.539 ( 1.014 1.011 0.000) 1.432 8.712 ( -8.624 1.603 0.000) 8.771 9.255 ( -10.719 2.983 0.000) 11.126 9.299 ( -10.223 -1.405 0.000) 10.319 9.464 ( -7.312 1.019 0.000) 7.383 9.598 ( -0.478 -1.005 0.000) 1.113 9.831 ( -4.309 3.790 0.000) 5.739 9.906 ( 4.737 1.620 0.000) 5.007 9.961 ( 12.189 -0.061 0.000) 12.189 10.009 ( 13.649 2.837 0.000) 13.940 10.063 ( 15.932 -0.537 0.000) 15.941 10.092 ( 8.644 -2.274 0.000) 8.939 10.111 ( 1.810 1.381 0.000) 2.276 10.161 ( 6.878 0.384 0.000) 6.888 10.177 ( 3.066 -1.232 0.000) 3.305 10.362 ( 11.110 4.909 0.000) 12.146 10.427 ( 6.994 4.085 0.000) 8.099 10.505 ( 0.577 -2.002 0.000) 2.084 10.565 ( 0.805 -4.547 0.000) 4.618 10.614 ( 2.774 -2.353 0.000) 3.638 10.660 ( 4.081 -3.337 0.000) 5.271 10.775 ( 11.789 0.493 0.000) 11.799 10.842 ( 5.904 0.280 0.000) 5.911 10.881 ( 4.935 0.417 0.000) 4.952 10.901 ( 12.290 -1.524 0.000) 12.384 10.953 ( 13.463 -1.454 0.000) 13.541 11.005 ( 8.720 -1.645 0.000) 8.874 11.063 ( 7.602 -3.079 0.000) 8.202 11.154 ( 15.593 0.735 0.000) 15.610 11.190 ( 3.165 1.240 0.000) 3.400 11.316 ( 7.369 0.370 0.000) 7.378 11.382 ( 11.904 2.579 0.000) 12.180 11.421 ( 11.324 -0.051 0.000) 11.324 11.465 ( 8.855 -1.119 0.000) 8.926 11.475 ( 13.737 -0.436 0.000) 13.744 11.751 ( 18.462 2.443 0.000) 18.623 11.812 ( 5.959 0.842 0.000) 6.019 11.864 ( 9.733 0.147 0.000) 9.734 11.899 ( 10.105 -1.236 0.000) 10.180 12.027 ( 17.308 2.220 0.000) 17.450 12.197 ( 10.174 -3.906 0.000) 10.898 12.354 ( 7.666 1.407 0.000) 7.794 12.391 ( 15.815 0.733 0.000) 15.832 12.474 ( 5.214 -4.880 0.000) 7.141 12.742 ( 3.059 0.289 0.000) 3.072 12.922 ( -0.237 -0.251 0.000) 0.345 13.032 ( 3.859 2.996 0.000) 4.886 13.217 ( -2.449 -0.175 0.000) 2.455 13.325 ( -7.454 -0.805 0.000) 7.497 13.508 ( -0.116 0.706 0.000) 0.716 13.727 ( -9.946 -4.719 0.000) 11.009 13.886 ( -12.970 4.679 0.000) 13.788 14.037 ( -13.820 -3.509 0.000) 14.258 14.071 ( -11.797 3.450 0.000) 12.291 14.101 ( -10.957 0.617 0.000) 10.974 14.338 ( -16.895 -3.637 0.000) 17.282 14.393 ( -9.575 -0.834 0.000) 9.611 14.599 ( -6.555 4.930 0.000) 8.202 14.931 ( -13.560 3.473 0.000) 13.998 15.016 ( -15.266 -1.950 0.000) 15.390 15.240 ( -4.232 -2.351 0.000) 4.842 15.344 ( -5.563 2.470 0.000) 6.087 15.632 ( -3.853 7.728 0.000) 8.635 15.915 ( -6.142 -11.193 0.000) 12.768 16.300 ( -12.929 0.833 0.000) 12.956 16.379 ( -15.129 -1.319 0.000) 15.186 16.606 ( -13.914 1.760 0.000) 14.025 16.752 ( -17.813 -1.963 0.000) 17.920 ======================= Grid point 39 (24/54) ======================= q-point: ( 0.31 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 8.348 0.136 0.000) 8.350 2.547 ( 8.449 0.332 0.000) 8.455 2.796 ( 10.330 -0.010 0.000) 10.330 2.886 ( 5.858 -0.029 0.000) 5.858 3.087 ( 17.163 3.769 0.000) 17.572 3.155 ( 12.768 0.805 0.000) 12.793 3.226 ( 11.446 0.386 0.000) 11.452 3.289 ( 7.758 -5.993 0.000) 9.803 3.450 ( 12.878 0.619 0.000) 12.893 3.536 ( 14.770 -0.598 0.000) 14.782 3.734 ( 11.462 -1.107 0.000) 11.516 3.764 ( 10.001 4.063 0.000) 10.795 3.841 ( 8.446 -0.322 0.000) 8.452 3.850 ( 10.413 -1.207 0.000) 10.483 3.875 ( 7.251 -0.465 0.000) 7.266 3.995 ( 2.186 -0.508 0.000) 2.245 4.059 ( 5.895 0.438 0.000) 5.912 4.191 ( 6.351 -0.541 0.000) 6.374 4.337 ( 4.418 -2.501 0.000) 5.077 4.386 ( 8.359 -1.201 0.000) 8.445 4.584 ( 5.435 2.707 0.000) 6.072 4.701 ( 7.608 8.527 0.000) 11.428 4.845 ( 4.076 4.514 0.000) 6.082 4.941 ( 4.968 1.336 0.000) 5.145 4.976 ( 4.261 -0.940 0.000) 4.363 5.031 ( 7.785 -4.609 0.000) 9.047 5.099 ( 12.238 -1.475 0.000) 12.327 5.169 ( 10.742 -7.108 0.000) 12.881 5.268 ( 15.931 0.457 0.000) 15.937 5.310 ( 19.472 -2.837 0.000) 19.678 5.451 ( 5.712 3.395 0.000) 6.645 5.506 ( 4.958 -1.807 0.000) 5.277 5.734 ( 5.413 5.161 0.000) 7.479 5.823 ( 12.759 2.658 0.000) 13.033 5.855 ( 5.595 3.076 0.000) 6.385 5.939 ( 10.257 -0.984 0.000) 10.304 6.036 ( 2.428 -0.397 0.000) 2.460 6.163 ( 7.873 -5.766 0.000) 9.759 6.249 ( 1.117 -1.295 0.000) 1.710 6.370 ( 3.014 1.808 0.000) 3.515 6.707 ( -0.654 -2.719 0.000) 2.796 6.840 ( 0.239 4.135 0.000) 4.142 6.882 ( 3.522 -0.745 0.000) 3.600 6.898 ( 0.377 0.170 0.000) 0.413 7.030 ( 8.305 -1.731 0.000) 8.484 7.057 ( 0.397 0.275 0.000) 0.483 7.088 ( 7.318 -0.412 0.000) 7.330 7.256 ( 0.373 -1.180 0.000) 1.238 7.325 ( 27.926 1.830 0.000) 27.986 7.400 ( 17.036 1.648 0.000) 17.116 7.508 ( 7.828 3.047 0.000) 8.400 7.609 ( 13.615 -4.561 0.000) 14.359 7.687 ( -1.850 -0.485 0.000) 1.913 7.769 ( 1.669 -3.417 0.000) 3.803 7.815 ( 10.090 -0.825 0.000) 10.123 7.897 ( 10.262 -0.406 0.000) 10.270 8.050 ( 17.603 2.798 0.000) 17.824 8.114 ( 23.705 1.895 0.000) 23.780 8.138 ( 4.748 -0.884 0.000) 4.830 8.165 ( 16.229 -0.901 0.000) 16.254 8.291 ( 12.359 0.386 0.000) 12.365 8.316 ( 8.928 0.097 0.000) 8.928 8.450 ( 26.234 2.179 0.000) 26.324 8.605 ( 24.704 -1.386 0.000) 24.743 8.785 ( 25.132 0.225 0.000) 25.133 8.864 ( 27.135 -0.089 0.000) 27.135 9.030 ( -10.503 2.351 0.000) 10.763 9.118 ( -6.684 -1.800 0.000) 6.922 9.339 ( -4.073 2.593 0.000) 4.829 9.549 ( -3.590 1.269 0.000) 3.807 9.751 ( -3.307 4.867 0.000) 5.884 9.915 ( -1.729 1.165 0.000) 2.084 10.034 ( -0.301 0.021 0.000) 0.302 10.060 ( 0.064 -1.673 0.000) 1.674 10.097 ( 0.006 1.933 0.000) 1.933 10.176 ( 3.078 2.231 0.000) 3.801 10.212 ( 3.320 -3.163 0.000) 4.585 10.225 ( 2.145 -2.836 0.000) 3.556 10.354 ( 0.032 5.348 0.000) 5.348 10.446 ( 5.425 1.049 0.000) 5.526 10.506 ( -0.911 -8.243 0.000) 8.293 10.528 ( -1.901 -3.623 0.000) 4.091 10.592 ( 1.415 -1.868 0.000) 2.343 10.644 ( 1.657 -3.342 0.000) 3.730 10.782 ( 5.161 6.201 0.000) 8.068 10.908 ( 1.195 -0.937 0.000) 1.518 10.959 ( 2.774 -4.446 0.000) 5.240 11.010 ( 2.067 3.577 0.000) 4.131 11.062 ( 6.374 1.262 0.000) 6.498 11.117 ( 2.390 -4.371 0.000) 4.981 11.209 ( 9.856 -2.423 0.000) 10.150 11.276 ( 11.475 0.760 0.000) 11.500 11.322 ( 5.806 3.259 0.000) 6.658 11.377 ( 14.334 -0.913 0.000) 14.363 11.506 ( 2.730 1.039 0.000) 2.921 11.541 ( 7.705 4.410 0.000) 8.878 11.613 ( 13.441 3.372 0.000) 13.857 11.692 ( 17.838 4.356 0.000) 18.362 11.739 ( 1.184 -3.013 0.000) 3.237 11.806 ( 13.480 -1.850 0.000) 13.606 12.031 ( 9.518 -3.998 0.000) 10.324 12.148 ( 14.602 0.391 0.000) 14.607 12.154 ( 14.732 -1.723 0.000) 14.833 12.364 ( 16.165 0.996 0.000) 16.195 12.443 ( 7.967 3.070 0.000) 8.538 12.492 ( 14.849 -3.875 0.000) 15.346 12.623 ( 7.003 -3.557 0.000) 7.855 12.662 ( 10.239 0.493 0.000) 10.251 12.816 ( 4.289 -1.736 0.000) 4.626 12.917 ( 0.616 -1.669 0.000) 1.779 13.111 ( 3.448 7.490 0.000) 8.246 13.175 ( -1.042 0.783 0.000) 1.303 13.240 ( -0.611 -3.801 0.000) 3.850 13.474 ( -1.873 1.940 0.000) 2.697 13.564 ( -7.098 -2.717 0.000) 7.601 13.692 ( -7.002 3.580 0.000) 7.864 13.818 ( -7.263 -0.332 0.000) 7.271 13.875 ( -7.668 0.037 0.000) 7.668 13.978 ( -4.146 1.075 0.000) 4.283 14.041 ( -11.362 -4.853 0.000) 12.355 14.244 ( -6.206 -1.200 0.000) 6.320 14.462 ( -7.582 8.043 0.000) 11.053 14.684 ( -11.558 2.260 0.000) 11.777 14.735 ( -13.505 -6.220 0.000) 14.869 15.184 ( -1.735 -0.059 0.000) 1.736 15.249 ( -4.584 3.869 0.000) 5.999 15.585 ( -1.209 6.570 0.000) 6.680 15.794 ( -6.231 -9.149 0.000) 11.069 16.073 ( -10.509 2.537 0.000) 10.811 16.129 ( -10.340 -3.335 0.000) 10.864 16.364 ( -10.878 1.558 0.000) 10.989 16.442 ( -13.912 -2.091 0.000) 14.069 ======================= Grid point 40 (25/54) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 7.014 0.207 0.000) 7.017 2.670 ( 4.378 0.059 0.000) 4.379 2.951 ( 5.705 0.283 0.000) 5.712 2.998 ( 5.639 0.024 0.000) 5.639 3.319 ( 6.681 1.706 0.000) 6.896 3.352 ( 6.142 -1.526 0.000) 6.329 3.427 ( 10.908 0.854 0.000) 10.942 3.455 ( 8.784 -0.640 0.000) 8.808 3.676 ( 10.016 -0.418 0.000) 10.025 3.826 ( 12.869 0.987 0.000) 12.907 3.865 ( 3.359 0.174 0.000) 3.363 3.890 ( 5.302 -0.942 0.000) 5.385 4.014 ( 6.763 -1.384 0.000) 6.903 4.021 ( 3.484 -1.091 0.000) 3.651 4.055 ( 8.429 0.672 0.000) 8.456 4.063 ( 10.976 1.045 0.000) 11.026 4.238 ( 11.280 0.788 0.000) 11.307 4.330 ( 7.863 -1.963 0.000) 8.104 4.428 ( 5.547 -2.098 0.000) 5.931 4.530 ( 6.480 -0.371 0.000) 6.491 4.673 ( 3.505 5.591 0.000) 6.599 4.776 ( 1.290 4.589 0.000) 4.767 4.828 ( -2.936 1.644 0.000) 3.364 4.971 ( -0.082 -2.405 0.000) 2.406 5.048 ( -0.219 -2.408 0.000) 2.418 5.063 ( -0.799 -1.521 0.000) 1.718 5.178 ( -2.079 -1.559 0.000) 2.599 5.254 ( -0.520 -4.627 0.000) 4.656 5.554 ( 8.921 1.413 0.000) 9.032 5.584 ( 9.280 1.209 0.000) 9.358 5.618 ( 8.431 0.218 0.000) 8.434 5.667 ( 13.311 -2.536 0.000) 13.550 5.763 ( 1.878 4.426 0.000) 4.808 5.865 ( -0.055 1.500 0.000) 1.501 6.012 ( -1.095 2.791 0.000) 2.999 6.147 ( -0.072 -4.610 0.000) 4.611 6.161 ( 12.149 1.095 0.000) 12.198 6.214 ( 6.462 -1.754 0.000) 6.696 6.403 ( 8.137 0.254 0.000) 8.141 6.470 ( 6.715 -1.336 0.000) 6.847 6.713 ( 3.420 1.348 0.000) 3.676 6.783 ( -1.287 5.908 0.000) 6.047 6.864 ( -0.286 -1.895 0.000) 1.916 6.944 ( -2.725 -0.681 0.000) 2.809 7.024 ( 4.828 -0.557 0.000) 4.860 7.095 ( -2.695 0.979 0.000) 2.867 7.127 ( -3.383 -1.900 0.000) 3.880 7.169 ( -0.583 -0.419 0.000) 0.718 7.495 ( -8.557 0.626 0.000) 8.580 7.521 ( -4.654 -0.960 0.000) 4.752 7.650 ( -0.225 1.018 0.000) 1.043 7.721 ( 5.365 -2.565 0.000) 5.947 7.775 ( 3.497 2.677 0.000) 4.404 7.922 ( 4.934 1.924 0.000) 5.296 7.967 ( 18.959 -2.383 0.000) 19.108 7.981 ( -0.707 -2.056 0.000) 2.174 8.119 ( 8.536 -0.127 0.000) 8.537 8.275 ( 12.263 1.220 0.000) 12.324 8.491 ( 3.409 0.951 0.000) 3.540 8.516 ( 7.239 -1.692 0.000) 7.434 8.679 ( 20.781 2.005 0.000) 20.877 8.731 ( 26.931 -0.694 0.000) 26.940 8.842 ( 3.461 -2.997 0.000) 4.578 8.927 ( 12.157 0.865 0.000) 12.187 9.039 ( 22.619 1.122 0.000) 22.647 9.145 ( 6.430 2.084 0.000) 6.759 9.164 ( 5.207 0.260 0.000) 5.213 9.368 ( 17.762 0.836 0.000) 17.782 9.536 ( 11.472 3.786 0.000) 12.081 9.557 ( 21.041 1.899 0.000) 21.127 9.695 ( -2.245 4.971 0.000) 5.454 9.871 ( -2.352 -3.087 0.000) 3.881 10.035 ( 1.310 -0.186 0.000) 1.323 10.076 ( 2.049 -2.460 0.000) 3.201 10.114 ( 1.531 1.455 0.000) 2.112 10.214 ( -0.200 -2.420 0.000) 2.428 10.231 ( -0.744 -2.204 0.000) 2.326 10.287 ( 4.205 -1.667 0.000) 4.523 10.354 ( 3.160 4.318 0.000) 5.351 10.470 ( 0.474 -5.735 0.000) 5.755 10.534 ( 2.064 -2.634 0.000) 3.346 10.555 ( 0.175 -0.100 0.000) 0.202 10.593 ( 4.455 -1.743 0.000) 4.784 10.683 ( 1.547 -1.262 0.000) 1.996 10.809 ( -0.524 4.285 0.000) 4.317 10.938 ( 0.090 -3.064 0.000) 3.066 10.946 ( -0.579 -0.858 0.000) 1.035 11.001 ( -2.366 2.368 0.000) 3.347 11.081 ( -1.944 -2.998 0.000) 3.573 11.139 ( -2.689 2.477 0.000) 3.656 11.199 ( -5.619 0.093 0.000) 5.620 11.351 ( 1.475 -0.691 0.000) 1.629 11.426 ( 4.489 -0.780 0.000) 4.556 11.466 ( 0.206 3.865 0.000) 3.871 11.578 ( 1.087 7.560 0.000) 7.638 11.696 ( 3.200 -4.526 0.000) 5.543 11.815 ( 7.668 0.597 0.000) 7.691 11.944 ( 11.861 -2.900 0.000) 12.210 12.042 ( 16.335 1.577 0.000) 16.411 12.106 ( 16.039 0.902 0.000) 16.064 12.219 ( 10.190 -5.830 0.000) 11.740 12.363 ( 7.177 0.030 0.000) 7.177 12.411 ( 11.310 -0.086 0.000) 11.311 12.602 ( 9.627 0.616 0.000) 9.646 12.622 ( 10.170 1.476 0.000) 10.277 12.724 ( 6.577 0.791 0.000) 6.625 12.754 ( 7.279 -1.999 0.000) 7.549 12.811 ( 6.618 0.910 0.000) 6.681 12.912 ( 5.928 -2.121 0.000) 6.296 12.951 ( 2.248 -2.990 0.000) 3.741 13.179 ( 4.164 0.210 0.000) 4.170 13.199 ( 4.193 3.372 0.000) 5.381 13.290 ( 3.436 -2.385 0.000) 4.183 13.462 ( -1.617 3.023 0.000) 3.428 13.474 ( 0.997 1.289 0.000) 1.630 13.601 ( -3.329 7.026 0.000) 7.775 13.734 ( -3.465 3.897 0.000) 5.215 13.781 ( -2.212 -1.522 0.000) 2.685 13.835 ( -4.508 -7.515 0.000) 8.763 13.975 ( -1.479 -1.237 0.000) 1.928 14.159 ( -2.328 -0.944 0.000) 2.512 14.312 ( -7.438 7.050 0.000) 10.248 14.475 ( -10.233 -3.953 0.000) 10.970 14.510 ( -9.106 -3.749 0.000) 9.848 15.146 ( -3.721 3.262 0.000) 4.948 15.171 ( -2.311 0.992 0.000) 2.514 15.575 ( 0.060 4.273 0.000) 4.274 15.683 ( -4.891 -5.633 0.000) 7.460 15.897 ( -7.370 2.609 0.000) 7.818 15.972 ( -6.164 -3.146 0.000) 6.921 16.185 ( -7.624 1.175 0.000) 7.714 16.214 ( -9.361 -1.837 0.000) 9.539 ======================= Grid point 41 (26/54) ======================= q-point: ( 0.44 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( 4.038 0.721 0.000) 4.102 2.727 ( 1.665 -0.177 0.000) 1.674 3.027 ( 2.410 0.443 0.000) 2.450 3.095 ( 3.854 0.065 0.000) 3.854 3.407 ( 2.927 -0.574 0.000) 2.983 3.428 ( 2.248 -1.020 0.000) 2.469 3.575 ( 4.870 1.631 0.000) 5.136 3.606 ( 5.457 1.582 0.000) 5.682 3.832 ( 5.411 -0.262 0.000) 5.417 3.873 ( -0.379 -0.194 0.000) 0.426 3.943 ( 2.833 0.997 0.000) 3.003 4.070 ( 2.033 -2.365 0.000) 3.119 4.098 ( 10.584 -0.697 0.000) 10.607 4.129 ( 5.191 -1.605 0.000) 5.433 4.176 ( 3.547 0.796 0.000) 3.636 4.241 ( 5.642 -0.054 0.000) 5.643 4.441 ( 8.861 0.347 0.000) 8.868 4.479 ( 6.756 -2.328 0.000) 7.146 4.556 ( 6.945 -1.358 0.000) 7.076 4.633 ( 3.745 0.834 0.000) 3.837 4.701 ( -0.546 4.652 0.000) 4.684 4.752 ( -4.510 2.033 0.000) 4.947 4.797 ( 1.146 1.883 0.000) 2.204 4.981 ( -1.404 -1.796 0.000) 2.280 4.983 ( -0.640 -2.490 0.000) 2.571 5.054 ( -0.983 -2.881 0.000) 3.045 5.103 ( -4.187 -2.550 0.000) 4.902 5.193 ( -5.192 -3.171 0.000) 6.084 5.640 ( 2.581 0.050 0.000) 2.582 5.684 ( 1.486 0.366 0.000) 1.531 5.768 ( 4.486 4.177 0.000) 6.130 5.804 ( 3.905 4.264 0.000) 5.782 5.883 ( 2.793 -5.378 0.000) 6.060 5.914 ( 6.723 0.711 0.000) 6.760 5.985 ( 1.405 1.216 0.000) 1.858 6.093 ( -1.374 -2.666 0.000) 2.999 6.230 ( -4.382 2.554 0.000) 5.072 6.288 ( -1.716 -1.601 0.000) 2.347 6.534 ( 7.163 0.407 0.000) 7.174 6.597 ( 6.489 0.547 0.000) 6.512 6.738 ( -1.176 4.743 0.000) 4.886 6.836 ( -3.825 1.497 0.000) 4.108 6.865 ( 4.670 1.652 0.000) 4.954 6.926 ( -3.217 -2.809 0.000) 4.271 7.023 ( 3.266 -0.132 0.000) 3.269 7.050 ( 0.951 0.424 0.000) 1.041 7.175 ( 4.881 0.519 0.000) 4.909 7.217 ( 3.101 0.246 0.000) 3.111 7.339 ( -5.334 0.053 0.000) 5.334 7.417 ( -4.829 -0.383 0.000) 4.844 7.628 ( -1.619 -1.328 0.000) 2.095 7.665 ( -5.031 -0.432 0.000) 5.050 7.905 ( 8.075 1.098 0.000) 8.149 7.941 ( 2.905 -0.207 0.000) 2.912 8.098 ( 5.896 2.844 0.000) 6.546 8.170 ( 4.185 -0.889 0.000) 4.278 8.312 ( -6.060 -2.591 0.000) 6.591 8.337 ( -2.791 -0.517 0.000) 2.838 8.370 ( 1.174 1.537 0.000) 1.934 8.675 ( 8.012 -4.410 0.000) 9.145 8.906 ( 5.665 0.375 0.000) 5.677 8.980 ( 9.280 -2.458 0.000) 9.600 9.136 ( 6.819 2.702 0.000) 7.335 9.137 ( 4.306 2.338 0.000) 4.900 9.232 ( 12.401 -0.606 0.000) 12.416 9.314 ( 7.598 2.017 0.000) 7.861 9.377 ( 9.975 0.992 0.000) 10.025 9.506 ( 3.605 5.983 0.000) 6.985 9.654 ( -0.859 2.344 0.000) 2.496 9.792 ( 5.506 0.024 0.000) 5.506 9.854 ( 2.565 -3.309 0.000) 4.187 9.873 ( 7.008 -0.092 0.000) 7.009 10.090 ( 2.793 -0.337 0.000) 2.813 10.122 ( 1.882 -2.118 0.000) 2.833 10.159 ( 3.553 0.675 0.000) 3.616 10.200 ( 0.236 -2.145 0.000) 2.158 10.220 ( 0.525 -3.328 0.000) 3.370 10.353 ( 0.300 -0.078 0.000) 0.310 10.463 ( 6.862 -0.073 0.000) 6.862 10.529 ( 2.718 -1.509 0.000) 3.109 10.543 ( 2.821 -0.399 0.000) 2.849 10.622 ( 5.245 1.081 0.000) 5.356 10.682 ( 3.058 2.027 0.000) 3.668 10.733 ( 3.688 -3.662 0.000) 5.197 10.782 ( -1.750 -0.055 0.000) 1.750 10.876 ( -2.706 -0.363 0.000) 2.730 10.937 ( -2.613 1.309 0.000) 2.922 10.996 ( -1.026 -0.590 0.000) 1.184 11.037 ( -3.618 0.140 0.000) 3.620 11.048 ( -0.375 -2.587 0.000) 2.614 11.117 ( -1.848 1.426 0.000) 2.334 11.416 ( -0.301 1.671 0.000) 1.698 11.477 ( 3.543 1.016 0.000) 3.685 11.495 ( 5.083 -1.888 0.000) 5.423 11.584 ( -0.362 5.136 0.000) 5.149 11.709 ( -0.954 -3.931 0.000) 4.045 11.834 ( -4.140 -1.266 0.000) 4.329 12.037 ( 0.122 -5.371 0.000) 5.372 12.235 ( 3.505 -1.649 0.000) 3.873 12.345 ( 6.953 4.148 0.000) 8.096 12.424 ( 9.936 -0.789 0.000) 9.967 12.524 ( 9.629 3.275 0.000) 10.171 12.575 ( 5.166 0.097 0.000) 5.167 12.762 ( 4.127 3.437 0.000) 5.371 12.780 ( 6.737 -0.093 0.000) 6.738 12.817 ( 4.180 4.534 0.000) 6.166 12.894 ( 5.277 -3.729 0.000) 6.461 12.924 ( 5.163 -0.829 0.000) 5.229 12.990 ( 2.768 -3.043 0.000) 4.114 13.011 ( 3.536 -3.846 0.000) 5.224 13.207 ( -1.849 1.685 0.000) 2.502 13.341 ( 7.735 0.239 0.000) 7.739 13.348 ( 4.500 -0.567 0.000) 4.535 13.459 ( -0.460 6.218 0.000) 6.235 13.527 ( 3.373 -0.749 0.000) 3.455 13.543 ( -2.737 5.432 0.000) 6.083 13.698 ( 0.776 1.261 0.000) 1.481 13.725 ( -3.936 4.492 0.000) 5.972 13.814 ( -0.246 -5.673 0.000) 5.679 13.964 ( 1.570 -3.170 0.000) 3.538 14.132 ( -1.114 1.361 0.000) 1.759 14.181 ( -6.192 1.697 0.000) 6.420 14.327 ( -4.069 -7.892 0.000) 8.879 14.364 ( -6.125 -0.477 0.000) 6.144 15.066 ( -3.463 3.812 0.000) 5.150 15.137 ( -1.630 -1.734 0.000) 2.380 15.581 ( 0.342 1.847 0.000) 1.878 15.616 ( -1.857 -1.594 0.000) 2.448 15.789 ( -3.756 2.129 0.000) 4.318 15.883 ( -3.088 -2.099 0.000) 3.734 16.058 ( -5.088 -0.471 0.000) 5.109 16.088 ( -3.924 -0.068 0.000) 3.925 ======================= Grid point 42 (27/54) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( 0.000 1.053 0.000) 1.053 2.742 ( 0.000 -0.379 0.000) 0.379 3.050 ( 0.000 0.525 0.000) 0.525 3.134 ( 0.000 0.061 0.000) 0.061 3.436 ( 0.000 -1.115 0.000) 1.115 3.449 ( 0.000 -0.774 0.000) 0.774 3.624 ( 0.000 2.187 0.000) 2.187 3.659 ( 0.000 1.699 0.000) 1.699 3.863 ( 0.000 -0.355 0.000) 0.355 3.881 ( 0.000 -0.107 0.000) 0.107 3.979 ( 0.000 0.969 0.000) 0.969 4.091 ( 0.000 -2.778 0.000) 2.778 4.192 ( 0.000 -1.164 0.000) 1.164 4.192 ( -0.000 0.645 0.000) 0.645 4.237 ( 0.000 -0.173 0.000) 0.173 4.273 ( 0.000 -1.139 0.000) 1.139 4.539 ( 0.000 -1.381 0.000) 1.381 4.586 ( 0.000 -0.244 0.000) 0.244 4.625 ( -0.000 -1.067 0.000) 1.067 4.642 ( 0.000 -2.052 0.000) 2.052 4.694 ( 0.000 0.238 0.000) 0.238 4.697 ( 0.000 6.706 0.000) 6.706 4.811 ( 0.000 3.826 0.000) 3.826 4.940 ( 0.000 -0.807 0.000) 0.807 5.039 ( -0.000 -6.940 0.000) 6.940 5.046 ( 0.000 0.810 0.000) 0.810 5.049 ( 0.000 -6.787 0.000) 6.787 5.096 ( 0.000 -0.715 0.000) 0.715 5.667 ( 0.000 -0.983 0.000) 0.983 5.694 ( 0.000 1.825 0.000) 1.825 5.808 ( 0.000 3.414 0.000) 3.414 5.859 ( -0.000 2.557 0.000) 2.557 5.875 ( 0.000 -3.653 0.000) 3.653 5.969 ( 0.000 2.031 0.000) 2.031 6.063 ( 0.000 1.818 0.000) 1.818 6.122 ( 0.000 1.285 0.000) 1.285 6.145 ( -0.000 -3.647 0.000) 3.647 6.216 ( 0.000 -0.823 0.000) 0.823 6.625 ( 0.000 0.860 0.000) 0.860 6.685 ( 0.000 3.214 0.000) 3.214 6.721 ( 0.000 1.483 0.000) 1.483 6.749 ( -0.000 1.594 0.000) 1.594 6.881 ( 0.000 1.161 0.000) 1.161 6.906 ( 0.000 -0.923 0.000) 0.923 7.052 ( 0.000 -1.012 0.000) 1.012 7.112 ( 0.000 3.519 0.000) 3.519 7.226 ( 0.000 1.157 0.000) 1.157 7.256 ( 0.000 0.347 0.000) 0.347 7.294 ( 0.000 -0.618 0.000) 0.618 7.364 ( 0.000 -1.690 0.000) 1.690 7.604 ( 0.000 -1.161 0.000) 1.161 7.608 ( 0.000 -0.497 0.000) 0.497 8.029 ( 0.000 1.065 0.000) 1.065 8.041 ( 0.000 0.612 0.000) 0.612 8.118 ( -0.000 0.819 0.000) 0.819 8.153 ( 0.000 3.581 0.000) 3.581 8.217 ( 0.000 -1.165 0.000) 1.165 8.239 ( -0.000 -4.317 0.000) 4.317 8.443 ( 0.000 0.479 0.000) 0.479 8.760 ( 0.000 -5.645 0.000) 5.645 8.962 ( 0.000 -0.188 0.000) 0.188 9.077 ( 0.000 -1.973 0.000) 1.973 9.141 ( 0.000 4.187 0.000) 4.187 9.207 ( 0.000 2.255 0.000) 2.255 9.354 ( 0.000 0.003 0.000) 0.003 9.449 ( -0.000 3.695 0.000) 3.695 9.450 ( 0.000 -0.696 0.000) 0.696 9.522 ( -0.000 4.548 0.000) 4.548 9.649 ( 0.000 2.034 0.000) 2.034 9.820 ( 0.000 -5.554 0.000) 5.554 9.889 ( -0.000 2.465 0.000) 2.465 9.929 ( 0.000 -1.750 0.000) 1.750 10.104 ( 0.000 -0.623 0.000) 0.623 10.135 ( 0.000 -3.106 0.000) 3.106 10.212 ( 0.000 -5.428 0.000) 5.428 10.218 ( 0.000 1.576 0.000) 1.576 10.237 ( 0.000 1.102 0.000) 1.102 10.345 ( 0.000 -0.318 0.000) 0.318 10.498 ( -0.000 3.547 0.000) 3.547 10.586 ( 0.000 -3.020 0.000) 3.020 10.625 ( 0.000 -1.145 0.000) 1.145 10.648 ( -0.000 1.300 0.000) 1.300 10.697 ( 0.000 3.492 0.000) 3.492 10.763 ( 0.000 -1.588 0.000) 1.588 10.800 ( 0.000 -3.274 0.000) 3.274 10.857 ( 0.000 -1.346 0.000) 1.346 10.900 ( 0.000 1.910 0.000) 1.910 10.954 ( -0.000 -4.108 0.000) 4.108 11.007 ( -0.000 -0.503 0.000) 0.503 11.075 ( 0.000 0.162 0.000) 0.162 11.099 ( -0.000 2.294 0.000) 2.294 11.402 ( 0.000 3.762 0.000) 3.762 11.501 ( 0.000 -0.085 0.000) 0.085 11.561 ( -0.000 1.113 0.000) 1.113 11.643 ( 0.000 -1.846 0.000) 1.846 11.677 ( 0.000 -3.739 0.000) 3.739 11.744 ( -0.000 -2.487 0.000) 2.487 12.029 ( 0.000 -2.678 0.000) 2.678 12.258 ( 0.000 -0.531 0.000) 0.531 12.414 ( 0.000 3.691 0.000) 3.691 12.534 ( 0.000 1.504 0.000) 1.504 12.613 ( -0.000 1.044 0.000) 1.044 12.633 ( 0.000 2.334 0.000) 2.334 12.790 ( 0.000 4.232 0.000) 4.232 12.851 ( 0.000 -2.520 0.000) 2.520 12.878 ( 0.000 7.272 0.000) 7.272 12.915 ( 0.000 -5.958 0.000) 5.958 12.990 ( 0.000 -1.580 0.000) 1.580 13.031 ( 0.000 -1.212 0.000) 1.212 13.059 ( 0.000 -4.664 0.000) 4.664 13.169 ( -0.000 1.472 0.000) 1.472 13.398 ( 0.000 0.136 0.000) 0.136 13.425 ( -0.000 5.457 0.000) 5.457 13.479 ( 0.000 -0.090 0.000) 0.090 13.504 ( -0.000 5.847 0.000) 5.847 13.568 ( 0.000 -1.496 0.000) 1.496 13.644 ( 0.000 1.781 0.000) 1.781 13.725 ( 0.000 4.058 0.000) 4.058 13.814 ( -0.000 -3.752 0.000) 3.752 14.013 ( 0.000 -1.713 0.000) 1.713 14.085 ( -0.000 -8.640 0.000) 8.640 14.126 ( 0.000 8.115 0.000) 8.115 14.294 ( 0.000 0.236 0.000) 0.236 14.297 ( 0.000 -8.061 0.000) 8.061 15.030 ( 0.000 3.357 0.000) 3.357 15.118 ( 0.000 -2.595 0.000) 2.595 15.583 ( 0.000 0.515 0.000) 0.515 15.604 ( 0.000 0.396 0.000) 0.396 15.752 ( 0.000 1.875 0.000) 1.875 15.852 ( 0.000 -1.495 0.000) 1.495 16.006 ( 0.000 -0.566 0.000) 0.566 16.050 ( 0.000 0.115 0.000) 0.115 ======================= Grid point 85 (28/54) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 0.000 25.146) 25.146 0.680 ( 0.000 0.000 33.456) 33.456 0.985 ( 0.000 0.000 -18.918) 18.918 1.117 ( 0.000 0.000 44.300) 44.300 1.392 ( 0.000 0.000 -22.228) 22.228 1.806 ( 0.000 0.000 5.543) 5.543 1.892 ( 0.000 0.000 -2.820) 2.820 2.076 ( 0.000 0.000 -21.614) 21.614 2.380 ( 0.000 0.000 3.272) 3.272 2.440 ( 0.000 0.000 -12.768) 12.768 2.450 ( 0.000 0.000 -3.076) 3.076 2.519 ( 0.000 0.000 -3.830) 3.830 2.705 ( 0.000 0.000 26.514) 26.514 2.926 ( 0.000 0.000 0.964) 0.964 2.946 ( 0.000 0.000 -0.866) 0.866 3.190 ( 0.000 0.000 10.185) 10.185 3.216 ( 0.000 0.000 -21.976) 21.976 3.320 ( 0.000 0.000 2.615) 2.615 3.358 ( 0.000 0.000 -0.853) 0.853 3.445 ( 0.000 0.000 1.336) 1.336 3.462 ( 0.000 0.000 -12.195) 12.195 3.472 ( 0.000 0.000 -1.022) 1.022 3.729 ( 0.000 0.000 0.754) 0.754 3.732 ( 0.000 0.000 1.751) 1.751 3.779 ( 0.000 0.000 -2.504) 2.504 3.823 ( 0.000 0.000 -4.242) 4.242 3.929 ( 0.000 0.000 1.514) 1.514 3.964 ( 0.000 0.000 -3.555) 3.555 4.067 ( 0.000 0.000 1.149) 1.149 4.087 ( 0.000 0.000 -0.752) 0.752 4.155 ( 0.000 0.000 0.968) 0.968 4.176 ( 0.000 0.000 -0.936) 0.936 4.300 ( 0.000 0.000 13.953) 13.953 4.627 ( 0.000 0.000 0.874) 0.874 4.642 ( 0.000 0.000 -17.082) 17.082 4.646 ( 0.000 0.000 -0.833) 0.833 4.948 ( 0.000 0.000 3.871) 3.871 4.991 ( 0.000 0.000 10.046) 10.046 4.994 ( 0.000 0.000 0.531) 0.531 5.005 ( 0.000 0.000 -0.512) 0.512 5.025 ( 0.000 0.000 6.133) 6.133 5.258 ( 0.000 0.000 -2.296) 2.296 5.625 ( 0.000 0.000 20.286) 20.286 5.945 ( 0.000 0.000 -11.890) 11.890 6.039 ( 0.000 0.000 0.820) 0.820 6.145 ( 0.000 0.000 -5.921) 5.921 6.326 ( 0.000 0.000 5.060) 5.060 6.477 ( 0.000 0.000 -12.486) 12.486 6.756 ( 0.000 0.000 4.399) 4.399 6.807 ( 0.000 0.000 0.288) 0.288 7.118 ( 0.000 0.000 7.822) 7.822 7.264 ( 0.000 0.000 0.400) 0.400 7.273 ( 0.000 0.000 -0.404) 0.404 7.310 ( 0.000 0.000 -9.231) 9.231 7.474 ( 0.000 0.000 8.207) 8.207 7.582 ( 0.000 0.000 -2.687) 2.687 7.677 ( 0.000 0.000 3.193) 3.193 7.693 ( 0.000 0.000 0.115) 0.115 8.075 ( 0.000 0.000 -2.014) 2.014 8.123 ( 0.000 0.000 -4.702) 4.702 8.276 ( 0.000 0.000 0.108) 0.108 8.278 ( 0.000 0.000 -0.116) 0.116 8.552 ( 0.000 0.000 -0.115) 0.115 8.594 ( 0.000 0.000 -4.046) 4.046 8.790 ( 0.000 0.000 2.588) 2.588 8.884 ( 0.000 0.000 -5.757) 5.757 8.946 ( 0.000 0.000 0.274) 0.274 8.951 ( 0.000 0.000 -0.205) 0.205 9.047 ( 0.000 0.000 3.900) 3.900 9.096 ( 0.000 0.000 -0.283) 0.283 9.354 ( 0.000 0.000 12.596) 12.596 9.376 ( 0.000 0.000 1.293) 1.293 9.412 ( 0.000 0.000 -2.085) 2.085 9.562 ( 0.000 0.000 2.346) 2.346 9.587 ( 0.000 0.000 -8.366) 8.366 9.605 ( 0.000 0.000 -1.754) 1.754 9.780 ( 0.000 0.000 0.718) 0.718 9.798 ( 0.000 0.000 -0.919) 0.919 9.815 ( 0.000 0.000 2.211) 2.211 9.855 ( 0.000 0.000 -1.981) 1.981 9.915 ( 0.000 0.000 1.064) 1.064 9.934 ( 0.000 0.000 -0.600) 0.600 10.065 ( 0.000 0.000 1.047) 1.047 10.080 ( 0.000 0.000 4.227) 4.227 10.091 ( 0.000 0.000 -1.331) 1.331 10.157 ( 0.000 0.000 -2.155) 2.155 10.260 ( 0.000 0.000 -0.601) 0.601 10.260 ( 0.000 0.000 -1.127) 1.127 10.330 ( 0.000 0.000 0.654) 0.654 10.343 ( 0.000 0.000 -0.575) 0.575 10.441 ( 0.000 0.000 -1.235) 1.235 10.446 ( 0.000 0.000 -1.491) 1.491 10.563 ( 0.000 0.000 1.411) 1.411 10.594 ( 0.000 0.000 -1.374) 1.374 10.819 ( 0.000 0.000 3.618) 3.618 10.912 ( 0.000 0.000 -4.142) 4.142 10.987 ( 0.000 0.000 0.496) 0.496 10.998 ( 0.000 0.000 -0.444) 0.444 11.141 ( 0.000 0.000 3.719) 3.719 11.153 ( 0.000 0.000 3.482) 3.482 11.264 ( 0.000 0.000 -1.532) 1.532 11.317 ( 0.000 0.000 -6.667) 6.667 11.432 ( 0.000 0.000 0.076) 0.076 11.434 ( 0.000 0.000 -0.076) 0.076 11.571 ( 0.000 0.000 3.576) 3.576 11.621 ( 0.000 0.000 -1.089) 1.089 12.316 ( 0.000 0.000 6.207) 6.207 12.434 ( 0.000 0.000 -4.429) 4.429 12.601 ( 0.000 0.000 1.609) 1.609 12.647 ( 0.000 0.000 -2.403) 2.403 12.997 ( 0.000 0.000 3.074) 3.074 13.037 ( 0.000 0.000 -0.643) 0.643 13.662 ( 0.000 0.000 4.105) 4.105 13.828 ( 0.000 0.000 -11.617) 11.617 14.384 ( 0.000 0.000 1.105) 1.105 14.419 ( 0.000 0.000 -1.306) 1.306 14.567 ( 0.000 0.000 10.564) 10.564 14.697 ( 0.000 0.000 1.285) 1.285 14.878 ( 0.000 0.000 -0.610) 0.610 14.982 ( 0.000 0.000 -7.596) 7.596 15.334 ( 0.000 0.000 2.183) 2.183 15.408 ( 0.000 0.000 -4.578) 4.578 15.508 ( 0.000 0.000 7.215) 7.215 15.638 ( 0.000 0.000 -5.019) 5.019 15.748 ( 0.000 0.000 2.261) 2.261 15.765 ( 0.000 0.000 0.265) 0.265 16.259 ( 0.000 0.000 5.566) 5.566 16.395 ( 0.000 0.000 -6.566) 6.566 17.135 ( 0.000 0.000 1.297) 1.297 17.160 ( 0.000 0.000 -0.944) 0.944 17.947 ( 0.000 0.000 1.207) 1.207 17.974 ( 0.000 0.000 -1.157) 1.157 ======================= Grid point 86 (29/54) ======================= q-point: ( 0.06 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 18.415 0.000 26.045) 31.897 0.940 ( 18.577 0.000 25.482) 31.535 1.427 ( 30.055 0.000 -16.561) 34.316 1.478 ( 14.502 0.000 -23.884) 27.941 1.619 ( 46.806 0.000 22.556) 51.958 2.004 ( 18.202 0.000 -0.957) 18.227 2.187 ( 25.526 0.000 -0.869) 25.541 2.214 ( 15.508 0.000 -0.438) 15.514 2.451 ( 9.893 0.000 -8.072) 12.768 2.497 ( 0.908 0.000 -1.622) 1.858 2.616 ( 5.834 0.000 19.496) 20.350 2.671 ( 21.825 0.000 -5.368) 22.475 2.728 ( 15.978 0.000 3.808) 16.425 3.109 ( 16.244 0.000 -2.395) 16.419 3.114 ( 14.470 0.000 0.318) 14.473 3.204 ( 0.995 0.000 -22.531) 22.552 3.208 ( 2.379 0.000 8.826) 9.141 3.293 ( -0.632 0.000 2.544) 2.621 3.319 ( -1.287 0.000 -0.221) 1.306 3.457 ( 0.149 0.000 -10.529) 10.530 3.640 ( 8.527 0.000 2.230) 8.814 3.707 ( 16.750 0.000 -2.222) 16.897 3.758 ( 11.164 0.000 0.272) 11.168 3.808 ( 1.021 0.000 -2.906) 3.080 3.902 ( 11.719 0.000 -0.483) 11.729 3.916 ( 4.081 0.000 0.016) 4.081 3.997 ( 17.078 0.000 -1.556) 17.149 4.004 ( 9.965 0.000 -2.445) 10.260 4.181 ( 4.387 0.000 6.308) 7.684 4.256 ( 12.280 0.000 -1.244) 12.343 4.316 ( 19.000 0.000 1.803) 19.085 4.354 ( 17.860 0.000 -0.998) 17.888 4.483 ( 17.583 0.000 3.074) 17.850 4.651 ( 3.703 0.000 -10.919) 11.530 4.801 ( 15.879 0.000 0.976) 15.909 4.822 ( 15.344 0.000 -0.558) 15.354 4.969 ( 5.823 0.000 11.737) 13.102 5.018 ( 11.103 0.000 1.315) 11.181 5.068 ( 7.268 0.000 1.597) 7.442 5.101 ( 5.548 0.000 2.922) 6.270 5.242 ( 17.677 0.000 1.153) 17.714 5.253 ( 9.694 0.000 5.143) 10.973 5.623 ( 0.970 0.000 18.866) 18.891 5.936 ( -0.477 0.000 -11.497) 11.507 6.021 ( -0.994 0.000 0.634) 1.179 6.116 ( -1.707 0.000 -5.250) 5.520 6.298 ( -2.350 0.000 4.918) 5.450 6.435 ( -3.025 0.000 -10.676) 11.096 6.725 ( -2.648 0.000 3.767) 4.605 6.765 ( -3.177 0.000 0.490) 3.215 7.065 ( -4.085 0.000 7.617) 8.643 7.238 ( -4.447 0.000 -8.375) 9.482 7.252 ( -10.890 0.000 16.929) 20.129 7.493 ( -8.774 0.000 -6.400) 10.860 7.551 ( 20.022 0.000 1.398) 20.071 7.560 ( 17.983 0.000 -0.286) 17.985 7.596 ( -0.568 0.000 1.749) 1.839 7.630 ( 1.513 0.000 2.320) 2.770 7.828 ( -8.541 0.000 7.954) 11.671 8.041 ( -6.221 0.000 -8.735) 10.724 8.330 ( -11.163 0.000 -1.401) 11.251 8.342 ( -5.749 0.000 -2.678) 6.342 8.500 ( 18.747 0.000 -0.099) 18.748 8.508 ( 15.675 0.000 -1.204) 15.721 8.709 ( -3.098 0.000 2.360) 3.895 8.785 ( -6.648 0.000 -5.158) 8.415 8.911 ( -8.053 0.000 4.127) 9.049 8.991 ( -7.038 0.000 -2.230) 7.382 9.215 ( 17.019 0.000 2.791) 17.247 9.217 ( -0.087 0.000 6.071) 6.071 9.337 ( 11.895 0.000 1.715) 12.018 9.422 ( -7.568 0.000 -2.508) 7.973 9.546 ( 7.584 0.000 1.533) 7.737 9.567 ( 8.282 0.000 0.001) 8.282 9.686 ( 0.470 0.000 -1.662) 1.727 9.707 ( 2.354 0.000 -3.646) 4.340 9.834 ( 7.857 0.000 -0.405) 7.867 9.836 ( -1.457 0.000 -0.012) 1.457 9.893 ( 9.648 0.000 -0.089) 9.649 9.905 ( 8.141 0.000 -1.679) 8.312 9.990 ( 10.777 0.000 -1.208) 10.844 10.040 ( 7.509 0.000 -3.521) 8.294 10.158 ( 8.517 0.000 3.292) 9.131 10.175 ( 9.825 0.000 1.751) 9.980 10.229 ( 8.116 0.000 0.162) 8.117 10.264 ( 2.771 0.000 -2.041) 3.441 10.286 ( 5.119 0.000 3.646) 6.284 10.339 ( 8.052 0.000 -2.191) 8.345 10.407 ( 0.347 0.000 -0.538) 0.640 10.424 ( 2.598 0.000 -0.998) 2.783 10.480 ( 11.101 0.000 -0.449) 11.110 10.484 ( 8.984 0.000 -0.722) 9.013 10.643 ( 6.762 0.000 1.346) 6.895 10.666 ( 6.433 0.000 -0.434) 6.448 10.842 ( 2.033 0.000 1.179) 2.350 10.927 ( 2.088 0.000 -4.650) 5.097 11.048 ( 4.353 0.000 1.358) 4.560 11.076 ( 4.926 0.000 0.031) 4.926 11.152 ( 2.182 0.000 2.483) 3.306 11.174 ( 2.749 0.000 1.220) 3.008 11.258 ( 1.614 0.000 0.803) 1.803 11.356 ( 2.591 0.000 -7.082) 7.541 11.514 ( 7.566 0.000 2.699) 8.033 11.540 ( 7.678 0.000 1.658) 7.855 11.618 ( 3.530 0.000 -1.450) 3.816 11.653 ( 2.481 0.000 -2.486) 3.512 12.371 ( 4.727 0.000 6.162) 7.767 12.506 ( 1.655 0.000 -5.804) 6.035 12.652 ( 0.002 0.000 -0.452) 0.452 12.657 ( 2.963 0.000 -2.110) 3.637 13.034 ( 3.547 0.000 3.443) 4.943 13.109 ( 4.188 0.000 -4.459) 6.117 13.624 ( -3.863 0.000 4.076) 5.616 13.795 ( -3.991 0.000 -12.379) 13.006 14.360 ( -2.773 0.000 1.107) 2.986 14.389 ( -3.741 0.000 -0.380) 3.760 14.515 ( -5.566 0.000 9.661) 11.150 14.636 ( -6.106 0.000 1.125) 6.208 14.825 ( -5.465 0.000 -1.000) 5.556 14.916 ( -6.755 0.000 -7.232) 9.896 15.359 ( -7.655 0.000 3.866) 8.576 15.412 ( -2.097 0.000 -2.362) 3.159 15.584 ( -4.327 0.000 -2.046) 4.786 15.630 ( 3.011 0.000 -8.163) 8.700 15.659 ( -8.416 0.000 2.677) 8.831 15.702 ( -0.121 0.000 -4.940) 4.942 16.165 ( -9.025 0.000 5.748) 10.700 16.333 ( -5.332 0.000 -11.417) 12.601 17.056 ( -7.577 0.000 1.475) 7.720 17.081 ( -7.643 0.000 -0.926) 7.699 17.707 ( -18.351 0.000 11.521) 21.668 17.837 ( -13.032 0.000 -3.262) 13.434 ======================= Grid point 87 (30/54) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 26.516 0.000 15.855) 30.895 1.325 ( 22.246 0.000 16.691) 27.811 1.793 ( 19.543 0.000 -17.694) 26.363 1.806 ( 12.772 0.000 -17.188) 21.414 2.379 ( 10.625 0.000 6.329) 12.367 2.508 ( 8.104 0.000 -2.101) 8.372 2.556 ( 16.271 0.000 4.199) 16.804 2.590 ( 26.283 0.000 1.340) 26.318 2.724 ( 43.366 0.000 14.577) 45.750 2.920 ( 26.010 0.000 7.956) 27.200 2.927 ( 34.482 0.000 -3.478) 34.657 3.147 ( 18.991 0.000 -4.687) 19.561 3.208 ( 20.041 0.000 1.238) 20.079 3.247 ( 11.906 0.000 1.694) 12.026 3.271 ( 6.112 0.000 -2.059) 6.449 3.283 ( 6.469 0.000 5.096) 8.236 3.314 ( 12.876 0.000 -14.259) 19.213 3.460 ( 4.184 0.000 -8.680) 9.636 3.562 ( 24.162 0.000 0.995) 24.183 3.609 ( 24.456 0.000 -4.112) 24.799 3.683 ( 2.403 0.000 2.441) 3.425 3.824 ( 2.012 0.000 -10.236) 10.432 3.873 ( 5.353 0.000 1.465) 5.550 3.913 ( 4.422 0.000 -2.523) 5.091 4.147 ( 7.342 0.000 6.964) 10.119 4.242 ( 11.209 0.000 -0.128) 11.209 4.284 ( 13.590 0.000 1.019) 13.628 4.289 ( 14.201 0.000 1.074) 14.241 4.501 ( 24.969 0.000 0.313) 24.971 4.566 ( 25.529 0.000 -4.486) 25.920 4.738 ( 19.542 0.000 1.649) 19.611 4.779 ( 17.432 0.000 3.006) 17.689 4.803 ( 17.268 0.000 -4.375) 17.814 4.842 ( 25.647 0.000 -1.166) 25.674 5.119 ( 18.534 0.000 3.618) 18.883 5.147 ( 20.887 0.000 0.320) 20.889 5.348 ( 26.770 0.000 7.940) 27.923 5.386 ( 28.897 0.000 1.726) 28.949 5.401 ( 24.878 0.000 1.405) 24.917 5.441 ( 22.843 0.000 -1.328) 22.881 5.599 ( 16.544 0.000 4.362) 17.109 5.614 ( 24.229 0.000 2.927) 24.405 5.769 ( 17.095 0.000 7.618) 18.715 5.970 ( 5.911 0.000 -8.250) 10.149 6.070 ( 9.082 0.000 1.276) 9.172 6.137 ( 6.564 0.000 -3.965) 7.669 6.279 ( 3.266 0.000 3.883) 5.074 6.404 ( 1.545 0.000 -9.994) 10.113 6.676 ( -1.530 0.000 3.098) 3.455 6.717 ( -0.959 0.000 -0.669) 1.169 7.003 ( -2.161 0.000 6.725) 7.064 7.144 ( -4.147 0.000 -7.323) 8.416 7.151 ( -0.430 0.000 7.935) 7.947 7.306 ( -7.795 0.000 -4.880) 9.196 7.476 ( -5.174 0.000 2.888) 5.926 7.501 ( -5.929 0.000 6.397) 8.722 7.649 ( -8.050 0.000 0.847) 8.094 7.800 ( -8.175 0.000 -7.628) 11.181 8.035 ( -1.984 0.000 1.049) 2.244 8.133 ( 5.298 0.000 -7.813) 9.440 8.340 ( 21.251 0.000 2.384) 21.384 8.405 ( 27.523 0.000 -3.087) 27.696 8.546 ( -1.081 0.000 2.715) 2.923 8.581 ( -5.696 0.000 -2.078) 6.063 8.723 ( -7.231 0.000 1.695) 7.427 8.785 ( -5.470 0.000 -2.894) 6.188 9.069 ( 22.660 0.000 1.870) 22.737 9.085 ( -4.063 0.000 7.252) 8.313 9.087 ( 26.098 0.000 -0.284) 26.100 9.189 ( -12.668 0.000 -0.919) 12.701 9.531 ( -5.233 0.000 0.709) 5.281 9.547 ( 7.026 0.000 3.162) 7.705 9.575 ( 3.021 0.000 -1.757) 3.495 9.688 ( 13.629 0.000 -5.976) 14.881 9.733 ( 0.673 0.000 1.731) 1.857 9.842 ( 2.401 0.000 -7.179) 7.569 9.898 ( 6.399 0.000 2.010) 6.708 9.934 ( 9.897 0.000 -1.315) 9.984 10.056 ( 9.933 0.000 2.987) 10.373 10.110 ( 3.510 0.000 -0.416) 3.535 10.197 ( 12.180 0.000 1.481) 12.270 10.234 ( 8.997 0.000 -0.649) 9.020 10.287 ( 5.008 0.000 1.819) 5.328 10.316 ( 6.241 0.000 0.566) 6.266 10.357 ( 6.850 0.000 -0.842) 6.901 10.368 ( 7.230 0.000 -0.363) 7.239 10.467 ( 10.778 0.000 3.579) 11.357 10.512 ( 14.812 0.000 2.205) 14.976 10.533 ( 13.546 0.000 -1.021) 13.584 10.559 ( 11.193 0.000 -3.569) 11.748 10.711 ( 10.852 0.000 0.175) 10.853 10.741 ( 11.332 0.000 -2.633) 11.634 10.815 ( 13.004 0.000 0.420) 13.011 10.830 ( 11.929 0.000 -0.981) 11.969 10.929 ( 6.142 0.000 3.985) 7.321 11.019 ( 7.125 0.000 -0.490) 7.142 11.102 ( 2.670 0.000 1.765) 3.201 11.104 ( 2.596 0.000 -0.738) 2.698 11.204 ( 1.459 0.000 -0.186) 1.471 11.282 ( 5.473 0.000 -5.252) 7.585 11.381 ( 8.851 0.000 3.546) 9.535 11.430 ( 7.107 0.000 -0.936) 7.168 11.620 ( 2.200 0.000 2.513) 3.340 11.685 ( 5.150 0.000 -1.104) 5.267 11.731 ( 10.625 0.000 1.261) 10.700 11.796 ( 13.363 0.000 -3.021) 13.700 12.464 ( 4.311 0.000 2.878) 5.183 12.515 ( -0.013 0.000 -1.492) 1.492 12.637 ( -1.136 0.000 1.832) 2.156 12.674 ( -0.273 0.000 -1.859) 1.879 13.116 ( 4.444 0.000 2.495) 5.096 13.156 ( 1.309 0.000 -1.404) 1.920 13.520 ( -6.520 0.000 3.219) 7.272 13.673 ( -8.171 0.000 -11.129) 13.806 14.265 ( -7.148 0.000 0.623) 7.175 14.272 ( -8.306 0.000 1.126) 8.382 14.367 ( -8.705 0.000 8.548) 12.200 14.472 ( -10.303 0.000 1.002) 10.352 14.675 ( -9.556 0.000 -2.423) 9.859 14.733 ( -11.490 0.000 -6.631) 13.266 15.116 ( -16.188 0.000 6.137) 17.313 15.226 ( -15.938 0.000 -4.439) 16.544 15.405 ( -14.429 0.000 0.529) 14.438 15.423 ( -15.426 0.000 -0.760) 15.444 15.572 ( -1.091 0.000 7.255) 7.337 15.711 ( -6.025 0.000 -5.857) 8.403 15.950 ( -11.757 0.000 7.543) 13.968 16.226 ( -5.541 0.000 -19.863) 20.621 16.866 ( -11.399 0.000 1.486) 11.495 16.888 ( -11.580 0.000 -0.730) 11.603 17.340 ( -19.118 0.000 12.384) 22.779 17.516 ( -18.940 0.000 -5.282) 19.662 ======================= Grid point 88 (31/54) ======================= q-point: ( 0.19 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( 23.081 0.000 4.950) 23.606 1.802 ( 20.398 0.000 4.572) 20.904 2.100 ( 20.129 0.000 -0.575) 20.138 2.214 ( 23.085 0.000 -9.872) 25.107 2.560 ( 9.357 0.000 -2.397) 9.659 2.588 ( 4.716 0.000 -2.838) 5.504 2.843 ( 15.293 0.000 10.417) 18.503 2.988 ( 14.441 0.000 -0.398) 14.447 3.146 ( 3.864 0.000 4.090) 5.626 3.246 ( 3.411 0.000 -5.271) 6.278 3.319 ( 7.621 0.000 8.720) 11.581 3.444 ( 9.713 0.000 -0.929) 9.757 3.518 ( 19.706 0.000 -0.285) 19.709 3.533 ( 10.306 0.000 -2.248) 10.549 3.606 ( 19.384 0.000 -1.708) 19.459 3.627 ( 22.652 0.000 -3.367) 22.901 3.769 ( 18.962 0.000 1.962) 19.063 3.801 ( 18.772 0.000 0.051) 18.772 3.827 ( 27.051 0.000 -2.507) 27.166 3.876 ( 8.324 0.000 -5.988) 10.254 3.995 ( 14.287 0.000 -1.740) 14.393 3.999 ( 16.754 0.000 -3.655) 17.148 4.146 ( 25.751 0.000 3.684) 26.014 4.217 ( 26.687 0.000 -3.319) 26.892 4.341 ( 13.929 0.000 3.793) 14.436 4.381 ( 11.613 0.000 1.038) 11.659 4.487 ( 8.377 0.000 3.020) 8.904 4.496 ( 10.733 0.000 2.119) 10.940 4.732 ( 8.176 0.000 0.515) 8.192 4.788 ( 2.241 0.000 -5.467) 5.909 5.215 ( 18.785 0.000 1.909) 18.882 5.228 ( 16.060 0.000 3.220) 16.380 5.386 ( 37.343 0.000 0.743) 37.350 5.414 ( 25.783 0.000 -3.755) 26.055 5.586 ( 17.529 0.000 1.868) 17.628 5.607 ( 23.272 0.000 1.424) 23.315 5.675 ( 16.531 0.000 2.772) 16.762 5.703 ( 19.710 0.000 0.349) 19.713 5.830 ( 15.147 0.000 -0.607) 15.159 5.896 ( 13.448 0.000 -3.313) 13.850 5.980 ( 18.373 0.000 2.093) 18.492 6.024 ( 11.971 0.000 -1.846) 12.112 6.244 ( 31.819 0.000 2.899) 31.951 6.267 ( 29.364 0.000 -1.484) 29.402 6.379 ( 20.938 0.000 4.283) 21.371 6.448 ( 14.535 0.000 -1.565) 14.619 6.652 ( 30.274 0.000 -1.068) 30.293 6.671 ( 31.559 0.000 -3.362) 31.737 6.753 ( 15.968 0.000 4.060) 16.476 6.829 ( 17.555 0.000 -2.763) 17.771 6.986 ( 1.720 0.000 5.999) 6.240 7.097 ( -1.207 0.000 -4.764) 4.914 7.205 ( 3.758 0.000 4.089) 5.553 7.247 ( 4.020 0.000 -0.644) 4.071 7.418 ( 1.349 0.000 2.601) 2.930 7.419 ( -2.247 0.000 4.365) 4.909 7.518 ( -0.806 0.000 -3.603) 3.692 7.592 ( -10.957 0.000 -7.824) 13.464 7.926 ( -6.070 0.000 3.464) 6.989 8.041 ( -6.701 0.000 -7.789) 10.275 8.337 ( -7.077 0.000 2.636) 7.552 8.359 ( -9.618 0.000 -0.813) 9.652 8.511 ( -10.210 0.000 1.658) 10.344 8.576 ( -10.729 0.000 -3.157) 11.184 8.852 ( -13.039 0.000 4.846) 13.911 8.891 ( -14.965 0.000 1.122) 15.007 9.205 ( 36.567 0.000 1.629) 36.604 9.256 ( 38.114 0.000 -2.510) 38.196 9.400 ( -2.245 0.000 2.204) 3.146 9.451 ( 0.260 0.000 -2.257) 2.272 9.606 ( 2.752 0.000 1.321) 3.052 9.637 ( 10.924 0.000 0.935) 10.964 9.641 ( -1.793 0.000 -2.812) 3.335 9.678 ( 21.638 0.000 -2.845) 21.824 9.868 ( 8.364 0.000 -0.407) 8.374 9.899 ( 3.872 0.000 -3.463) 5.195 10.063 ( 2.241 0.000 5.379) 5.828 10.120 ( 4.820 0.000 0.698) 4.871 10.144 ( 2.173 0.000 1.803) 2.824 10.160 ( 5.266 0.000 -0.593) 5.299 10.259 ( 3.751 0.000 -0.933) 3.865 10.265 ( 0.542 0.000 -1.249) 1.361 10.509 ( 9.848 0.000 -0.361) 9.854 10.547 ( 10.787 0.000 -3.644) 11.386 10.588 ( 15.255 0.000 0.431) 15.261 10.599 ( 11.772 0.000 -0.214) 11.774 10.673 ( 9.344 0.000 4.085) 10.198 10.718 ( 11.872 0.000 0.020) 11.872 10.808 ( 12.400 0.000 0.759) 12.423 10.842 ( 11.415 0.000 -1.739) 11.547 10.908 ( 8.709 0.000 1.691) 8.871 10.911 ( 9.039 0.000 1.432) 9.151 11.022 ( 6.174 0.000 3.623) 7.159 11.068 ( 9.250 0.000 0.146) 9.252 11.084 ( 13.207 0.000 -0.138) 13.207 11.171 ( 6.312 0.000 -5.157) 8.151 11.196 ( 8.615 0.000 1.168) 8.693 11.280 ( 10.029 0.000 -2.919) 10.445 11.331 ( 13.891 0.000 2.061) 14.043 11.385 ( 10.480 0.000 -2.289) 10.727 11.538 ( 7.742 0.000 3.018) 8.309 11.580 ( 7.455 0.000 -2.045) 7.731 11.729 ( 9.693 0.000 2.457) 10.000 11.790 ( 7.019 0.000 -3.079) 7.664 11.999 ( 15.090 0.000 3.230) 15.432 12.067 ( 13.713 0.000 -2.758) 13.988 12.508 ( -0.658 0.000 1.195) 1.364 12.513 ( 0.723 0.000 1.128) 1.340 12.651 ( 3.450 0.000 1.073) 3.613 12.681 ( 1.727 0.000 -1.407) 2.228 13.182 ( 1.600 0.000 1.988) 2.552 13.195 ( 3.158 0.000 1.737) 3.604 13.390 ( -5.979 0.000 0.030) 5.979 13.500 ( -8.963 0.000 -9.577) 13.117 14.059 ( -13.236 0.000 3.314) 13.645 14.084 ( -11.158 0.000 -0.186) 11.160 14.209 ( -7.608 0.000 4.781) 8.986 14.249 ( -12.505 0.000 1.934) 12.654 14.477 ( -10.280 0.000 -2.773) 10.648 14.496 ( -12.183 0.000 -5.016) 13.175 14.771 ( -17.952 0.000 5.845) 18.879 14.866 ( -19.441 0.000 -3.127) 19.691 15.094 ( -17.454 0.000 -0.194) 17.455 15.109 ( -14.872 0.000 -2.403) 15.065 15.499 ( -7.138 0.000 3.050) 7.762 15.530 ( -10.867 0.000 -0.835) 10.899 15.756 ( -7.511 0.000 12.793) 14.835 16.103 ( -7.348 0.000 -19.499) 20.838 16.630 ( -12.558 0.000 1.854) 12.694 16.651 ( -12.440 0.000 -0.543) 12.451 16.973 ( -18.342 0.000 10.097) 20.937 17.134 ( -19.678 0.000 -5.392) 20.403 ======================= Grid point 89 (32/54) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 12.794 0.000 3.341) 13.223 2.184 ( 18.002 0.000 -3.515) 18.342 2.564 ( 24.709 0.000 5.440) 25.300 2.643 ( 16.524 0.000 0.227) 16.525 2.727 ( 13.366 0.000 -4.187) 14.007 2.738 ( 8.574 0.000 -4.065) 9.489 3.129 ( 11.563 0.000 4.478) 12.400 3.212 ( 9.959 0.000 -1.030) 10.012 3.244 ( 9.053 0.000 4.228) 9.992 3.360 ( 8.377 0.000 -6.956) 10.888 3.466 ( 8.634 0.000 7.337) 11.330 3.580 ( 7.294 0.000 -3.242) 7.982 3.715 ( 7.861 0.000 3.154) 8.470 3.754 ( 8.017 0.000 2.288) 8.337 3.809 ( 6.030 0.000 -2.937) 6.707 3.876 ( 5.854 0.000 -4.853) 7.604 3.931 ( 6.357 0.000 2.008) 6.666 4.021 ( 7.153 0.000 -6.529) 9.684 4.188 ( 16.051 0.000 0.725) 16.068 4.238 ( 13.297 0.000 -1.879) 13.429 4.380 ( 13.997 0.000 5.162) 14.919 4.383 ( 17.744 0.000 3.681) 18.121 4.505 ( 7.577 0.000 0.401) 7.588 4.602 ( 13.361 0.000 -3.371) 13.779 4.675 ( 16.627 0.000 -2.785) 16.859 4.696 ( 20.231 0.000 -2.648) 20.404 4.830 ( 25.341 0.000 5.618) 25.956 4.898 ( 26.466 0.000 0.457) 26.470 4.912 ( 16.438 0.000 1.944) 16.553 5.004 ( 19.844 0.000 -5.439) 20.576 5.433 ( 6.373 0.000 -0.805) 6.423 5.436 ( 8.045 0.000 0.338) 8.052 5.572 ( 2.452 0.000 3.952) 4.651 5.619 ( 0.977 0.000 1.324) 1.646 5.741 ( -2.190 0.000 2.862) 3.604 5.847 ( 5.030 0.000 -6.470) 8.195 6.008 ( 4.173 0.000 2.496) 4.863 6.055 ( 7.759 0.000 -1.881) 7.984 6.274 ( 9.029 0.000 0.803) 9.065 6.281 ( 10.647 0.000 0.293) 10.651 6.349 ( 39.027 0.000 2.877) 39.133 6.434 ( 33.880 0.000 -3.969) 34.112 6.679 ( 19.933 0.000 0.774) 19.948 6.713 ( 23.765 0.000 -2.421) 23.888 6.854 ( 15.857 0.000 1.710) 15.949 6.857 ( 20.675 0.000 0.602) 20.684 7.020 ( 5.505 0.000 6.757) 8.716 7.029 ( 0.955 0.000 5.961) 6.037 7.121 ( 11.547 0.000 1.721) 11.674 7.172 ( 11.677 0.000 -2.005) 11.848 7.217 ( 16.034 0.000 -3.753) 16.468 7.227 ( 5.804 0.000 -4.625) 7.422 7.468 ( 19.248 0.000 0.344) 19.251 7.500 ( 31.544 0.000 -1.800) 31.595 7.571 ( 17.569 0.000 1.399) 17.624 7.587 ( 29.046 0.000 0.581) 29.052 7.707 ( 27.075 0.000 -0.842) 27.088 7.730 ( 14.031 0.000 -3.879) 14.558 7.861 ( 2.052 0.000 2.027) 2.885 7.931 ( -2.337 0.000 -4.711) 5.259 8.211 ( -4.290 0.000 2.690) 5.063 8.274 ( 1.773 0.000 -2.394) 2.979 8.329 ( -3.572 0.000 2.897) 4.599 8.383 ( -5.870 0.000 -1.748) 6.125 8.607 ( -9.838 0.000 1.714) 9.987 8.607 ( -10.915 0.000 1.504) 11.018 9.214 ( -8.801 0.000 4.286) 9.789 9.315 ( -7.106 0.000 -4.795) 8.572 9.395 ( -10.910 0.000 2.731) 11.247 9.502 ( -8.944 0.000 -7.905) 11.937 9.772 ( 7.188 0.000 3.229) 7.880 9.859 ( 8.767 0.000 -3.369) 9.392 9.932 ( -0.984 0.000 5.678) 5.762 9.999 ( 12.506 0.000 0.404) 12.512 10.061 ( 3.786 0.000 1.030) 3.923 10.093 ( 5.386 0.000 -2.766) 6.055 10.117 ( 17.517 0.000 1.303) 17.566 10.127 ( 10.001 0.000 1.619) 10.131 10.255 ( 9.317 0.000 4.682) 10.427 10.280 ( 11.048 0.000 -0.281) 11.051 10.336 ( 8.788 0.000 -3.120) 9.325 10.404 ( 6.316 0.000 -7.745) 9.994 10.649 ( 7.253 0.000 -0.178) 7.255 10.675 ( 2.829 0.000 -2.186) 3.576 10.781 ( 6.138 0.000 5.014) 7.926 10.782 ( 6.629 0.000 5.667) 8.721 10.882 ( 9.922 0.000 -1.258) 10.002 10.895 ( 2.124 0.000 -2.795) 3.510 10.967 ( 6.632 0.000 -1.431) 6.784 10.969 ( 9.492 0.000 -1.228) 9.571 11.096 ( 8.258 0.000 2.618) 8.663 11.106 ( 5.630 0.000 0.294) 5.638 11.206 ( 15.244 0.000 2.071) 15.384 11.220 ( 4.246 0.000 -2.924) 5.155 11.272 ( 11.492 0.000 0.196) 11.493 11.273 ( 5.115 0.000 -2.457) 5.674 11.432 ( 9.307 0.000 4.504) 10.339 11.485 ( 10.783 0.000 1.637) 10.906 11.581 ( 8.734 0.000 -1.907) 8.940 11.595 ( 8.531 0.000 -0.965) 8.585 11.742 ( 15.575 0.000 3.002) 15.862 11.817 ( 15.012 0.000 -3.592) 15.436 11.971 ( 15.526 0.000 0.146) 15.527 11.979 ( 13.921 0.000 -0.745) 13.941 12.301 ( 15.527 0.000 -0.185) 15.528 12.305 ( 10.182 0.000 -0.618) 10.200 12.524 ( 3.732 0.000 2.253) 4.359 12.553 ( 4.475 0.000 -0.434) 4.496 12.748 ( 4.958 0.000 0.157) 4.960 12.752 ( 6.369 0.000 -0.247) 6.374 13.189 ( -3.712 0.000 4.628) 5.932 13.204 ( -0.115 0.000 3.745) 3.747 13.340 ( 0.482 0.000 -4.866) 4.890 13.358 ( -4.697 0.000 -7.494) 8.845 13.783 ( -14.505 0.000 3.526) 14.928 13.847 ( -12.824 0.000 -2.924) 13.153 14.003 ( -11.915 0.000 3.368) 12.381 14.050 ( -8.953 0.000 -0.712) 8.981 14.270 ( -11.637 0.000 -0.235) 11.639 14.271 ( -11.294 0.000 0.160) 11.295 14.488 ( -9.369 0.000 3.275) 9.925 14.531 ( -13.720 0.000 -0.490) 13.729 14.780 ( -14.094 0.000 1.429) 14.166 14.863 ( -10.021 0.000 -6.847) 12.137 15.322 ( -9.795 0.000 1.372) 9.890 15.329 ( -9.130 0.000 0.083) 9.131 15.645 ( -4.594 0.000 12.289) 13.120 15.945 ( -8.680 0.000 -15.949) 18.158 16.389 ( -11.938 0.000 2.718) 12.243 16.416 ( -11.464 0.000 -0.539) 11.476 16.639 ( -15.688 0.000 7.467) 17.374 16.770 ( -17.414 0.000 -4.687) 18.034 ======================= Grid point 90 (33/54) ======================= q-point: ( 0.31 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.325 ( 9.613 0.000 5.352) 11.003 2.456 ( 10.146 0.000 -6.496) 12.048 2.831 ( 7.798 0.000 2.511) 8.193 2.880 ( 6.454 0.000 -1.884) 6.723 2.993 ( 18.136 0.000 4.332) 18.646 3.091 ( 17.767 0.000 -4.194) 18.255 3.283 ( 6.810 0.000 4.952) 8.420 3.389 ( 7.609 0.000 -4.326) 8.753 3.488 ( 13.020 0.000 1.272) 13.082 3.571 ( 13.443 0.000 -5.932) 14.693 3.676 ( 12.801 0.000 5.009) 13.746 3.742 ( 8.581 0.000 -1.072) 8.647 3.851 ( 6.792 0.000 1.883) 7.048 3.882 ( 3.416 0.000 -0.283) 3.428 3.913 ( 7.623 0.000 2.772) 8.111 3.976 ( 5.273 0.000 -0.657) 5.313 4.069 ( 8.164 0.000 0.837) 8.207 4.155 ( 7.365 0.000 -6.505) 9.826 4.404 ( 5.676 0.000 2.087) 6.048 4.405 ( 7.277 0.000 1.260) 7.386 4.532 ( 4.375 0.000 3.239) 5.444 4.657 ( 7.738 0.000 -2.263) 8.063 4.688 ( 9.653 0.000 5.669) 11.195 4.742 ( 8.232 0.000 -2.958) 8.747 4.908 ( 5.981 0.000 -3.110) 6.741 4.985 ( 8.588 0.000 -9.550) 12.844 5.202 ( 14.310 0.000 5.753) 15.423 5.309 ( 13.174 0.000 -2.108) 13.342 5.393 ( 22.501 0.000 2.927) 22.690 5.432 ( 18.873 0.000 0.200) 18.875 5.521 ( 3.318 0.000 0.791) 3.411 5.526 ( 2.314 0.000 1.479) 2.746 5.619 ( 5.621 0.000 -0.301) 5.629 5.642 ( 2.342 0.000 0.483) 2.391 5.798 ( 7.627 0.000 1.736) 7.822 5.896 ( 2.009 0.000 -7.253) 7.526 6.140 ( 9.040 0.000 3.552) 9.713 6.192 ( 7.783 0.000 -1.041) 7.852 6.292 ( -1.542 0.000 2.829) 3.222 6.350 ( 4.141 0.000 -2.488) 4.831 6.728 ( -2.116 0.000 5.251) 5.662 6.825 ( -0.907 0.000 -4.106) 4.205 6.924 ( 6.097 0.000 3.563) 7.062 6.951 ( -2.259 0.000 2.656) 3.487 7.014 ( -3.483 0.000 -1.083) 3.647 7.026 ( 3.031 0.000 -2.879) 4.180 7.184 ( 10.923 0.000 4.441) 11.791 7.267 ( 26.572 0.000 0.504) 26.576 7.269 ( 15.243 0.000 1.004) 15.276 7.295 ( 8.832 0.000 -3.613) 9.543 7.575 ( 16.615 0.000 1.505) 16.682 7.641 ( 15.229 0.000 -3.865) 15.711 7.727 ( 0.080 0.000 1.130) 1.133 7.776 ( -4.194 0.000 -2.850) 5.070 7.877 ( 5.957 0.000 0.288) 5.964 7.907 ( 7.853 0.000 -1.210) 7.946 8.019 ( 3.159 0.000 0.920) 3.290 8.069 ( 11.700 0.000 -3.011) 12.081 8.102 ( 27.605 0.000 0.172) 27.606 8.105 ( 23.558 0.000 -1.775) 23.624 8.296 ( 9.154 0.000 3.357) 9.750 8.336 ( 7.795 0.000 -0.399) 7.806 8.449 ( 21.958 0.000 5.454) 22.626 8.563 ( 22.242 0.000 -5.454) 22.901 8.828 ( 30.931 0.000 1.169) 30.953 8.838 ( 32.771 0.000 0.516) 32.775 9.049 ( -6.326 0.000 5.894) 8.646 9.179 ( -5.182 0.000 -5.823) 7.795 9.188 ( -9.480 0.000 4.090) 10.324 9.312 ( -9.862 0.000 -7.829) 12.592 9.837 ( -5.066 0.000 8.148) 9.594 9.853 ( 1.923 0.000 2.965) 3.534 9.973 ( 4.225 0.000 -3.688) 5.608 10.014 ( 0.351 0.000 -4.061) 4.076 10.097 ( 1.932 0.000 2.681) 3.305 10.165 ( 2.654 0.000 -2.839) 3.886 10.244 ( 1.695 0.000 6.877) 7.083 10.298 ( 4.351 0.000 -0.155) 4.354 10.396 ( 3.966 0.000 -4.450) 5.961 10.433 ( 2.157 0.000 -1.748) 2.776 10.513 ( 3.489 0.000 -5.151) 6.222 10.531 ( 3.066 0.000 -2.123) 3.729 10.731 ( 2.984 0.000 7.166) 7.762 10.755 ( -1.394 0.000 5.811) 5.976 10.866 ( 5.729 0.000 -4.608) 7.352 10.879 ( 2.466 0.000 3.141) 3.993 10.935 ( -1.812 0.000 -5.229) 5.534 11.010 ( 5.537 0.000 -3.117) 6.354 11.081 ( 2.645 0.000 1.870) 3.239 11.121 ( 7.365 0.000 -1.543) 7.525 11.182 ( 1.816 0.000 0.656) 1.931 11.199 ( 2.914 0.000 -1.378) 3.224 11.373 ( -3.037 0.000 4.921) 5.783 11.383 ( 5.320 0.000 2.777) 6.001 11.481 ( 20.836 0.000 -0.915) 20.856 11.511 ( 10.051 0.000 -2.483) 10.353 11.563 ( 10.539 0.000 -0.635) 10.558 11.595 ( 8.621 0.000 -1.763) 8.800 11.728 ( 12.155 0.000 6.153) 13.624 11.839 ( 14.276 0.000 -1.741) 14.381 12.113 ( 13.629 0.000 1.599) 13.722 12.133 ( 21.374 0.000 1.775) 21.447 12.253 ( 12.129 0.000 -3.070) 12.511 12.262 ( 12.022 0.000 -3.912) 12.642 12.501 ( 11.713 0.000 4.317) 12.483 12.574 ( 11.023 0.000 -3.026) 11.431 12.647 ( 6.960 0.000 0.704) 6.996 12.674 ( 7.311 0.000 -2.146) 7.619 12.867 ( 7.114 0.000 1.136) 7.204 12.888 ( 7.341 0.000 -0.677) 7.372 13.138 ( 0.407 0.000 4.446) 4.464 13.187 ( -0.214 0.000 0.411) 0.464 13.302 ( -2.785 0.000 -0.587) 2.846 13.324 ( -3.233 0.000 -1.801) 3.701 13.527 ( -10.537 0.000 2.356) 10.797 13.609 ( -10.553 0.000 -5.228) 11.777 13.813 ( -7.517 0.000 2.699) 7.987 13.883 ( -7.502 0.000 -4.218) 8.606 14.052 ( -9.794 0.000 1.653) 9.933 14.060 ( -9.275 0.000 0.444) 9.285 14.340 ( -6.585 0.000 3.600) 7.505 14.392 ( -2.478 0.000 -0.852) 2.620 14.566 ( -7.625 0.000 4.524) 8.866 14.712 ( -6.271 0.000 -8.732) 10.751 15.150 ( -7.384 0.000 3.630) 8.228 15.189 ( -5.217 0.000 -0.648) 5.257 15.568 ( -3.176 0.000 7.687) 8.317 15.779 ( -8.016 0.000 -12.134) 14.543 16.171 ( -10.530 0.000 4.114) 11.305 16.211 ( -9.551 0.000 -0.739) 9.579 16.371 ( -11.848 0.000 4.606) 12.712 16.465 ( -13.856 0.000 -3.775) 14.361 ======================= Grid point 91 (34/54) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 5.809 0.000 5.112) 7.738 2.597 ( 4.903 0.000 -5.894) 7.667 2.961 ( 5.377 0.000 1.880) 5.696 2.993 ( 5.285 0.000 -1.015) 5.382 3.269 ( 10.552 0.000 3.578) 11.142 3.352 ( 8.187 0.000 -3.172) 8.780 3.421 ( 7.984 0.000 2.688) 8.425 3.502 ( 4.344 0.000 -4.088) 5.965 3.728 ( 11.577 0.000 3.220) 12.016 3.834 ( 9.141 0.000 -4.354) 10.125 3.861 ( 6.705 0.000 -1.467) 6.864 3.871 ( 4.024 0.000 -0.604) 4.069 3.989 ( 9.486 0.000 3.737) 10.195 4.017 ( 8.939 0.000 0.866) 8.981 4.060 ( 7.141 0.000 1.648) 7.329 4.088 ( 6.472 0.000 -0.244) 6.477 4.259 ( 11.515 0.000 1.785) 11.652 4.321 ( 9.565 0.000 -4.310) 10.491 4.505 ( 5.247 0.000 1.640) 5.497 4.517 ( 4.741 0.000 0.469) 4.764 4.613 ( 4.405 0.000 3.874) 5.866 4.728 ( 1.426 0.000 -2.441) 2.827 4.797 ( 1.270 0.000 3.744) 3.953 4.860 ( 2.258 0.000 -4.684) 5.200 4.999 ( 4.527 0.000 0.490) 4.553 5.077 ( 2.084 0.000 -6.587) 6.909 5.357 ( -3.259 0.000 0.942) 3.392 5.364 ( 2.550 0.000 -0.344) 2.573 5.532 ( 0.723 0.000 3.937) 4.003 5.588 ( 5.189 0.000 4.996) 7.203 5.632 ( 4.775 0.000 3.694) 6.037 5.662 ( 5.592 0.000 -5.240) 7.664 5.828 ( 6.110 0.000 -2.790) 6.717 5.828 ( 10.141 0.000 -0.995) 10.189 5.927 ( 3.429 0.000 -3.503) 4.902 5.936 ( 8.997 0.000 -2.855) 9.440 6.265 ( 2.183 0.000 3.024) 3.729 6.281 ( 3.471 0.000 1.558) 3.804 6.399 ( 7.924 0.000 6.032) 9.959 6.502 ( 9.200 0.000 -3.625) 9.889 6.649 ( -1.451 0.000 1.531) 2.109 6.686 ( -7.548 0.000 -1.591) 7.713 6.921 ( -3.185 0.000 1.603) 3.566 6.942 ( 1.459 0.000 0.114) 1.463 7.062 ( 5.864 0.000 2.298) 6.298 7.093 ( -0.266 0.000 -0.337) 0.430 7.148 ( -1.576 0.000 0.801) 1.767 7.216 ( -9.993 0.000 -4.403) 10.920 7.483 ( -10.055 0.000 0.748) 10.083 7.490 ( -5.769 0.000 -0.135) 5.770 7.653 ( 10.908 0.000 4.412) 11.767 7.732 ( 5.357 0.000 -1.557) 5.578 7.819 ( 4.274 0.000 -0.243) 4.281 7.829 ( 1.596 0.000 -1.292) 2.054 7.969 ( 5.847 0.000 -3.282) 6.705 7.974 ( -4.379 0.000 -2.151) 4.879 8.190 ( 15.776 0.000 4.088) 16.297 8.260 ( 13.853 0.000 -2.492) 14.075 8.518 ( 8.449 0.000 1.870) 8.654 8.552 ( 16.161 0.000 -1.698) 16.250 8.651 ( 24.477 0.000 2.825) 24.639 8.696 ( 23.770 0.000 -1.719) 23.832 8.881 ( 4.788 0.000 0.587) 4.823 8.900 ( 16.162 0.000 -0.112) 16.162 9.028 ( -0.787 0.000 3.557) 3.644 9.117 ( 0.349 0.000 -4.476) 4.490 9.132 ( 15.036 0.000 0.922) 15.064 9.161 ( 3.028 0.000 -2.310) 3.808 9.468 ( 25.138 0.000 0.359) 25.141 9.486 ( 27.185 0.000 -1.031) 27.205 9.758 ( -2.611 0.000 7.686) 8.118 9.858 ( -0.504 0.000 -1.296) 1.391 10.044 ( 3.493 0.000 -0.692) 3.561 10.064 ( 3.877 0.000 -3.228) 5.045 10.153 ( 3.213 0.000 4.590) 5.602 10.240 ( 4.933 0.000 -1.875) 5.277 10.277 ( 1.991 0.000 2.344) 3.075 10.321 ( -0.763 0.000 -2.232) 2.359 10.448 ( 2.672 0.000 -2.467) 3.637 10.473 ( 2.869 0.000 -3.134) 4.249 10.538 ( -0.134 0.000 -1.592) 1.598 10.540 ( -0.116 0.000 -0.645) 0.655 10.717 ( -0.744 0.000 1.219) 1.429 10.717 ( -3.854 0.000 4.124) 5.644 10.873 ( -1.513 0.000 1.855) 2.393 10.921 ( -0.065 0.000 -3.247) 3.248 10.932 ( 1.731 0.000 0.927) 1.964 11.022 ( -1.839 0.000 -4.342) 4.716 11.107 ( -1.742 0.000 5.172) 5.457 11.116 ( -7.066 0.000 2.213) 7.404 11.203 ( 1.696 0.000 -0.446) 1.754 11.267 ( 3.622 0.000 -4.058) 5.439 11.357 ( 4.591 0.000 0.464) 4.614 11.360 ( -0.481 0.000 0.465) 0.669 11.655 ( 4.609 0.000 -1.694) 4.910 11.658 ( 2.627 0.000 -1.159) 2.871 11.927 ( 17.856 0.000 0.781) 17.873 11.936 ( 18.696 0.000 0.751) 18.711 12.057 ( 6.032 0.000 7.484) 9.612 12.059 ( 18.223 0.000 4.347) 18.735 12.291 ( 7.473 0.000 -3.546) 8.271 12.388 ( 0.935 0.000 -7.291) 7.351 12.467 ( 7.558 0.000 0.852) 7.606 12.484 ( 11.391 0.000 -2.383) 11.638 12.659 ( 2.158 0.000 1.549) 2.656 12.700 ( 7.763 0.000 -1.407) 7.890 12.794 ( 9.226 0.000 2.830) 9.650 12.853 ( 9.420 0.000 -2.619) 9.777 13.008 ( 6.730 0.000 -0.128) 6.731 13.017 ( 5.411 0.000 -1.285) 5.562 13.175 ( -3.144 0.000 1.593) 3.524 13.203 ( 0.755 0.000 1.202) 1.419 13.270 ( 3.404 0.000 1.180) 3.602 13.279 ( 3.046 0.000 2.007) 3.648 13.408 ( -1.890 0.000 2.466) 3.106 13.471 ( -3.269 0.000 -2.127) 3.900 13.702 ( -4.198 0.000 1.182) 4.361 13.771 ( -4.012 0.000 -4.449) 5.991 13.904 ( -5.432 0.000 0.404) 5.447 13.930 ( -4.137 0.000 -2.458) 4.812 14.250 ( -3.163 0.000 5.328) 6.196 14.339 ( -3.273 0.000 -3.063) 4.483 14.478 ( -2.297 0.000 4.705) 5.236 14.591 ( -6.501 0.000 -5.792) 8.707 15.044 ( -3.592 0.000 4.965) 6.128 15.123 ( -1.822 0.000 -2.427) 3.035 15.530 ( -0.617 0.000 3.507) 3.561 15.647 ( -5.201 0.000 -7.924) 9.478 15.981 ( -8.964 0.000 5.504) 10.519 16.045 ( -7.561 0.000 -1.359) 7.682 16.181 ( -7.617 0.000 1.937) 7.860 16.233 ( -9.916 0.000 -2.580) 10.246 ======================= Grid point 92 (35/54) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.555 ( 2.477 0.000 4.270) 4.936 2.662 ( 1.993 0.000 -5.591) 5.936 3.039 ( 2.726 0.000 2.345) 3.596 3.079 ( 3.342 0.000 -1.447) 3.642 3.414 ( 4.584 0.000 2.422) 5.185 3.441 ( 2.405 0.000 0.637) 2.488 3.566 ( 5.706 0.000 -2.280) 6.145 3.569 ( 2.638 0.000 -1.785) 3.185 3.874 ( 0.441 0.000 0.752) 0.872 3.886 ( 1.443 0.000 0.170) 1.453 3.930 ( 5.902 0.000 4.759) 7.582 4.053 ( 7.088 0.000 -5.376) 8.896 4.140 ( 5.094 0.000 1.673) 5.361 4.146 ( 5.342 0.000 0.591) 5.374 4.190 ( 5.509 0.000 0.332) 5.519 4.211 ( 4.896 0.000 -1.603) 5.152 4.478 ( 8.814 0.000 0.024) 8.814 4.489 ( 6.660 0.000 -1.159) 6.760 4.604 ( 4.297 0.000 1.341) 4.501 4.610 ( 4.146 0.000 0.159) 4.149 4.683 ( 1.713 0.000 2.476) 3.011 4.717 ( -1.008 0.000 0.075) 1.011 4.780 ( -1.052 0.000 3.546) 3.699 4.907 ( 2.767 0.000 -7.280) 7.788 5.063 ( 2.371 0.000 2.131) 3.188 5.098 ( 0.401 0.000 0.220) 0.458 5.295 ( -2.178 0.000 0.956) 2.378 5.332 ( -3.872 0.000 -2.020) 4.367 5.564 ( 1.604 0.000 2.209) 2.730 5.638 ( -2.523 0.000 -4.463) 5.126 5.728 ( 4.472 0.000 2.362) 5.058 5.734 ( 5.531 0.000 2.914) 6.252 5.858 ( -1.198 0.000 -3.718) 3.907 5.876 ( 1.552 0.000 -5.278) 5.502 6.059 ( 4.248 0.000 2.490) 4.924 6.092 ( 5.207 0.000 0.047) 5.207 6.271 ( -3.251 0.000 0.527) 3.294 6.278 ( -2.086 0.000 0.242) 2.100 6.474 ( 1.926 0.000 7.863) 8.096 6.591 ( 2.517 0.000 -3.929) 4.666 6.623 ( -0.362 0.000 2.303) 2.331 6.707 ( 1.629 0.000 -4.758) 5.029 6.900 ( 1.293 0.000 6.016) 6.154 6.957 ( -3.568 0.000 1.884) 4.035 7.012 ( -7.718 0.000 -1.701) 7.903 7.029 ( 1.606 0.000 -4.817) 5.078 7.159 ( 2.946 0.000 1.472) 3.293 7.199 ( 2.223 0.000 -2.086) 3.049 7.362 ( -1.806 0.000 2.685) 3.236 7.415 ( -1.039 0.000 -2.238) 2.468 7.686 ( -4.829 0.000 0.153) 4.832 7.686 ( -3.169 0.000 0.182) 3.174 7.909 ( 6.497 0.000 0.761) 6.541 7.926 ( 5.467 0.000 -0.696) 5.511 8.001 ( 4.892 0.000 3.791) 6.189 8.112 ( 5.155 0.000 -6.189) 8.054 8.276 ( -5.431 0.000 -0.099) 5.432 8.308 ( -5.433 0.000 -2.336) 5.914 8.651 ( 5.447 0.000 10.073) 11.451 8.829 ( 10.043 0.000 -6.080) 11.740 8.930 ( 3.409 0.000 2.796) 4.409 8.961 ( 5.093 0.000 1.282) 5.252 9.014 ( -0.321 0.000 -3.013) 3.030 9.027 ( 9.686 0.000 -1.935) 9.878 9.150 ( 13.262 0.000 2.413) 13.480 9.226 ( 13.691 0.000 -4.559) 14.430 9.376 ( 6.514 0.000 0.414) 6.527 9.379 ( 8.471 0.000 0.480) 8.485 9.722 ( 1.017 0.000 7.228) 7.299 9.807 ( 7.177 0.000 2.331) 7.546 9.832 ( 6.626 0.000 -2.596) 7.117 9.864 ( 3.258 0.000 -2.729) 4.250 10.124 ( 4.329 0.000 0.607) 4.372 10.137 ( 3.185 0.000 -1.078) 3.362 10.190 ( 0.450 0.000 4.460) 4.483 10.258 ( -2.109 0.000 -0.366) 2.141 10.318 ( 2.034 0.000 -1.534) 2.548 10.366 ( 2.940 0.000 -7.150) 7.731 10.503 ( 1.733 0.000 2.629) 3.149 10.511 ( 1.512 0.000 2.442) 2.872 10.572 ( 3.761 0.000 -0.124) 3.763 10.590 ( 5.475 0.000 -3.161) 6.322 10.644 ( -2.566 0.000 0.863) 2.708 10.723 ( 0.532 0.000 -5.952) 5.976 10.853 ( 0.005 0.000 3.125) 3.125 10.885 ( -1.246 0.000 -0.157) 1.256 10.948 ( -2.678 0.000 4.548) 5.278 11.019 ( -0.052 0.000 0.218) 0.224 11.022 ( 0.533 0.000 -1.804) 1.881 11.045 ( -2.859 0.000 1.131) 3.074 11.198 ( -1.113 0.000 1.724) 2.052 11.287 ( -0.101 0.000 -3.591) 3.592 11.459 ( 8.571 0.000 2.666) 8.976 11.527 ( 10.295 0.000 -3.783) 10.968 11.695 ( -0.427 0.000 -0.326) 0.537 11.699 ( 2.044 0.000 -0.081) 2.045 12.003 ( -5.258 0.000 11.254) 12.422 12.149 ( 0.187 0.000 0.077) 0.202 12.216 ( -0.252 0.000 -2.230) 2.244 12.249 ( 9.390 0.000 -3.298) 9.952 12.357 ( -1.184 0.000 0.454) 1.268 12.417 ( 3.247 0.000 -4.347) 5.425 12.557 ( 5.047 0.000 0.818) 5.113 12.614 ( 9.245 0.000 -2.885) 9.685 12.819 ( 9.088 0.000 1.826) 9.269 12.845 ( 5.739 0.000 -0.193) 5.742 12.924 ( 3.439 0.000 1.444) 3.730 12.970 ( 1.140 0.000 -2.661) 2.895 13.084 ( 2.591 0.000 0.832) 2.721 13.105 ( 0.924 0.000 -0.826) 1.239 13.152 ( 3.548 0.000 2.670) 4.440 13.220 ( 3.161 0.000 -2.656) 4.129 13.297 ( -1.616 0.000 2.669) 3.120 13.340 ( 0.549 0.000 -1.272) 1.386 13.462 ( 4.996 0.000 3.216) 5.942 13.500 ( 4.654 0.000 1.399) 4.860 13.636 ( -2.887 0.000 1.979) 3.500 13.723 ( -1.103 0.000 -3.412) 3.585 13.843 ( -0.748 0.000 -0.117) 0.757 13.898 ( 0.888 0.000 -4.658) 4.742 14.201 ( -2.250 0.000 4.704) 5.214 14.272 ( -3.332 0.000 -2.140) 3.960 14.445 ( -1.316 0.000 0.874) 1.580 14.466 ( -5.678 0.000 -0.974) 5.761 15.000 ( -1.277 0.000 4.659) 4.831 15.104 ( -0.455 0.000 -4.719) 4.741 15.542 ( 1.582 0.000 1.105) 1.930 15.584 ( -1.351 0.000 -3.192) 3.466 15.829 ( -6.315 0.000 5.732) 8.528 15.917 ( -5.424 0.000 -2.739) 6.076 16.073 ( -3.603 0.000 0.298) 3.615 16.085 ( -5.188 0.000 -0.839) 5.255 ======================= Grid point 93 (36/54) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 0.000 0.000 3.906) 3.906 2.681 ( 0.000 0.000 -5.618) 5.618 3.066 ( 0.000 0.000 2.707) 2.707 3.113 ( 0.000 0.000 -1.819) 1.819 3.456 ( 0.000 0.000 1.506) 1.506 3.464 ( 0.000 0.000 0.979) 0.979 3.597 ( 0.000 0.000 -0.248) 0.248 3.624 ( 0.000 0.000 -2.946) 2.946 3.877 ( 0.000 0.000 0.484) 0.484 3.889 ( 0.000 0.000 -0.657) 0.657 3.997 ( 0.000 0.000 6.783) 6.783 4.114 ( 0.000 0.000 -2.807) 2.807 4.192 ( 0.000 0.000 0.908) 0.908 4.212 ( -0.000 0.000 -0.741) 0.741 4.246 ( 0.000 0.000 -0.104) 0.104 4.261 ( 0.000 0.000 -2.792) 2.792 4.570 ( 0.000 0.000 -0.734) 0.734 4.574 ( 0.000 0.000 -0.777) 0.777 4.604 ( -0.000 0.000 -0.048) 0.048 4.619 ( 0.000 0.000 -1.983) 1.983 4.717 ( 0.000 0.000 2.332) 2.332 4.737 ( 0.000 0.000 -0.013) 0.013 4.777 ( 0.000 0.000 7.518) 7.518 4.935 ( 0.000 0.000 -5.753) 5.753 5.096 ( 0.000 0.000 0.616) 0.616 5.098 ( 0.000 0.000 2.421) 2.421 5.281 ( 0.000 0.000 -0.207) 0.207 5.281 ( 0.000 0.000 -0.176) 0.176 5.577 ( 0.000 0.000 -1.188) 1.188 5.592 ( 0.000 0.000 -3.625) 3.625 5.783 ( 0.000 0.000 2.212) 2.212 5.810 ( 0.000 0.000 2.583) 2.583 5.837 ( 0.000 0.000 -2.757) 2.757 5.894 ( 0.000 0.000 -5.527) 5.527 6.086 ( 0.000 0.000 4.226) 4.226 6.171 ( 0.000 0.000 -3.570) 3.570 6.181 ( -0.000 0.000 5.180) 5.180 6.250 ( 0.000 0.000 -1.802) 1.802 6.507 ( -0.000 0.000 8.222) 8.222 6.613 ( 0.000 0.000 1.168) 1.168 6.649 ( 0.000 0.000 -2.018) 2.018 6.669 ( 0.000 0.000 -6.583) 6.583 6.904 ( 0.000 0.000 0.851) 0.851 6.907 ( 0.000 0.000 0.539) 0.539 6.965 ( 0.000 0.000 4.314) 4.314 7.063 ( 0.000 0.000 -4.636) 4.636 7.187 ( 0.000 0.000 1.147) 1.147 7.220 ( 0.000 0.000 -1.818) 1.818 7.358 ( 0.000 0.000 2.789) 2.789 7.415 ( 0.000 0.000 -2.395) 2.395 7.632 ( 0.000 0.000 0.438) 0.438 7.644 ( 0.000 0.000 -0.631) 0.631 8.011 ( 0.000 0.000 0.691) 0.691 8.023 ( 0.000 0.000 -0.314) 0.314 8.057 ( 0.000 0.000 4.563) 4.563 8.130 ( -0.000 0.000 3.154) 3.154 8.188 ( -0.000 0.000 -7.987) 7.987 8.209 ( 0.000 0.000 -4.021) 4.021 8.697 ( 0.000 0.000 10.273) 10.273 8.898 ( 0.000 0.000 -8.748) 8.748 8.972 ( 0.000 0.000 1.926) 1.926 9.016 ( 0.000 0.000 -2.059) 2.059 9.029 ( 0.000 0.000 4.638) 4.638 9.117 ( 0.000 0.000 -3.364) 3.364 9.336 ( 0.000 0.000 2.030) 2.030 9.385 ( 0.000 0.000 -2.293) 2.293 9.398 ( -0.000 0.000 1.712) 1.712 9.442 ( -0.000 0.000 -2.259) 2.259 9.735 ( 0.000 0.000 6.920) 6.920 9.855 ( 0.000 0.000 -3.832) 3.832 9.862 ( 0.000 0.000 3.198) 3.198 9.927 ( 0.000 0.000 -2.684) 2.684 10.173 ( 0.000 0.000 0.270) 0.270 10.174 ( 0.000 0.000 0.128) 0.128 10.190 ( 0.000 0.000 3.203) 3.203 10.228 ( 0.000 0.000 0.132) 0.132 10.338 ( 0.000 0.000 -1.111) 1.111 10.382 ( 0.000 0.000 -5.346) 5.346 10.522 ( 0.000 0.000 3.699) 3.699 10.541 ( 0.000 0.000 -1.032) 1.032 10.617 ( -0.000 0.000 0.758) 0.758 10.624 ( 0.000 0.000 -0.704) 0.704 10.651 ( 0.000 0.000 -2.256) 2.256 10.724 ( 0.000 0.000 -7.907) 7.907 10.876 ( -0.000 0.000 7.219) 7.219 10.892 ( 0.000 0.000 0.850) 0.850 10.901 ( -0.000 0.000 0.008) 0.008 10.984 ( 0.000 0.000 -0.386) 0.386 11.035 ( 0.000 0.000 0.488) 0.488 11.050 ( 0.000 0.000 -0.875) 0.875 11.185 ( 0.000 0.000 3.996) 3.996 11.284 ( 0.000 0.000 -3.566) 3.566 11.613 ( -0.000 0.000 0.896) 0.896 11.634 ( 0.000 0.000 5.258) 5.258 11.644 ( 0.000 0.000 -1.602) 1.602 11.755 ( 0.000 0.000 -5.719) 5.719 11.929 ( 0.000 0.000 6.982) 6.982 12.021 ( -0.000 0.000 -1.789) 1.789 12.272 ( 0.000 0.000 2.982) 2.982 12.329 ( 0.000 0.000 1.520) 1.520 12.346 ( 0.000 0.000 -3.835) 3.835 12.424 ( 0.000 0.000 -6.965) 6.965 12.649 ( 0.000 0.000 4.661) 4.661 12.729 ( 0.000 0.000 -2.200) 2.200 12.880 ( 0.000 0.000 1.019) 1.019 12.925 ( 0.000 0.000 -3.564) 3.564 12.948 ( 0.000 0.000 1.566) 1.566 12.970 ( 0.000 0.000 -0.422) 0.422 13.094 ( 0.000 0.000 1.871) 1.871 13.115 ( 0.000 0.000 0.328) 0.328 13.223 ( -0.000 0.000 2.875) 2.875 13.261 ( 0.000 0.000 0.913) 0.913 13.279 ( 0.000 0.000 -0.656) 0.656 13.322 ( -0.000 0.000 -5.763) 5.763 13.514 ( 0.000 0.000 2.922) 2.922 13.577 ( -0.000 0.000 7.670) 7.670 13.579 ( 0.000 0.000 -3.042) 3.042 13.715 ( 0.000 0.000 -3.941) 3.941 13.851 ( 0.000 0.000 1.595) 1.595 13.927 ( 0.000 0.000 -4.429) 4.429 14.170 ( 0.000 0.000 3.493) 3.493 14.231 ( 0.000 0.000 -2.220) 2.220 14.404 ( 0.000 0.000 1.643) 1.643 14.431 ( 0.000 0.000 -0.797) 0.797 14.988 ( 0.000 0.000 4.373) 4.373 15.100 ( 0.000 0.000 -5.858) 5.858 15.565 ( 0.000 0.000 0.535) 0.535 15.577 ( 0.000 0.000 -0.557) 0.557 15.760 ( 0.000 0.000 5.224) 5.224 15.857 ( 0.000 0.000 -3.686) 3.686 16.035 ( 0.000 0.000 0.107) 0.107 16.038 ( 0.000 0.000 -0.214) 0.214 ======================= Grid point 102 (37/54) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 24.110 15.239) 28.522 0.893 ( 0.000 21.686 23.493) 31.972 1.131 ( 0.000 14.106 -14.826) 20.464 1.451 ( 0.000 14.506 -26.089) 29.850 1.666 ( 0.000 39.927 30.655) 50.338 1.795 ( 0.000 -1.533 4.455) 4.711 1.870 ( 0.000 -3.019 -2.716) 4.061 2.094 ( 0.000 -3.482 5.036) 6.122 2.326 ( 0.000 -5.516 3.978) 6.800 2.375 ( 0.000 -2.720 -1.944) 3.343 2.408 ( 0.000 -4.772 -3.437) 5.881 2.433 ( 0.000 -9.323 -5.922) 11.045 2.703 ( 0.000 7.157 0.111) 7.158 2.850 ( 0.000 -6.304 1.069) 6.394 2.872 ( 0.000 -6.008 -0.861) 6.069 3.002 ( 0.000 -17.463 -6.314) 18.570 3.108 ( 0.000 -6.843 -1.640) 7.036 3.217 ( 0.000 -8.036 -14.700) 16.754 3.384 ( 0.000 4.772 7.096) 8.552 3.481 ( 0.000 2.824 1.128) 3.041 3.505 ( 0.000 2.406 -1.029) 2.617 3.550 ( 0.000 8.067 -8.008) 11.367 3.674 ( 0.000 -2.848 6.657) 7.240 3.753 ( 0.000 2.137 1.667) 2.710 3.796 ( 0.000 1.559 -2.139) 2.647 3.900 ( 0.000 2.156 -10.725) 10.939 4.027 ( 0.000 7.275 3.474) 8.062 4.040 ( 0.000 -2.037 1.469) 2.511 4.066 ( 0.000 -1.858 -0.909) 2.069 4.136 ( 0.000 7.533 -5.886) 9.560 4.170 ( 0.000 1.142 1.114) 1.595 4.199 ( 0.000 1.605 -1.494) 2.192 4.342 ( 0.000 0.704 10.561) 10.584 4.498 ( 0.000 -19.375 1.260) 19.416 4.635 ( 0.000 1.006 1.377) 1.706 4.664 ( 0.000 1.582 -1.184) 1.976 4.758 ( 0.000 -2.622 -0.010) 2.622 4.834 ( 0.000 -11.020 -4.323) 11.838 4.986 ( 0.000 -0.752 0.544) 0.928 4.998 ( 0.000 -0.727 -0.527) 0.898 5.061 ( 0.000 1.135 13.154) 13.203 5.176 ( 0.000 -9.308 4.670) 10.413 5.674 ( 0.000 4.434 14.380) 15.048 5.876 ( 0.000 -3.191 -4.060) 5.164 6.034 ( 0.000 -3.539 2.742) 4.477 6.147 ( 0.000 -1.839 -7.026) 7.263 6.229 ( 0.000 -8.013 4.041) 8.974 6.425 ( 0.000 -0.730 -11.308) 11.331 6.679 ( 0.000 -4.055 8.835) 9.722 6.838 ( 0.000 1.578 -4.195) 4.482 7.175 ( 0.000 -1.675 5.786) 6.023 7.233 ( 0.000 -8.530 11.353) 14.201 7.265 ( 0.000 0.092 0.376) 0.387 7.273 ( 0.000 0.040 -0.379) 0.381 7.354 ( 0.000 0.410 -1.721) 1.769 7.522 ( 0.000 -3.530 -5.653) 6.664 7.720 ( 0.000 2.452 4.238) 4.897 7.818 ( 0.000 2.294 -3.180) 3.921 8.024 ( 0.000 5.196 1.037) 5.298 8.135 ( 0.000 0.620 -8.202) 8.225 8.274 ( 0.000 -0.193 0.129) 0.232 8.277 ( 0.000 -0.155 -0.135) 0.206 8.382 ( 0.000 -7.282 -0.835) 7.330 8.434 ( 0.000 -7.163 -5.326) 8.926 8.833 ( 0.000 2.783 4.089) 4.946 8.929 ( 0.000 1.025 -3.899) 4.031 8.945 ( 0.000 -0.044 0.261) 0.265 8.950 ( 0.000 -0.065 -0.216) 0.225 9.108 ( 0.000 0.050 4.130) 4.130 9.191 ( 0.000 3.722 -3.845) 5.351 9.387 ( 0.000 0.979 1.265) 1.600 9.398 ( 0.000 4.521 12.372) 13.172 9.421 ( 0.000 0.841 -1.995) 2.165 9.561 ( 0.000 -0.048 2.243) 2.244 9.603 ( 0.000 -0.208 -1.704) 1.717 9.643 ( 0.000 4.075 -9.574) 10.405 9.771 ( 0.000 -0.874 0.691) 1.114 9.785 ( 0.000 -1.115 -0.607) 1.270 9.816 ( 0.000 0.447 5.746) 5.764 9.907 ( 0.000 3.753 -1.351) 3.989 9.925 ( 0.000 0.867 0.479) 0.991 9.936 ( 0.000 0.184 -0.387) 0.429 10.066 ( 0.000 0.186 0.891) 0.911 10.088 ( 0.000 -0.337 -1.062) 1.114 10.101 ( 0.000 -1.007 5.027) 5.127 10.186 ( 0.000 -0.820 1.767) 1.948 10.250 ( 0.000 3.165 -2.719) 4.173 10.288 ( 0.000 -0.664 -4.881) 4.926 10.326 ( 0.000 -0.347 0.888) 0.953 10.345 ( 0.000 0.092 -0.846) 0.850 10.425 ( 0.000 3.327 1.819) 3.792 10.475 ( 0.000 3.420 -0.688) 3.489 10.563 ( 0.000 -0.003 1.448) 1.448 10.594 ( 0.000 0.050 -1.391) 1.392 10.803 ( 0.000 -0.859 4.131) 4.220 10.910 ( 0.000 0.102 -4.345) 4.346 10.987 ( 0.000 -0.057 0.483) 0.487 10.997 ( 0.000 -0.085 -0.431) 0.439 11.122 ( 0.000 -1.808 6.749) 6.987 11.214 ( 0.000 4.450 1.889) 4.834 11.275 ( 0.000 1.315 -1.544) 2.028 11.353 ( 0.000 -1.811 -7.336) 7.556 11.433 ( 0.000 0.102 0.080) 0.130 11.435 ( 0.000 0.111 -0.080) 0.137 11.572 ( 0.000 1.029 3.836) 3.972 11.660 ( 0.000 3.749 -5.140) 6.362 12.342 ( 0.000 1.527 5.391) 5.603 12.434 ( 0.000 -4.205 -2.850) 5.080 12.583 ( 0.000 -1.237 2.413) 2.712 12.661 ( 0.000 3.184 -5.146) 6.051 12.960 ( 0.000 -0.385 6.573) 6.585 13.065 ( 0.000 -1.645 -4.714) 4.993 13.651 ( 0.000 -0.110 3.168) 3.170 13.808 ( 0.000 -1.922 -11.751) 11.907 14.426 ( 0.000 3.100 3.094) 4.380 14.473 ( 0.000 4.793 -0.001) 4.793 14.597 ( 0.000 2.517 6.768) 7.221 14.707 ( 0.000 0.357 0.664) 0.754 14.883 ( 0.000 2.229 -1.002) 2.444 14.972 ( 0.000 -0.203 -7.250) 7.253 15.353 ( 0.000 -5.479 5.258) 7.594 15.420 ( 0.000 -2.040 -1.569) 2.573 15.544 ( 0.000 4.068 -1.387) 4.298 15.607 ( 0.000 2.281 -6.811) 7.182 15.851 ( 0.000 8.386 0.508) 8.401 15.872 ( 0.000 7.231 -1.506) 7.386 16.188 ( 0.000 -5.079 4.631) 6.873 16.309 ( 0.000 -7.051 -6.340) 9.483 17.206 ( 0.000 6.770 3.021) 7.414 17.292 ( 0.000 8.527 -6.507) 10.726 17.855 ( 0.000 -6.167 6.780) 9.165 17.962 ( 0.000 -2.512 -4.371) 5.041 ======================= Grid point 103 (38/54) ======================= q-point: ( 0.06 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( 13.073 17.454 19.463) 29.229 1.198 ( 22.782 20.540 13.271) 33.422 1.506 ( 26.383 8.791 -14.151) 31.202 1.556 ( 12.089 8.690 -23.654) 27.950 1.927 ( 31.627 27.548 18.657) 45.905 2.063 ( 22.140 4.442 3.962) 22.926 2.142 ( 14.552 -6.728 4.456) 16.640 2.170 ( 18.629 -4.413 3.158) 19.403 2.410 ( 8.200 -3.952 -2.584) 9.462 2.452 ( 7.117 -4.272 -2.818) 8.765 2.572 ( 15.362 -3.726 10.578) 19.020 2.649 ( 21.187 -3.689 -3.415) 21.775 2.735 ( 9.484 3.935 -3.025) 10.705 2.991 ( 2.753 -13.630 -6.447) 15.327 3.050 ( 12.203 -7.390 0.200) 14.267 3.069 ( 15.867 -6.339 -1.436) 17.146 3.131 ( 6.836 -4.023 -1.982) 8.176 3.226 ( 2.382 -5.663 -14.317) 15.580 3.356 ( -1.410 4.825 7.213) 8.792 3.525 ( -0.534 7.756 -8.072) 11.207 3.629 ( 3.884 0.472 4.429) 5.910 3.722 ( 16.099 1.318 -0.844) 16.175 3.761 ( 19.026 1.139 1.913) 19.156 3.865 ( 4.089 1.752 -5.407) 7.002 3.944 ( 9.022 3.177 0.315) 9.570 3.972 ( 13.502 -0.021 -1.275) 13.562 4.061 ( 9.157 5.732 0.016) 10.803 4.138 ( 5.594 7.854 -4.889) 10.811 4.212 ( 7.892 -0.080 2.891) 8.405 4.237 ( 9.798 -0.511 0.742) 9.840 4.314 ( 18.246 0.448 2.351) 18.403 4.351 ( 15.944 0.213 -0.237) 15.947 4.490 ( 16.232 0.231 3.576) 16.623 4.610 ( 13.025 -5.490 -4.081) 14.712 4.766 ( 6.720 -6.550 0.502) 9.397 4.789 ( 8.314 -4.444 0.114) 9.428 4.875 ( 18.445 -1.866 1.435) 18.594 4.908 ( 14.915 -3.166 0.796) 15.268 5.065 ( 5.754 -0.259 6.734) 8.861 5.107 ( 7.914 -1.670 1.136) 8.168 5.198 ( 14.945 -2.281 3.239) 15.461 5.228 ( 12.108 -5.708 1.752) 13.500 5.656 ( -0.589 3.136 14.458) 14.806 5.865 ( -0.579 -3.107 -4.405) 5.421 6.010 ( -1.744 -4.232 3.225) 5.599 6.118 ( -2.164 -2.208 -6.475) 7.175 6.209 ( -1.444 -6.719 4.113) 8.009 6.402 ( -1.640 0.305 -11.138) 11.262 6.659 ( -1.447 -3.721 7.884) 8.837 6.798 ( -3.198 1.934 -3.472) 5.101 7.116 ( -4.508 -1.042 5.882) 7.484 7.155 ( -5.733 -4.964 9.058) 11.814 7.288 ( -4.301 1.281 -3.691) 5.810 7.411 ( -6.833 -2.960 -7.205) 10.362 7.558 ( 24.376 0.342 0.116) 24.378 7.569 ( 21.968 -0.243 -1.039) 21.994 7.639 ( -3.348 6.058 7.317) 10.072 7.769 ( -3.470 2.436 -4.292) 6.034 7.908 ( -7.764 10.968 4.971) 14.328 8.059 ( -6.087 2.279 -7.780) 10.138 8.216 ( -8.241 -4.091 1.547) 9.330 8.295 ( -6.314 -4.466 -5.242) 9.343 8.505 ( 19.586 0.218 0.173) 19.588 8.513 ( 18.590 -0.246 -0.709) 18.605 8.758 ( -5.230 4.226 3.394) 7.532 8.844 ( -6.711 2.081 -3.857) 8.015 8.941 ( -7.812 2.526 2.675) 8.635 9.012 ( -5.862 0.985 -2.783) 6.564 9.190 ( 5.927 1.335 4.970) 7.850 9.259 ( 13.085 -0.018 -1.607) 13.183 9.335 ( 4.262 0.881 6.482) 7.807 9.458 ( -5.360 2.413 -3.618) 6.902 9.552 ( 9.171 0.831 1.787) 9.380 9.589 ( 7.500 1.962 -0.653) 7.779 9.677 ( 3.071 0.109 -0.626) 3.136 9.703 ( 3.275 -0.250 -2.865) 4.358 9.835 ( 7.411 0.228 2.106) 7.708 9.866 ( 2.967 1.232 -1.428) 3.515 9.890 ( 10.771 0.142 1.774) 10.917 9.943 ( 4.774 3.088 -1.909) 5.998 9.984 ( 9.473 -0.824 0.265) 9.513 10.052 ( 6.048 0.638 -3.277) 6.908 10.140 ( 4.930 -1.695 2.803) 5.919 10.168 ( 7.282 -1.238 1.082) 7.465 10.189 ( 6.572 -2.839 0.559) 7.181 10.215 ( 8.628 -2.806 -1.820) 9.253 10.285 ( 2.711 -1.544 1.509) 3.466 10.326 ( 4.382 -2.539 -2.562) 5.675 10.431 ( 4.893 1.565 0.174) 5.140 10.439 ( 4.768 2.908 -0.175) 5.587 10.481 ( 8.824 1.171 0.401) 8.911 10.503 ( 8.371 3.208 -0.967) 9.017 10.649 ( 7.296 0.574 1.688) 7.510 10.676 ( 7.300 0.732 -0.387) 7.347 10.830 ( 2.800 -0.580 2.734) 3.956 10.920 ( 1.595 -0.331 -4.187) 4.493 11.034 ( 2.901 -1.538 2.590) 4.182 11.072 ( 5.410 -0.664 -0.703) 5.496 11.157 ( 4.086 -0.171 3.011) 5.079 11.210 ( 0.784 3.148 1.859) 3.739 11.265 ( 0.806 1.042 -0.418) 1.383 11.352 ( 0.667 -1.805 -6.388) 6.672 11.487 ( 5.681 -1.103 1.049) 5.882 11.520 ( 7.140 -2.398 -1.906) 7.770 11.612 ( 3.473 2.299 5.050) 6.546 11.714 ( 4.175 2.756 -4.807) 6.937 12.370 ( 2.402 -0.725 4.365) 5.035 12.440 ( 0.264 -5.568 -1.858) 5.875 12.625 ( 2.315 -0.893 2.457) 3.492 12.709 ( 3.320 3.107 -5.828) 7.392 13.000 ( 3.861 -1.761 5.646) 7.063 13.090 ( 2.213 -2.738 -3.590) 5.028 13.617 ( -3.585 -0.316 2.976) 4.670 13.771 ( -4.025 -2.205 -11.559) 12.437 14.396 ( -3.329 2.629 3.410) 5.442 14.436 ( -3.920 4.556 0.570) 6.038 14.541 ( -5.742 2.601 6.454) 9.022 14.649 ( -5.759 0.773 0.347) 5.821 14.830 ( -5.646 1.499 -1.388) 6.004 14.909 ( -6.302 -0.062 -7.014) 9.429 15.281 ( -8.039 -6.914 6.396) 12.383 15.376 ( -6.333 -5.705 -2.733) 8.951 15.536 ( -1.898 0.542 0.493) 2.035 15.603 ( -1.949 0.174 -4.479) 4.888 15.779 ( -7.762 6.995 0.497) 10.461 15.811 ( -4.329 6.849 -4.716) 9.375 16.107 ( -7.818 -4.297 4.333) 9.917 16.246 ( -5.483 -7.005 -8.971) 12.634 17.110 ( -9.126 5.420 3.103) 11.059 17.188 ( -9.838 7.322 -5.273) 13.349 17.675 ( -15.801 -2.860 10.398) 19.130 17.817 ( -13.240 -2.059 -4.379) 14.096 ======================= Grid point 104 (39/54) ======================= q-point: ( 0.12 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 22.273 10.054 12.424) 27.414 1.573 ( 18.496 18.401 7.196) 27.064 1.803 ( 15.860 5.932 -11.903) 20.698 1.938 ( 16.174 9.550 -10.915) 21.724 2.316 ( 11.525 -6.489 4.703) 14.037 2.449 ( 5.296 -7.413 -4.557) 10.186 2.539 ( 17.352 0.715 6.677) 18.606 2.621 ( 21.990 0.154 -1.969) 22.078 2.786 ( 34.163 0.927 8.787) 35.288 2.873 ( 31.898 -0.693 5.049) 32.302 2.955 ( 30.151 1.661 0.265) 30.198 3.023 ( 12.499 -11.811 -3.164) 17.485 3.129 ( 8.711 -6.902 0.415) 11.122 3.153 ( 15.020 -6.063 -1.103) 16.235 3.203 ( 28.423 -2.072 -0.881) 28.512 3.293 ( 11.026 -4.979 -7.433) 14.199 3.354 ( 4.584 4.725 5.377) 8.500 3.466 ( 13.915 1.041 -2.651) 14.203 3.531 ( 20.154 -1.388 -2.173) 20.319 3.586 ( 14.056 6.262 -5.778) 16.437 3.731 ( 12.349 2.797 0.884) 12.693 3.855 ( 2.892 2.580 -9.501) 10.261 3.961 ( 5.888 6.683 5.474) 10.455 4.046 ( 6.390 3.417 -2.581) 7.692 4.137 ( 5.493 0.234 4.358) 7.016 4.208 ( 5.759 -2.877 0.740) 6.480 4.359 ( 17.950 8.225 2.478) 19.899 4.410 ( 16.892 9.354 -2.367) 19.454 4.500 ( 21.332 1.422 1.759) 21.452 4.576 ( 25.245 2.366 -4.108) 25.686 4.699 ( 16.744 -2.702 3.211) 17.262 4.763 ( 20.216 -2.045 -2.573) 20.481 4.813 ( 23.162 1.247 0.582) 23.203 4.870 ( 22.907 1.205 -2.414) 23.065 5.069 ( 18.990 -3.946 2.126) 19.512 5.114 ( 22.981 -3.948 -2.396) 23.440 5.284 ( 27.313 -5.886 4.417) 28.287 5.342 ( 26.637 -5.175 -0.106) 27.136 5.426 ( 28.799 1.352 3.010) 28.987 5.459 ( 26.977 -0.043 -0.466) 26.981 5.541 ( 16.930 -1.147 6.885) 18.312 5.625 ( 25.836 -2.409 1.919) 26.018 5.730 ( 10.855 -1.942 5.796) 12.458 5.897 ( 5.425 -6.054 -5.740) 9.951 6.018 ( 5.588 -5.225 4.478) 8.864 6.114 ( 4.297 -3.385 -4.845) 7.308 6.226 ( 6.064 -3.240 4.168) 8.040 6.404 ( 3.618 2.544 -10.065) 10.994 6.651 ( 1.285 -2.568 6.020) 6.670 6.745 ( -1.176 1.983 -2.419) 3.342 7.041 ( -3.480 1.587 5.576) 6.762 7.057 ( -2.815 -6.784 2.702) 7.826 7.196 ( -4.299 -1.358 -2.327) 5.074 7.265 ( -5.885 1.493 -5.754) 8.365 7.514 ( -5.096 6.446 6.647) 10.569 7.642 ( -5.812 3.093 -4.896) 8.205 7.719 ( -9.189 10.627 5.325) 15.024 7.850 ( -8.037 4.851 -5.272) 10.766 7.990 ( -4.189 -2.030 1.347) 4.846 8.096 ( -0.148 -2.896 -7.772) 8.295 8.324 ( 30.851 -1.443 2.125) 30.958 8.365 ( 30.298 -3.218 -1.324) 30.497 8.592 ( -5.909 4.211 2.479) 7.667 8.657 ( -9.092 4.646 -3.628) 10.836 8.741 ( -6.062 1.623 2.801) 6.872 8.812 ( -4.226 2.130 -2.939) 5.571 9.009 ( 6.741 -3.957 4.481) 9.010 9.046 ( 22.516 -1.909 0.056) 22.597 9.165 ( 9.873 4.484 2.792) 11.197 9.222 ( -6.490 3.238 -0.502) 7.270 9.533 ( 3.710 0.004 2.430) 4.435 9.571 ( -1.988 1.514 -0.673) 2.588 9.593 ( 2.529 2.384 -1.536) 3.800 9.670 ( 10.735 -1.157 -4.896) 11.855 9.762 ( 1.529 2.483 3.056) 4.224 9.844 ( 6.163 -0.695 -1.882) 6.481 9.939 ( 4.218 3.482 -0.585) 5.501 9.973 ( 8.931 4.046 -2.012) 10.009 10.065 ( 7.769 0.259 1.926) 8.008 10.107 ( 6.059 0.082 -1.426) 6.225 10.191 ( 10.788 -0.682 1.272) 10.885 10.210 ( 9.628 -1.311 0.177) 9.719 10.261 ( 9.304 -1.709 1.142) 9.528 10.299 ( 9.169 -1.474 -1.224) 9.367 10.339 ( 6.807 -1.328 1.539) 7.104 10.383 ( 8.192 0.002 -1.453) 8.320 10.463 ( 13.593 -0.415 2.483) 13.824 10.505 ( 13.391 -0.163 1.062) 13.434 10.537 ( 11.471 0.575 0.712) 11.507 10.570 ( 8.205 0.768 -2.541) 8.624 10.700 ( 10.236 -1.421 0.628) 10.353 10.732 ( 11.542 -0.211 -2.548) 11.822 10.837 ( 12.451 1.841 0.511) 12.597 10.851 ( 11.644 1.709 -0.291) 11.772 10.913 ( 4.806 -1.231 3.852) 6.281 10.999 ( 6.710 -1.842 -2.392) 7.358 11.070 ( 2.808 -1.825 2.795) 4.363 11.129 ( 2.074 0.520 -1.849) 2.826 11.214 ( 2.011 1.135 1.183) 2.595 11.281 ( 3.872 -0.476 -3.642) 5.337 11.372 ( 9.693 -0.143 2.200) 9.941 11.423 ( 7.488 -0.882 -1.694) 7.728 11.607 ( 4.661 -0.761 2.328) 5.265 11.664 ( 7.919 -1.338 -2.128) 8.308 11.748 ( 10.487 1.581 2.831) 10.977 11.823 ( 9.026 1.466 -3.351) 9.739 12.410 ( 0.902 -5.139 2.686) 5.868 12.449 ( 1.084 -4.523 -0.874) 4.733 12.656 ( 1.142 2.114 3.534) 4.274 12.743 ( 0.474 4.365 -4.443) 6.247 13.082 ( 3.647 -2.707 4.378) 6.309 13.145 ( 3.702 -1.160 -1.579) 4.189 13.515 ( -6.527 -0.445 2.135) 6.882 13.652 ( -7.920 -2.174 -10.517) 13.344 14.280 ( -8.829 1.157 4.396) 9.931 14.324 ( -7.742 4.160 -0.524) 8.805 14.384 ( -9.654 2.684 6.930) 12.184 14.499 ( -9.333 2.387 -0.689) 9.657 14.667 ( -10.678 -0.118 -1.619) 10.801 14.741 ( -10.311 0.676 -6.708) 12.320 15.050 ( -15.027 -5.801 6.269) 17.284 15.152 ( -15.844 -6.593 -3.259) 17.468 15.427 ( -12.269 2.073 1.589) 12.544 15.460 ( -11.300 2.003 -1.023) 11.522 15.606 ( -6.856 3.208 5.348) 9.268 15.708 ( -7.706 -0.223 -4.046) 8.706 15.916 ( -10.793 -2.692 5.377) 12.355 16.138 ( -5.195 -7.615 -15.516) 18.048 16.887 ( -13.046 2.465 3.122) 13.639 16.949 ( -13.894 4.430 -3.296) 14.951 17.330 ( -18.724 -0.895 10.828) 21.648 17.495 ( -18.902 -1.997 -5.319) 19.738 ======================= Grid point 105 (40/54) ======================= q-point: ( 0.19 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 21.426 4.819 4.729) 22.465 1.904 ( 14.879 7.883 -1.564) 16.911 2.167 ( 21.773 8.159 3.526) 23.517 2.275 ( 19.440 5.208 -5.936) 20.983 2.527 ( 8.680 -4.582 -0.593) 9.833 2.575 ( 9.688 0.591 -5.378) 11.097 2.813 ( 14.310 -1.828 7.054) 16.058 2.931 ( 11.068 -7.838 -3.157) 13.924 3.131 ( 9.208 -2.803 4.137) 10.477 3.171 ( 5.821 -5.890 0.301) 8.286 3.320 ( 13.388 -5.351 0.742) 14.437 3.353 ( 7.186 -5.380 -0.410) 8.986 3.466 ( 14.687 -1.278 0.749) 14.762 3.524 ( 15.711 -4.671 -1.664) 16.475 3.588 ( 14.548 -3.313 1.539) 15.000 3.635 ( 18.571 5.810 2.232) 19.586 3.702 ( 17.291 -2.328 -3.973) 17.894 3.756 ( 24.360 2.184 -4.697) 24.905 3.909 ( 24.058 2.527 0.397) 24.194 3.962 ( 16.853 3.724 -4.155) 17.752 4.028 ( 16.857 4.613 0.963) 17.503 4.081 ( 15.739 5.926 -2.197) 16.961 4.214 ( 17.904 4.102 1.245) 18.410 4.254 ( 22.024 2.133 -1.088) 22.154 4.300 ( 14.859 -2.143 4.617) 15.706 4.358 ( 13.509 -1.491 0.879) 13.619 4.545 ( 7.879 7.280 4.510) 11.637 4.596 ( 7.730 7.379 -1.963) 10.866 4.727 ( 7.215 0.728 0.689) 7.284 4.805 ( 3.779 1.027 -5.648) 6.873 5.171 ( 17.480 -1.842 4.940) 18.258 5.259 ( 19.462 0.697 -1.969) 19.574 5.389 ( 29.941 0.756 1.554) 29.991 5.441 ( 28.044 1.445 -4.127) 28.382 5.543 ( 24.149 -2.474 3.796) 24.571 5.604 ( 25.215 -0.378 -0.073) 25.218 5.696 ( 16.185 -1.463 2.278) 16.410 5.723 ( 10.107 -0.593 -1.029) 10.177 5.779 ( 18.989 -2.562 -1.131) 19.194 5.831 ( 12.675 -4.498 -0.888) 13.478 5.983 ( 19.295 0.590 1.718) 19.380 6.028 ( 15.123 0.901 -1.739) 15.249 6.182 ( 32.059 -5.678 2.723) 32.672 6.206 ( 30.101 -4.611 -0.175) 30.453 6.369 ( 23.929 -2.247 2.081) 24.124 6.419 ( 20.580 -2.999 -1.564) 20.856 6.603 ( 32.244 -2.670 1.210) 32.377 6.650 ( 23.608 -1.046 -1.218) 23.662 6.777 ( 17.012 1.010 3.935) 17.490 6.848 ( 14.755 1.415 -2.520) 15.036 7.010 ( 1.957 0.854 3.821) 4.377 7.072 ( 5.131 -3.402 -2.281) 6.565 7.165 ( 3.795 -4.085 1.305) 5.726 7.212 ( 0.438 0.400 -1.550) 1.660 7.459 ( -0.145 5.083 3.174) 5.994 7.536 ( -5.634 6.973 1.789) 9.141 7.564 ( -2.480 5.693 -3.641) 7.198 7.652 ( -9.058 4.770 -5.562) 11.651 7.869 ( -6.054 -3.851 3.650) 8.049 7.983 ( -6.660 -5.520 -7.145) 11.220 8.364 ( -9.516 4.015 4.432) 11.239 8.451 ( -9.679 5.863 -2.847) 11.669 8.504 ( -9.859 -0.597 2.664) 10.230 8.592 ( -9.817 1.385 -3.673) 10.572 8.809 ( -10.508 -3.534 5.861) 12.540 8.888 ( -11.537 -0.634 -1.286) 11.626 9.232 ( 33.341 2.554 1.744) 33.484 9.273 ( 37.239 1.422 -1.744) 37.307 9.429 ( -3.574 2.753 1.370) 4.715 9.465 ( 0.868 1.187 -1.892) 2.396 9.594 ( 2.401 -1.048 1.269) 2.911 9.614 ( 2.240 -1.453 -0.732) 2.768 9.666 ( 10.042 1.616 -0.700) 10.195 9.689 ( 19.195 0.964 -3.059) 19.461 9.888 ( 4.967 1.356 -0.025) 5.149 9.913 ( 5.506 1.435 -1.988) 6.027 10.050 ( 1.693 0.410 2.754) 3.258 10.114 ( 4.998 0.291 -1.714) 5.292 10.158 ( 4.894 0.336 2.042) 5.313 10.197 ( 0.889 2.563 -0.368) 2.737 10.268 ( 3.398 3.126 1.634) 4.897 10.309 ( 6.542 2.895 -0.146) 7.155 10.505 ( 10.920 -0.471 0.045) 10.930 10.539 ( 10.579 -0.972 -2.630) 10.944 10.595 ( 12.336 -0.134 -0.411) 12.343 10.604 ( 12.032 0.477 -1.278) 12.109 10.659 ( 8.314 -0.228 4.098) 9.272 10.721 ( 12.589 -0.179 -0.941) 12.626 10.779 ( 9.269 -4.670 1.937) 10.558 10.818 ( 13.573 0.082 -0.392) 13.579 10.856 ( 8.206 -3.659 3.072) 9.496 10.926 ( 7.181 -2.156 -3.717) 8.369 10.977 ( 4.823 -2.253 4.744) 7.130 11.075 ( 6.974 1.346 -1.409) 7.241 11.096 ( 11.778 -0.090 -1.265) 11.846 11.142 ( 9.942 -2.169 -3.041) 10.621 11.194 ( 10.948 0.385 2.563) 11.251 11.262 ( 9.227 -0.442 -2.778) 9.646 11.349 ( 12.201 -0.249 1.989) 12.365 11.394 ( 11.826 -0.034 -1.061) 11.873 11.562 ( 9.513 2.750 1.697) 10.047 11.586 ( 8.215 0.625 -1.696) 8.411 11.737 ( 9.869 0.861 2.142) 10.136 11.791 ( 6.495 -0.104 -3.383) 7.324 12.005 ( 15.082 0.662 3.147) 15.421 12.067 ( 14.127 -0.024 -2.416) 14.332 12.409 ( -0.002 -6.961 3.807) 7.934 12.473 ( 0.896 -3.972 -1.995) 4.535 12.686 ( 2.355 2.770 2.720) 4.541 12.755 ( 1.393 4.911 -3.528) 6.205 13.131 ( 1.495 -2.320 6.112) 6.707 13.229 ( 4.194 1.408 -1.501) 4.672 13.380 ( -6.990 -0.828 -0.211) 7.042 13.489 ( -7.663 -1.613 -9.179) 12.065 14.068 ( -12.486 0.523 4.502) 13.283 14.119 ( -12.398 1.661 -0.212) 12.511 14.195 ( -10.617 2.149 4.427) 11.702 14.290 ( -12.136 2.647 -1.556) 12.518 14.437 ( -12.185 -1.969 1.161) 12.398 14.537 ( -10.258 1.874 -6.114) 12.088 14.736 ( -16.145 -3.204 4.104) 16.963 14.806 ( -18.308 -4.831 -2.000) 19.040 15.140 ( -15.696 4.448 1.121) 16.352 15.181 ( -15.098 5.709 -3.039) 16.425 15.486 ( -7.752 -1.328 3.607) 8.653 15.526 ( -9.756 -0.181 -0.044) 9.757 15.731 ( -7.412 -2.083 9.967) 12.595 16.032 ( -6.106 -7.037 -16.944) 19.336 16.625 ( -13.470 -0.016 3.063) 13.813 16.671 ( -14.227 1.457 -1.618) 14.393 16.967 ( -18.195 -0.393 8.653) 20.152 17.114 ( -19.629 -1.939 -5.145) 20.385 ======================= Grid point 106 (41/54) ======================= q-point: ( 0.25 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 11.857 1.570 3.394) 12.432 2.211 ( 15.935 2.815 -4.270) 16.736 2.590 ( 18.369 1.326 3.025) 18.663 2.660 ( 18.450 2.580 -0.444) 18.635 2.702 ( 11.240 -0.195 0.528) 11.255 2.796 ( 13.325 4.065 -4.072) 14.515 3.092 ( 11.652 -3.286 1.937) 12.261 3.134 ( 12.449 -5.066 -0.861) 13.468 3.287 ( 7.441 -1.566 2.035) 7.871 3.319 ( 10.653 -1.024 -0.119) 10.702 3.493 ( 8.910 0.351 1.587) 9.058 3.546 ( 10.457 -2.841 -2.607) 11.145 3.681 ( 7.820 -1.025 3.392) 8.586 3.729 ( 8.614 -5.503 -0.245) 10.225 3.775 ( 7.711 -0.755 1.242) 7.847 3.868 ( 5.648 -1.389 -4.923) 7.620 3.934 ( 8.535 -0.186 0.355) 8.544 4.013 ( 8.112 1.984 -4.222) 9.358 4.250 ( 11.350 6.833 0.695) 13.266 4.279 ( 9.884 4.457 -1.202) 10.909 4.364 ( 11.969 0.026 6.508) 13.624 4.456 ( 18.753 1.221 0.863) 18.812 4.540 ( 15.784 2.651 1.693) 16.095 4.606 ( 10.864 1.725 -4.486) 11.880 4.699 ( 19.441 2.210 -0.554) 19.574 4.720 ( 18.873 1.953 -1.284) 19.017 4.847 ( 18.873 0.344 1.676) 18.950 4.876 ( 21.745 -1.604 0.180) 21.805 4.909 ( 17.579 0.405 1.748) 17.670 4.994 ( 18.125 -0.379 -5.561) 18.963 5.405 ( 7.286 -1.312 3.462) 8.173 5.446 ( 7.895 -1.266 0.723) 8.028 5.603 ( 1.359 2.807 0.127) 3.121 5.650 ( 1.390 2.243 -0.000) 2.638 5.705 ( -0.181 -2.019 2.329) 3.087 5.794 ( 5.195 -4.696 -5.109) 8.668 5.986 ( 9.352 -1.302 2.114) 9.676 6.038 ( 7.623 -1.249 -2.051) 7.993 6.264 ( 10.578 -0.220 3.002) 10.998 6.310 ( 10.002 0.800 -1.235) 10.110 6.387 ( 35.103 3.397 2.511) 35.356 6.449 ( 33.668 1.756 -2.600) 33.814 6.680 ( 22.425 -1.300 1.681) 22.526 6.712 ( 21.292 0.701 -0.662) 21.314 6.800 ( 20.026 -3.067 1.200) 20.295 6.846 ( 22.163 -2.486 -2.144) 22.404 6.966 ( 6.489 -4.695 4.767) 9.321 7.014 ( 3.728 -2.391 2.027) 4.871 7.113 ( 13.097 0.527 2.611) 13.365 7.177 ( 1.893 -0.395 -2.000) 2.782 7.245 ( 16.797 4.216 0.428) 17.324 7.294 ( 12.701 5.098 -4.097) 14.286 7.486 ( 29.252 -2.233 0.950) 29.353 7.496 ( 18.969 1.611 -0.427) 19.042 7.543 ( 23.903 0.478 0.743) 23.920 7.597 ( 22.083 -2.214 -1.684) 22.258 7.664 ( 12.618 -0.621 0.300) 12.637 7.724 ( 10.057 -1.512 -4.100) 10.966 7.857 ( 10.321 -0.384 1.487) 10.434 7.919 ( 5.118 -2.319 -4.206) 7.019 8.213 ( -3.851 1.388 4.653) 6.197 8.296 ( -6.111 1.046 -2.716) 6.769 8.338 ( -2.607 1.252 3.166) 4.288 8.408 ( -6.204 1.806 -2.887) 7.077 8.591 ( -7.717 -0.313 3.970) 8.684 8.646 ( -9.248 2.596 -1.136) 9.673 9.231 ( -9.667 1.761 3.078) 10.297 9.299 ( -8.490 -0.970 -2.726) 8.969 9.427 ( -9.120 2.485 1.360) 9.550 9.516 ( -7.227 1.056 -7.057) 10.156 9.786 ( 4.442 1.699 3.208) 5.737 9.874 ( 8.435 1.519 -4.644) 9.748 9.938 ( 1.921 0.715 5.342) 5.722 9.990 ( 13.436 -0.314 0.195) 13.441 10.053 ( 7.376 -0.652 0.094) 7.405 10.087 ( 7.916 -0.325 -2.212) 8.226 10.123 ( 9.097 1.673 1.431) 9.359 10.157 ( 11.584 0.912 -0.436) 11.628 10.262 ( 8.622 0.278 4.722) 9.834 10.304 ( 10.520 2.286 -0.170) 10.767 10.358 ( 7.223 4.064 0.500) 8.303 10.447 ( 6.218 2.896 -5.143) 8.573 10.627 ( 2.938 -2.884 0.660) 4.170 10.667 ( 2.914 -1.198 -2.557) 4.057 10.731 ( 2.873 -3.351 2.786) 5.219 10.791 ( 7.106 -4.741 -2.187) 8.818 10.837 ( 9.064 1.890 4.184) 10.160 10.905 ( 7.985 -0.504 1.929) 8.230 10.941 ( 6.036 -1.696 -2.271) 6.669 10.989 ( 8.970 -0.541 -0.595) 9.006 11.049 ( 7.293 -2.947 -1.889) 8.089 11.084 ( 7.760 -2.285 -3.932) 8.995 11.124 ( 10.442 -2.404 3.822) 11.377 11.193 ( 12.665 -1.249 -0.548) 12.738 11.307 ( 7.846 2.744 3.488) 9.014 11.382 ( 7.862 1.384 0.454) 7.996 11.414 ( 10.899 0.640 -1.248) 10.989 11.455 ( 12.524 -2.947 -2.492) 13.105 11.546 ( 8.142 -0.788 4.619) 9.394 11.636 ( 5.930 3.727 -2.648) 7.488 11.776 ( 16.512 2.736 2.637) 16.944 11.839 ( 15.868 0.457 -3.766) 16.315 11.959 ( 12.218 -0.789 0.873) 12.275 11.979 ( 14.760 1.062 -0.766) 14.818 12.281 ( 11.748 -0.570 2.554) 12.036 12.334 ( 13.421 1.463 -2.232) 13.683 12.462 ( 6.385 -5.896 2.966) 9.183 12.515 ( 5.020 -2.994 -1.684) 6.083 12.753 ( 4.543 0.749 1.665) 4.896 12.807 ( 3.918 3.069 -3.525) 6.099 13.122 ( -2.612 -1.736 6.283) 7.023 13.239 ( -5.855 -0.855 -1.687) 6.153 13.290 ( 0.877 -0.231 0.145) 0.919 13.409 ( -0.718 1.022 -7.384) 7.488 13.812 ( -13.400 2.521 3.810) 14.157 13.891 ( -10.829 2.553 -2.222) 11.345 13.952 ( -12.931 -1.912 3.495) 13.531 14.044 ( -12.152 -1.440 -3.755) 12.800 14.216 ( -10.714 -1.928 5.739) 12.307 14.325 ( -12.451 0.776 -4.855) 13.387 14.462 ( -10.922 -2.243 2.955) 11.535 14.510 ( -10.963 0.023 -0.495) 10.974 14.851 ( -13.409 5.904 1.572) 14.735 14.922 ( -11.272 4.698 -5.662) 13.460 15.319 ( -7.980 -0.108 1.985) 8.224 15.346 ( -8.673 2.223 0.801) 8.989 15.625 ( -4.090 -1.876 10.330) 11.267 15.899 ( -7.410 -4.941 -14.822) 17.292 16.374 ( -12.222 -1.323 3.322) 12.735 16.409 ( -12.551 -0.847 -0.480) 12.589 16.636 ( -15.588 -0.129 6.076) 16.731 16.751 ( -17.336 -1.839 -4.350) 17.968 ======================= Grid point 107 (42/54) ======================= q-point: ( 0.31 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.329 ( 9.215 0.316 5.291) 10.630 2.460 ( 9.644 0.358 -6.588) 11.685 2.825 ( 8.736 -0.475 2.311) 9.049 2.871 ( 7.112 -0.655 -1.898) 7.390 3.030 ( 16.566 3.551 3.245) 17.250 3.105 ( 15.509 1.238 -3.445) 15.936 3.279 ( 9.076 -0.495 4.224) 10.023 3.359 ( 8.728 -2.673 -3.293) 9.704 3.483 ( 12.507 -0.424 2.706) 12.803 3.559 ( 13.655 -0.784 -2.933) 13.989 3.701 ( 12.322 1.202 2.387) 12.609 3.762 ( 11.574 -0.366 -2.631) 11.875 3.805 ( 5.376 -0.903 3.132) 6.287 3.859 ( 5.129 -1.302 -1.045) 5.394 3.917 ( 6.891 -0.987 0.874) 7.016 3.958 ( 4.797 -2.342 -3.199) 6.223 4.088 ( 8.475 2.473 3.512) 9.502 4.169 ( 8.266 0.035 -3.791) 9.094 4.386 ( 4.884 1.643 2.076) 5.556 4.436 ( 5.790 1.391 -2.948) 6.645 4.509 ( 5.493 0.731 6.619) 8.632 4.686 ( 3.823 1.669 -7.393) 8.489 4.727 ( 7.606 1.487 7.329) 10.666 4.816 ( 10.180 7.394 0.149) 12.583 4.952 ( 6.225 3.940 -2.639) 7.826 4.971 ( 7.954 -0.732 -6.549) 10.329 5.168 ( 12.709 -5.383 1.761) 13.914 5.244 ( 14.169 -6.669 -4.387) 16.263 5.354 ( 19.334 -3.823 3.340) 19.989 5.396 ( 17.218 -4.838 -0.656) 17.896 5.483 ( 4.609 1.203 5.579) 7.336 5.568 ( 3.460 0.039 -0.301) 3.473 5.620 ( 1.907 4.040 0.706) 4.523 5.677 ( 4.398 3.396 -2.925) 6.279 5.818 ( 10.610 2.783 2.865) 11.337 5.915 ( 6.833 1.065 -4.916) 8.485 6.156 ( 6.368 -2.959 2.287) 7.386 6.177 ( 11.718 -0.101 1.014) 11.762 6.304 ( -2.804 0.791 0.682) 2.992 6.330 ( 2.546 -0.014 -1.365) 2.889 6.756 ( -1.207 1.392 2.722) 3.287 6.806 ( -0.046 -1.490 -1.431) 2.066 6.910 ( 1.103 -1.210 2.507) 2.994 6.931 ( 2.423 -1.241 2.245) 3.528 7.014 ( -2.388 1.357 -1.802) 3.285 7.030 ( 3.119 -0.281 -2.083) 3.761 7.166 ( 11.320 -1.438 4.749) 12.360 7.262 ( 7.646 -1.017 -2.762) 8.193 7.298 ( 22.314 2.646 2.002) 22.559 7.340 ( 16.924 3.556 -1.496) 17.358 7.519 ( 12.637 -3.277 2.089) 13.221 7.597 ( 13.741 -3.520 -5.073) 15.065 7.750 ( 1.064 -0.035 2.159) 2.407 7.794 ( 1.504 -1.516 -2.202) 3.068 7.844 ( 5.398 -1.318 0.372) 5.569 7.884 ( 9.540 -0.323 -3.041) 10.018 8.019 ( 7.620 1.057 2.710) 8.156 8.081 ( 15.760 0.583 -1.752) 15.867 8.112 ( 20.125 0.632 -1.052) 20.163 8.131 ( 20.612 1.778 -2.030) 20.788 8.309 ( 10.948 0.785 2.571) 11.273 8.331 ( 9.337 -0.319 0.469) 9.354 8.461 ( 21.661 1.290 4.780) 22.220 8.569 ( 22.335 0.474 -5.043) 22.902 8.822 ( 30.323 -0.245 2.189) 30.403 8.848 ( 29.648 0.641 -0.427) 29.658 9.047 ( -7.088 -0.060 4.547) 8.421 9.133 ( -6.820 -2.359 -2.458) 7.624 9.261 ( -7.012 5.000 1.097) 8.681 9.361 ( -7.910 4.646 -7.685) 11.967 9.803 ( -1.670 -0.826 6.507) 6.768 9.893 ( -1.981 1.038 -0.383) 2.269 9.980 ( 3.459 2.101 -0.256) 4.055 10.043 ( 0.492 2.071 -2.394) 3.204 10.091 ( 2.267 -0.279 2.004) 3.038 10.166 ( 3.016 -0.126 -3.525) 4.641 10.250 ( 1.941 0.797 4.717) 5.162 10.293 ( 1.730 -0.270 1.003) 2.018 10.386 ( 3.965 0.482 0.607) 4.041 10.428 ( 0.990 -3.472 -0.126) 3.613 10.527 ( 3.128 0.891 -1.516) 3.589 10.561 ( 2.656 3.742 -5.707) 7.323 10.663 ( 0.526 -5.273 1.225) 5.438 10.713 ( 1.003 -8.224 -2.117) 8.551 10.762 ( 2.147 -1.949 6.945) 7.526 10.908 ( 3.692 -1.566 -5.171) 6.544 10.941 ( 1.092 2.039 2.371) 3.312 11.022 ( 2.661 -1.310 -2.289) 3.747 11.065 ( 2.908 -3.003 0.756) 4.247 11.098 ( 5.209 2.378 -2.498) 6.248 11.227 ( 6.298 3.716 0.689) 7.345 11.247 ( 8.411 1.640 -0.883) 8.615 11.354 ( 6.519 -1.828 3.000) 7.406 11.386 ( 2.356 0.034 1.084) 2.593 11.473 ( 8.326 0.397 3.585) 9.074 11.532 ( 11.275 0.847 -0.489) 11.318 11.565 ( 12.097 1.562 -0.969) 12.236 11.612 ( 9.055 1.085 -5.227) 10.511 11.719 ( 12.724 0.372 5.837) 14.004 11.835 ( 14.335 -0.199 -2.584) 14.567 12.114 ( 16.159 -0.357 2.929) 16.427 12.156 ( 17.125 0.741 0.450) 17.147 12.208 ( 10.952 -3.275 -0.268) 11.434 12.283 ( 14.271 2.236 -4.438) 15.112 12.494 ( 11.725 -0.699 5.174) 12.835 12.578 ( 10.810 -2.012 -2.589) 11.297 12.618 ( 7.386 -0.962 0.491) 7.464 12.654 ( 7.492 -1.873 -2.039) 7.987 12.858 ( 5.853 -1.333 0.672) 6.041 12.890 ( 4.002 -0.803 -2.816) 4.959 13.081 ( 0.448 -1.130 4.242) 4.413 13.154 ( -1.310 -2.220 -2.439) 3.549 13.310 ( 0.691 1.354 3.514) 3.829 13.392 ( -1.472 1.569 -3.697) 4.278 13.570 ( -10.747 4.836 3.222) 12.218 13.653 ( -12.120 4.218 -3.313) 13.253 13.790 ( -4.982 -1.610 2.119) 5.648 13.864 ( -5.685 -1.602 -4.007) 7.137 14.027 ( -8.131 -1.361 3.510) 8.961 14.087 ( -10.484 -0.897 -2.745) 10.874 14.305 ( -6.319 -1.053 4.249) 7.687 14.363 ( -4.919 -1.080 -0.969) 5.129 14.631 ( -9.187 4.590 2.833) 10.654 14.731 ( -8.864 0.494 -6.687) 11.114 15.194 ( -5.636 4.404 2.506) 7.579 15.206 ( -4.906 2.247 1.103) 5.508 15.562 ( -2.361 -0.527 6.338) 6.784 15.755 ( -7.050 -2.715 -11.535) 13.789 16.153 ( -10.489 -1.602 4.195) 11.409 16.190 ( -9.839 -2.070 -0.252) 10.058 16.369 ( -11.761 0.001 3.508) 12.274 16.449 ( -13.666 -1.613 -3.390) 14.172 ======================= Grid point 108 (43/54) ======================= q-point: ( 0.38 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.478 ( 6.044 0.238 5.042) 7.874 2.599 ( 4.997 0.156 -5.893) 7.728 2.962 ( 5.482 0.129 1.607) 5.714 2.991 ( 5.427 -0.168 -0.967) 5.515 3.282 ( 9.425 1.458 1.754) 9.697 3.335 ( 7.887 -1.248 -3.072) 8.555 3.445 ( 7.866 1.990 3.303) 8.760 3.501 ( 6.266 -0.651 -1.314) 6.435 3.720 ( 11.051 -0.424 3.307) 11.543 3.811 ( 9.997 -1.384 -3.767) 10.773 3.871 ( 3.368 0.797 1.253) 3.681 3.898 ( 5.409 -0.005 -1.048) 5.510 3.974 ( 9.775 0.578 0.959) 9.839 4.009 ( 9.887 -0.733 -0.950) 9.960 4.055 ( 7.635 -0.696 0.377) 7.676 4.067 ( 6.693 -1.773 -1.149) 7.019 4.273 ( 10.559 1.672 3.622) 11.287 4.341 ( 9.465 0.411 -2.662) 9.840 4.480 ( 5.093 -0.769 1.794) 5.454 4.526 ( 4.050 -0.411 -2.568) 4.813 4.609 ( 4.796 1.649 4.998) 7.120 4.731 ( 1.242 0.334 -4.881) 5.048 4.802 ( 0.528 1.046 5.746) 5.864 4.914 ( 0.468 3.666 -4.495) 5.820 5.023 ( 2.009 1.356 0.391) 2.455 5.066 ( 2.309 -0.883 -3.865) 4.588 5.276 ( -0.171 -6.694 1.763) 6.925 5.340 ( -1.834 -6.646 -3.889) 7.916 5.525 ( 4.407 3.449 3.591) 6.649 5.597 ( 6.666 -2.249 -1.482) 7.189 5.634 ( 5.945 1.924 3.259) 7.048 5.661 ( 4.960 2.402 1.120) 5.624 5.786 ( 10.319 -2.291 0.927) 10.611 5.824 ( 8.101 -2.092 -1.757) 8.550 5.960 ( 3.134 4.995 -0.485) 5.917 6.013 ( 3.645 4.960 -5.349) 8.155 6.259 ( 2.489 -2.258 2.528) 4.205 6.271 ( 1.901 -1.423 1.722) 2.934 6.418 ( 10.582 1.458 3.806) 11.340 6.492 ( 10.722 -1.711 -3.165) 11.310 6.674 ( -3.113 3.478 1.747) 4.983 6.707 ( -5.579 2.336 -0.636) 6.081 6.893 ( -1.050 -1.729 1.796) 2.706 6.938 ( 0.823 -1.092 -1.766) 2.233 7.060 ( 5.197 -0.327 2.050) 5.596 7.088 ( 0.223 -0.279 -0.432) 0.561 7.150 ( -2.735 0.036 0.843) 2.862 7.189 ( -7.817 -2.123 -2.192) 8.392 7.494 ( -8.320 0.749 0.824) 8.394 7.507 ( -6.847 1.249 -0.546) 6.981 7.665 ( 5.267 -0.277 2.674) 5.913 7.713 ( 5.822 -0.373 -0.930) 5.908 7.791 ( 4.042 -2.353 0.434) 4.697 7.850 ( 6.460 1.727 -3.676) 7.631 7.954 ( 5.452 -0.927 -0.681) 5.572 7.987 ( -2.457 0.576 -2.513) 3.561 8.188 ( 15.479 -0.051 4.240) 16.050 8.254 ( 14.333 -0.359 -1.908) 14.464 8.506 ( 6.984 -0.755 1.721) 7.233 8.537 ( 11.794 -1.245 -1.253) 11.926 8.673 ( 23.993 1.748 2.498) 24.186 8.713 ( 23.366 1.098 -1.409) 23.434 8.873 ( 7.086 -0.452 -0.590) 7.125 8.886 ( 12.127 -1.527 -1.109) 12.273 9.055 ( 9.833 0.756 2.793) 10.250 9.109 ( 7.540 0.298 -1.615) 7.717 9.154 ( 5.788 2.920 2.087) 6.811 9.235 ( 0.094 6.957 -4.631) 8.358 9.465 ( 25.835 0.136 0.964) 25.853 9.498 ( 25.728 1.076 -1.771) 25.811 9.759 ( -1.672 0.228 7.081) 7.279 9.863 ( -0.962 0.058 -2.531) 2.708 10.044 ( 3.437 0.427 0.367) 3.483 10.077 ( 2.648 0.939 -0.845) 2.934 10.146 ( 2.716 -0.786 2.436) 3.732 10.232 ( 2.939 -0.997 -2.992) 4.311 10.284 ( 0.976 -0.395 1.292) 1.667 10.299 ( 1.820 -0.051 0.988) 2.072 10.426 ( 1.554 -3.081 1.557) 3.785 10.456 ( 2.734 -1.422 -1.155) 3.291 10.552 ( 0.215 -0.202 -1.891) 1.914 10.561 ( -0.009 1.850 -3.316) 3.797 10.683 ( -0.997 -2.855 0.299) 3.039 10.692 ( 0.489 -3.528 -0.986) 3.696 10.792 ( 0.669 -2.846 5.272) 6.028 10.904 ( -2.775 -1.745 -2.936) 4.401 10.966 ( 1.269 -0.540 0.021) 1.379 11.018 ( -0.740 -0.143 -4.985) 5.041 11.054 ( -4.434 -2.355 4.237) 6.570 11.133 ( -2.915 0.572 -0.218) 2.979 11.234 ( -2.750 2.588 1.841) 4.201 11.313 ( 2.459 3.738 -3.641) 5.769 11.360 ( 2.707 1.111 1.961) 3.523 11.404 ( 1.501 3.108 -0.942) 3.578 11.595 ( 2.567 -2.853 3.301) 5.062 11.671 ( 3.993 -0.462 -3.844) 5.562 11.915 ( 14.186 -0.888 2.402) 14.415 11.949 ( 18.663 0.080 -1.800) 18.750 12.013 ( 13.842 0.513 6.226) 15.186 12.112 ( 14.010 1.249 0.157) 14.066 12.314 ( 6.097 1.346 0.692) 6.282 12.376 ( 5.495 -2.543 -2.289) 6.473 12.443 ( 7.947 -2.719 0.421) 8.410 12.511 ( 9.931 4.224 -5.122) 11.946 12.664 ( 4.633 -0.096 3.376) 5.733 12.705 ( 4.550 0.339 -0.023) 4.563 12.743 ( 8.239 -2.949 1.134) 8.824 12.819 ( 8.689 -3.197 -3.684) 9.965 12.969 ( 6.136 -3.655 -0.364) 7.152 12.977 ( 5.101 -2.638 -1.520) 5.940 13.156 ( 3.988 -0.073 2.124) 4.519 13.196 ( 4.291 -1.096 -1.035) 4.548 13.329 ( 2.231 4.193 3.974) 6.193 13.389 ( 1.660 5.485 -1.416) 5.903 13.415 ( -4.471 2.714 2.197) 5.673 13.481 ( -4.565 2.550 -2.409) 5.757 13.712 ( -3.038 1.752 3.346) 4.847 13.793 ( -2.964 1.063 -2.768) 4.193 13.912 ( -4.133 -0.202 -0.466) 4.164 13.938 ( -4.680 0.379 -3.127) 5.641 14.210 ( -3.434 -2.028 5.528) 6.816 14.296 ( -2.378 -3.737 -2.497) 5.085 14.487 ( -5.801 0.385 2.809) 6.457 14.565 ( -8.287 -3.218 -4.376) 9.908 15.096 ( -4.165 4.924 3.674) 7.422 15.146 ( -1.977 2.294 -1.057) 3.207 15.537 ( -0.095 0.836 2.627) 2.759 15.640 ( -4.464 -0.915 -7.317) 8.620 15.968 ( -8.528 -1.172 5.092) 10.002 16.024 ( -7.342 -2.070 -0.926) 7.684 16.181 ( -7.645 -0.011 1.361) 7.765 16.222 ( -9.586 -1.107 -2.207) 9.898 ======================= Grid point 109 (44/54) ======================= q-point: ( 0.44 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.563 ( 2.780 0.835 4.055) 4.987 2.665 ( 2.047 0.306 -5.276) 5.667 3.041 ( 2.740 0.206 2.048) 3.427 3.079 ( 3.390 -0.022 -1.439) 3.683 3.409 ( 3.963 0.099 0.725) 4.031 3.431 ( 2.723 -1.227 -1.098) 3.182 3.571 ( 4.611 2.241 1.745) 5.416 3.603 ( 4.123 0.619 -0.434) 4.191 3.863 ( 2.416 -0.771 1.592) 2.995 3.883 ( 0.470 -0.844 -0.441) 1.062 3.937 ( 4.716 1.347 3.543) 6.050 4.043 ( 5.901 -0.964 -5.519) 8.137 4.127 ( 6.384 -0.858 1.048) 6.526 4.148 ( 5.200 -0.931 -0.602) 5.317 4.175 ( 4.875 -0.135 0.936) 4.966 4.212 ( 5.359 0.406 -2.141) 5.785 4.478 ( 9.203 0.086 2.188) 9.460 4.520 ( 7.853 1.063 -1.057) 7.995 4.583 ( 5.052 -1.232 1.291) 5.358 4.607 ( 4.467 -1.487 -0.410) 4.726 4.671 ( 0.568 1.154 2.126) 2.485 4.724 ( -1.632 0.301 -1.640) 2.334 4.783 ( -1.487 1.051 4.526) 4.878 4.912 ( -0.253 -0.089 -6.734) 6.740 5.041 ( 1.583 -2.554 2.146) 3.693 5.091 ( 0.426 -0.759 -0.557) 1.034 5.233 ( -2.861 -6.454 1.054) 7.138 5.269 ( -4.743 -5.811 -1.657) 7.681 5.587 ( 1.490 2.536 0.681) 3.019 5.641 ( -0.245 1.657 -3.930) 4.272 5.751 ( 4.920 1.986 3.198) 6.195 5.765 ( 5.234 3.579 2.825) 6.942 5.864 ( 0.871 0.357 -1.611) 1.866 5.903 ( -0.313 0.372 -4.699) 4.725 6.041 ( 4.956 -0.856 2.081) 5.443 6.078 ( 4.036 -0.525 -1.192) 4.241 6.248 ( -3.938 -0.684 3.318) 5.194 6.291 ( -2.025 -0.626 -1.128) 2.401 6.556 ( 2.311 5.252 2.854) 6.409 6.571 ( 3.987 -1.381 1.435) 4.457 6.656 ( -0.314 3.797 0.338) 3.825 6.725 ( 1.955 2.480 -4.904) 5.832 6.905 ( 2.184 0.446 4.594) 5.107 6.963 ( -4.034 -0.067 0.566) 4.074 7.006 ( -1.259 0.628 -0.685) 1.564 7.037 ( -1.829 0.194 -2.566) 3.157 7.166 ( 3.555 0.620 0.957) 3.733 7.198 ( 2.905 -0.214 -1.800) 3.424 7.360 ( -3.369 -0.134 2.260) 4.059 7.407 ( -2.633 -0.707 -2.018) 3.392 7.662 ( -2.905 -1.870 0.393) 3.477 7.674 ( -4.278 -1.504 -0.674) 4.585 7.909 ( 6.828 0.278 1.550) 7.007 7.933 ( 4.778 0.539 -0.670) 4.855 8.034 ( 5.043 2.865 1.663) 6.033 8.111 ( 5.629 -0.153 -5.428) 7.822 8.282 ( -5.981 1.000 0.503) 6.084 8.314 ( -5.852 0.511 -2.048) 6.221 8.591 ( 5.061 -5.345 9.734) 12.204 8.748 ( 8.875 -6.195 -4.626) 11.770 8.943 ( 7.004 -0.945 2.976) 7.668 8.997 ( 7.411 -0.270 -1.992) 7.679 9.032 ( 4.141 5.028 0.036) 6.514 9.068 ( 2.003 4.088 -2.426) 5.158 9.195 ( 10.977 4.168 0.323) 11.746 9.235 ( 13.611 0.664 -2.959) 13.945 9.366 ( 7.621 0.615 1.686) 7.830 9.400 ( 6.809 1.525 -1.226) 7.085 9.722 ( 1.014 -0.026 6.495) 6.573 9.797 ( 7.003 -0.343 0.345) 7.020 9.854 ( 7.336 1.262 -0.899) 7.497 9.866 ( 2.295 -0.048 -2.230) 3.200 10.127 ( 4.146 -0.299 0.644) 4.206 10.129 ( 2.860 -0.663 1.698) 3.392 10.180 ( 1.049 -0.359 0.218) 1.130 10.225 ( -1.575 -2.708 -1.333) 3.405 10.313 ( 1.259 -0.773 0.641) 1.610 10.375 ( 3.300 0.276 -1.713) 3.729 10.494 ( 4.665 -1.037 2.169) 5.248 10.514 ( 1.293 0.830 0.687) 1.683 10.572 ( 3.816 -0.466 -1.664) 4.189 10.599 ( 2.499 -0.327 -2.906) 3.847 10.640 ( -1.016 -0.036 1.953) 2.201 10.724 ( 0.564 -0.222 -4.888) 4.925 10.811 ( 1.998 -2.319 2.092) 3.708 10.850 ( -0.838 -3.399 -1.266) 3.723 10.936 ( -4.755 -1.475 3.004) 5.815 11.007 ( -0.643 -0.502 -2.060) 2.216 11.017 ( 0.526 -0.930 -0.334) 1.119 11.050 ( -1.866 -0.042 -2.286) 2.951 11.206 ( -0.933 1.651 6.828) 7.087 11.328 ( -0.723 2.491 -4.052) 4.811 11.460 ( 6.382 0.146 1.091) 6.476 11.501 ( 7.260 -1.988 -2.662) 7.984 11.621 ( 0.846 -3.076 4.333) 5.380 11.707 ( 0.075 -1.383 -3.850) 4.092 11.984 ( -3.684 -2.052 8.462) 9.455 12.104 ( -2.505 -4.439 -3.622) 6.252 12.257 ( 8.180 5.143 1.567) 9.789 12.294 ( 5.046 1.323 -0.564) 5.247 12.382 ( 2.038 4.253 1.273) 4.885 12.476 ( 3.064 3.263 -5.072) 6.765 12.550 ( 7.803 -0.274 3.592) 8.594 12.648 ( 6.816 3.497 -4.469) 8.869 12.797 ( 4.986 -3.588 2.756) 6.733 12.830 ( 7.285 0.793 1.307) 7.443 12.876 ( 5.154 -2.600 -0.739) 5.820 12.939 ( 3.199 -3.173 -4.375) 6.281 13.057 ( 2.772 -2.444 1.023) 3.835 13.084 ( 4.040 -2.870 -1.443) 5.162 13.176 ( 0.163 1.224 2.973) 3.219 13.257 ( 2.283 2.691 -3.901) 5.260 13.362 ( -0.914 3.565 1.560) 3.997 13.378 ( -0.596 6.734 0.860) 6.815 13.446 ( 4.862 0.055 3.143) 5.789 13.518 ( 5.135 0.002 -2.268) 5.614 13.671 ( -1.954 4.113 4.721) 6.560 13.739 ( -2.002 0.365 -0.627) 2.130 13.852 ( -1.120 -0.318 -1.109) 1.608 13.909 ( 1.127 2.917 -5.070) 5.957 14.162 ( -1.918 -2.907 5.723) 6.699 14.256 ( -1.868 -2.478 -2.862) 4.221 14.393 ( -4.838 -4.520 1.181) 6.725 14.424 ( -4.877 -4.712 -1.680) 6.986 15.032 ( -2.333 3.093 3.853) 5.464 15.115 ( -1.254 0.999 -3.625) 3.963 15.554 ( 1.504 1.146 0.768) 2.041 15.588 ( -0.946 0.341 -2.755) 2.932 15.827 ( -5.660 -0.072 4.975) 7.536 15.903 ( -4.962 -1.381 -2.288) 5.636 16.069 ( -3.987 -0.415 0.239) 4.016 16.081 ( -4.709 -0.331 -0.802) 4.788 ======================= Grid point 110 (45/54) ======================= q-point: (-0.50 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( 0.000 1.142 3.595) 3.771 2.684 ( 0.000 0.342 -5.142) 5.154 3.068 ( 0.000 0.229 2.421) 2.432 3.113 ( 0.000 0.033 -1.819) 1.819 3.446 ( 0.000 -0.169 0.273) 0.321 3.457 ( 0.000 -1.117 -0.552) 1.246 3.616 ( 0.000 2.336 2.085) 3.132 3.647 ( 0.000 0.592 -0.480) 0.762 3.875 ( 0.000 -0.228 0.449) 0.503 3.884 ( 0.000 -0.455 -0.378) 0.592 3.992 ( 0.000 0.556 4.613) 4.646 4.095 ( 0.000 -2.043 -4.300) 4.760 4.192 ( 0.000 0.251 1.057) 1.086 4.218 ( 0.000 0.509 -1.244) 1.344 4.222 ( -0.000 -1.169 0.479) 1.263 4.259 ( 0.000 -0.607 -2.788) 2.853 4.590 ( 0.000 -1.045 1.035) 1.471 4.608 ( -0.000 5.401 2.407) 5.913 4.623 ( 0.000 0.256 -2.109) 2.125 4.638 ( 0.000 0.585 0.330) 0.672 4.675 ( 0.000 -1.603 1.277) 2.050 4.716 ( -0.000 -0.857 -2.219) 2.379 4.761 ( 0.000 -1.558 6.764) 6.941 4.903 ( 0.000 -3.128 -5.330) 6.180 5.082 ( 0.000 -1.048 0.541) 1.180 5.097 ( 0.000 -0.474 0.890) 1.009 5.195 ( 0.000 -7.929 0.201) 7.931 5.201 ( 0.000 -7.639 -0.328) 7.646 5.595 ( 0.000 2.092 -1.042) 2.337 5.633 ( 0.000 3.997 -3.789) 5.508 5.807 ( 0.000 -0.191 3.145) 3.151 5.822 ( -0.000 3.731 2.573) 4.533 5.880 ( -0.000 3.874 -2.705) 4.725 5.882 ( 0.000 -1.066 -3.974) 4.115 6.113 ( -0.000 2.239 3.392) 4.065 6.148 ( 0.000 -3.041 5.072) 5.914 6.187 ( 0.000 0.957 -3.278) 3.415 6.209 ( 0.000 -3.627 -1.099) 3.790 6.598 ( 0.000 7.715 4.810) 9.092 6.619 ( 0.000 0.791 1.609) 1.793 6.669 ( 0.000 1.706 -2.865) 3.335 6.693 ( 0.000 2.214 -3.523) 4.161 6.897 ( 0.000 0.015 1.765) 1.765 6.919 ( 0.000 0.618 0.053) 0.621 7.002 ( 0.000 3.693 2.081) 4.239 7.064 ( 0.000 -0.008 -3.357) 3.357 7.203 ( 0.000 1.499 0.804) 1.701 7.228 ( 0.000 0.782 -1.489) 1.682 7.339 ( 0.000 -1.799 2.388) 2.990 7.388 ( 0.000 -2.493 -2.072) 3.242 7.620 ( 0.000 -1.100 0.201) 1.118 7.629 ( 0.000 -1.501 -0.582) 1.610 8.021 ( 0.000 0.891 0.736) 1.156 8.028 ( 0.000 0.728 0.233) 0.764 8.087 ( 0.000 2.773 2.206) 3.544 8.134 ( -0.000 0.435 2.945) 2.977 8.182 ( -0.000 -0.584 -6.795) 6.820 8.204 ( -0.000 -0.522 -3.403) 3.443 8.642 ( 0.000 -4.853 10.481) 11.550 8.830 ( 0.000 -5.990 -6.697) 8.985 9.019 ( 0.000 -1.015 4.160) 4.282 9.046 ( 0.000 5.423 0.062) 5.423 9.069 ( 0.000 6.088 -2.191) 6.470 9.097 ( -0.000 -1.973 -2.973) 3.568 9.368 ( 0.000 3.537 1.941) 4.034 9.383 ( -0.000 -1.178 2.020) 2.338 9.418 ( 0.000 2.849 -2.606) 3.861 9.435 ( -0.000 -0.846 -2.650) 2.782 9.733 ( 0.000 -0.253 6.782) 6.787 9.849 ( 0.000 -1.045 -3.638) 3.785 9.875 ( -0.000 1.285 2.570) 2.873 9.928 ( 0.000 -0.021 -2.191) 2.191 10.144 ( 0.000 -3.396 2.128) 4.007 10.189 ( 0.000 1.887 0.769) 2.037 10.201 ( -0.000 -3.604 -2.064) 4.153 10.201 ( 0.000 2.123 -0.327) 2.148 10.322 ( 0.000 -0.599 2.286) 2.363 10.402 ( 0.000 0.124 -1.716) 1.720 10.522 ( 0.000 1.289 2.586) 2.889 10.540 ( 0.000 -0.619 0.828) 1.034 10.619 ( 0.000 -1.237 -1.617) 2.036 10.630 ( -0.000 1.120 0.086) 1.123 10.647 ( 0.000 -0.044 -1.208) 1.209 10.714 ( 0.000 -0.622 -8.182) 8.206 10.855 ( 0.000 -0.932 4.522) 4.617 10.865 ( -0.000 -2.607 0.699) 2.699 10.880 ( -0.000 -2.086 -0.569) 2.163 10.963 ( 0.000 -2.779 -4.302) 5.121 11.034 ( 0.000 -0.173 1.117) 1.130 11.057 ( 0.000 0.511 -0.989) 1.113 11.193 ( 0.000 1.416 7.889) 8.015 11.317 ( 0.000 1.808 -3.911) 4.308 11.541 ( -0.000 -3.924 2.714) 4.771 11.609 ( -0.000 -1.930 4.522) 4.916 11.612 ( 0.000 -3.569 -4.184) 5.499 11.711 ( -0.000 -3.827 -4.798) 6.137 11.920 ( 0.000 -0.962 6.958) 7.024 12.025 ( 0.000 -0.400 -3.410) 3.433 12.336 ( -0.000 0.829 5.364) 5.428 12.341 ( 0.000 6.380 3.051) 7.072 12.416 ( -0.000 6.279 -3.793) 7.336 12.482 ( 0.000 4.258 -6.991) 8.186 12.656 ( 0.000 0.671 4.887) 4.933 12.745 ( 0.000 1.415 -3.111) 3.417 12.818 ( 0.000 -3.570 3.147) 4.759 12.917 ( -0.000 -2.201 -6.349) 6.720 12.932 ( 0.000 -1.459 1.806) 2.322 12.965 ( 0.000 -0.423 -1.380) 1.443 13.077 ( 0.000 -1.058 1.503) 1.838 13.108 ( 0.000 -0.307 -1.309) 1.344 13.193 ( 0.000 -3.003 4.007) 5.008 13.312 ( 0.000 -1.061 -6.611) 6.696 13.326 ( 0.000 6.856 2.333) 7.242 13.361 ( 0.000 6.945 -0.545) 6.966 13.517 ( -0.000 0.199 3.051) 3.057 13.578 ( 0.000 -0.193 -2.428) 2.435 13.625 ( 0.000 3.823 5.911) 7.039 13.722 ( 0.000 0.084 -1.931) 1.932 13.859 ( 0.000 0.356 1.278) 1.326 13.940 ( 0.000 3.144 -4.611) 5.581 14.133 ( -0.000 -2.953 5.172) 5.956 14.235 ( -0.000 -0.096 -4.133) 4.134 14.324 ( 0.000 -7.737 3.378) 8.442 14.387 ( 0.000 -5.130 -2.391) 5.660 15.009 ( 0.000 2.099 3.782) 4.325 15.102 ( 0.000 0.080 -4.692) 4.693 15.574 ( 0.000 0.813 0.526) 0.969 15.586 ( 0.000 0.764 -0.534) 0.932 15.766 ( 0.000 0.675 4.378) 4.430 15.849 ( 0.000 -0.801 -3.181) 3.280 16.027 ( 0.000 -0.656 0.476) 0.811 16.039 ( 0.000 -0.022 -0.608) 0.608 ======================= Grid point 119 (46/54) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 0.000 22.395 6.599) 23.347 1.341 ( 0.000 24.108 12.901) 27.343 1.403 ( 0.000 11.042 -5.927) 12.532 1.708 ( 0.000 9.778 -17.075) 19.676 1.727 ( 0.000 -6.405 0.449) 6.420 1.752 ( 0.000 -8.602 -1.345) 8.706 1.858 ( 0.000 -12.723 4.531) 13.506 2.121 ( 0.000 -16.296 -14.844) 22.043 2.233 ( 0.000 -2.095 2.614) 3.350 2.289 ( 0.000 -6.544 -2.472) 6.996 2.445 ( 0.000 17.400 12.259) 21.285 2.521 ( 0.000 16.013 7.113) 17.522 2.744 ( 0.000 5.850 12.308) 13.628 2.759 ( 0.000 -2.733 1.730) 3.235 2.791 ( 0.000 -2.227 -1.198) 2.529 2.928 ( 0.000 3.707 -6.255) 7.271 3.053 ( 0.000 3.516 -5.968) 6.927 3.185 ( 0.000 8.336 -14.371) 16.614 3.416 ( 0.000 -7.408 6.983) 10.181 3.522 ( 0.000 1.378 0.455) 1.451 3.529 ( 0.000 -16.175 1.746) 16.269 3.532 ( 0.000 0.471 -0.487) 0.678 3.688 ( 0.000 -4.814 3.997) 6.257 3.778 ( 0.000 -3.763 -1.572) 4.079 3.793 ( 0.000 1.484 1.344) 2.002 3.823 ( 0.000 1.002 -1.370) 1.697 3.997 ( 0.000 -3.363 -4.110) 5.311 4.014 ( 0.000 -0.547 1.100) 1.229 4.033 ( 0.000 -1.334 -0.654) 1.485 4.123 ( 0.000 -2.734 -9.173) 9.572 4.187 ( 0.000 0.557 1.055) 1.193 4.218 ( 0.000 0.458 -1.783) 1.841 4.220 ( 0.000 -8.843 5.752) 10.549 4.337 ( 0.000 -0.103 -3.471) 3.473 4.657 ( 0.000 0.884 1.685) 1.903 4.690 ( 0.000 0.922 -1.348) 1.633 4.743 ( 0.000 2.125 1.053) 2.371 4.846 ( 0.000 3.625 -6.581) 7.513 4.972 ( 0.000 -0.526 0.545) 0.757 4.984 ( 0.000 -0.534 -0.540) 0.759 5.043 ( 0.000 -2.098 7.506) 7.793 5.084 ( 0.000 0.551 1.711) 1.798 5.695 ( 0.000 -0.908 16.840) 16.864 5.881 ( 0.000 -2.127 -0.223) 2.139 5.938 ( 0.000 0.505 6.635) 6.654 6.028 ( 0.000 -6.514 0.645) 6.545 6.232 ( 0.000 4.204 1.320) 4.406 6.422 ( 0.000 -1.703 -2.856) 3.325 6.645 ( 0.000 0.009 1.845) 1.845 6.847 ( 0.000 -0.653 -8.549) 8.574 7.049 ( 0.000 -3.725 -0.081) 3.726 7.115 ( 0.000 -7.495 -3.382) 8.223 7.266 ( 0.000 0.059 0.333) 0.338 7.274 ( 0.000 0.023 -0.336) 0.336 7.373 ( 0.000 2.567 4.750) 5.399 7.490 ( 0.000 -0.948 -4.586) 4.683 7.710 ( 0.000 -3.646 6.254) 7.239 7.817 ( 0.000 0.392 -2.904) 2.930 8.145 ( 0.000 4.936 0.478) 4.959 8.214 ( 0.000 4.197 -4.766) 6.350 8.271 ( 0.000 -0.117 0.156) 0.195 8.274 ( 0.000 -0.098 -0.160) 0.188 8.355 ( 0.000 2.051 -1.059) 2.308 8.382 ( 0.000 -0.440 -2.820) 2.854 8.895 ( 0.000 1.311 2.493) 2.816 8.945 ( 0.000 -0.002 0.203) 0.203 8.949 ( 0.000 0.411 -0.224) 0.468 8.949 ( 0.000 4.895 -0.557) 4.927 9.085 ( 0.000 -1.932 -0.090) 1.934 9.149 ( 0.000 -6.802 -5.210) 8.568 9.404 ( 0.000 0.682 1.176) 1.360 9.436 ( 0.000 0.534 -1.785) 1.863 9.465 ( 0.000 2.727 13.620) 13.890 9.560 ( 0.000 -0.057 2.062) 2.063 9.600 ( 0.000 -0.144 -1.648) 1.654 9.694 ( 0.000 0.760 -5.154) 5.210 9.756 ( 0.000 -0.557 0.724) 0.913 9.767 ( 0.000 -0.620 -0.365) 0.719 9.836 ( 0.000 1.422 5.686) 5.861 9.936 ( 0.000 0.171 0.098) 0.197 9.942 ( 0.000 0.382 -0.450) 0.591 9.975 ( 0.000 3.603 -0.778) 3.686 10.049 ( 0.000 -3.190 4.878) 5.829 10.071 ( 0.000 0.377 0.424) 0.567 10.080 ( 0.000 -0.483 -0.360) 0.603 10.147 ( 0.000 -4.104 -2.786) 4.960 10.225 ( 0.000 -0.365 -5.028) 5.042 10.278 ( 0.000 -1.232 -5.821) 5.950 10.320 ( 0.000 -0.173 1.137) 1.151 10.346 ( 0.000 0.018 -1.160) 1.160 10.545 ( 0.000 6.528 3.999) 7.655 10.563 ( 0.000 -0.001 1.504) 1.504 10.583 ( 0.000 3.674 1.984) 4.176 10.595 ( 0.000 0.030 -1.418) 1.418 10.832 ( 0.000 3.962 5.155) 6.501 10.938 ( 0.000 2.944 -2.955) 4.172 10.986 ( 0.000 -0.035 0.462) 0.464 10.995 ( 0.000 -0.052 -0.408) 0.412 11.059 ( 0.000 -2.983 2.673) 4.005 11.163 ( 0.000 -9.563 -5.661) 11.113 11.299 ( 0.000 2.397 3.701) 4.409 11.364 ( 0.000 2.145 -1.773) 2.783 11.435 ( 0.000 0.063 0.086) 0.107 11.437 ( 0.000 0.068 -0.087) 0.110 11.628 ( 0.000 3.666 1.747) 4.061 11.687 ( 0.000 -1.026 -3.815) 3.951 12.320 ( 0.000 -3.028 2.347) 3.831 12.358 ( 0.000 -1.821 -1.110) 2.133 12.585 ( 0.000 0.974 6.245) 6.320 12.722 ( 0.000 2.337 -6.575) 6.978 12.968 ( 0.000 0.916 3.258) 3.384 13.005 ( 0.000 -3.381 -0.336) 3.398 13.656 ( 0.000 0.351 1.919) 1.951 13.780 ( 0.000 -0.851 -9.951) 9.988 14.479 ( 0.000 3.116 6.815) 7.493 14.534 ( 0.000 -0.824 5.702) 5.761 14.623 ( 0.000 1.992 -2.304) 3.045 14.710 ( 0.000 -0.711 -5.833) 5.876 14.959 ( 0.000 5.090 1.419) 5.284 15.009 ( 0.000 2.682 -2.444) 3.628 15.243 ( 0.000 -3.261 4.963) 5.938 15.308 ( 0.000 -7.642 -1.119) 7.724 15.619 ( 0.000 3.617 0.098) 3.619 15.654 ( 0.000 0.660 -2.737) 2.815 15.956 ( 0.000 2.472 0.798) 2.598 15.969 ( 0.000 2.635 -0.237) 2.646 16.135 ( 0.000 -0.409 -0.584) 0.713 16.202 ( 0.000 -3.632 -6.607) 7.539 17.312 ( 0.000 3.622 2.989) 4.696 17.399 ( 0.000 2.856 -5.735) 6.407 17.769 ( 0.000 -2.629 8.192) 8.603 17.912 ( 0.000 -1.948 -5.697) 6.021 ======================= Grid point 120 (47/54) ======================= q-point: ( 0.06 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 7.267 21.104 11.565) 25.138 1.595 ( 23.588 20.697 4.487) 31.700 1.695 ( 15.969 6.853 -6.926) 18.707 1.789 ( 15.531 13.804 -13.939) 25.022 1.895 ( 10.440 -12.685 4.817) 17.120 1.995 ( 21.471 -11.470 -0.840) 24.358 2.047 ( 23.607 -5.072 -0.320) 24.148 2.166 ( 7.097 -15.562 -12.200) 21.009 2.448 ( 13.916 2.154 4.980) 14.937 2.470 ( 16.934 4.526 1.972) 17.639 2.536 ( 13.026 0.907 4.946) 13.962 2.579 ( 7.115 -0.710 3.244) 7.852 2.804 ( 9.666 8.567 8.940) 15.708 2.863 ( 9.404 1.585 0.942) 9.583 2.957 ( 7.326 -2.918 -4.497) 9.078 3.000 ( 11.038 -0.609 -3.934) 11.734 3.138 ( 10.806 7.154 -2.550) 13.208 3.255 ( 8.586 9.030 -8.956) 15.345 3.427 ( 3.355 -1.231 6.319) 7.259 3.537 ( 3.132 -8.904 0.828) 9.475 3.665 ( 2.715 -2.549 3.860) 5.363 3.739 ( 5.843 1.769 -2.538) 6.611 3.777 ( 22.082 0.223 1.410) 22.128 3.818 ( 18.228 -7.133 0.470) 19.580 3.927 ( 5.640 0.695 -2.809) 6.339 3.961 ( 7.045 -1.780 -4.064) 8.326 4.100 ( 16.092 -0.842 1.854) 16.221 4.133 ( 5.600 -2.600 2.455) 6.644 4.190 ( 11.751 0.596 -2.283) 11.986 4.224 ( 11.732 -2.201 -4.536) 12.770 4.314 ( 18.871 -0.661 1.621) 18.952 4.339 ( 16.134 -1.991 -0.710) 16.271 4.486 ( 21.981 -0.343 -0.293) 21.986 4.507 ( 22.736 -2.231 -1.873) 22.921 4.721 ( 0.482 1.221 0.276) 1.341 4.799 ( 1.819 4.743 -3.438) 6.134 4.867 ( 16.134 -1.359 0.753) 16.209 4.895 ( 12.931 -0.419 -3.170) 13.321 5.042 ( 4.813 -1.532 6.777) 8.452 5.101 ( 8.751 2.094 -0.181) 9.000 5.159 ( 14.075 -0.795 0.455) 14.105 5.167 ( 15.523 -1.699 0.139) 15.616 5.668 ( -2.067 -0.974 14.343) 14.524 5.828 ( -4.418 -3.537 -2.372) 6.136 5.932 ( -0.484 0.552 5.218) 5.269 6.006 ( -0.851 -6.343 2.085) 6.731 6.216 ( -0.833 4.671 4.225) 6.353 6.410 ( -0.791 -1.970 -0.650) 2.220 6.626 ( -1.304 0.318 0.148) 1.350 6.813 ( -2.956 -0.172 -8.499) 9.000 7.012 ( -3.167 -3.079 -0.824) 4.494 7.067 ( -4.180 -6.856 -3.883) 8.920 7.307 ( -4.923 2.754 5.343) 7.770 7.424 ( -4.650 0.851 -4.616) 6.607 7.552 ( 20.337 -0.927 1.745) 20.433 7.564 ( 26.789 0.096 0.191) 26.790 7.688 ( 2.895 -1.821 4.351) 5.534 7.774 ( -3.316 1.058 -2.398) 4.227 8.076 ( -6.382 5.022 0.695) 8.151 8.133 ( -7.423 3.764 -3.783) 9.142 8.221 ( -8.173 2.724 -0.433) 8.626 8.258 ( -7.484 -0.419 -3.111) 8.116 8.505 ( 19.684 -0.001 0.014) 19.684 8.508 ( 19.492 -0.213 -0.239) 19.495 8.825 ( -5.761 -1.730 3.193) 6.810 8.858 ( -6.275 6.350 0.383) 8.935 8.980 ( -6.535 -1.255 -1.862) 6.910 8.995 ( -5.782 -0.872 -2.563) 6.385 9.218 ( 11.446 0.269 0.463) 11.458 9.244 ( 18.190 -0.998 -1.712) 18.298 9.352 ( -3.911 1.063 8.842) 9.726 9.496 ( -7.695 1.425 -3.842) 8.718 9.571 ( 10.978 0.821 1.341) 11.090 9.604 ( 11.259 -0.360 -1.260) 11.335 9.691 ( 4.666 0.779 0.157) 4.733 9.702 ( 5.456 0.067 -1.128) 5.572 9.833 ( 7.733 0.110 3.761) 8.600 9.860 ( 5.900 -1.845 5.754) 8.445 9.912 ( 5.681 2.510 -2.126) 6.565 9.958 ( 4.271 -1.766 0.711) 4.676 9.984 ( 9.212 0.722 0.462) 9.252 10.055 ( 5.659 0.363 -3.231) 6.526 10.114 ( 4.980 -1.300 1.916) 5.492 10.141 ( 1.501 -0.106 -1.885) 2.412 10.174 ( 8.655 0.182 -0.405) 8.667 10.187 ( 10.407 -0.612 -0.889) 10.463 10.223 ( 4.054 -3.021 -2.897) 5.827 10.270 ( 1.128 -2.744 -4.201) 5.143 10.448 ( 9.582 0.401 0.803) 9.623 10.465 ( 8.617 0.259 -0.749) 8.653 10.561 ( 2.383 5.333 3.611) 6.867 10.590 ( 2.926 3.072 1.754) 4.591 10.659 ( 8.083 0.285 1.817) 8.290 10.686 ( 8.037 0.180 -0.376) 8.048 10.857 ( 2.942 3.983 3.205) 5.899 10.935 ( 0.034 2.007 -1.805) 2.700 10.982 ( 0.629 -3.202 0.235) 3.272 11.034 ( 2.401 -4.213 -2.212) 5.329 11.143 ( 6.702 -0.728 2.400) 7.156 11.214 ( 5.261 -3.230 -3.667) 7.180 11.287 ( 0.024 2.218 3.171) 3.869 11.341 ( -0.826 0.848 -0.599) 1.326 11.480 ( 4.452 0.152 -0.328) 4.466 11.505 ( 5.786 -0.033 -2.897) 6.470 11.665 ( 3.684 3.149 2.739) 5.567 11.724 ( 3.442 -1.658 -2.799) 4.736 12.326 ( 0.378 -2.884 2.782) 4.025 12.367 ( 0.898 -1.663 -1.086) 2.179 12.627 ( 3.610 0.645 5.302) 6.447 12.751 ( 2.490 1.262 -6.411) 6.993 12.991 ( 2.329 0.511 3.880) 4.554 13.030 ( 2.816 -2.847 -0.231) 4.011 13.617 ( -3.973 0.174 1.583) 4.280 13.735 ( -4.525 -1.211 -9.762) 10.828 14.437 ( -4.764 1.937 7.667) 9.232 14.495 ( -3.650 0.052 5.441) 6.552 14.589 ( -3.804 3.353 -3.310) 6.055 14.651 ( -5.507 -1.210 -4.927) 7.488 14.889 ( -6.990 4.448 0.999) 8.345 14.939 ( -7.162 1.857 -2.758) 7.896 15.169 ( -7.664 -3.093 5.075) 9.698 15.238 ( -7.281 -7.560 -1.319) 10.579 15.578 ( -4.034 2.434 0.600) 4.749 15.607 ( -4.827 -0.396 -1.405) 5.042 15.875 ( -8.273 3.028 0.887) 8.854 15.889 ( -7.585 1.494 -0.601) 7.754 16.059 ( -7.246 -0.677 -0.161) 7.280 16.143 ( -5.545 -3.350 -7.630) 10.009 17.196 ( -11.086 2.842 3.445) 11.952 17.284 ( -11.007 2.759 -5.531) 12.624 17.629 ( -13.168 -1.580 9.056) 16.059 17.778 ( -12.840 -1.492 -5.468) 14.035 ======================= Grid point 121 (48/54) ======================= q-point: ( 0.12 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 14.941 14.403 9.104) 22.662 1.842 ( 8.635 5.605 -6.840) 12.360 2.007 ( 15.485 4.918 2.173) 16.392 2.074 ( 15.032 10.992 -3.201) 18.895 2.233 ( 11.796 -2.648 -2.526) 12.350 2.327 ( 18.101 2.128 -8.673) 20.184 2.491 ( 17.486 -13.008 2.133) 21.898 2.532 ( 18.133 -5.209 -0.065) 18.866 2.683 ( 16.170 -5.591 6.349) 18.249 2.731 ( 12.074 -9.670 3.763) 15.920 2.953 ( 28.065 0.588 1.135) 28.095 2.996 ( 24.637 -0.249 -2.931) 24.812 3.053 ( 17.107 0.554 1.853) 17.216 3.123 ( 12.641 1.481 -4.730) 13.578 3.195 ( 20.280 -1.478 -1.475) 20.387 3.251 ( 21.250 1.619 -6.292) 22.221 3.438 ( 9.520 3.834 5.916) 11.847 3.472 ( 15.039 -0.112 1.324) 15.097 3.606 ( 16.810 10.056 6.445) 20.621 3.724 ( 14.675 4.515 -3.972) 15.860 3.779 ( 11.710 1.418 -2.049) 11.972 3.833 ( 9.770 -5.983 -1.737) 11.588 4.001 ( 6.411 0.874 0.116) 6.471 4.060 ( 6.016 -2.516 -2.472) 6.973 4.135 ( 6.163 -0.447 1.899) 6.465 4.157 ( 3.948 -1.058 3.458) 5.354 4.441 ( 32.858 1.168 1.845) 32.930 4.481 ( 26.190 0.529 -2.642) 26.328 4.637 ( 10.326 2.156 0.332) 10.554 4.654 ( 24.517 2.083 -1.405) 24.646 4.689 ( 20.996 6.869 4.365) 22.518 4.760 ( 17.896 2.417 -0.245) 18.060 4.806 ( 23.557 -1.258 0.308) 23.593 4.882 ( 17.722 0.699 -6.558) 18.909 4.991 ( 19.897 -3.457 -0.269) 20.196 5.055 ( 27.041 -1.636 -5.273) 27.599 5.163 ( 26.771 -3.762 1.071) 27.055 5.217 ( 26.513 -7.462 -2.190) 27.630 5.440 ( 23.580 1.411 4.352) 24.020 5.469 ( 27.861 0.043 0.899) 27.876 5.537 ( 20.645 -0.827 3.547) 20.964 5.575 ( 19.600 -1.723 1.397) 19.725 5.705 ( 15.237 -0.485 2.247) 15.409 5.778 ( 4.344 -5.045 -4.300) 7.925 5.944 ( 3.952 -2.186 5.356) 7.006 6.048 ( 5.492 -2.519 -1.543) 6.236 6.256 ( 7.254 6.224 10.562) 14.245 6.421 ( 3.227 -4.329 5.163) 7.471 6.630 ( 2.999 1.983 -3.426) 4.967 6.760 ( -1.420 -0.063 -7.544) 7.677 6.946 ( -3.042 -3.544 -1.007) 4.778 6.991 ( -2.496 -4.991 -4.883) 7.415 7.205 ( -4.663 2.782 6.024) 8.111 7.313 ( -5.675 1.274 -3.680) 6.883 7.570 ( -3.729 -0.913 5.740) 6.906 7.669 ( -4.914 1.359 -2.271) 5.581 7.897 ( -9.882 6.244 1.495) 11.784 7.942 ( -9.835 3.134 -3.048) 10.763 8.013 ( -6.796 3.896 -0.502) 7.850 8.067 ( -7.221 -1.015 -5.080) 8.887 8.293 ( 34.463 -1.498 1.344) 34.522 8.312 ( 34.585 -2.024 -0.188) 34.644 8.669 ( -8.040 1.191 1.866) 8.340 8.698 ( -7.028 4.135 0.558) 8.174 8.774 ( -7.629 -0.207 -1.040) 7.703 8.821 ( -4.305 -1.273 -3.181) 5.502 8.954 ( 7.797 -1.393 4.918) 9.323 9.022 ( 21.250 -0.611 -1.690) 21.326 9.238 ( 9.068 2.709 2.496) 9.787 9.278 ( -4.313 1.931 0.245) 4.732 9.534 ( 7.488 0.292 1.293) 7.604 9.573 ( 3.512 -1.217 -3.193) 4.900 9.634 ( 1.029 1.512 -0.160) 1.836 9.672 ( -2.364 1.003 -2.523) 3.599 9.797 ( 4.832 1.143 2.384) 5.508 9.820 ( 7.115 -1.446 1.060) 7.338 9.999 ( 4.869 2.496 1.139) 5.589 10.037 ( 5.944 -0.551 -0.067) 5.970 10.058 ( 9.658 2.740 -0.262) 10.042 10.111 ( 13.448 -0.915 -1.727) 13.590 10.180 ( 6.578 0.154 0.266) 6.585 10.212 ( 11.651 -0.141 -1.322) 11.727 10.253 ( 9.002 1.060 0.820) 9.101 10.273 ( 9.687 -0.794 -0.290) 9.724 10.317 ( 12.593 -0.049 0.390) 12.599 10.362 ( 11.668 -2.279 -3.100) 12.286 10.457 ( 16.287 -0.140 0.941) 16.315 10.488 ( 15.965 -1.326 -1.355) 16.078 10.564 ( 3.870 1.651 2.571) 4.931 10.596 ( 4.468 1.795 -0.145) 4.817 10.675 ( 7.906 -0.924 2.428) 8.322 10.724 ( 9.022 -0.805 -1.874) 9.250 10.855 ( 6.486 -0.715 4.069) 7.690 10.868 ( 12.502 0.779 2.111) 12.703 10.924 ( 5.551 2.320 -0.979) 6.095 10.962 ( 4.199 -1.928 -2.344) 5.181 11.052 ( 6.656 0.478 -0.210) 6.676 11.096 ( 5.336 -3.511 -3.220) 7.153 11.247 ( 2.073 2.078 2.588) 3.914 11.272 ( 2.126 -0.489 1.566) 2.686 11.375 ( 7.727 -0.162 0.422) 7.740 11.406 ( 9.510 -0.438 -2.777) 9.917 11.606 ( 7.573 0.462 0.224) 7.591 11.648 ( 8.202 -0.565 -3.944) 9.119 11.780 ( 8.860 1.725 2.852) 9.466 11.823 ( 7.859 -1.295 -0.969) 8.024 12.326 ( -0.468 -2.819 3.832) 4.780 12.389 ( 1.145 -1.805 -1.887) 2.851 12.692 ( 2.587 1.374 4.054) 5.001 12.793 ( 1.481 1.015 -5.628) 5.907 13.051 ( 3.628 -0.439 5.892) 6.933 13.123 ( 6.404 -0.893 -1.075) 6.555 13.510 ( -6.668 -0.030 0.175) 6.670 13.608 ( -8.263 -1.841 -8.947) 12.317 14.284 ( -10.570 -0.194 7.758) 13.113 14.391 ( -8.495 2.054 0.683) 8.767 14.453 ( -8.680 3.460 0.700) 9.371 14.530 ( -7.560 0.368 -2.799) 8.070 14.697 ( -12.572 3.380 0.044) 13.019 14.748 ( -11.307 -0.707 -4.036) 12.026 14.956 ( -13.560 -2.834 4.789) 14.658 15.029 ( -13.800 -5.472 -1.746) 14.948 15.458 ( -9.407 1.160 1.686) 9.627 15.476 ( -7.954 -0.092 0.271) 7.959 15.660 ( -12.441 1.913 2.763) 12.887 15.707 ( -10.138 0.063 -0.867) 10.175 15.885 ( -9.721 -0.387 0.684) 9.753 16.015 ( -6.914 -4.409 -10.033) 12.958 16.928 ( -15.346 1.422 4.000) 15.922 17.011 ( -16.067 1.889 -4.129) 16.697 17.316 ( -17.841 -0.436 8.380) 19.716 17.459 ( -18.899 -1.353 -5.151) 19.635 ======================= Grid point 122 (49/54) ======================= q-point: ( 0.19 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.918 ( 14.339 5.131 5.012) 16.033 2.032 ( 11.253 4.808 -4.094) 12.904 2.312 ( 15.665 2.769 -0.770) 15.926 2.367 ( 15.277 -0.490 -5.392) 16.208 2.482 ( 15.076 9.364 6.414) 18.871 2.617 ( 12.502 1.494 -4.850) 13.493 2.758 ( 12.498 -8.351 2.783) 15.287 2.816 ( 13.574 0.904 -2.156) 13.774 2.943 ( 13.791 -8.805 5.588) 17.290 3.042 ( 14.736 -10.736 -3.589) 18.582 3.222 ( 9.331 -1.901 0.009) 9.522 3.298 ( 11.070 -1.689 -6.208) 12.804 3.449 ( 14.421 -1.867 2.792) 14.807 3.502 ( 14.263 3.547 0.830) 14.721 3.575 ( 12.818 0.104 4.078) 13.451 3.677 ( 11.207 0.691 -4.185) 11.983 3.765 ( 26.128 4.200 1.394) 26.500 3.809 ( 27.100 0.422 -1.559) 27.148 3.923 ( 14.516 2.291 0.625) 14.709 3.985 ( 12.148 -0.876 -3.809) 12.762 4.113 ( 20.316 3.254 2.652) 20.745 4.161 ( 17.943 1.296 -0.376) 17.993 4.207 ( 14.306 -1.452 1.545) 14.462 4.247 ( 15.477 -1.842 -0.090) 15.586 4.326 ( 18.469 3.166 3.528) 19.068 4.360 ( 18.547 0.073 0.311) 18.550 4.668 ( 4.503 2.475 1.319) 5.305 4.705 ( 2.554 5.773 4.944) 8.019 4.776 ( 8.619 -0.345 -4.207) 9.597 4.836 ( 3.083 4.779 -5.396) 7.840 5.171 ( 15.392 2.105 3.754) 15.982 5.259 ( 19.786 -0.381 -4.012) 20.192 5.366 ( 23.378 -3.993 2.377) 23.836 5.441 ( 27.680 -0.918 -2.741) 27.830 5.539 ( 25.768 1.268 2.824) 25.953 5.580 ( 18.684 -2.405 0.881) 18.858 5.606 ( 13.844 -2.893 -1.548) 14.227 5.638 ( 22.202 -4.393 -3.282) 22.869 5.785 ( 24.521 1.047 -0.426) 24.547 5.815 ( 28.136 -0.426 -2.577) 28.257 6.004 ( 20.604 0.973 4.410) 21.093 6.048 ( 22.116 0.669 -1.249) 22.161 6.100 ( 25.441 -2.022 2.657) 25.659 6.139 ( 21.308 -1.437 -0.574) 21.365 6.326 ( 25.424 -1.475 2.614) 25.600 6.355 ( 25.263 -3.105 -0.165) 25.453 6.579 ( 29.906 0.007 6.141) 30.530 6.649 ( 24.266 -0.137 3.456) 24.512 6.789 ( 12.862 1.754 -1.140) 13.031 6.845 ( 10.934 -2.535 -3.979) 11.908 6.969 ( 11.499 -2.217 0.208) 11.712 7.026 ( 8.900 -2.093 -4.545) 10.210 7.149 ( -0.291 1.630 4.358) 4.662 7.222 ( -3.283 -0.014 -2.419) 4.078 7.541 ( 2.210 2.808 3.419) 4.945 7.606 ( -0.104 0.981 -1.168) 1.529 7.691 ( -9.632 5.483 0.616) 11.100 7.724 ( -11.211 2.319 -3.213) 11.890 7.835 ( -9.078 0.111 -0.064) 9.079 7.889 ( -8.915 -3.773 -4.782) 10.797 8.415 ( -10.077 0.381 4.120) 10.894 8.501 ( -10.256 1.798 -2.524) 10.714 8.539 ( -10.097 2.095 1.688) 10.450 8.612 ( -8.878 0.611 -3.191) 9.453 8.749 ( -7.764 -2.281 7.219) 10.844 8.875 ( -6.122 -0.561 -3.981) 7.324 9.278 ( 29.940 1.728 1.152) 30.012 9.293 ( 38.049 0.513 -0.250) 38.054 9.479 ( -4.630 1.454 -0.008) 4.853 9.484 ( -3.597 1.196 -0.523) 3.826 9.575 ( 6.735 -0.975 0.430) 6.818 9.588 ( -3.064 -0.901 -1.068) 3.368 9.693 ( 19.633 0.918 -0.979) 19.679 9.706 ( 13.837 0.772 -2.740) 14.127 9.898 ( 2.869 0.066 0.883) 3.003 9.940 ( 6.776 0.935 -0.982) 6.910 10.082 ( 3.494 2.121 2.674) 4.884 10.146 ( 3.182 0.790 1.076) 3.451 10.152 ( 1.539 0.661 0.880) 1.892 10.233 ( 3.341 1.356 -4.116) 5.472 10.343 ( 7.845 3.011 3.618) 9.148 10.363 ( 10.619 3.000 -0.518) 11.047 10.480 ( 8.060 -2.551 0.041) 8.454 10.498 ( 7.698 -2.875 -1.355) 8.328 10.588 ( 6.537 1.049 0.846) 6.674 10.611 ( 10.005 0.091 -1.177) 10.075 10.681 ( 12.394 -0.115 0.956) 12.431 10.694 ( 9.993 -0.675 0.543) 10.030 10.723 ( 9.404 -1.272 0.315) 9.495 10.762 ( 10.137 -3.401 -0.446) 10.702 10.833 ( 8.506 -0.533 2.369) 8.846 10.885 ( 7.525 -0.462 -0.821) 7.584 10.947 ( 7.899 -0.902 3.749) 8.790 11.031 ( 8.067 -3.867 -4.564) 10.043 11.132 ( 8.635 3.034 -0.908) 9.197 11.153 ( 12.509 1.608 -1.990) 12.768 11.211 ( 11.184 0.573 1.884) 11.356 11.247 ( 6.935 -0.875 -0.397) 7.002 11.334 ( 9.186 -0.656 2.418) 9.521 11.371 ( 13.599 -1.731 -0.501) 13.718 11.594 ( 11.643 0.435 -0.694) 11.672 11.611 ( 10.951 1.267 -2.365) 11.275 11.760 ( 9.803 1.463 1.228) 9.988 11.784 ( 7.036 -0.586 -1.548) 7.228 12.027 ( 15.473 1.794 2.282) 15.743 12.059 ( 15.363 -1.094 -0.472) 15.409 12.308 ( -0.918 -3.120 4.691) 5.708 12.403 ( 0.227 -2.665 -3.673) 4.544 12.728 ( 1.437 1.461 3.147) 3.755 12.813 ( 0.857 1.292 -5.070) 5.302 13.121 ( 3.224 0.732 8.901) 9.496 13.244 ( 4.603 0.076 -0.617) 4.645 13.378 ( -6.365 1.122 -3.958) 7.579 13.439 ( -7.636 -3.184 -7.636) 11.259 14.049 ( -13.027 -1.281 6.930) 14.811 14.153 ( -13.964 1.400 -2.758) 14.303 14.274 ( -12.259 4.663 2.435) 13.340 14.328 ( -12.816 0.239 -1.826) 12.947 14.416 ( -14.342 0.020 3.908) 14.865 14.546 ( -10.195 -0.637 -6.387) 12.048 14.676 ( -14.368 -2.561 3.237) 14.949 14.739 ( -14.194 -1.717 -2.039) 14.442 15.223 ( -13.956 3.538 1.964) 14.531 15.263 ( -13.931 2.261 -2.227) 14.288 15.453 ( -8.388 -1.737 6.182) 10.563 15.535 ( -7.277 0.881 1.162) 7.422 15.712 ( -7.491 0.643 1.580) 7.683 15.888 ( -6.071 -6.711 -11.483) 14.620 16.628 ( -15.073 0.175 3.865) 15.561 16.691 ( -16.352 0.545 -1.957) 16.478 16.965 ( -17.775 0.106 5.891) 18.726 17.078 ( -19.611 -1.407 -4.393) 20.146 ======================= Grid point 123 (50/54) ======================= q-point: ( 0.25 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( 10.246 0.900 4.353) 11.168 2.266 ( 11.743 2.204 -5.945) 13.345 2.595 ( 13.320 -0.381 2.559) 13.569 2.666 ( 13.780 -0.164 -4.331) 14.446 2.791 ( 15.874 6.096 3.460) 17.353 2.857 ( 13.431 1.464 -1.921) 13.647 3.014 ( 13.991 -1.796 3.517) 14.538 3.087 ( 13.256 -3.360 -2.176) 13.847 3.215 ( 14.226 -0.253 2.926) 14.526 3.291 ( 11.462 -4.899 -2.603) 12.734 3.431 ( 12.774 -2.768 1.184) 13.124 3.515 ( 11.361 -2.635 -4.916) 12.657 3.649 ( 8.616 -1.087 3.407) 9.329 3.702 ( 8.476 3.369 1.052) 9.182 3.762 ( 7.081 -1.494 -0.660) 7.267 3.839 ( 6.183 -1.542 -6.890) 9.385 4.001 ( 6.324 6.088 3.222) 9.351 4.060 ( 5.074 0.965 -1.522) 5.384 4.283 ( 11.695 -1.586 5.408) 12.982 4.298 ( 11.978 -2.528 5.421) 13.389 4.458 ( 12.671 7.481 2.216) 14.880 4.500 ( 18.089 4.345 -0.036) 18.603 4.554 ( 18.690 -0.579 -0.328) 18.701 4.633 ( 20.608 -2.176 -5.727) 21.499 4.713 ( 14.564 1.379 0.414) 14.635 4.746 ( 16.536 -0.589 -1.543) 16.618 4.826 ( 17.605 -0.169 0.084) 17.606 4.872 ( 9.441 0.591 -3.737) 10.171 4.912 ( 13.570 -0.946 3.044) 13.940 5.018 ( 13.222 2.084 -5.324) 14.405 5.370 ( 9.574 -1.720 4.677) 10.793 5.423 ( 5.992 -1.161 -1.044) 6.192 5.599 ( 2.941 -0.616 3.695) 4.763 5.633 ( 6.430 -3.242 0.931) 7.261 5.738 ( 8.136 3.134 -2.169) 8.985 5.772 ( 6.917 1.105 -5.090) 8.659 5.980 ( 6.385 0.887 2.060) 6.767 6.021 ( 6.332 -0.655 -1.971) 6.664 6.252 ( 8.852 -1.166 3.951) 9.764 6.298 ( 10.208 -1.116 -0.343) 10.275 6.449 ( 31.612 2.648 1.471) 31.756 6.487 ( 32.013 1.264 -1.128) 32.057 6.658 ( 26.680 0.873 4.611) 27.090 6.714 ( 25.941 -2.701 2.049) 26.162 6.763 ( 21.768 0.304 -2.402) 21.902 6.793 ( 26.359 -2.428 -3.157) 26.658 6.891 ( 7.516 -2.633 3.728) 8.793 6.958 ( 6.291 -2.336 -2.627) 7.206 7.131 ( 4.098 0.906 3.013) 5.167 7.171 ( 0.758 -0.411 -0.158) 0.877 7.334 ( 26.432 4.659 1.163) 26.865 7.373 ( 27.077 2.156 -2.510) 27.278 7.436 ( 23.501 -2.120 0.159) 23.597 7.479 ( 22.125 -2.478 -1.959) 22.350 7.565 ( 9.365 1.261 1.372) 9.549 7.597 ( 12.898 1.700 -1.181) 13.063 7.666 ( -0.280 0.280 -0.136) 0.419 7.695 ( 4.432 -1.589 -2.376) 5.273 7.845 ( 18.828 -0.424 -0.273) 18.835 7.864 ( 15.803 -2.487 -1.811) 16.099 8.242 ( -5.310 0.850 3.632) 6.489 8.312 ( -7.753 0.870 -2.274) 8.127 8.360 ( -6.181 0.708 3.126) 6.963 8.428 ( -7.894 0.305 -2.707) 8.350 8.593 ( -3.270 0.343 5.061) 6.035 8.686 ( -7.570 1.299 -2.994) 8.243 9.265 ( -10.758 1.519 0.946) 10.906 9.288 ( -10.616 -0.500 -1.014) 10.676 9.463 ( -6.695 1.112 0.824) 6.836 9.528 ( -4.116 0.247 -5.198) 6.635 9.822 ( 2.491 1.418 1.860) 3.417 9.907 ( 5.911 1.534 -5.691) 8.347 9.949 ( 9.917 0.336 3.224) 10.434 9.993 ( 10.010 0.082 -0.128) 10.011 10.063 ( 14.206 1.349 1.694) 14.370 10.097 ( 10.931 1.482 -1.444) 11.126 10.145 ( 2.658 0.510 1.129) 2.933 10.159 ( 6.217 -0.265 -0.159) 6.225 10.256 ( 8.895 -0.802 5.340) 10.406 10.349 ( 7.550 2.189 -2.792) 8.342 10.455 ( 3.465 1.824 2.461) 4.625 10.488 ( 4.088 4.101 -0.203) 5.794 10.545 ( 1.845 -3.863 -0.078) 4.281 10.599 ( 3.386 -4.926 -1.898) 6.272 10.686 ( 2.811 -1.801 1.845) 3.815 10.733 ( 6.240 -0.936 -2.908) 6.948 10.865 ( 8.579 1.433 2.489) 9.047 10.904 ( 9.938 -0.964 -0.206) 9.986 10.912 ( 8.485 -0.745 1.676) 8.681 10.973 ( 8.941 -2.714 -1.690) 9.495 10.988 ( 9.705 0.444 0.403) 9.724 11.043 ( 10.472 -2.255 -0.121) 10.713 11.139 ( 7.634 1.972 -1.513) 8.028 11.176 ( 11.983 -0.705 -2.053) 12.178 11.317 ( 8.365 -0.773 4.208) 9.396 11.391 ( 10.196 0.906 -0.284) 10.241 11.412 ( 11.299 -0.891 -2.091) 11.525 11.421 ( 11.575 -0.583 -2.554) 11.868 11.555 ( 10.472 0.942 6.321) 12.268 11.692 ( 7.871 0.724 -7.304) 10.762 11.794 ( 16.716 0.039 2.304) 16.874 11.839 ( 13.593 -0.301 -2.279) 13.786 11.962 ( 10.885 1.815 4.391) 11.877 12.028 ( 15.236 2.428 -1.231) 15.477 12.272 ( 8.726 -1.036 5.781) 10.519 12.355 ( 7.255 1.229 -1.183) 7.453 12.377 ( 14.525 -1.517 0.277) 14.607 12.434 ( 6.569 -5.238 -3.639) 9.156 12.762 ( 2.255 0.175 2.122) 3.101 12.832 ( 1.174 0.153 -4.868) 5.010 13.152 ( -0.590 3.780 7.137) 8.098 13.229 ( -5.258 -0.693 0.348) 5.314 13.280 ( -1.383 -0.851 -0.991) 1.902 13.400 ( 1.047 -1.110 -8.680) 8.813 13.808 ( -10.851 -1.982 6.658) 12.884 13.908 ( -9.935 1.023 -0.762) 10.016 13.998 ( -14.285 2.919 -1.256) 14.635 14.028 ( -15.436 0.300 -3.114) 15.750 14.188 ( -10.932 -1.065 6.119) 12.573 14.296 ( -15.007 -2.329 -4.023) 15.711 14.437 ( -9.299 -0.478 4.038) 10.149 14.537 ( -7.381 1.640 -5.112) 9.127 14.944 ( -14.149 3.217 1.166) 14.557 14.978 ( -14.671 1.085 -2.253) 14.882 15.322 ( -5.175 0.374 6.416) 8.251 15.410 ( -5.959 3.109 1.612) 6.912 15.606 ( -3.476 1.077 1.917) 4.113 15.777 ( -5.412 -6.899 -10.808) 13.918 16.355 ( -12.870 -0.560 3.336) 13.307 16.391 ( -14.185 -0.727 0.021) 14.203 16.640 ( -15.388 0.403 3.356) 15.755 16.716 ( -17.260 -1.445 -3.316) 17.635 ======================= Grid point 124 (51/54) ======================= q-point: ( 0.31 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 8.655 0.163 5.296) 10.148 2.466 ( 8.729 0.234 -6.746) 11.035 2.819 ( 9.513 -0.124 2.067) 9.736 2.864 ( 7.494 -0.156 -1.981) 7.753 3.096 ( 14.545 2.629 0.923) 14.809 3.126 ( 12.763 0.722 -1.914) 12.925 3.271 ( 11.631 0.325 3.168) 12.059 3.307 ( 9.792 -2.880 0.219) 10.209 3.487 ( 13.151 0.759 3.295) 13.579 3.537 ( 14.350 -1.262 -0.631) 14.419 3.692 ( 12.723 -0.739 -1.384) 12.819 3.731 ( 10.035 -1.994 -3.287) 10.746 3.814 ( 8.427 -0.317 0.276) 8.438 3.848 ( 7.969 0.711 -1.015) 8.065 3.896 ( 6.804 -0.673 0.498) 6.855 3.935 ( 4.304 -0.187 -3.861) 5.785 4.129 ( 7.749 1.722 4.654) 9.202 4.178 ( 7.168 0.815 -0.428) 7.227 4.393 ( 3.060 -1.038 4.256) 5.343 4.442 ( 4.806 -0.274 0.957) 4.908 4.605 ( 4.704 6.257 4.084) 8.829 4.736 ( 3.416 2.693 -5.493) 7.007 4.764 ( 7.672 3.545 3.276) 9.064 4.922 ( 9.518 3.304 -3.241) 10.583 4.963 ( 4.627 -0.581 -2.944) 5.514 5.000 ( 2.622 -0.874 -2.007) 3.416 5.040 ( 12.223 -4.404 -1.047) 13.034 5.089 ( 12.114 -8.034 -4.638) 15.258 5.280 ( 17.110 -1.697 1.677) 17.276 5.314 ( 17.711 -4.095 -1.213) 18.219 5.534 ( 6.728 2.289 5.314) 8.874 5.560 ( 6.554 0.312 3.692) 7.529 5.727 ( 7.508 5.361 -0.057) 9.226 5.789 ( 6.752 6.486 -4.126) 10.231 5.879 ( 8.968 3.183 2.386) 9.811 5.925 ( 11.544 -0.034 -1.513) 11.643 6.046 ( 2.932 -4.923 1.969) 6.059 6.114 ( 5.764 -7.234 -3.982) 10.070 6.311 ( 1.996 1.157 4.811) 5.335 6.377 ( 2.394 2.181 -0.877) 3.355 6.727 ( 0.997 -2.169 2.665) 3.578 6.806 ( 1.184 0.133 -4.169) 4.336 6.909 ( -1.629 1.111 2.676) 3.324 6.923 ( -0.133 -0.164 1.563) 1.577 7.019 ( 7.112 -0.168 -0.153) 7.116 7.043 ( -0.079 0.542 -1.527) 1.623 7.142 ( 8.839 -0.842 4.731) 10.061 7.236 ( 5.259 -1.269 -3.107) 6.239 7.339 ( 22.945 1.402 2.058) 23.080 7.391 ( 18.648 1.494 -1.706) 18.785 7.506 ( 9.137 1.719 0.449) 9.308 7.546 ( 9.710 -2.046 -3.459) 10.508 7.701 ( 3.743 -2.516 0.182) 4.514 7.727 ( 5.439 -3.766 -2.622) 7.116 7.855 ( 8.120 1.287 3.354) 8.879 7.902 ( 9.872 0.610 -0.506) 9.904 8.058 ( 9.712 2.515 0.576) 10.048 8.094 ( 5.810 0.474 -2.757) 6.448 8.111 ( 23.917 -0.408 0.334) 23.923 8.143 ( 22.520 -0.421 -1.972) 22.610 8.313 ( 10.696 -0.027 1.716) 10.832 8.328 ( 10.677 -0.145 0.622) 10.696 8.490 ( 23.520 1.395 3.640) 23.841 8.572 ( 23.271 -0.147 -3.370) 23.514 8.822 ( 26.530 0.182 2.603) 26.658 8.856 ( 26.445 0.188 -0.782) 26.457 9.053 ( -8.072 0.795 1.769) 8.302 9.092 ( -7.431 -1.892 -2.025) 7.931 9.344 ( -4.691 2.986 1.736) 5.826 9.440 ( -4.241 2.694 -7.125) 8.718 9.815 ( -1.733 1.443 4.281) 4.838 9.896 ( -2.557 -0.033 -3.123) 4.036 10.038 ( 1.816 2.972 1.785) 3.914 10.060 ( 0.985 -0.045 1.202) 1.555 10.104 ( 0.841 1.153 0.487) 1.508 10.166 ( 2.543 0.293 -3.087) 4.010 10.257 ( 2.079 -0.781 3.999) 4.575 10.293 ( 2.433 -0.645 1.402) 2.881 10.359 ( -0.563 0.305 2.943) 3.012 10.404 ( 0.088 -0.986 -2.380) 2.577 10.482 ( 1.416 -5.845 -0.067) 6.015 10.556 ( 0.277 -1.004 -1.977) 2.234 10.582 ( 0.623 -1.804 1.264) 2.289 10.666 ( 2.266 -0.678 0.224) 2.376 10.761 ( 4.350 3.397 0.944) 5.600 10.877 ( 3.863 -2.467 -5.826) 7.413 10.945 ( -0.667 0.072 0.261) 0.720 10.992 ( 1.051 -1.777 -4.003) 4.504 11.049 ( 2.942 -0.027 4.790) 5.622 11.114 ( 6.902 0.081 -0.070) 6.903 11.233 ( 12.434 -1.184 2.067) 12.660 11.292 ( 10.407 2.093 -0.645) 10.635 11.348 ( 11.303 1.223 0.651) 11.388 11.390 ( 2.437 -0.692 0.420) 2.567 11.473 ( 5.623 1.728 0.053) 5.882 11.536 ( 9.753 -2.397 -3.275) 10.563 11.604 ( 11.612 2.012 0.966) 11.824 11.638 ( 11.817 1.666 -3.375) 12.402 11.755 ( 12.488 3.123 4.144) 13.523 11.825 ( 11.903 -1.677 -1.620) 12.130 12.078 ( 10.894 -2.343 2.879) 11.509 12.128 ( 13.750 -1.499 -2.174) 14.001 12.210 ( 14.505 1.624 6.149) 15.838 12.330 ( 15.489 1.997 -4.017) 16.125 12.481 ( 9.415 -0.269 3.150) 9.932 12.510 ( 13.091 -3.204 1.032) 13.517 12.603 ( 6.716 -2.832 -1.484) 7.438 12.620 ( 8.630 -0.031 -3.190) 9.201 12.823 ( 4.040 -1.502 1.007) 4.426 12.865 ( 2.682 -0.920 -3.146) 4.235 13.138 ( 0.585 4.899 1.307) 5.104 13.153 ( -1.229 1.677 -0.834) 2.240 13.284 ( 0.640 -3.857 3.589) 5.307 13.388 ( -1.479 -0.843 -6.295) 6.521 13.641 ( -6.952 1.467 6.789) 9.827 13.737 ( -10.052 3.809 0.920) 10.789 13.796 ( -4.223 2.277 -1.183) 4.941 13.838 ( -2.946 -1.251 -3.435) 4.695 13.991 ( -8.555 -1.713 1.509) 8.855 14.024 ( -11.577 -3.990 -1.455) 12.332 14.297 ( -5.851 -0.155 4.866) 7.611 14.408 ( -6.467 3.710 -5.027) 8.992 14.688 ( -12.066 1.413 0.396) 12.155 14.707 ( -12.966 -2.169 -1.647) 13.249 15.244 ( -3.192 1.941 4.800) 6.083 15.297 ( -5.725 4.123 1.652) 7.246 15.566 ( -0.987 1.564 0.774) 2.005 15.679 ( -4.537 -4.805 -8.379) 10.671 16.130 ( -10.313 -0.360 3.044) 10.759 16.149 ( -10.497 -1.938 0.984) 10.720 16.375 ( -11.762 0.529 1.377) 11.854 16.417 ( -13.383 -1.430 -2.211) 13.639 ======================= Grid point 125 (52/54) ======================= q-point: ( 0.38 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.483 ( 6.445 0.155 4.927) 8.114 2.602 ( 5.147 0.084 -5.852) 7.794 2.964 ( 5.634 0.099 1.187) 5.758 2.988 ( 5.595 -0.079 -0.961) 5.678 3.311 ( 7.577 1.204 -0.114) 7.673 3.325 ( 7.442 -0.008 -1.451) 7.582 3.466 ( 8.606 0.432 2.256) 8.907 3.482 ( 7.936 -1.104 1.036) 8.079 3.716 ( 10.055 -0.161 3.946) 10.803 3.801 ( 9.511 0.304 -3.174) 10.031 3.864 ( 7.301 -0.990 0.552) 7.388 3.878 ( 5.898 -1.215 -0.788) 6.073 3.996 ( 6.813 0.482 -0.962) 6.898 4.006 ( 6.478 0.394 -1.958) 6.779 4.044 ( 9.117 0.144 -0.121) 9.119 4.053 ( 10.219 -0.152 -0.575) 10.237 4.301 ( 9.299 1.133 4.380) 10.341 4.332 ( 8.682 -0.700 0.738) 8.741 4.455 ( 3.899 -1.613 2.074) 4.702 4.523 ( 3.938 -0.015 -3.191) 5.069 4.689 ( 3.673 5.273 2.880) 7.042 4.765 ( 0.364 2.253 -4.093) 4.686 4.832 ( 0.254 2.490 5.240) 5.807 4.947 ( -2.149 -0.100 -3.658) 4.244 4.991 ( -1.469 -4.214 -0.349) 4.476 5.060 ( 1.836 -0.794 -6.719) 7.011 5.150 ( 0.717 -4.367 2.781) 5.227 5.216 ( 0.904 -4.451 -3.302) 5.615 5.554 ( 9.762 0.514 1.793) 9.939 5.599 ( 9.157 -0.959 -1.544) 9.336 5.674 ( 9.275 3.312 4.056) 10.651 5.700 ( 7.790 0.130 2.679) 8.239 5.798 ( 1.320 3.087 1.889) 3.852 5.838 ( 1.199 3.326 -2.384) 4.264 6.025 ( 0.356 2.241 1.742) 2.861 6.086 ( 3.098 1.466 -3.844) 5.150 6.179 ( 7.243 -4.458 0.843) 8.547 6.204 ( 6.377 -4.589 -1.288) 7.962 6.435 ( 8.058 0.336 2.697) 8.504 6.473 ( 7.152 0.134 -0.433) 7.166 6.735 ( 2.044 1.919 1.800) 3.332 6.771 ( -1.193 3.483 -1.450) 3.957 6.869 ( -0.233 -1.110 1.331) 1.748 6.915 ( -0.727 -0.832 -2.552) 2.781 7.052 ( 3.191 -0.325 2.376) 3.991 7.091 ( 0.542 0.559 -0.953) 1.230 7.139 ( -4.098 -1.194 1.247) 4.447 7.164 ( -4.177 -0.399 -0.763) 4.264 7.504 ( -7.377 0.432 0.712) 7.424 7.517 ( -5.888 -0.245 -0.453) 5.911 7.650 ( 0.602 -0.289 0.787) 1.032 7.689 ( 1.964 -1.895 -2.397) 3.632 7.794 ( 9.166 1.419 1.616) 9.415 7.859 ( 10.633 -0.425 -4.875) 11.705 7.949 ( 4.097 0.273 1.673) 4.433 7.990 ( 0.052 -0.132 -1.612) 1.618 8.187 ( 14.671 -0.093 4.874) 15.459 8.260 ( 13.811 0.786 -1.936) 13.969 8.501 ( 4.764 0.294 0.886) 4.855 8.515 ( 7.771 -1.009 -0.290) 7.841 8.699 ( 20.188 1.000 1.413) 20.262 8.720 ( 23.497 -0.344 -0.790) 23.513 8.843 ( 6.048 -1.935 0.460) 6.367 8.878 ( 12.134 0.380 -3.059) 12.519 9.053 ( 16.088 -0.046 1.636) 16.171 9.109 ( 12.316 -0.305 -3.534) 12.817 9.230 ( 2.888 3.253 5.978) 7.394 9.346 ( 6.526 3.208 -3.956) 8.278 9.489 ( 21.361 2.176 -0.384) 21.475 9.525 ( 24.277 1.388 -2.408) 24.435 9.774 ( -1.973 1.489 4.561) 5.188 9.846 ( -2.228 -1.758 -2.585) 3.839 10.062 ( 1.869 1.447 2.822) 3.681 10.088 ( 1.734 -0.239 2.157) 2.778 10.127 ( 1.365 -0.869 -0.638) 1.739 10.197 ( -0.221 -1.957 -4.569) 4.975 10.288 ( 1.481 1.651 5.449) 5.883 10.331 ( 1.281 0.731 2.692) 3.070 10.354 ( 2.977 -1.802 3.395) 4.861 10.424 ( 4.365 -2.801 -2.576) 5.791 10.503 ( 0.785 -2.906 -2.043) 3.638 10.553 ( 0.204 -2.821 -3.892) 4.811 10.614 ( 2.603 -0.756 2.854) 3.936 10.685 ( -0.266 0.336 -2.400) 2.438 10.799 ( 0.339 2.667 0.451) 2.726 10.874 ( -2.701 -1.498 -4.572) 5.518 10.928 ( -0.370 -2.571 1.946) 3.246 11.007 ( 0.056 -0.271 -4.193) 4.202 11.040 ( -2.019 -0.072 4.181) 4.644 11.139 ( -4.566 0.095 -2.581) 5.246 11.284 ( -3.691 2.338 4.939) 6.595 11.351 ( 0.158 0.257 -0.919) 0.967 11.399 ( 2.110 1.956 -1.767) 3.377 11.421 ( 1.116 -0.678 -2.700) 2.999 11.603 ( 4.599 2.915 2.873) 6.156 11.662 ( 3.349 -0.667 -2.015) 3.964 11.897 ( 10.383 -0.102 2.045) 10.583 11.937 ( 10.886 -1.651 -0.161) 11.012 12.039 ( 17.137 1.391 3.714) 17.590 12.123 ( 16.693 -0.003 -1.267) 16.741 12.263 ( 8.760 -3.738 3.517) 10.153 12.347 ( 8.973 -0.933 -4.780) 10.210 12.439 ( 8.047 1.884 7.154) 10.931 12.596 ( 10.599 3.814 -5.316) 12.456 12.628 ( 6.556 -1.800 2.764) 7.339 12.703 ( 5.400 -3.119 -3.658) 7.229 12.725 ( 6.898 1.306 0.239) 7.024 12.763 ( 8.396 -2.067 -2.872) 9.111 12.916 ( 5.523 -1.479 0.789) 5.772 12.938 ( 4.255 -1.205 -0.982) 4.530 13.190 ( 3.559 2.339 0.117) 4.260 13.195 ( 4.798 1.471 0.231) 5.024 13.306 ( 1.984 -3.508 2.690) 4.846 13.400 ( 3.204 -1.190 -5.469) 6.450 13.533 ( -3.477 5.247 4.359) 7.656 13.593 ( -4.913 6.382 -1.456) 8.185 13.763 ( -1.804 3.042 2.667) 4.430 13.792 ( -3.266 -0.849 0.178) 3.380 13.853 ( -3.241 -4.859 2.217) 6.247 13.932 ( 0.814 -1.221 -4.210) 4.459 14.198 ( -4.256 -0.563 3.999) 5.867 14.284 ( -5.835 3.383 -3.225) 7.476 14.471 ( -10.362 -3.737 0.075) 11.016 14.488 ( -9.318 -2.022 -1.425) 9.640 15.180 ( -4.378 2.566 2.231) 5.543 15.192 ( -4.272 2.275 1.171) 4.980 15.561 ( 0.401 1.697 -0.182) 1.753 15.610 ( -2.349 -2.129 -4.704) 5.672 15.953 ( -7.805 -0.100 3.280) 8.467 15.983 ( -6.899 -1.941 0.282) 7.172 16.184 ( -7.949 0.448 0.165) 7.963 16.200 ( -8.885 -1.156 -1.181) 9.037 ======================= Grid point 126 (53/54) ======================= q-point: ( 0.44 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.578 ( 3.311 0.552 3.664) 4.969 2.670 ( 2.097 0.160 -4.691) 5.141 3.045 ( 2.786 0.152 1.584) 3.208 3.079 ( 3.493 0.010 -1.452) 3.782 3.411 ( 3.115 0.199 0.462) 3.155 3.423 ( 3.052 0.009 -0.547) 3.101 3.590 ( 4.182 -0.091 1.212) 4.355 3.608 ( 4.653 0.078 -0.262) 4.661 3.851 ( 3.392 -0.469 1.191) 3.626 3.867 ( 0.655 -0.627 -0.513) 1.042 3.967 ( 4.703 1.241 2.682) 5.555 4.038 ( 4.554 0.591 -3.336) 5.676 4.107 ( 7.809 -0.785 1.311) 7.957 4.130 ( 5.600 -0.766 -0.468) 5.671 4.187 ( 4.228 0.719 1.245) 4.466 4.222 ( 5.294 0.312 -1.722) 5.575 4.473 ( 8.074 0.271 2.787) 8.545 4.503 ( 7.921 -2.107 1.930) 8.421 4.546 ( 5.075 -1.943 -0.753) 5.486 4.600 ( 3.571 0.412 -3.882) 5.291 4.725 ( -0.194 3.193 2.040) 3.794 4.754 ( -0.893 2.178 0.026) 2.354 4.814 ( -1.972 2.258 2.318) 3.790 4.892 ( -3.330 -1.787 -4.756) 6.074 4.981 ( 1.657 -3.250 1.227) 3.848 5.054 ( -0.864 -3.301 -4.118) 5.348 5.125 ( -2.600 -2.723 2.813) 4.699 5.171 ( -4.675 -3.477 -1.886) 6.124 5.639 ( 1.104 2.478 1.908) 3.317 5.695 ( 1.713 2.252 -1.681) 3.291 5.788 ( 1.970 1.845 2.199) 3.482 5.824 ( 3.095 0.671 0.565) 3.216 5.865 ( 4.433 0.354 0.450) 4.470 5.906 ( 5.542 1.775 -1.701) 6.063 6.019 ( 1.700 -0.939 2.859) 3.457 6.073 ( -0.016 -1.774 -2.008) 2.679 6.235 ( -3.010 -0.082 0.661) 3.082 6.263 ( -1.765 -1.736 -1.914) 3.130 6.560 ( 6.027 0.256 2.332) 6.467 6.600 ( 6.006 0.477 -0.701) 6.065 6.752 ( -0.975 4.488 1.150) 4.735 6.784 ( -1.160 2.400 -2.374) 3.570 6.914 ( 2.379 0.671 2.568) 3.564 6.940 ( -0.052 -1.981 0.316) 2.007 7.024 ( 0.307 0.368 0.413) 0.633 7.042 ( -0.531 0.548 -0.894) 1.175 7.175 ( 4.682 0.292 0.210) 4.696 7.194 ( 3.678 -0.037 -1.647) 4.030 7.358 ( -5.314 -0.131 1.679) 5.574 7.396 ( -5.046 -0.330 -1.829) 5.378 7.629 ( -2.124 -1.219 0.424) 2.485 7.649 ( -3.872 -0.808 -1.288) 4.160 7.920 ( 6.884 0.649 1.244) 7.026 7.938 ( 4.293 0.019 -0.372) 4.309 8.079 ( 5.586 1.729 -0.839) 5.907 8.104 ( 5.751 -0.616 -3.538) 6.780 8.311 ( -7.769 1.518 0.635) 7.941 8.327 ( -6.790 0.825 -0.778) 6.884 8.504 ( 5.504 -2.971 8.858) 10.844 8.644 ( 7.240 -4.028 -3.998) 9.199 8.927 ( 7.209 -0.458 1.794) 7.443 8.965 ( 9.117 -1.674 -1.562) 9.400 9.123 ( 7.580 2.450 -0.290) 7.971 9.132 ( 3.453 2.643 -0.671) 4.400 9.229 ( 11.575 0.198 0.519) 11.588 9.270 ( 9.028 1.542 -3.197) 9.701 9.398 ( 7.523 1.907 2.141) 8.051 9.457 ( 4.615 3.871 -3.322) 6.878 9.726 ( -0.064 0.719 4.668) 4.724 9.789 ( 2.534 -1.013 -1.192) 2.978 9.850 ( 5.787 -1.060 0.276) 5.890 9.868 ( 7.085 0.009 -0.934) 7.146 10.098 ( 0.461 -1.051 1.938) 2.252 10.128 ( 1.591 -1.242 0.076) 2.020 10.167 ( 3.450 -0.246 0.119) 3.460 10.198 ( 1.941 -0.107 -1.905) 2.721 10.300 ( 0.756 -0.446 7.107) 7.161 10.364 ( 1.577 -0.879 2.341) 2.956 10.480 ( 7.083 -0.149 1.374) 7.216 10.526 ( 2.001 -1.927 -1.923) 3.379 10.553 ( 5.056 1.705 -1.303) 5.493 10.586 ( 4.353 -0.899 -4.033) 6.001 10.643 ( -0.504 0.494 0.083) 0.710 10.688 ( 1.637 -3.593 -3.611) 5.350 10.795 ( 0.016 0.447 1.042) 1.134 10.831 ( -0.910 1.254 -2.824) 3.221 10.895 ( -2.727 -2.289 1.723) 3.956 10.985 ( -4.504 -0.754 -4.277) 6.257 11.024 ( -0.345 0.744 0.989) 1.285 11.044 ( 0.233 -0.604 -0.527) 0.835 11.231 ( -1.865 0.560 6.545) 6.829 11.341 ( -1.249 -0.447 -4.979) 5.152 11.470 ( 3.967 0.397 -0.322) 4.000 11.478 ( 5.182 -0.269 -1.075) 5.300 11.624 ( -1.345 2.483 3.039) 4.149 11.678 ( -1.209 -1.477 -2.083) 2.825 11.944 ( -2.491 -1.402 6.044) 6.686 12.018 ( -0.334 -3.813 -1.880) 4.265 12.292 ( 6.473 -0.141 5.988) 8.819 12.369 ( 8.179 4.932 1.310) 9.641 12.431 ( 7.034 -1.041 -0.015) 7.111 12.494 ( 5.434 0.707 -6.460) 8.471 12.577 ( 7.776 2.071 5.018) 9.484 12.706 ( 4.107 1.355 -6.131) 7.503 12.770 ( 4.389 1.298 1.043) 4.694 12.821 ( 5.171 -2.990 -3.544) 6.945 12.858 ( 5.808 1.259 1.034) 6.032 12.888 ( 5.372 -1.556 -1.994) 5.938 13.016 ( 4.627 -1.373 1.667) 5.106 13.028 ( 4.747 -2.417 0.640) 5.365 13.204 ( -2.337 1.501 0.978) 2.944 13.274 ( 2.062 0.012 -5.070) 5.474 13.391 ( 6.295 -0.406 4.649) 7.837 13.485 ( 1.989 1.925 -2.194) 3.532 13.499 ( 0.784 2.773 0.538) 2.932 13.533 ( -0.747 4.451 -1.372) 4.717 13.708 ( -2.975 -1.331 1.229) 3.484 13.741 ( -2.318 -0.872 -1.625) 2.962 13.855 ( 2.233 3.157 6.893) 7.903 13.979 ( 3.518 1.624 -2.648) 4.693 14.136 ( -2.063 -0.255 2.773) 3.465 14.197 ( -3.341 -0.586 -0.296) 3.405 14.302 ( -6.502 -7.119 -1.132) 9.707 14.330 ( -7.051 -2.220 -2.596) 7.835 15.091 ( -3.720 2.627 1.991) 4.970 15.126 ( -2.813 -0.178 -1.176) 3.054 15.577 ( 0.985 1.092 -0.125) 1.476 15.590 ( 0.153 -0.248 -1.514) 1.542 15.831 ( -4.669 0.429 2.983) 5.557 15.875 ( -4.123 -1.303 -1.114) 4.465 16.061 ( -4.538 -0.369 0.425) 4.573 16.077 ( -3.971 -0.126 -0.942) 4.083 ======================= Grid point 127 (54/54) ======================= q-point: (-0.50 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.610 ( 0.000 0.773 2.989) 3.088 2.690 ( 0.000 0.150 -4.244) 4.246 3.073 ( 0.000 0.181 1.966) 1.974 3.115 ( 0.000 0.061 -1.808) 1.809 3.441 ( 0.000 0.105 0.590) 0.600 3.452 ( 0.000 -0.119 -0.209) 0.240 3.631 ( 0.000 0.073 0.999) 1.002 3.654 ( 0.000 -0.267 -0.787) 0.831 3.869 ( 0.000 -0.341 0.465) 0.576 3.878 ( 0.000 -0.206 -0.355) 0.410 4.019 ( 0.000 1.478 3.254) 3.574 4.074 ( 0.000 0.144 -1.712) 1.718 4.202 ( 0.000 0.567 0.991) 1.142 4.209 ( -0.000 -0.354 1.487) 1.529 4.226 ( -0.000 0.170 -1.036) 1.050 4.248 ( 0.000 -0.553 -2.088) 2.160 4.578 ( 0.000 -0.178 2.944) 2.949 4.585 ( 0.000 -1.806 0.628) 1.912 4.617 ( -0.000 -3.448 -1.970) 3.972 4.623 ( 0.000 -0.303 -1.134) 1.174 4.729 ( 0.000 5.420 2.442) 5.945 4.737 ( 0.000 -0.609 4.419) 4.461 4.781 ( 0.000 3.933 -2.450) 4.634 4.843 ( 0.000 -2.432 -5.789) 6.279 5.052 ( -0.000 -5.897 0.799) 5.950 5.057 ( 0.000 -6.073 0.386) 6.085 5.066 ( 0.000 -0.452 -0.738) 0.866 5.083 ( -0.000 -0.700 -0.506) 0.864 5.645 ( 0.000 2.529 1.078) 2.749 5.702 ( 0.000 2.113 -2.450) 3.235 5.815 ( 0.000 1.563 2.033) 2.564 5.860 ( -0.000 -1.491 -1.480) 2.101 5.889 ( 0.000 2.535 2.681) 3.689 5.945 ( 0.000 2.316 -2.318) 3.276 6.100 ( 0.000 -1.342 2.458) 2.801 6.136 ( -0.000 -3.459 -1.024) 3.607 6.142 ( 0.000 0.652 1.958) 2.063 6.190 ( 0.000 -0.394 -2.324) 2.357 6.636 ( 0.000 0.731 1.561) 1.724 6.695 ( 0.000 0.802 -3.857) 3.940 6.717 ( -0.000 3.483 2.304) 4.176 6.736 ( 0.000 2.160 0.628) 2.249 6.909 ( 0.000 1.063 1.896) 2.174 6.924 ( 0.000 -0.184 0.645) 0.670 7.050 ( 0.000 0.038 0.267) 0.269 7.081 ( 0.000 2.309 -2.417) 3.343 7.229 ( 0.000 0.989 0.293) 1.032 7.242 ( 0.000 0.537 -0.961) 1.101 7.308 ( 0.000 -1.106 1.423) 1.802 7.344 ( 0.000 -1.677 -1.772) 2.439 7.600 ( 0.000 -0.959 -0.207) 0.981 7.602 ( 0.000 -0.773 -0.374) 0.859 8.038 ( 0.000 0.746 0.722) 1.038 8.045 ( 0.000 0.676 0.221) 0.711 8.136 ( -0.000 2.095 -0.680) 2.202 8.144 ( 0.000 0.452 2.248) 2.293 8.168 ( 0.000 -1.035 -3.905) 4.040 8.192 ( -0.000 -0.522 -2.179) 2.241 8.569 ( 0.000 -2.036 8.999) 9.227 8.720 ( 0.000 -4.440 -4.742) 6.496 9.002 ( 0.000 -0.580 3.294) 3.344 9.061 ( 0.000 -1.423 -1.928) 2.396 9.144 ( 0.000 3.989 0.443) 4.013 9.170 ( 0.000 3.142 -2.321) 3.906 9.368 ( 0.000 -0.364 1.636) 1.676 9.418 ( 0.000 -0.666 -2.736) 2.816 9.447 ( 0.000 3.322 0.234) 3.330 9.475 ( -0.000 3.211 -2.578) 4.118 9.727 ( 0.000 0.118 4.977) 4.978 9.802 ( 0.000 -3.761 -2.251) 4.383 9.902 ( 0.000 1.430 1.098) 1.803 9.922 ( 0.000 -0.664 -0.720) 0.979 10.097 ( 0.000 -1.344 1.065) 1.714 10.130 ( 0.000 -2.822 -1.310) 3.111 10.224 ( 0.000 1.362 0.556) 1.471 10.234 ( 0.000 1.073 -0.336) 1.125 10.310 ( 0.000 -0.683 7.578) 7.608 10.380 ( 0.000 -1.315 3.071) 3.341 10.531 ( 0.000 0.464 -2.918) 2.954 10.561 ( 0.000 -0.233 -3.439) 3.447 10.593 ( 0.000 1.127 1.576) 1.937 10.635 ( -0.000 -0.031 1.267) 1.267 10.674 ( 0.000 1.998 -2.100) 2.899 10.691 ( 0.000 -2.250 -5.761) 6.185 10.811 ( 0.000 -2.535 1.148) 2.782 10.840 ( 0.000 -1.617 -1.418) 2.151 10.855 ( -0.000 0.568 0.197) 0.601 10.915 ( -0.000 -1.574 -3.408) 3.754 11.030 ( 0.000 -0.212 1.859) 1.871 11.063 ( 0.000 0.124 -1.188) 1.195 11.209 ( 0.000 -0.052 6.454) 6.454 11.325 ( 0.000 -0.162 -5.605) 5.608 11.518 ( 0.000 0.046 1.858) 1.859 11.568 ( -0.000 -0.334 -3.049) 3.067 11.589 ( 0.000 -0.076 2.568) 2.569 11.647 ( 0.000 -2.448 -2.641) 3.601 11.902 ( 0.000 -0.600 7.987) 8.009 12.004 ( 0.000 -1.314 -2.636) 2.945 12.339 ( 0.000 -0.445 8.047) 8.059 12.452 ( 0.000 4.179 3.299) 5.325 12.515 ( 0.000 3.114 -2.228) 3.829 12.529 ( -0.000 0.806 -8.266) 8.305 12.671 ( 0.000 0.874 3.564) 3.670 12.760 ( 0.000 -0.283 -4.941) 4.949 12.802 ( 0.000 1.634 1.529) 2.238 12.860 ( 0.000 -3.270 -4.010) 5.174 12.924 ( 0.000 1.375 1.261) 1.866 12.956 ( 0.000 -0.984 -2.214) 2.423 13.063 ( 0.000 -0.422 2.553) 2.588 13.121 ( 0.000 0.975 -3.174) 3.320 13.133 ( -0.000 -2.527 6.581) 7.049 13.290 ( 0.000 -0.972 -8.086) 8.144 13.449 ( 0.000 5.115 1.945) 5.472 13.488 ( 0.000 5.083 -1.601) 5.330 13.519 ( -0.000 0.049 3.228) 3.229 13.572 ( 0.000 -0.258 -1.224) 1.251 13.649 ( 0.000 -1.232 1.695) 2.096 13.709 ( -0.000 -1.662 -3.433) 3.814 13.899 ( -0.000 5.123 8.494) 9.919 14.056 ( 0.000 7.307 -5.800) 9.329 14.089 ( -0.000 -1.442 6.616) 6.771 14.159 ( -0.000 -7.819 4.920) 9.238 14.228 ( 0.000 -0.397 -6.013) 6.026 14.255 ( -0.000 -8.305 -3.854) 9.156 15.053 ( 0.000 2.122 1.965) 2.892 15.096 ( 0.000 -0.792 -1.960) 2.114 15.588 ( 0.000 0.489 0.478) 0.684 15.598 ( 0.000 0.429 -0.470) 0.636 15.782 ( 0.000 0.774 2.521) 2.638 15.832 ( 0.000 -0.844 -1.983) 2.155 16.016 ( 0.000 -0.394 0.930) 1.011 16.038 ( 0.000 -0.038 -1.055) 1.056 =================== 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 3/31680 10.0 1907.879 2238.762 1824.560 0.000 0.000 0.000 3/31680 20.0 470.286 527.952 294.907 0.000 0.000 0.000 3/31680 30.0 187.718 161.463 81.980 0.000 0.000 0.000 3/31680 40.0 102.086 72.459 35.990 0.000 0.000 0.000 3/31680 50.0 66.445 41.027 20.363 0.000 0.000 0.000 3/31680 60.0 48.067 26.692 13.351 0.000 0.000 0.000 3/31680 70.0 37.148 18.980 9.603 0.000 0.000 0.000 3/31680 80.0 30.023 14.351 7.353 0.000 0.000 0.000 3/31680 90.0 25.064 11.351 5.888 0.000 0.000 0.000 3/31680 100.0 21.448 9.292 4.876 0.000 0.000 0.000 3/31680 110.0 18.714 7.815 4.144 0.000 0.000 0.000 3/31680 120.0 16.587 6.716 3.594 0.000 0.000 0.000 3/31680 130.0 14.891 5.873 3.170 0.000 0.000 0.000 3/31680 140.0 13.512 5.212 2.833 0.000 0.000 0.000 3/31680 150.0 12.370 4.680 2.561 0.000 0.000 0.000 3/31680 160.0 11.410 4.246 2.337 0.000 0.000 0.000 3/31680 170.0 10.593 3.885 2.150 0.000 0.000 0.000 3/31680 180.0 9.888 3.580 1.991 0.000 0.000 0.000 3/31680 190.0 9.275 3.321 1.855 0.000 0.000 0.000 3/31680 200.0 8.736 3.097 1.737 0.000 0.000 0.000 3/31680 210.0 8.259 2.902 1.633 0.000 0.000 0.000 3/31680 220.0 7.834 2.731 1.542 0.000 0.000 0.000 3/31680 230.0 7.451 2.579 1.460 0.000 0.000 0.000 3/31680 240.0 7.106 2.444 1.387 0.000 0.000 0.000 3/31680 250.0 6.793 2.323 1.322 0.000 0.000 0.000 3/31680 260.0 6.507 2.213 1.263 0.000 0.000 0.000 3/31680 270.0 6.245 2.114 1.208 0.000 0.000 0.000 3/31680 280.0 6.004 2.024 1.159 0.000 0.000 0.000 3/31680 290.0 5.782 1.941 1.114 0.000 0.000 0.000 3/31680 300.0 5.576 1.865 1.072 0.000 0.000 0.000 3/31680 310.0 5.385 1.795 1.033 0.000 0.000 0.000 3/31680 320.0 5.206 1.730 0.997 0.000 0.000 0.000 3/31680 330.0 5.040 1.670 0.964 0.000 0.000 0.000 3/31680 340.0 4.884 1.614 0.933 0.000 0.000 0.000 3/31680 350.0 4.738 1.562 0.904 0.000 0.000 0.000 3/31680 360.0 4.600 1.514 0.876 0.000 0.000 0.000 3/31680 370.0 4.471 1.468 0.851 0.000 0.000 0.000 3/31680 380.0 4.348 1.425 0.827 0.000 0.000 0.000 3/31680 390.0 4.233 1.385 0.804 0.000 0.000 0.000 3/31680 400.0 4.123 1.346 0.782 0.000 0.000 0.000 3/31680 410.0 4.019 1.310 0.762 0.000 0.000 0.000 3/31680 420.0 3.920 1.276 0.743 0.000 0.000 0.000 3/31680 430.0 3.826 1.244 0.724 0.000 0.000 0.000 3/31680 440.0 3.737 1.213 0.707 0.000 0.000 0.000 3/31680 450.0 3.652 1.184 0.690 0.000 0.000 0.000 3/31680 460.0 3.570 1.157 0.675 0.000 0.000 0.000 3/31680 470.0 3.493 1.130 0.660 0.000 0.000 0.000 3/31680 480.0 3.418 1.105 0.645 0.000 0.000 0.000 3/31680 490.0 3.347 1.081 0.631 0.000 0.000 0.000 3/31680 500.0 3.278 1.058 0.618 0.000 0.000 0.000 3/31680 510.0 3.213 1.036 0.606 0.000 0.000 0.000 3/31680 520.0 3.150 1.015 0.593 0.000 0.000 0.000 3/31680 530.0 3.089 0.994 0.582 0.000 0.000 0.000 3/31680 540.0 3.031 0.975 0.571 0.000 0.000 0.000 3/31680 550.0 2.975 0.956 0.560 0.000 0.000 0.000 3/31680 560.0 2.921 0.938 0.550 0.000 0.000 0.000 3/31680 570.0 2.869 0.921 0.540 0.000 0.000 0.000 3/31680 580.0 2.819 0.904 0.530 0.000 0.000 0.000 3/31680 590.0 2.771 0.888 0.521 0.000 0.000 0.000 3/31680 600.0 2.724 0.873 0.512 0.000 0.000 0.000 3/31680 610.0 2.678 0.858 0.503 0.000 0.000 0.000 3/31680 620.0 2.635 0.843 0.495 0.000 0.000 0.000 3/31680 630.0 2.592 0.829 0.487 0.000 0.000 0.000 3/31680 640.0 2.551 0.816 0.479 0.000 0.000 0.000 3/31680 650.0 2.512 0.803 0.471 0.000 0.000 0.000 3/31680 660.0 2.473 0.790 0.464 0.000 0.000 0.000 3/31680 670.0 2.436 0.778 0.457 0.000 0.000 0.000 3/31680 680.0 2.400 0.766 0.450 0.000 0.000 0.000 3/31680 690.0 2.365 0.755 0.443 0.000 0.000 0.000 3/31680 700.0 2.331 0.744 0.437 0.000 0.000 0.000 3/31680 710.0 2.297 0.733 0.431 0.000 0.000 0.000 3/31680 720.0 2.265 0.722 0.425 0.000 0.000 0.000 3/31680 730.0 2.234 0.712 0.419 0.000 0.000 0.000 3/31680 740.0 2.204 0.702 0.413 0.000 0.000 0.000 3/31680 750.0 2.174 0.693 0.407 0.000 0.000 0.000 3/31680 760.0 2.145 0.683 0.402 0.000 0.000 0.000 3/31680 770.0 2.117 0.674 0.397 0.000 0.000 0.000 3/31680 780.0 2.090 0.665 0.391 0.000 0.000 0.000 3/31680 790.0 2.063 0.657 0.386 0.000 0.000 0.000 3/31680 800.0 2.037 0.648 0.381 0.000 0.000 0.000 3/31680 810.0 2.012 0.640 0.377 0.000 0.000 0.000 3/31680 820.0 1.987 0.632 0.372 0.000 0.000 0.000 3/31680 830.0 1.963 0.624 0.367 0.000 0.000 0.000 3/31680 840.0 1.939 0.617 0.363 0.000 0.000 0.000 3/31680 850.0 1.917 0.609 0.359 0.000 0.000 0.000 3/31680 860.0 1.894 0.602 0.354 0.000 0.000 0.000 3/31680 870.0 1.872 0.595 0.350 0.000 0.000 0.000 3/31680 880.0 1.851 0.588 0.346 0.000 0.000 0.000 3/31680 890.0 1.830 0.581 0.342 0.000 0.000 0.000 3/31680 900.0 1.810 0.575 0.338 0.000 0.000 0.000 3/31680 910.0 1.790 0.568 0.335 0.000 0.000 0.000 3/31680 920.0 1.770 0.562 0.331 0.000 0.000 0.000 3/31680 930.0 1.751 0.556 0.327 0.000 0.000 0.000 3/31680 940.0 1.732 0.550 0.324 0.000 0.000 0.000 3/31680 950.0 1.714 0.544 0.320 0.000 0.000 0.000 3/31680 960.0 1.696 0.538 0.317 0.000 0.000 0.000 3/31680 970.0 1.678 0.532 0.314 0.000 0.000 0.000 3/31680 980.0 1.661 0.527 0.311 0.000 0.000 0.000 3/31680 990.0 1.644 0.521 0.307 0.000 0.000 0.000 3/31680 1000.0 1.628 0.516 0.304 0.000 0.000 0.000 3/31680 Thermal conductivity related properties were written into "kappa-m1653.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:30:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|