----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:02:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.450533760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.468565790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.634722589999999 Atomic positions (fractional): *1 K 0.33040224057340 0.00027162122307 0.50044711968583 39.098 2 K 0.33040224057340 0.49972837877693 0.50044711968583 39.098 3 K 0.16959775942660 0.50027162122307 0.00044711968583 39.098 4 K 0.83040224057340 0.49972837877693 0.99955288031417 39.098 5 K 0.66959775942660 0.50027162122307 0.49955288031417 39.098 6 K 0.83040224057340 0.00027162122307 0.99955288031417 39.098 7 K 0.16959775942660 0.99972837877693 0.00044711968583 39.098 8 K 0.66959775942660 0.99972837877693 0.49955288031417 39.098 *9 Bi 0.95590679790545 0.25000000000000 0.55828998823958 208.980 10 Bi 0.45590679790545 0.25000000000000 0.94171001176042 208.980 11 Bi 0.54409320209455 0.75000000000000 0.05828998823958 208.980 12 Bi 0.04409320209455 0.75000000000000 0.44171001176042 208.980 *13 F 0.21624523950861 0.75000000000000 0.28205301220996 18.998 *14 F 0.09523770718345 0.45340613062361 0.39430268979462 18.998 *15 F 0.33098715133888 0.25000000000000 0.19880741158105 18.998 16 F 0.59523770718345 0.45340613062361 0.10569731020538 18.998 17 F 0.40476229281655 0.54659386937639 0.89430268979462 18.998 18 F 0.71624523950861 0.75000000000000 0.21794698779003 18.998 *19 F 0.48982986278769 0.75000000000000 0.38863577733470 18.998 20 F 0.98982986278769 0.75000000000000 0.11136422266530 18.998 21 F 0.28375476049139 0.25000000000000 0.78205301220996 18.998 22 F 0.09523770718345 0.04659386937639 0.39430268979462 18.998 23 F 0.66901284866112 0.75000000000000 0.80119258841895 18.998 24 F 0.83098715133888 0.25000000000000 0.30119258841895 18.998 25 F 0.78375476049139 0.25000000000000 0.71794698779004 18.998 26 F 0.40476229281655 0.95340613062361 0.89430268979462 18.998 27 F 0.01017013721231 0.25000000000000 0.88863577733470 18.998 28 F 0.51017013721231 0.25000000000000 0.61136422266530 18.998 29 F 0.59523770718345 0.04659386937639 0.10569731020538 18.998 30 F 0.90476229281655 0.95340613062361 0.60569731020538 18.998 31 F 0.16901284866112 0.75000000000000 0.69880741158105 18.998 32 F 0.90476229281655 0.54659386937639 0.60569731020538 18.998 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.450533760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.468565790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.634722589999999 Atomic positions (fractional): *1 K 0.33040224057340 0.00027162122307 0.50044711968583 39.098 > 1 2 K 0.33040224057340 0.49972837877693 0.50044711968583 39.098 > 2 3 K 0.16959775942660 0.50027162122307 0.00044711968583 39.098 > 3 4 K 0.83040224057340 0.49972837877693 0.99955288031417 39.098 > 4 5 K 0.66959775942660 0.50027162122307 0.49955288031417 39.098 > 5 6 K 0.83040224057340 0.00027162122307 0.99955288031417 39.098 > 6 7 K 0.16959775942660 0.99972837877693 0.00044711968583 39.098 > 7 8 K 0.66959775942660 0.99972837877693 0.49955288031417 39.098 > 8 *9 Bi 0.95590679790545 0.25000000000000 0.55828998823958 208.980 > 9 10 Bi 0.45590679790545 0.25000000000000 0.94171001176042 208.980 > 10 11 Bi 0.54409320209455 0.75000000000000 0.05828998823958 208.980 > 11 12 Bi 0.04409320209455 0.75000000000000 0.44171001176042 208.980 > 12 *13 F 0.21624523950861 0.75000000000000 0.28205301220996 18.998 > 13 *14 F 0.09523770718345 0.45340613062361 0.39430268979462 18.998 > 14 *15 F 0.33098715133888 0.25000000000000 0.19880741158105 18.998 > 15 16 F 0.59523770718345 0.45340613062361 0.10569731020538 18.998 > 16 17 F 0.40476229281655 0.54659386937639 0.89430268979462 18.998 > 17 18 F 0.71624523950861 0.75000000000000 0.21794698779003 18.998 > 18 *19 F 0.48982986278769 0.75000000000000 0.38863577733470 18.998 > 19 20 F 0.98982986278769 0.75000000000000 0.11136422266530 18.998 > 20 21 F 0.28375476049139 0.25000000000000 0.78205301220996 18.998 > 21 22 F 0.09523770718345 0.04659386937639 0.39430268979462 18.998 > 22 23 F 0.66901284866112 0.75000000000000 0.80119258841895 18.998 > 23 24 F 0.83098715133888 0.25000000000000 0.30119258841895 18.998 > 24 25 F 0.78375476049139 0.25000000000000 0.71794698779004 18.998 > 25 26 F 0.40476229281655 0.95340613062361 0.89430268979462 18.998 > 26 27 F 0.01017013721231 0.25000000000000 0.88863577733470 18.998 > 27 28 F 0.51017013721231 0.25000000000000 0.61136422266530 18.998 > 28 29 F 0.59523770718345 0.04659386937639 0.10569731020538 18.998 > 29 30 F 0.90476229281655 0.95340613062361 0.60569731020538 18.998 > 30 31 F 0.16901284866112 0.75000000000000 0.69880741158105 18.998 > 31 32 F 0.90476229281655 0.54659386937639 0.60569731020538 18.998 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.450533760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.937131580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.269445179999998 Atomic positions (fractional): *1 K 0.33040224057340 0.00013581061153 0.25022355984292 39.098 > 1 2 K 0.33040224057340 0.50013581061153 0.25022355984292 39.098 > 1 3 K 0.33040224057340 0.00013581061153 0.75022355984292 39.098 > 1 4 K 0.33040224057340 0.50013581061153 0.75022355984292 39.098 > 1 5 K 0.33040224057340 0.24986418938847 0.25022355984292 39.098 > 2 6 K 0.33040224057340 0.74986418938847 0.25022355984292 39.098 > 2 7 K 0.33040224057340 0.24986418938847 0.75022355984292 39.098 > 2 8 K 0.33040224057340 0.74986418938847 0.75022355984292 39.098 > 2 9 K 0.16959775942660 0.25013581061153 0.00022355984292 39.098 > 3 10 K 0.16959775942660 0.75013581061153 0.00022355984292 39.098 > 3 11 K 0.16959775942660 0.25013581061153 0.50022355984292 39.098 > 3 12 K 0.16959775942660 0.75013581061153 0.50022355984292 39.098 > 3 13 K 0.83040224057340 0.24986418938847 0.49977644015708 39.098 > 4 14 K 0.83040224057340 0.74986418938847 0.49977644015708 39.098 > 4 15 K 0.83040224057340 0.24986418938847 0.99977644015708 39.098 > 4 16 K 0.83040224057340 0.74986418938847 0.99977644015708 39.098 > 4 17 K 0.66959775942660 0.25013581061153 0.24977644015708 39.098 > 5 18 K 0.66959775942660 0.75013581061153 0.24977644015708 39.098 > 5 19 K 0.66959775942660 0.25013581061153 0.74977644015708 39.098 > 5 20 K 0.66959775942660 0.75013581061153 0.74977644015708 39.098 > 5 21 K 0.83040224057340 0.00013581061153 0.49977644015708 39.098 > 6 22 K 0.83040224057340 0.50013581061153 0.49977644015708 39.098 > 6 23 K 0.83040224057340 0.00013581061153 0.99977644015708 39.098 > 6 24 K 0.83040224057340 0.50013581061153 0.99977644015708 39.098 > 6 25 K 0.16959775942660 0.49986418938847 0.00022355984292 39.098 > 7 26 K 0.16959775942660 0.99986418938847 0.00022355984292 39.098 > 7 27 K 0.16959775942660 0.49986418938847 0.50022355984292 39.098 > 7 28 K 0.16959775942660 0.99986418938847 0.50022355984292 39.098 > 7 29 K 0.66959775942660 0.49986418938847 0.24977644015708 39.098 > 8 30 K 0.66959775942660 0.99986418938847 0.24977644015708 39.098 > 8 31 K 0.66959775942660 0.49986418938847 0.74977644015708 39.098 > 8 32 K 0.66959775942660 0.99986418938847 0.74977644015708 39.098 > 8 *33 Bi 0.95590679790545 0.12500000000000 0.27914499411979 208.980 > 9 34 Bi 0.95590679790545 0.62500000000000 0.27914499411979 208.980 > 9 35 Bi 0.95590679790545 0.12500000000000 0.77914499411979 208.980 > 9 36 Bi 0.95590679790545 0.62500000000000 0.77914499411979 208.980 > 9 37 Bi 0.45590679790545 0.12500000000000 0.47085500588021 208.980 > 10 38 Bi 0.45590679790545 0.62500000000000 0.47085500588021 208.980 > 10 39 Bi 0.45590679790545 0.12500000000000 0.97085500588021 208.980 > 10 40 Bi 0.45590679790545 0.62500000000000 0.97085500588021 208.980 > 10 41 Bi 0.54409320209455 0.37500000000000 0.02914499411979 208.980 > 11 42 Bi 0.54409320209455 0.87500000000000 0.02914499411979 208.980 > 11 43 Bi 0.54409320209455 0.37500000000000 0.52914499411979 208.980 > 11 44 Bi 0.54409320209455 0.87500000000000 0.52914499411979 208.980 > 11 45 Bi 0.04409320209455 0.37500000000000 0.22085500588021 208.980 > 12 46 Bi 0.04409320209455 0.87500000000000 0.22085500588021 208.980 > 12 47 Bi 0.04409320209455 0.37500000000000 0.72085500588021 208.980 > 12 48 Bi 0.04409320209455 0.87500000000000 0.72085500588021 208.980 > 12 *49 F 0.21624523950861 0.37500000000000 0.14102650610498 18.998 > 13 50 F 0.21624523950861 0.87500000000000 0.14102650610498 18.998 > 13 51 F 0.21624523950861 0.37500000000000 0.64102650610498 18.998 > 13 52 F 0.21624523950861 0.87500000000000 0.64102650610498 18.998 > 13 *53 F 0.09523770718345 0.22670306531181 0.19715134489731 18.998 > 14 54 F 0.09523770718345 0.72670306531181 0.19715134489731 18.998 > 14 55 F 0.09523770718345 0.22670306531181 0.69715134489731 18.998 > 14 56 F 0.09523770718345 0.72670306531181 0.69715134489731 18.998 > 14 *57 F 0.33098715133888 0.12500000000000 0.09940370579053 18.998 > 15 58 F 0.33098715133888 0.62500000000000 0.09940370579053 18.998 > 15 59 F 0.33098715133888 0.12500000000000 0.59940370579053 18.998 > 15 60 F 0.33098715133888 0.62500000000000 0.59940370579053 18.998 > 15 61 F 0.59523770718345 0.22670306531181 0.05284865510269 18.998 > 16 62 F 0.59523770718345 0.72670306531181 0.05284865510269 18.998 > 16 63 F 0.59523770718345 0.22670306531181 0.55284865510269 18.998 > 16 64 F 0.59523770718345 0.72670306531181 0.55284865510269 18.998 > 16 65 F 0.40476229281655 0.27329693468819 0.44715134489731 18.998 > 17 66 F 0.40476229281655 0.77329693468819 0.44715134489731 18.998 > 17 67 F 0.40476229281655 0.27329693468819 0.94715134489731 18.998 > 17 68 F 0.40476229281655 0.77329693468819 0.94715134489731 18.998 > 17 69 F 0.71624523950861 0.37500000000000 0.10897349389502 18.998 > 18 70 F 0.71624523950861 0.87500000000000 0.10897349389502 18.998 > 18 71 F 0.71624523950861 0.37500000000000 0.60897349389502 18.998 > 18 72 F 0.71624523950861 0.87500000000000 0.60897349389502 18.998 > 18 *73 F 0.48982986278769 0.37500000000000 0.19431788866735 18.998 > 19 74 F 0.48982986278769 0.87500000000000 0.19431788866735 18.998 > 19 75 F 0.48982986278769 0.37500000000000 0.69431788866735 18.998 > 19 76 F 0.48982986278769 0.87500000000000 0.69431788866735 18.998 > 19 77 F 0.98982986278769 0.37500000000000 0.05568211133265 18.998 > 20 78 F 0.98982986278769 0.87500000000000 0.05568211133265 18.998 > 20 79 F 0.98982986278769 0.37500000000000 0.55568211133265 18.998 > 20 80 F 0.98982986278769 0.87500000000000 0.55568211133265 18.998 > 20 81 F 0.28375476049139 0.12500000000000 0.39102650610498 18.998 > 21 82 F 0.28375476049139 0.62500000000000 0.39102650610498 18.998 > 21 83 F 0.28375476049139 0.12500000000000 0.89102650610498 18.998 > 21 84 F 0.28375476049139 0.62500000000000 0.89102650610498 18.998 > 21 85 F 0.09523770718345 0.02329693468819 0.19715134489731 18.998 > 22 86 F 0.09523770718345 0.52329693468819 0.19715134489731 18.998 > 22 87 F 0.09523770718345 0.02329693468819 0.69715134489731 18.998 > 22 88 F 0.09523770718345 0.52329693468819 0.69715134489731 18.998 > 22 89 F 0.66901284866112 0.37500000000000 0.40059629420947 18.998 > 23 90 F 0.66901284866112 0.87500000000000 0.40059629420947 18.998 > 23 91 F 0.66901284866112 0.37500000000000 0.90059629420947 18.998 > 23 92 F 0.66901284866112 0.87500000000000 0.90059629420947 18.998 > 23 93 F 0.83098715133888 0.12500000000000 0.15059629420947 18.998 > 24 94 F 0.83098715133888 0.62500000000000 0.15059629420947 18.998 > 24 95 F 0.83098715133888 0.12500000000000 0.65059629420947 18.998 > 24 96 F 0.83098715133888 0.62500000000000 0.65059629420947 18.998 > 24 97 F 0.78375476049139 0.12500000000000 0.35897349389502 18.998 > 25 98 F 0.78375476049139 0.62500000000000 0.35897349389502 18.998 > 25 99 F 0.78375476049139 0.12500000000000 0.85897349389502 18.998 > 25 100 F 0.78375476049139 0.62500000000000 0.85897349389502 18.998 > 25 101 F 0.40476229281655 0.47670306531181 0.44715134489731 18.998 > 26 102 F 0.40476229281655 0.97670306531181 0.44715134489731 18.998 > 26 103 F 0.40476229281655 0.47670306531181 0.94715134489731 18.998 > 26 104 F 0.40476229281655 0.97670306531181 0.94715134489731 18.998 > 26 105 F 0.01017013721231 0.12500000000000 0.44431788866735 18.998 > 27 106 F 0.01017013721231 0.62500000000000 0.44431788866735 18.998 > 27 107 F 0.01017013721231 0.12500000000000 0.94431788866735 18.998 > 27 108 F 0.01017013721231 0.62500000000000 0.94431788866735 18.998 > 27 109 F 0.51017013721231 0.12500000000000 0.30568211133265 18.998 > 28 110 F 0.51017013721231 0.62500000000000 0.30568211133265 18.998 > 28 111 F 0.51017013721231 0.12500000000000 0.80568211133265 18.998 > 28 112 F 0.51017013721231 0.62500000000000 0.80568211133265 18.998 > 28 113 F 0.59523770718345 0.02329693468819 0.05284865510269 18.998 > 29 114 F 0.59523770718345 0.52329693468819 0.05284865510269 18.998 > 29 115 F 0.59523770718345 0.02329693468819 0.55284865510269 18.998 > 29 116 F 0.59523770718345 0.52329693468819 0.55284865510269 18.998 > 29 117 F 0.90476229281655 0.47670306531181 0.30284865510269 18.998 > 30 118 F 0.90476229281655 0.97670306531181 0.30284865510269 18.998 > 30 119 F 0.90476229281655 0.47670306531181 0.80284865510269 18.998 > 30 120 F 0.90476229281655 0.97670306531181 0.80284865510269 18.998 > 30 121 F 0.16901284866112 0.37500000000000 0.34940370579053 18.998 > 31 122 F 0.16901284866112 0.87500000000000 0.34940370579053 18.998 > 31 123 F 0.16901284866112 0.37500000000000 0.84940370579053 18.998 > 31 124 F 0.16901284866112 0.87500000000000 0.84940370579053 18.998 > 31 125 F 0.90476229281655 0.27329693468819 0.30284865510269 18.998 > 32 126 F 0.90476229281655 0.77329693468819 0.30284865510269 18.998 > 32 127 F 0.90476229281655 0.27329693468819 0.80284865510269 18.998 > 32 128 F 0.90476229281655 0.77329693468819 0.80284865510269 18.998 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3443517 0.0000000 0.0000000 0.0000000 2.5459941 0.0000000 0.0000000 0.0000000 2.3791434 -------------------------- Born effective charges -------------------------- 1 K 1.2139128 0.1156661 0.0935155 0.0586829 1.1715377 0.0751842 0.0282345 0.1160077 1.2395444 2 K 1.2139128 -0.1156661 0.0935155 -0.0586829 1.1715377 -0.0751842 0.0282345 -0.1160077 1.2395444 3 K 1.2139128 -0.1156661 -0.0935155 -0.0586829 1.1715377 0.0751842 -0.0282345 0.1160077 1.2395444 4 K 1.2139128 -0.1156661 -0.0935155 -0.0586829 1.1715377 0.0751842 -0.0282345 0.1160077 1.2395444 5 K 1.2139128 -0.1156661 0.0935155 -0.0586829 1.1715377 -0.0751842 0.0282345 -0.1160077 1.2395444 6 K 1.2139128 0.1156661 -0.0935155 0.0586829 1.1715377 -0.0751842 -0.0282345 -0.1160077 1.2395444 7 K 1.2139128 0.1156661 -0.0935155 0.0586829 1.1715377 -0.0751842 -0.0282345 -0.1160077 1.2395444 8 K 1.2139128 0.1156661 0.0935155 0.0586829 1.1715377 0.0751842 0.0282345 0.1160077 1.2395444 9 Bi 3.3822252 0.0000000 -0.0614100 0.0000000 4.6291773 0.0000000 -0.0861431 0.0000000 3.5582244 10 Bi 3.3822252 0.0000000 0.0614100 0.0000000 4.6291773 0.0000000 0.0861431 0.0000000 3.5582244 11 Bi 3.3822252 0.0000000 0.0614100 0.0000000 4.6291773 0.0000000 0.0861431 0.0000000 3.5582244 12 Bi 3.3822252 0.0000000 -0.0614100 0.0000000 4.6291773 0.0000000 -0.0861431 0.0000000 3.5582244 13 F -1.6239367 0.0000000 0.3975550 0.0000000 -0.9054375 0.0000000 0.4320431 0.0000000 -1.0819868 14 F -1.0462042 -0.2314010 0.2964296 -0.1754362 -2.2309760 0.1936473 0.3055623 0.1727656 -0.8014001 15 F -1.1748770 0.0000000 0.5457790 0.0000000 -0.7964946 0.0000000 0.6366363 0.0000000 -1.5364232 16 F -1.0462042 -0.2314010 -0.2964296 -0.1754362 -2.2309760 -0.1936473 -0.3055623 -0.1727656 -0.8014001 17 F -1.0462042 -0.2314010 -0.2964296 -0.1754362 -2.2309760 -0.1936473 -0.3055623 -0.1727656 -0.8014001 18 F -1.6239367 0.0000000 -0.3975550 0.0000000 -0.9054375 0.0000000 -0.4320431 0.0000000 -1.0819868 19 F -0.9188287 0.0000000 0.4018451 0.0000000 -0.8083686 0.0000000 0.3032386 0.0000000 -1.8161031 20 F -0.9188287 0.0000000 -0.4018451 0.0000000 -0.8083686 0.0000000 -0.3032386 0.0000000 -1.8161031 21 F -1.6239367 0.0000000 -0.3975550 0.0000000 -0.9054375 0.0000000 -0.4320431 0.0000000 -1.0819868 22 F -1.0462042 0.2314010 0.2964296 0.1754362 -2.2309760 -0.1936473 0.3055623 -0.1727656 -0.8014001 23 F -1.1748770 0.0000000 0.5457790 0.0000000 -0.7964946 0.0000000 0.6366363 0.0000000 -1.5364232 24 F -1.1748770 0.0000000 -0.5457790 0.0000000 -0.7964946 0.0000000 -0.6366363 0.0000000 -1.5364232 25 F -1.6239367 0.0000000 0.3975550 0.0000000 -0.9054375 0.0000000 0.4320431 0.0000000 -1.0819868 26 F -1.0462042 0.2314010 -0.2964296 0.1754362 -2.2309760 0.1936473 -0.3055623 0.1727656 -0.8014001 27 F -0.9188287 0.0000000 -0.4018451 0.0000000 -0.8083686 0.0000000 -0.3032386 0.0000000 -1.8161031 28 F -0.9188287 0.0000000 0.4018451 0.0000000 -0.8083686 0.0000000 0.3032386 0.0000000 -1.8161031 29 F -1.0462042 0.2314010 -0.2964296 0.1754362 -2.2309760 0.1936473 -0.3055623 0.1727656 -0.8014001 30 F -1.0462042 0.2314010 0.2964296 0.1754362 -2.2309760 -0.1936473 0.3055623 -0.1727656 -0.8014001 31 F -1.1748770 0.0000000 -0.5457790 0.0000000 -0.7964946 0.0000000 -0.6366363 0.0000000 -1.5364232 32 F -1.0462042 -0.2314010 0.2964296 -0.1754362 -2.2309760 0.1936473 0.3055623 0.1727656 -0.8014001 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.857 Solver_block: 200 / 480 - Time: 0.775 Solver_block: 300 / 480 - Time: 0.765 Solver_block: 400 / 480 - Time: 0.763 Solver_block: 480 / 480 - Time: 0.641 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.896 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 20), data: (576, 32) @ (32, 20) |-- (76, 68), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:02:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:02:32]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.450533760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.468565790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.634722589999999 Atomic positions (fractional): 1 K 0.33040224057340 0.00027162122307 0.50044711968583 39.098 2 K 0.33040224057340 0.49972837877693 0.50044711968583 39.098 3 K 0.16959775942660 0.50027162122307 0.00044711968583 39.098 4 K 0.83040224057340 0.49972837877693 0.99955288031417 39.098 5 K 0.66959775942660 0.50027162122307 0.49955288031417 39.098 6 K 0.83040224057340 0.00027162122307 0.99955288031417 39.098 7 K 0.16959775942660 0.99972837877693 0.00044711968583 39.098 8 K 0.66959775942660 0.99972837877693 0.49955288031417 39.098 9 Bi 0.95590679790545 0.25000000000000 0.55828998823958 208.980 10 Bi 0.45590679790545 0.25000000000000 0.94171001176042 208.980 11 Bi 0.54409320209455 0.75000000000000 0.05828998823958 208.980 12 Bi 0.04409320209455 0.75000000000000 0.44171001176042 208.980 13 F 0.21624523950861 0.75000000000000 0.28205301220996 18.998 14 F 0.09523770718345 0.45340613062361 0.39430268979462 18.998 15 F 0.33098715133888 0.25000000000000 0.19880741158105 18.998 16 F 0.59523770718345 0.45340613062361 0.10569731020538 18.998 17 F 0.40476229281655 0.54659386937639 0.89430268979462 18.998 18 F 0.71624523950861 0.75000000000000 0.21794698779003 18.998 19 F 0.48982986278769 0.75000000000000 0.38863577733470 18.998 20 F 0.98982986278769 0.75000000000000 0.11136422266530 18.998 21 F 0.28375476049139 0.25000000000000 0.78205301220996 18.998 22 F 0.09523770718345 0.04659386937639 0.39430268979462 18.998 23 F 0.66901284866112 0.75000000000000 0.80119258841895 18.998 24 F 0.83098715133888 0.25000000000000 0.30119258841895 18.998 25 F 0.78375476049139 0.25000000000000 0.71794698779004 18.998 26 F 0.40476229281655 0.95340613062361 0.89430268979462 18.998 27 F 0.01017013721231 0.25000000000000 0.88863577733470 18.998 28 F 0.51017013721231 0.25000000000000 0.61136422266530 18.998 29 F 0.59523770718345 0.04659386937639 0.10569731020538 18.998 30 F 0.90476229281655 0.95340613062361 0.60569731020538 18.998 31 F 0.16901284866112 0.75000000000000 0.69880741158105 18.998 32 F 0.90476229281655 0.54659386937639 0.60569731020538 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.450533760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.937131580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.269445179999998 Atomic positions (fractional): 1 K 0.33040224057340 0.00013581061153 0.25022355984292 39.098 > 1 2 K 0.33040224057340 0.50013581061153 0.25022355984292 39.098 > 1 3 K 0.33040224057340 0.00013581061153 0.75022355984292 39.098 > 1 4 K 0.33040224057340 0.50013581061153 0.75022355984292 39.098 > 1 5 K 0.33040224057340 0.24986418938847 0.25022355984292 39.098 > 5 6 K 0.33040224057340 0.74986418938847 0.25022355984292 39.098 > 5 7 K 0.33040224057340 0.24986418938847 0.75022355984292 39.098 > 5 8 K 0.33040224057340 0.74986418938847 0.75022355984292 39.098 > 5 9 K 0.16959775942660 0.25013581061153 0.00022355984292 39.098 > 9 10 K 0.16959775942660 0.75013581061153 0.00022355984292 39.098 > 9 11 K 0.16959775942660 0.25013581061153 0.50022355984292 39.098 > 9 12 K 0.16959775942660 0.75013581061153 0.50022355984292 39.098 > 9 13 K 0.83040224057340 0.24986418938847 0.49977644015708 39.098 > 13 14 K 0.83040224057340 0.74986418938847 0.49977644015708 39.098 > 13 15 K 0.83040224057340 0.24986418938847 0.99977644015708 39.098 > 13 16 K 0.83040224057340 0.74986418938847 0.99977644015708 39.098 > 13 17 K 0.66959775942660 0.25013581061153 0.24977644015708 39.098 > 17 18 K 0.66959775942660 0.75013581061153 0.24977644015708 39.098 > 17 19 K 0.66959775942660 0.25013581061153 0.74977644015708 39.098 > 17 20 K 0.66959775942660 0.75013581061153 0.74977644015708 39.098 > 17 21 K 0.83040224057340 0.00013581061153 0.49977644015708 39.098 > 21 22 K 0.83040224057340 0.50013581061153 0.49977644015708 39.098 > 21 23 K 0.83040224057340 0.00013581061153 0.99977644015708 39.098 > 21 24 K 0.83040224057340 0.50013581061153 0.99977644015708 39.098 > 21 25 K 0.16959775942660 0.49986418938847 0.00022355984292 39.098 > 25 26 K 0.16959775942660 0.99986418938847 0.00022355984292 39.098 > 25 27 K 0.16959775942660 0.49986418938847 0.50022355984292 39.098 > 25 28 K 0.16959775942660 0.99986418938847 0.50022355984292 39.098 > 25 29 K 0.66959775942660 0.49986418938847 0.24977644015708 39.098 > 29 30 K 0.66959775942660 0.99986418938847 0.24977644015708 39.098 > 29 31 K 0.66959775942660 0.49986418938847 0.74977644015708 39.098 > 29 32 K 0.66959775942660 0.99986418938847 0.74977644015708 39.098 > 29 33 Bi 0.95590679790545 0.12500000000000 0.27914499411979 208.980 > 33 34 Bi 0.95590679790545 0.62500000000000 0.27914499411979 208.980 > 33 35 Bi 0.95590679790545 0.12500000000000 0.77914499411979 208.980 > 33 36 Bi 0.95590679790545 0.62500000000000 0.77914499411979 208.980 > 33 37 Bi 0.45590679790545 0.12500000000000 0.47085500588021 208.980 > 37 38 Bi 0.45590679790545 0.62500000000000 0.47085500588021 208.980 > 37 39 Bi 0.45590679790545 0.12500000000000 0.97085500588021 208.980 > 37 40 Bi 0.45590679790545 0.62500000000000 0.97085500588021 208.980 > 37 41 Bi 0.54409320209455 0.37500000000000 0.02914499411979 208.980 > 41 42 Bi 0.54409320209455 0.87500000000000 0.02914499411979 208.980 > 41 43 Bi 0.54409320209455 0.37500000000000 0.52914499411979 208.980 > 41 44 Bi 0.54409320209455 0.87500000000000 0.52914499411979 208.980 > 41 45 Bi 0.04409320209455 0.37500000000000 0.22085500588021 208.980 > 45 46 Bi 0.04409320209455 0.87500000000000 0.22085500588021 208.980 > 45 47 Bi 0.04409320209455 0.37500000000000 0.72085500588021 208.980 > 45 48 Bi 0.04409320209455 0.87500000000000 0.72085500588021 208.980 > 45 49 F 0.21624523950861 0.37500000000000 0.14102650610498 18.998 > 49 50 F 0.21624523950861 0.87500000000000 0.14102650610498 18.998 > 49 51 F 0.21624523950861 0.37500000000000 0.64102650610498 18.998 > 49 52 F 0.21624523950861 0.87500000000000 0.64102650610498 18.998 > 49 53 F 0.09523770718345 0.22670306531181 0.19715134489731 18.998 > 53 54 F 0.09523770718345 0.72670306531181 0.19715134489731 18.998 > 53 55 F 0.09523770718345 0.22670306531181 0.69715134489731 18.998 > 53 56 F 0.09523770718345 0.72670306531181 0.69715134489731 18.998 > 53 57 F 0.33098715133888 0.12500000000000 0.09940370579053 18.998 > 57 58 F 0.33098715133888 0.62500000000000 0.09940370579053 18.998 > 57 59 F 0.33098715133888 0.12500000000000 0.59940370579053 18.998 > 57 60 F 0.33098715133888 0.62500000000000 0.59940370579053 18.998 > 57 61 F 0.59523770718345 0.22670306531181 0.05284865510269 18.998 > 61 62 F 0.59523770718345 0.72670306531181 0.05284865510269 18.998 > 61 63 F 0.59523770718345 0.22670306531181 0.55284865510269 18.998 > 61 64 F 0.59523770718345 0.72670306531181 0.55284865510269 18.998 > 61 65 F 0.40476229281655 0.27329693468819 0.44715134489731 18.998 > 65 66 F 0.40476229281655 0.77329693468819 0.44715134489731 18.998 > 65 67 F 0.40476229281655 0.27329693468819 0.94715134489731 18.998 > 65 68 F 0.40476229281655 0.77329693468819 0.94715134489731 18.998 > 65 69 F 0.71624523950861 0.37500000000000 0.10897349389502 18.998 > 69 70 F 0.71624523950861 0.87500000000000 0.10897349389502 18.998 > 69 71 F 0.71624523950861 0.37500000000000 0.60897349389502 18.998 > 69 72 F 0.71624523950861 0.87500000000000 0.60897349389502 18.998 > 69 73 F 0.48982986278769 0.37500000000000 0.19431788866735 18.998 > 73 74 F 0.48982986278769 0.87500000000000 0.19431788866735 18.998 > 73 75 F 0.48982986278769 0.37500000000000 0.69431788866735 18.998 > 73 76 F 0.48982986278769 0.87500000000000 0.69431788866735 18.998 > 73 77 F 0.98982986278769 0.37500000000000 0.05568211133265 18.998 > 77 78 F 0.98982986278769 0.87500000000000 0.05568211133265 18.998 > 77 79 F 0.98982986278769 0.37500000000000 0.55568211133265 18.998 > 77 80 F 0.98982986278769 0.87500000000000 0.55568211133265 18.998 > 77 81 F 0.28375476049139 0.12500000000000 0.39102650610498 18.998 > 81 82 F 0.28375476049139 0.62500000000000 0.39102650610498 18.998 > 81 83 F 0.28375476049139 0.12500000000000 0.89102650610498 18.998 > 81 84 F 0.28375476049139 0.62500000000000 0.89102650610498 18.998 > 81 85 F 0.09523770718345 0.02329693468819 0.19715134489731 18.998 > 85 86 F 0.09523770718345 0.52329693468819 0.19715134489731 18.998 > 85 87 F 0.09523770718345 0.02329693468819 0.69715134489731 18.998 > 85 88 F 0.09523770718345 0.52329693468819 0.69715134489731 18.998 > 85 89 F 0.66901284866112 0.37500000000000 0.40059629420947 18.998 > 89 90 F 0.66901284866112 0.87500000000000 0.40059629420947 18.998 > 89 91 F 0.66901284866112 0.37500000000000 0.90059629420947 18.998 > 89 92 F 0.66901284866112 0.87500000000000 0.90059629420947 18.998 > 89 93 F 0.83098715133888 0.12500000000000 0.15059629420947 18.998 > 93 94 F 0.83098715133888 0.62500000000000 0.15059629420947 18.998 > 93 95 F 0.83098715133888 0.12500000000000 0.65059629420947 18.998 > 93 96 F 0.83098715133888 0.62500000000000 0.65059629420947 18.998 > 93 97 F 0.78375476049139 0.12500000000000 0.35897349389502 18.998 > 97 98 F 0.78375476049139 0.62500000000000 0.35897349389502 18.998 > 97 99 F 0.78375476049139 0.12500000000000 0.85897349389502 18.998 > 97 100 F 0.78375476049139 0.62500000000000 0.85897349389502 18.998 > 97 101 F 0.40476229281655 0.47670306531181 0.44715134489731 18.998 > 101 102 F 0.40476229281655 0.97670306531181 0.44715134489731 18.998 > 101 103 F 0.40476229281655 0.47670306531181 0.94715134489731 18.998 > 101 104 F 0.40476229281655 0.97670306531181 0.94715134489731 18.998 > 101 105 F 0.01017013721231 0.12500000000000 0.44431788866735 18.998 > 105 106 F 0.01017013721231 0.62500000000000 0.44431788866735 18.998 > 105 107 F 0.01017013721231 0.12500000000000 0.94431788866735 18.998 > 105 108 F 0.01017013721231 0.62500000000000 0.94431788866735 18.998 > 105 109 F 0.51017013721231 0.12500000000000 0.30568211133265 18.998 > 109 110 F 0.51017013721231 0.62500000000000 0.30568211133265 18.998 > 109 111 F 0.51017013721231 0.12500000000000 0.80568211133265 18.998 > 109 112 F 0.51017013721231 0.62500000000000 0.80568211133265 18.998 > 109 113 F 0.59523770718345 0.02329693468819 0.05284865510269 18.998 > 113 114 F 0.59523770718345 0.52329693468819 0.05284865510269 18.998 > 113 115 F 0.59523770718345 0.02329693468819 0.55284865510269 18.998 > 113 116 F 0.59523770718345 0.52329693468819 0.55284865510269 18.998 > 113 117 F 0.90476229281655 0.47670306531181 0.30284865510269 18.998 > 117 118 F 0.90476229281655 0.97670306531181 0.30284865510269 18.998 > 117 119 F 0.90476229281655 0.47670306531181 0.80284865510269 18.998 > 117 120 F 0.90476229281655 0.97670306531181 0.80284865510269 18.998 > 117 121 F 0.16901284866112 0.37500000000000 0.34940370579053 18.998 > 121 122 F 0.16901284866112 0.87500000000000 0.34940370579053 18.998 > 121 123 F 0.16901284866112 0.37500000000000 0.84940370579053 18.998 > 121 124 F 0.16901284866112 0.87500000000000 0.84940370579053 18.998 > 121 125 F 0.90476229281655 0.27329693468819 0.30284865510269 18.998 > 125 126 F 0.90476229281655 0.77329693468819 0.30284865510269 18.998 > 125 127 F 0.90476229281655 0.27329693468819 0.80284865510269 18.998 > 125 128 F 0.90476229281655 0.77329693468819 0.80284865510269 18.998 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3443517 0.0000000 0.0000000 0.0000000 2.5459941 0.0000000 0.0000000 0.0000000 2.3791434 -------------------------- Born effective charges -------------------------- 1 K 1.2139128 0.1156661 0.0935155 0.0586829 1.1715377 0.0751842 0.0282345 0.1160077 1.2395444 2 K 1.2139128 -0.1156661 0.0935155 -0.0586829 1.1715377 -0.0751842 0.0282345 -0.1160077 1.2395444 3 K 1.2139128 -0.1156661 -0.0935155 -0.0586829 1.1715377 0.0751842 -0.0282345 0.1160077 1.2395444 4 K 1.2139128 -0.1156661 -0.0935155 -0.0586829 1.1715377 0.0751842 -0.0282345 0.1160077 1.2395444 5 K 1.2139128 -0.1156661 0.0935155 -0.0586829 1.1715377 -0.0751842 0.0282345 -0.1160077 1.2395444 6 K 1.2139128 0.1156661 -0.0935155 0.0586829 1.1715377 -0.0751842 -0.0282345 -0.1160077 1.2395444 7 K 1.2139128 0.1156661 -0.0935155 0.0586829 1.1715377 -0.0751842 -0.0282345 -0.1160077 1.2395444 8 K 1.2139128 0.1156661 0.0935155 0.0586829 1.1715377 0.0751842 0.0282345 0.1160077 1.2395444 9 Bi 3.3822252 0.0000000 -0.0614100 0.0000000 4.6291773 0.0000000 -0.0861431 0.0000000 3.5582244 10 Bi 3.3822252 0.0000000 0.0614100 0.0000000 4.6291773 0.0000000 0.0861431 0.0000000 3.5582244 11 Bi 3.3822252 0.0000000 0.0614100 0.0000000 4.6291773 0.0000000 0.0861431 0.0000000 3.5582244 12 Bi 3.3822252 0.0000000 -0.0614100 0.0000000 4.6291773 0.0000000 -0.0861431 0.0000000 3.5582244 13 F -1.6239367 0.0000000 0.3975550 0.0000000 -0.9054375 0.0000000 0.4320431 0.0000000 -1.0819868 14 F -1.0462042 -0.2314010 0.2964296 -0.1754362 -2.2309760 0.1936473 0.3055623 0.1727656 -0.8014001 15 F -1.1748770 0.0000000 0.5457790 0.0000000 -0.7964946 0.0000000 0.6366363 0.0000000 -1.5364232 16 F -1.0462042 -0.2314010 -0.2964296 -0.1754362 -2.2309760 -0.1936473 -0.3055623 -0.1727656 -0.8014001 17 F -1.0462042 -0.2314010 -0.2964296 -0.1754362 -2.2309760 -0.1936473 -0.3055623 -0.1727656 -0.8014001 18 F -1.6239367 0.0000000 -0.3975550 0.0000000 -0.9054375 0.0000000 -0.4320431 0.0000000 -1.0819868 19 F -0.9188287 0.0000000 0.4018451 0.0000000 -0.8083686 0.0000000 0.3032386 0.0000000 -1.8161031 20 F -0.9188287 0.0000000 -0.4018451 0.0000000 -0.8083686 0.0000000 -0.3032386 0.0000000 -1.8161031 21 F -1.6239367 0.0000000 -0.3975550 0.0000000 -0.9054375 0.0000000 -0.4320431 0.0000000 -1.0819868 22 F -1.0462042 0.2314010 0.2964296 0.1754362 -2.2309760 -0.1936473 0.3055623 -0.1727656 -0.8014001 23 F -1.1748770 0.0000000 0.5457790 0.0000000 -0.7964946 0.0000000 0.6366363 0.0000000 -1.5364232 24 F -1.1748770 0.0000000 -0.5457790 0.0000000 -0.7964946 0.0000000 -0.6366363 0.0000000 -1.5364232 25 F -1.6239367 0.0000000 0.3975550 0.0000000 -0.9054375 0.0000000 0.4320431 0.0000000 -1.0819868 26 F -1.0462042 0.2314010 -0.2964296 0.1754362 -2.2309760 0.1936473 -0.3055623 0.1727656 -0.8014001 27 F -0.9188287 0.0000000 -0.4018451 0.0000000 -0.8083686 0.0000000 -0.3032386 0.0000000 -1.8161031 28 F -0.9188287 0.0000000 0.4018451 0.0000000 -0.8083686 0.0000000 0.3032386 0.0000000 -1.8161031 29 F -1.0462042 0.2314010 -0.2964296 0.1754362 -2.2309760 0.1936473 -0.3055623 0.1727656 -0.8014001 30 F -1.0462042 0.2314010 0.2964296 0.1754362 -2.2309760 -0.1936473 0.3055623 -0.1727656 -0.8014001 31 F -1.1748770 0.0000000 -0.5457790 0.0000000 -0.7964946 0.0000000 -0.6366363 0.0000000 -1.5364232 32 F -1.0462042 -0.2314010 0.2964296 -0.1754362 -2.2309760 0.1936473 0.3055623 0.1727656 -0.8014001 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:03:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:03:03]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.450533760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 7.468565790000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.634722589999999 Atomic positions (fractional): 1 K 0.33040224057340 0.00027162122307 0.50044711968583 39.098 2 K 0.33040224057340 0.49972837877693 0.50044711968583 39.098 3 K 0.16959775942660 0.50027162122307 0.00044711968583 39.098 4 K 0.83040224057340 0.49972837877693 0.99955288031417 39.098 5 K 0.66959775942660 0.50027162122307 0.49955288031417 39.098 6 K 0.83040224057340 0.00027162122307 0.99955288031417 39.098 7 K 0.16959775942660 0.99972837877693 0.00044711968583 39.098 8 K 0.66959775942660 0.99972837877693 0.49955288031417 39.098 9 Bi 0.95590679790545 0.25000000000000 0.55828998823958 208.980 10 Bi 0.45590679790545 0.25000000000000 0.94171001176042 208.980 11 Bi 0.54409320209455 0.75000000000000 0.05828998823958 208.980 12 Bi 0.04409320209455 0.75000000000000 0.44171001176042 208.980 13 F 0.21624523950861 0.75000000000000 0.28205301220996 18.998 14 F 0.09523770718345 0.45340613062361 0.39430268979462 18.998 15 F 0.33098715133888 0.25000000000000 0.19880741158105 18.998 16 F 0.59523770718345 0.45340613062361 0.10569731020538 18.998 17 F 0.40476229281655 0.54659386937639 0.89430268979462 18.998 18 F 0.71624523950861 0.75000000000000 0.21794698779003 18.998 19 F 0.48982986278769 0.75000000000000 0.38863577733470 18.998 20 F 0.98982986278769 0.75000000000000 0.11136422266530 18.998 21 F 0.28375476049139 0.25000000000000 0.78205301220996 18.998 22 F 0.09523770718345 0.04659386937639 0.39430268979462 18.998 23 F 0.66901284866112 0.75000000000000 0.80119258841895 18.998 24 F 0.83098715133888 0.25000000000000 0.30119258841895 18.998 25 F 0.78375476049139 0.25000000000000 0.71794698779004 18.998 26 F 0.40476229281655 0.95340613062361 0.89430268979462 18.998 27 F 0.01017013721231 0.25000000000000 0.88863577733470 18.998 28 F 0.51017013721231 0.25000000000000 0.61136422266530 18.998 29 F 0.59523770718345 0.04659386937639 0.10569731020538 18.998 30 F 0.90476229281655 0.95340613062361 0.60569731020538 18.998 31 F 0.16901284866112 0.75000000000000 0.69880741158105 18.998 32 F 0.90476229281655 0.54659386937639 0.60569731020538 18.998 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.450533760000001 0.000000000000000 0.000000000000000 b 0.000000000000000 14.937131580000001 0.000000000000000 c 0.000000000000000 0.000000000000000 13.269445179999998 Atomic positions (fractional): 1 K 0.33040224057340 0.00013581061153 0.25022355984292 39.098 > 1 2 K 0.33040224057340 0.50013581061153 0.25022355984292 39.098 > 1 3 K 0.33040224057340 0.00013581061153 0.75022355984292 39.098 > 1 4 K 0.33040224057340 0.50013581061153 0.75022355984292 39.098 > 1 5 K 0.33040224057340 0.24986418938847 0.25022355984292 39.098 > 5 6 K 0.33040224057340 0.74986418938847 0.25022355984292 39.098 > 5 7 K 0.33040224057340 0.24986418938847 0.75022355984292 39.098 > 5 8 K 0.33040224057340 0.74986418938847 0.75022355984292 39.098 > 5 9 K 0.16959775942660 0.25013581061153 0.00022355984292 39.098 > 9 10 K 0.16959775942660 0.75013581061153 0.00022355984292 39.098 > 9 11 K 0.16959775942660 0.25013581061153 0.50022355984292 39.098 > 9 12 K 0.16959775942660 0.75013581061153 0.50022355984292 39.098 > 9 13 K 0.83040224057340 0.24986418938847 0.49977644015708 39.098 > 13 14 K 0.83040224057340 0.74986418938847 0.49977644015708 39.098 > 13 15 K 0.83040224057340 0.24986418938847 0.99977644015708 39.098 > 13 16 K 0.83040224057340 0.74986418938847 0.99977644015708 39.098 > 13 17 K 0.66959775942660 0.25013581061153 0.24977644015708 39.098 > 17 18 K 0.66959775942660 0.75013581061153 0.24977644015708 39.098 > 17 19 K 0.66959775942660 0.25013581061153 0.74977644015708 39.098 > 17 20 K 0.66959775942660 0.75013581061153 0.74977644015708 39.098 > 17 21 K 0.83040224057340 0.00013581061153 0.49977644015708 39.098 > 21 22 K 0.83040224057340 0.50013581061153 0.49977644015708 39.098 > 21 23 K 0.83040224057340 0.00013581061153 0.99977644015708 39.098 > 21 24 K 0.83040224057340 0.50013581061153 0.99977644015708 39.098 > 21 25 K 0.16959775942660 0.49986418938847 0.00022355984292 39.098 > 25 26 K 0.16959775942660 0.99986418938847 0.00022355984292 39.098 > 25 27 K 0.16959775942660 0.49986418938847 0.50022355984292 39.098 > 25 28 K 0.16959775942660 0.99986418938847 0.50022355984292 39.098 > 25 29 K 0.66959775942660 0.49986418938847 0.24977644015708 39.098 > 29 30 K 0.66959775942660 0.99986418938847 0.24977644015708 39.098 > 29 31 K 0.66959775942660 0.49986418938847 0.74977644015708 39.098 > 29 32 K 0.66959775942660 0.99986418938847 0.74977644015708 39.098 > 29 33 Bi 0.95590679790545 0.12500000000000 0.27914499411979 208.980 > 33 34 Bi 0.95590679790545 0.62500000000000 0.27914499411979 208.980 > 33 35 Bi 0.95590679790545 0.12500000000000 0.77914499411979 208.980 > 33 36 Bi 0.95590679790545 0.62500000000000 0.77914499411979 208.980 > 33 37 Bi 0.45590679790545 0.12500000000000 0.47085500588021 208.980 > 37 38 Bi 0.45590679790545 0.62500000000000 0.47085500588021 208.980 > 37 39 Bi 0.45590679790545 0.12500000000000 0.97085500588021 208.980 > 37 40 Bi 0.45590679790545 0.62500000000000 0.97085500588021 208.980 > 37 41 Bi 0.54409320209455 0.37500000000000 0.02914499411979 208.980 > 41 42 Bi 0.54409320209455 0.87500000000000 0.02914499411979 208.980 > 41 43 Bi 0.54409320209455 0.37500000000000 0.52914499411979 208.980 > 41 44 Bi 0.54409320209455 0.87500000000000 0.52914499411979 208.980 > 41 45 Bi 0.04409320209455 0.37500000000000 0.22085500588021 208.980 > 45 46 Bi 0.04409320209455 0.87500000000000 0.22085500588021 208.980 > 45 47 Bi 0.04409320209455 0.37500000000000 0.72085500588021 208.980 > 45 48 Bi 0.04409320209455 0.87500000000000 0.72085500588021 208.980 > 45 49 F 0.21624523950861 0.37500000000000 0.14102650610498 18.998 > 49 50 F 0.21624523950861 0.87500000000000 0.14102650610498 18.998 > 49 51 F 0.21624523950861 0.37500000000000 0.64102650610498 18.998 > 49 52 F 0.21624523950861 0.87500000000000 0.64102650610498 18.998 > 49 53 F 0.09523770718345 0.22670306531181 0.19715134489731 18.998 > 53 54 F 0.09523770718345 0.72670306531181 0.19715134489731 18.998 > 53 55 F 0.09523770718345 0.22670306531181 0.69715134489731 18.998 > 53 56 F 0.09523770718345 0.72670306531181 0.69715134489731 18.998 > 53 57 F 0.33098715133888 0.12500000000000 0.09940370579053 18.998 > 57 58 F 0.33098715133888 0.62500000000000 0.09940370579053 18.998 > 57 59 F 0.33098715133888 0.12500000000000 0.59940370579053 18.998 > 57 60 F 0.33098715133888 0.62500000000000 0.59940370579053 18.998 > 57 61 F 0.59523770718345 0.22670306531181 0.05284865510269 18.998 > 61 62 F 0.59523770718345 0.72670306531181 0.05284865510269 18.998 > 61 63 F 0.59523770718345 0.22670306531181 0.55284865510269 18.998 > 61 64 F 0.59523770718345 0.72670306531181 0.55284865510269 18.998 > 61 65 F 0.40476229281655 0.27329693468819 0.44715134489731 18.998 > 65 66 F 0.40476229281655 0.77329693468819 0.44715134489731 18.998 > 65 67 F 0.40476229281655 0.27329693468819 0.94715134489731 18.998 > 65 68 F 0.40476229281655 0.77329693468819 0.94715134489731 18.998 > 65 69 F 0.71624523950861 0.37500000000000 0.10897349389502 18.998 > 69 70 F 0.71624523950861 0.87500000000000 0.10897349389502 18.998 > 69 71 F 0.71624523950861 0.37500000000000 0.60897349389502 18.998 > 69 72 F 0.71624523950861 0.87500000000000 0.60897349389502 18.998 > 69 73 F 0.48982986278769 0.37500000000000 0.19431788866735 18.998 > 73 74 F 0.48982986278769 0.87500000000000 0.19431788866735 18.998 > 73 75 F 0.48982986278769 0.37500000000000 0.69431788866735 18.998 > 73 76 F 0.48982986278769 0.87500000000000 0.69431788866735 18.998 > 73 77 F 0.98982986278769 0.37500000000000 0.05568211133265 18.998 > 77 78 F 0.98982986278769 0.87500000000000 0.05568211133265 18.998 > 77 79 F 0.98982986278769 0.37500000000000 0.55568211133265 18.998 > 77 80 F 0.98982986278769 0.87500000000000 0.55568211133265 18.998 > 77 81 F 0.28375476049139 0.12500000000000 0.39102650610498 18.998 > 81 82 F 0.28375476049139 0.62500000000000 0.39102650610498 18.998 > 81 83 F 0.28375476049139 0.12500000000000 0.89102650610498 18.998 > 81 84 F 0.28375476049139 0.62500000000000 0.89102650610498 18.998 > 81 85 F 0.09523770718345 0.02329693468819 0.19715134489731 18.998 > 85 86 F 0.09523770718345 0.52329693468819 0.19715134489731 18.998 > 85 87 F 0.09523770718345 0.02329693468819 0.69715134489731 18.998 > 85 88 F 0.09523770718345 0.52329693468819 0.69715134489731 18.998 > 85 89 F 0.66901284866112 0.37500000000000 0.40059629420947 18.998 > 89 90 F 0.66901284866112 0.87500000000000 0.40059629420947 18.998 > 89 91 F 0.66901284866112 0.37500000000000 0.90059629420947 18.998 > 89 92 F 0.66901284866112 0.87500000000000 0.90059629420947 18.998 > 89 93 F 0.83098715133888 0.12500000000000 0.15059629420947 18.998 > 93 94 F 0.83098715133888 0.62500000000000 0.15059629420947 18.998 > 93 95 F 0.83098715133888 0.12500000000000 0.65059629420947 18.998 > 93 96 F 0.83098715133888 0.62500000000000 0.65059629420947 18.998 > 93 97 F 0.78375476049139 0.12500000000000 0.35897349389502 18.998 > 97 98 F 0.78375476049139 0.62500000000000 0.35897349389502 18.998 > 97 99 F 0.78375476049139 0.12500000000000 0.85897349389502 18.998 > 97 100 F 0.78375476049139 0.62500000000000 0.85897349389502 18.998 > 97 101 F 0.40476229281655 0.47670306531181 0.44715134489731 18.998 > 101 102 F 0.40476229281655 0.97670306531181 0.44715134489731 18.998 > 101 103 F 0.40476229281655 0.47670306531181 0.94715134489731 18.998 > 101 104 F 0.40476229281655 0.97670306531181 0.94715134489731 18.998 > 101 105 F 0.01017013721231 0.12500000000000 0.44431788866735 18.998 > 105 106 F 0.01017013721231 0.62500000000000 0.44431788866735 18.998 > 105 107 F 0.01017013721231 0.12500000000000 0.94431788866735 18.998 > 105 108 F 0.01017013721231 0.62500000000000 0.94431788866735 18.998 > 105 109 F 0.51017013721231 0.12500000000000 0.30568211133265 18.998 > 109 110 F 0.51017013721231 0.62500000000000 0.30568211133265 18.998 > 109 111 F 0.51017013721231 0.12500000000000 0.80568211133265 18.998 > 109 112 F 0.51017013721231 0.62500000000000 0.80568211133265 18.998 > 109 113 F 0.59523770718345 0.02329693468819 0.05284865510269 18.998 > 113 114 F 0.59523770718345 0.52329693468819 0.05284865510269 18.998 > 113 115 F 0.59523770718345 0.02329693468819 0.55284865510269 18.998 > 113 116 F 0.59523770718345 0.52329693468819 0.55284865510269 18.998 > 113 117 F 0.90476229281655 0.47670306531181 0.30284865510269 18.998 > 117 118 F 0.90476229281655 0.97670306531181 0.30284865510269 18.998 > 117 119 F 0.90476229281655 0.47670306531181 0.80284865510269 18.998 > 117 120 F 0.90476229281655 0.97670306531181 0.80284865510269 18.998 > 117 121 F 0.16901284866112 0.37500000000000 0.34940370579053 18.998 > 121 122 F 0.16901284866112 0.87500000000000 0.34940370579053 18.998 > 121 123 F 0.16901284866112 0.37500000000000 0.84940370579053 18.998 > 121 124 F 0.16901284866112 0.87500000000000 0.84940370579053 18.998 > 121 125 F 0.90476229281655 0.27329693468819 0.30284865510269 18.998 > 125 126 F 0.90476229281655 0.77329693468819 0.30284865510269 18.998 > 125 127 F 0.90476229281655 0.27329693468819 0.80284865510269 18.998 > 125 128 F 0.90476229281655 0.77329693468819 0.80284865510269 18.998 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3443517 0.0000000 0.0000000 0.0000000 2.5459941 0.0000000 0.0000000 0.0000000 2.3791434 -------------------------- Born effective charges -------------------------- 1 K 1.2139128 0.1156661 0.0935155 0.0586829 1.1715377 0.0751842 0.0282345 0.1160077 1.2395444 2 K 1.2139128 -0.1156661 0.0935155 -0.0586829 1.1715377 -0.0751842 0.0282345 -0.1160077 1.2395444 3 K 1.2139128 -0.1156661 -0.0935155 -0.0586829 1.1715377 0.0751842 -0.0282345 0.1160077 1.2395444 4 K 1.2139128 -0.1156661 -0.0935155 -0.0586829 1.1715377 0.0751842 -0.0282345 0.1160077 1.2395444 5 K 1.2139128 -0.1156661 0.0935155 -0.0586829 1.1715377 -0.0751842 0.0282345 -0.1160077 1.2395444 6 K 1.2139128 0.1156661 -0.0935155 0.0586829 1.1715377 -0.0751842 -0.0282345 -0.1160077 1.2395444 7 K 1.2139128 0.1156661 -0.0935155 0.0586829 1.1715377 -0.0751842 -0.0282345 -0.1160077 1.2395444 8 K 1.2139128 0.1156661 0.0935155 0.0586829 1.1715377 0.0751842 0.0282345 0.1160077 1.2395444 9 Bi 3.3822252 0.0000000 -0.0614100 0.0000000 4.6291773 0.0000000 -0.0861431 0.0000000 3.5582244 10 Bi 3.3822252 0.0000000 0.0614100 0.0000000 4.6291773 0.0000000 0.0861431 0.0000000 3.5582244 11 Bi 3.3822252 0.0000000 0.0614100 0.0000000 4.6291773 0.0000000 0.0861431 0.0000000 3.5582244 12 Bi 3.3822252 0.0000000 -0.0614100 0.0000000 4.6291773 0.0000000 -0.0861431 0.0000000 3.5582244 13 F -1.6239367 0.0000000 0.3975550 0.0000000 -0.9054375 0.0000000 0.4320431 0.0000000 -1.0819868 14 F -1.0462042 -0.2314010 0.2964296 -0.1754362 -2.2309760 0.1936473 0.3055623 0.1727656 -0.8014001 15 F -1.1748770 0.0000000 0.5457790 0.0000000 -0.7964946 0.0000000 0.6366363 0.0000000 -1.5364232 16 F -1.0462042 -0.2314010 -0.2964296 -0.1754362 -2.2309760 -0.1936473 -0.3055623 -0.1727656 -0.8014001 17 F -1.0462042 -0.2314010 -0.2964296 -0.1754362 -2.2309760 -0.1936473 -0.3055623 -0.1727656 -0.8014001 18 F -1.6239367 0.0000000 -0.3975550 0.0000000 -0.9054375 0.0000000 -0.4320431 0.0000000 -1.0819868 19 F -0.9188287 0.0000000 0.4018451 0.0000000 -0.8083686 0.0000000 0.3032386 0.0000000 -1.8161031 20 F -0.9188287 0.0000000 -0.4018451 0.0000000 -0.8083686 0.0000000 -0.3032386 0.0000000 -1.8161031 21 F -1.6239367 0.0000000 -0.3975550 0.0000000 -0.9054375 0.0000000 -0.4320431 0.0000000 -1.0819868 22 F -1.0462042 0.2314010 0.2964296 0.1754362 -2.2309760 -0.1936473 0.3055623 -0.1727656 -0.8014001 23 F -1.1748770 0.0000000 0.5457790 0.0000000 -0.7964946 0.0000000 0.6366363 0.0000000 -1.5364232 24 F -1.1748770 0.0000000 -0.5457790 0.0000000 -0.7964946 0.0000000 -0.6366363 0.0000000 -1.5364232 25 F -1.6239367 0.0000000 0.3975550 0.0000000 -0.9054375 0.0000000 0.4320431 0.0000000 -1.0819868 26 F -1.0462042 0.2314010 -0.2964296 0.1754362 -2.2309760 0.1936473 -0.3055623 0.1727656 -0.8014001 27 F -0.9188287 0.0000000 -0.4018451 0.0000000 -0.8083686 0.0000000 -0.3032386 0.0000000 -1.8161031 28 F -0.9188287 0.0000000 0.4018451 0.0000000 -0.8083686 0.0000000 0.3032386 0.0000000 -1.8161031 29 F -1.0462042 0.2314010 -0.2964296 0.1754362 -2.2309760 0.1936473 -0.3055623 0.1727656 -0.8014001 30 F -1.0462042 0.2314010 0.2964296 0.1754362 -2.2309760 -0.1936473 0.3055623 -0.1727656 -0.8014001 31 F -1.1748770 0.0000000 -0.5457790 0.0000000 -0.7964946 0.0000000 -0.6366363 0.0000000 -1.5364232 32 F -1.0462042 -0.2314010 0.2964296 -0.1754362 -2.2309760 0.1936473 0.3055623 0.1727656 -0.8014001 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yxy) 0.00000001 (yxy) 0.00000001 (yyx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 7 8 ] 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: 291, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.367 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.664 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 2.003 ( 0.000 0.000 0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.115 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.470 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.498 ( 0.000 0.000 0.000) 0.000 3.532 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.627 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.838 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.860 ( 0.000 0.000 0.000) 0.000 3.885 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.091 ( 0.000 0.000 0.000) 0.000 4.095 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.291 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.408 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.759 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.058 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.228 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.401 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.586 ( 0.000 0.000 0.000) 0.000 5.603 ( 0.000 0.000 0.000) 0.000 6.026 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.613 ( 0.000 0.000 0.000) 0.000 6.670 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.793 ( 0.000 0.000 0.000) 0.000 7.174 ( 0.000 0.000 0.000) 0.000 7.392 ( 0.000 0.000 0.000) 0.000 7.544 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.920 ( 0.000 0.000 0.000) 0.000 8.007 ( 0.000 0.000 0.000) 0.000 8.015 ( 0.000 0.000 0.000) 0.000 8.236 ( 0.000 0.000 0.000) 0.000 8.442 ( 0.000 0.000 0.000) 0.000 8.459 ( 0.000 0.000 0.000) 0.000 8.883 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.066 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.422 ( 0.000 0.000 0.000) 0.000 9.750 ( 0.000 0.000 0.000) 0.000 9.797 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.388 ( 0.000 0.000 0.000) 0.000 10.413 ( 0.000 0.000 0.000) 0.000 10.841 ( 0.000 0.000 0.000) 0.000 10.909 ( 0.000 0.000 0.000) 0.000 12.262 ( 0.000 0.000 0.000) 0.000 12.614 ( 0.000 0.000 0.000) 0.000 12.807 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 17.120 0.000 0.000) 17.120 0.425 ( 18.696 0.000 0.000) 18.696 0.607 ( 25.562 0.000 0.000) 25.562 1.064 ( -9.078 0.000 0.000) 9.078 1.139 ( -13.956 0.000 0.000) 13.956 1.525 ( -11.341 0.000 0.000) 11.341 1.769 ( 9.216 0.000 0.000) 9.216 1.803 ( 3.609 0.000 0.000) 3.609 1.845 ( 4.281 0.000 0.000) 4.281 1.949 ( -4.225 0.000 0.000) 4.225 2.026 ( 0.883 0.000 0.000) 0.883 2.133 ( -3.520 0.000 0.000) 3.520 2.193 ( -0.738 0.000 0.000) 0.738 2.224 ( -1.565 0.000 0.000) 1.565 2.227 ( 0.852 0.000 0.000) 0.852 2.497 ( 7.839 0.000 0.000) 7.839 2.561 ( 7.391 0.000 0.000) 7.391 2.642 ( -11.728 0.000 0.000) 11.728 2.801 ( 3.666 0.000 0.000) 3.666 3.006 ( -3.713 0.000 0.000) 3.713 3.027 ( -1.197 0.000 0.000) 1.197 3.078 ( -2.701 0.000 0.000) 2.701 3.143 ( -6.314 0.000 0.000) 6.314 3.158 ( -6.108 0.000 0.000) 6.108 3.471 ( 0.171 0.000 0.000) 0.171 3.474 ( 0.216 0.000 0.000) 0.216 3.477 ( 3.482 0.000 0.000) 3.482 3.517 ( 0.892 0.000 0.000) 0.892 3.570 ( 2.136 0.000 0.000) 2.136 3.613 ( -0.693 0.000 0.000) 0.693 3.663 ( 4.577 0.000 0.000) 4.577 3.764 ( 4.280 0.000 0.000) 4.280 3.810 ( -1.722 0.000 0.000) 1.722 3.872 ( -0.252 0.000 0.000) 0.252 3.881 ( 0.950 0.000 0.000) 0.950 3.888 ( 0.206 0.000 0.000) 0.206 4.072 ( -0.116 0.000 0.000) 0.116 4.104 ( 1.307 0.000 0.000) 1.307 4.125 ( 0.263 0.000 0.000) 0.263 4.136 ( 2.903 0.000 0.000) 2.903 4.202 ( 2.084 0.000 0.000) 2.084 4.274 ( -0.975 0.000 0.000) 0.975 4.348 ( 0.193 0.000 0.000) 0.193 4.383 ( -2.423 0.000 0.000) 2.423 4.610 ( -1.715 0.000 0.000) 1.715 4.658 ( -4.601 0.000 0.000) 4.601 4.761 ( 1.130 0.000 0.000) 1.130 4.868 ( -1.066 0.000 0.000) 1.066 4.897 ( 3.668 0.000 0.000) 3.668 4.938 ( -0.363 0.000 0.000) 0.363 4.941 ( 1.023 0.000 0.000) 1.023 4.942 ( -3.307 0.000 0.000) 3.307 5.034 ( -2.029 0.000 0.000) 2.029 5.088 ( -3.630 0.000 0.000) 3.630 5.265 ( 0.694 0.000 0.000) 0.694 5.338 ( 4.894 0.000 0.000) 4.894 5.350 ( -3.502 0.000 0.000) 3.502 5.424 ( 0.796 0.000 0.000) 0.796 5.470 ( 3.246 0.000 0.000) 3.246 5.533 ( 1.152 0.000 0.000) 1.152 5.582 ( -0.489 0.000 0.000) 0.489 5.606 ( -0.454 0.000 0.000) 0.454 6.040 ( 1.150 0.000 0.000) 1.150 6.121 ( -2.257 0.000 0.000) 2.257 6.628 ( 1.174 0.000 0.000) 1.174 6.667 ( -0.316 0.000 0.000) 0.316 6.761 ( 0.513 0.000 0.000) 0.513 6.788 ( -0.423 0.000 0.000) 0.423 7.201 ( 2.329 0.000 0.000) 2.329 7.352 ( -3.290 0.000 0.000) 3.290 7.770 ( 2.109 0.000 0.000) 2.109 7.877 ( -2.576 0.000 0.000) 2.576 8.029 ( 1.992 0.000 0.000) 1.992 8.096 ( 5.888 0.000 0.000) 5.888 8.178 ( -4.172 0.000 0.000) 4.172 8.380 ( -5.243 0.000 0.000) 5.243 8.456 ( 1.184 0.000 0.000) 1.184 8.482 ( 1.108 0.000 0.000) 1.108 8.851 ( -1.553 0.000 0.000) 1.553 8.948 ( -4.735 0.000 0.000) 4.735 9.257 ( 4.847 0.000 0.000) 4.847 9.349 ( 1.551 0.000 0.000) 1.551 9.467 ( 4.280 0.000 0.000) 4.280 9.703 ( -4.110 0.000 0.000) 4.110 9.847 ( 4.275 0.000 0.000) 4.275 10.066 ( 2.927 0.000 0.000) 2.927 10.109 ( -5.680 0.000 0.000) 5.680 10.279 ( -5.765 0.000 0.000) 5.765 10.509 ( 4.721 0.000 0.000) 4.721 10.681 ( -2.531 0.000 0.000) 2.531 10.998 ( 7.212 0.000 0.000) 7.212 11.365 ( -6.851 0.000 0.000) 6.851 12.330 ( 5.431 0.000 0.000) 5.431 12.572 ( -3.670 0.000 0.000) 3.670 13.060 ( 0.516 0.000 0.000) 0.516 13.088 ( -0.473 0.000 0.000) 0.473 ======================= Grid point 2 (3/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( -15.013 0.000 0.000) 15.013 0.737 ( 15.013 0.000 0.000) 15.013 0.798 ( -14.989 0.000 0.000) 14.989 0.798 ( 14.989 0.000 0.000) 14.989 1.183 ( -18.920 0.000 0.000) 18.920 1.183 ( 18.920 0.000 0.000) 18.920 1.864 ( -2.900 0.000 0.000) 2.900 1.864 ( 2.900 0.000 0.000) 2.900 1.895 ( -1.328 0.000 0.000) 1.328 1.895 ( 1.328 0.000 0.000) 1.328 2.068 ( -2.601 0.000 0.000) 2.601 2.068 ( 2.601 0.000 0.000) 2.601 2.188 ( -0.930 0.000 0.000) 0.930 2.188 ( 0.930 0.000 0.000) 0.930 2.366 ( -10.744 0.000 0.000) 10.744 2.366 ( 10.744 0.000 0.000) 10.744 2.639 ( -1.862 0.000 0.000) 1.862 2.639 ( 1.862 0.000 0.000) 1.862 2.903 ( -5.153 0.000 0.000) 5.153 2.903 ( 5.153 0.000 0.000) 5.153 3.042 ( -1.082 0.000 0.000) 1.082 3.042 ( 1.082 0.000 0.000) 1.082 3.046 ( -3.292 0.000 0.000) 3.292 3.046 ( 3.292 0.000 0.000) 3.292 3.476 ( -0.111 0.000 0.000) 0.111 3.476 ( 0.111 0.000 0.000) 0.111 3.519 ( -0.768 0.000 0.000) 0.768 3.519 ( 0.768 0.000 0.000) 0.768 3.600 ( -0.727 0.000 0.000) 0.727 3.600 ( 0.727 0.000 0.000) 0.727 3.760 ( -3.271 0.000 0.000) 3.271 3.760 ( 3.271 0.000 0.000) 3.271 3.846 ( -2.559 0.000 0.000) 2.559 3.846 ( 2.559 0.000 0.000) 2.559 3.891 ( -0.026 0.000 0.000) 0.026 3.891 ( 0.026 0.000 0.000) 0.026 4.088 ( -1.820 0.000 0.000) 1.820 4.088 ( 1.820 0.000 0.000) 1.820 4.147 ( -2.064 0.000 0.000) 2.064 4.147 ( 2.064 0.000 0.000) 2.064 4.303 ( -4.705 0.000 0.000) 4.705 4.303 ( 4.705 0.000 0.000) 4.705 4.307 ( -3.892 0.000 0.000) 3.892 4.307 ( 3.892 0.000 0.000) 3.892 4.589 ( -0.692 0.000 0.000) 0.692 4.589 ( 0.692 0.000 0.000) 0.692 4.806 ( -3.054 0.000 0.000) 3.054 4.806 ( 3.054 0.000 0.000) 3.054 4.927 ( -0.553 0.000 0.000) 0.553 4.927 ( 0.553 0.000 0.000) 0.553 4.976 ( -1.255 0.000 0.000) 1.255 4.976 ( 1.255 0.000 0.000) 1.255 5.001 ( -3.605 0.000 0.000) 3.605 5.001 ( 3.605 0.000 0.000) 3.605 5.282 ( -2.006 0.000 0.000) 2.006 5.282 ( 2.006 0.000 0.000) 2.006 5.416 ( -1.912 0.000 0.000) 1.912 5.416 ( 1.912 0.000 0.000) 1.912 5.560 ( -3.756 0.000 0.000) 3.756 5.560 ( 3.756 0.000 0.000) 3.756 5.562 ( -1.253 0.000 0.000) 1.253 5.562 ( 1.253 0.000 0.000) 1.253 6.073 ( -1.872 0.000 0.000) 1.872 6.073 ( 1.872 0.000 0.000) 1.872 6.653 ( -0.954 0.000 0.000) 0.954 6.653 ( 0.954 0.000 0.000) 0.954 6.775 ( -0.691 0.000 0.000) 0.691 6.775 ( 0.691 0.000 0.000) 0.691 7.270 ( -3.776 0.000 0.000) 3.776 7.270 ( 3.776 0.000 0.000) 3.776 7.822 ( -2.480 0.000 0.000) 2.480 7.822 ( 2.480 0.000 0.000) 2.480 8.090 ( -3.538 0.000 0.000) 3.538 8.090 ( 3.538 0.000 0.000) 3.538 8.241 ( -6.960 0.000 0.000) 6.960 8.241 ( 6.960 0.000 0.000) 6.960 8.483 ( -0.938 0.000 0.000) 0.938 8.483 ( 0.938 0.000 0.000) 0.938 8.858 ( -2.545 0.000 0.000) 2.545 8.858 ( 2.545 0.000 0.000) 2.545 9.344 ( -2.338 0.000 0.000) 2.338 9.344 ( 2.338 0.000 0.000) 2.338 9.586 ( -6.015 0.000 0.000) 6.015 9.586 ( 6.015 0.000 0.000) 6.015 9.968 ( -6.525 0.000 0.000) 6.525 9.968 ( 6.525 0.000 0.000) 6.525 10.157 ( -5.164 0.000 0.000) 5.164 10.157 ( 5.164 0.000 0.000) 5.164 10.607 ( -4.116 0.000 0.000) 4.116 10.607 ( 4.116 0.000 0.000) 4.116 11.183 ( -9.054 0.000 0.000) 9.054 11.183 ( 9.054 0.000 0.000) 9.054 12.463 ( -6.046 0.000 0.000) 6.046 12.463 ( 6.046 0.000 0.000) 6.046 13.074 ( -0.704 0.000 0.000) 0.704 13.074 ( 0.704 0.000 0.000) 0.704 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( 0.000 19.103 0.000) 19.103 0.372 ( 0.000 19.521 0.000) 19.521 0.798 ( 0.000 40.013 0.000) 40.013 1.335 ( 0.000 14.318 0.000) 14.318 1.343 ( 0.000 -1.863 0.000) 1.863 1.557 ( 0.000 -3.281 0.000) 3.281 1.578 ( 0.000 -5.549 0.000) 5.549 1.702 ( 0.000 -5.885 0.000) 5.885 1.855 ( 0.000 8.003 0.000) 8.003 2.053 ( 0.000 -2.327 0.000) 2.327 2.083 ( 0.000 7.487 0.000) 7.487 2.134 ( 0.000 -6.712 0.000) 6.712 2.218 ( 0.000 6.242 0.000) 6.242 2.248 ( 0.000 4.433 0.000) 4.433 2.407 ( 0.000 9.068 0.000) 9.068 2.476 ( 0.000 8.983 0.000) 8.983 2.484 ( 0.000 5.769 0.000) 5.769 2.703 ( 0.000 -2.716 0.000) 2.716 2.846 ( 0.000 1.461 0.000) 1.461 3.022 ( 0.000 -0.366 0.000) 0.366 3.040 ( 0.000 -0.330 0.000) 0.330 3.049 ( 0.000 -0.585 0.000) 0.585 3.191 ( 0.000 4.348 0.000) 4.348 3.227 ( 0.000 -0.759 0.000) 0.759 3.430 ( 0.000 2.199 0.000) 2.199 3.444 ( 0.000 -6.059 0.000) 6.059 3.458 ( 0.000 -0.570 0.000) 0.570 3.470 ( 0.000 -0.623 0.000) 0.623 3.513 ( 0.000 -9.858 0.000) 9.858 3.517 ( 0.000 -1.312 0.000) 1.312 3.594 ( 0.000 -1.966 0.000) 1.966 3.725 ( 0.000 2.783 0.000) 2.783 3.823 ( 0.000 -2.564 0.000) 2.564 3.859 ( 0.000 1.307 0.000) 1.307 3.862 ( 0.000 -1.015 0.000) 1.015 4.004 ( 0.000 0.876 0.000) 0.876 4.015 ( 0.000 -5.624 0.000) 5.624 4.020 ( 0.000 -3.899 0.000) 3.899 4.109 ( 0.000 1.665 0.000) 1.665 4.138 ( 0.000 3.635 0.000) 3.635 4.208 ( 0.000 -0.106 0.000) 0.106 4.280 ( 0.000 -5.330 0.000) 5.330 4.384 ( 0.000 5.971 0.000) 5.971 4.455 ( 0.000 4.160 0.000) 4.160 4.538 ( 0.000 0.765 0.000) 0.765 4.639 ( 0.000 -0.257 0.000) 0.257 4.736 ( 0.000 -2.332 0.000) 2.332 4.739 ( 0.000 -0.542 0.000) 0.542 4.858 ( 0.000 -1.213 0.000) 1.213 4.927 ( 0.000 -1.493 0.000) 1.493 4.932 ( 0.000 -0.849 0.000) 0.849 4.990 ( 0.000 -2.154 0.000) 2.154 5.050 ( 0.000 8.546 0.000) 8.546 5.055 ( 0.000 -0.389 0.000) 0.389 5.208 ( 0.000 -1.529 0.000) 1.529 5.270 ( 0.000 -7.629 0.000) 7.629 5.307 ( 0.000 -8.132 0.000) 8.132 5.433 ( 0.000 -0.953 0.000) 0.953 5.483 ( 0.000 2.635 0.000) 2.635 5.561 ( 0.000 -1.832 0.000) 1.832 5.626 ( 0.000 2.189 0.000) 2.189 6.101 ( 0.000 -5.118 0.000) 5.118 6.106 ( 0.000 7.154 0.000) 7.154 6.214 ( 0.000 -6.193 0.000) 6.193 6.525 ( 0.000 7.742 0.000) 7.742 7.062 ( 0.000 21.021 0.000) 21.021 7.131 ( 0.000 24.368 0.000) 24.368 7.201 ( 0.000 2.677 0.000) 2.677 7.402 ( 0.000 1.197 0.000) 1.197 7.519 ( 0.000 -2.464 0.000) 2.464 7.747 ( 0.000 -4.034 0.000) 4.034 7.900 ( 0.000 -1.828 0.000) 1.828 7.920 ( 0.000 -6.375 0.000) 6.375 7.973 ( 0.000 -1.563 0.000) 1.563 8.276 ( 0.000 2.138 0.000) 2.138 8.460 ( 0.000 -0.114 0.000) 0.114 8.517 ( 0.000 6.695 0.000) 6.695 8.924 ( 0.000 3.330 0.000) 3.330 9.012 ( 0.000 0.040 0.000) 0.040 9.060 ( 0.000 -0.543 0.000) 0.543 9.196 ( 0.000 0.488 0.000) 0.488 9.353 ( 0.000 -6.852 0.000) 6.852 9.381 ( 0.000 -4.240 0.000) 4.240 9.758 ( 0.000 -4.182 0.000) 4.182 9.767 ( 0.000 1.971 0.000) 1.971 10.020 ( 0.000 -1.189 0.000) 1.189 10.139 ( 0.000 -3.524 0.000) 3.524 10.392 ( 0.000 0.537 0.000) 0.537 10.411 ( 0.000 -0.295 0.000) 0.295 10.847 ( 0.000 0.685 0.000) 0.685 10.879 ( 0.000 -3.429 0.000) 3.429 11.339 ( 0.000 -5.719 0.000) 5.719 12.315 ( 0.000 5.135 0.000) 5.135 12.633 ( 0.000 2.292 0.000) 2.292 12.797 ( 0.000 -1.068 0.000) 1.068 13.095 ( 0.000 -0.065 0.000) 0.065 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 10.953 11.940 0.000) 16.203 0.523 ( 12.886 11.670 0.000) 17.385 1.003 ( 13.435 29.680 0.000) 32.579 1.138 ( -11.187 0.931 0.000) 11.225 1.194 ( -11.047 9.295 0.000) 14.438 1.536 ( -5.351 3.251 0.000) 6.261 1.715 ( 8.169 -4.730 0.000) 9.440 1.760 ( 4.867 -5.196 0.000) 7.120 1.894 ( 2.431 5.676 0.000) 6.175 2.017 ( -4.355 4.128 0.000) 6.000 2.070 ( 1.137 -1.083 0.000) 1.570 2.141 ( -0.439 -2.775 0.000) 2.809 2.193 ( -2.236 6.103 0.000) 6.500 2.211 ( -0.211 6.033 0.000) 6.037 2.316 ( -2.207 6.654 0.000) 7.011 2.575 ( 7.030 6.449 0.000) 9.540 2.626 ( -9.159 -0.793 0.000) 9.194 2.633 ( 7.494 6.782 0.000) 10.108 2.810 ( 1.157 1.150 0.000) 1.631 2.982 ( -5.080 -2.077 0.000) 5.488 3.011 ( -1.986 -3.733 0.000) 4.228 3.012 ( -2.549 -0.662 0.000) 2.634 3.135 ( -3.190 2.837 0.000) 4.269 3.162 ( -4.422 0.904 0.000) 4.513 3.432 ( -0.206 -4.154 0.000) 4.160 3.443 ( -0.371 -3.872 0.000) 3.890 3.462 ( 1.106 -1.237 0.000) 1.660 3.528 ( 0.526 1.343 0.000) 1.442 3.566 ( 0.881 -5.014 0.000) 5.091 3.571 ( 2.916 -1.068 0.000) 3.105 3.615 ( 7.546 -3.094 0.000) 8.156 3.739 ( 0.856 -1.617 0.000) 1.830 3.829 ( -0.302 -3.709 0.000) 3.722 3.832 ( -1.526 1.727 0.000) 2.305 3.882 ( 1.036 -0.874 0.000) 1.356 3.960 ( -2.471 2.593 0.000) 3.582 4.018 ( 0.152 -5.624 0.000) 5.626 4.026 ( 0.224 -3.516 0.000) 3.523 4.153 ( 3.635 1.803 0.000) 4.058 4.183 ( 3.426 4.123 0.000) 5.360 4.210 ( 0.499 -0.230 0.000) 0.549 4.288 ( 0.090 -5.286 0.000) 5.287 4.360 ( -1.764 5.689 0.000) 5.956 4.427 ( -2.500 3.818 0.000) 4.564 4.593 ( 1.778 0.224 0.000) 1.792 4.628 ( -1.122 0.166 0.000) 1.134 4.748 ( 0.658 0.240 0.000) 0.700 4.774 ( 1.628 -4.128 0.000) 4.438 4.863 ( 0.725 -1.754 0.000) 1.898 4.921 ( -0.761 -1.339 0.000) 1.540 4.938 ( 1.813 -2.550 0.000) 3.129 5.014 ( -1.215 1.348 0.000) 1.815 5.020 ( 2.392 -1.520 0.000) 2.834 5.051 ( -0.518 3.439 0.000) 3.478 5.228 ( 0.538 -0.651 0.000) 0.844 5.280 ( -0.546 -5.364 0.000) 5.391 5.316 ( 2.438 -9.587 0.000) 9.892 5.463 ( 2.128 -0.584 0.000) 2.206 5.467 ( -0.995 -0.026 0.000) 0.995 5.583 ( -2.791 -1.942 0.000) 3.400 5.590 ( 1.770 2.969 0.000) 3.457 5.950 ( -12.067 6.689 0.000) 13.796 6.126 ( 2.289 0.502 0.000) 2.343 6.238 ( -0.114 4.998 0.000) 5.000 6.539 ( 1.239 7.936 0.000) 8.032 6.841 ( -19.682 28.904 0.000) 34.969 7.141 ( 0.883 24.201 0.000) 24.217 7.226 ( 2.182 2.581 0.000) 3.380 7.242 ( -8.003 23.198 0.000) 24.540 7.369 ( -3.264 2.480 0.000) 4.099 7.747 ( 1.222 -2.946 0.000) 3.189 7.837 ( -2.809 -4.226 0.000) 5.075 7.987 ( 2.693 -4.434 0.000) 5.187 7.990 ( 1.186 -0.646 0.000) 1.351 8.265 ( -0.129 3.807 0.000) 3.809 8.395 ( -7.302 5.127 0.000) 8.922 8.482 ( 1.633 -0.236 0.000) 1.650 8.659 ( -11.407 12.788 0.000) 17.136 8.894 ( -1.867 3.833 0.000) 4.264 8.956 ( -4.210 0.951 0.000) 4.316 9.227 ( 2.728 -3.909 0.000) 4.766 9.318 ( -0.190 -3.727 0.000) 3.732 9.432 ( 6.104 -3.440 0.000) 7.006 9.698 ( -4.340 -0.714 0.000) 4.398 9.816 ( 4.277 -2.310 0.000) 4.860 10.072 ( 3.546 0.260 0.000) 3.556 10.074 ( -5.346 -2.989 0.000) 6.125 10.287 ( -5.506 0.762 0.000) 5.558 10.504 ( 4.657 -0.396 0.000) 4.674 10.709 ( -5.245 2.277 0.000) 5.718 10.961 ( 6.701 -4.051 0.000) 7.831 11.299 ( -5.666 -6.515 0.000) 8.634 12.375 ( 5.015 4.629 0.000) 6.825 12.597 ( -3.252 2.747 0.000) 4.257 12.968 ( 6.129 -6.277 0.000) 8.773 13.083 ( -1.074 -0.649 0.000) 1.255 ======================= Grid point 7 (6/60) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -5.019 4.454 0.000) 6.710 0.744 ( 5.019 4.454 0.000) 6.710 0.933 ( -6.828 7.325 0.000) 10.014 0.933 ( 6.828 7.325 0.000) 10.014 1.342 ( -12.516 15.943 0.000) 20.269 1.342 ( 12.516 15.943 0.000) 20.269 1.823 ( -0.831 -5.248 0.000) 5.313 1.823 ( 0.831 -5.248 0.000) 5.313 1.941 ( -2.404 5.421 0.000) 5.930 1.941 ( 2.404 5.421 0.000) 5.930 2.094 ( -1.939 -1.285 0.000) 2.327 2.094 ( 1.939 -1.285 0.000) 2.327 2.199 ( -1.231 5.611 0.000) 5.745 2.199 ( 1.231 5.611 0.000) 5.745 2.397 ( -9.138 2.569 0.000) 9.492 2.397 ( 9.138 2.569 0.000) 9.492 2.710 ( -2.591 7.130 0.000) 7.586 2.710 ( 2.591 7.130 0.000) 7.586 2.874 ( -3.716 -2.137 0.000) 4.287 2.874 ( 3.716 -2.137 0.000) 4.287 2.970 ( -0.072 -3.226 0.000) 3.226 2.970 ( 0.072 -3.226 0.000) 3.226 3.096 ( -0.526 2.633 0.000) 2.685 3.096 ( 0.526 2.633 0.000) 2.685 3.433 ( -0.302 -4.813 0.000) 4.823 3.433 ( 0.302 -4.813 0.000) 4.823 3.493 ( -1.645 -1.451 0.000) 2.193 3.493 ( 1.645 -1.451 0.000) 2.193 3.606 ( -0.209 -0.256 0.000) 0.331 3.606 ( 0.209 -0.256 0.000) 0.331 3.743 ( -2.675 -4.399 0.000) 5.148 3.743 ( 2.675 -4.399 0.000) 5.148 3.803 ( -0.563 -0.564 0.000) 0.797 3.803 ( 0.563 -0.564 0.000) 0.797 3.914 ( -1.853 0.035 0.000) 1.853 3.914 ( 1.853 0.035 0.000) 1.853 4.024 ( -0.334 -3.981 0.000) 3.995 4.024 ( 0.334 -3.981 0.000) 3.995 4.219 ( -1.234 5.141 0.000) 5.286 4.219 ( 1.234 5.141 0.000) 5.286 4.255 ( -3.124 -4.282 0.000) 5.300 4.255 ( 3.124 -4.282 0.000) 5.300 4.360 ( -2.679 3.831 0.000) 4.674 4.360 ( 2.679 3.831 0.000) 4.674 4.606 ( -0.426 2.034 0.000) 2.078 4.606 ( 0.426 2.034 0.000) 2.078 4.767 ( -1.092 -1.684 0.000) 2.007 4.767 ( 1.092 -1.684 0.000) 2.007 4.894 ( -1.562 -1.602 0.000) 2.238 4.894 ( 1.562 -1.602 0.000) 2.238 4.984 ( -1.870 -1.068 0.000) 2.153 4.984 ( 1.870 -1.068 0.000) 2.153 5.059 ( -0.024 0.371 0.000) 0.372 5.059 ( 0.024 0.371 0.000) 0.372 5.246 ( -1.601 -3.059 0.000) 3.452 5.246 ( 1.601 -3.059 0.000) 3.452 5.408 ( -4.764 -7.964 0.000) 9.280 5.408 ( 4.764 -7.964 0.000) 9.280 5.512 ( -2.408 0.086 0.000) 2.410 5.512 ( 2.408 0.086 0.000) 2.410 5.699 ( -8.476 9.397 0.000) 12.655 5.699 ( 8.476 9.397 0.000) 12.655 6.192 ( -3.295 8.649 0.000) 9.255 6.192 ( 3.295 8.649 0.000) 9.255 6.590 ( -4.436 12.972 0.000) 13.709 6.590 ( 4.436 12.972 0.000) 13.709 7.168 ( -1.647 23.757 0.000) 23.814 7.168 ( 1.647 23.757 0.000) 23.814 7.291 ( -3.564 2.439 0.000) 4.318 7.291 ( 3.564 2.439 0.000) 4.318 7.785 ( -2.031 -4.013 0.000) 4.498 7.785 ( 2.031 -4.013 0.000) 4.498 8.011 ( -0.355 -2.515 0.000) 2.540 8.011 ( 0.355 -2.515 0.000) 2.540 8.296 ( -2.845 2.567 0.000) 3.832 8.296 ( 2.845 2.567 0.000) 3.832 8.529 ( -3.096 3.575 0.000) 4.729 8.529 ( 3.096 3.575 0.000) 4.729 8.884 ( -1.562 2.662 0.000) 3.086 8.884 ( 1.562 2.662 0.000) 3.086 9.292 ( -2.514 -5.594 0.000) 6.133 9.292 ( 2.514 -5.594 0.000) 6.133 9.577 ( -6.514 -1.364 0.000) 6.655 9.577 ( 6.514 -1.364 0.000) 6.655 9.938 ( -6.472 -2.406 0.000) 6.905 9.938 ( 6.472 -2.406 0.000) 6.905 10.169 ( -5.142 0.994 0.000) 5.237 10.169 ( 5.142 0.994 0.000) 5.237 10.606 ( -4.622 0.026 0.000) 4.622 10.606 ( 4.622 0.026 0.000) 4.622 11.135 ( -8.448 -5.227 0.000) 9.934 11.135 ( 8.448 -5.227 0.000) 9.934 12.498 ( -5.550 3.720 0.000) 6.681 12.498 ( 5.550 3.720 0.000) 6.681 13.048 ( -2.212 -2.488 0.000) 3.330 13.048 ( 2.212 -2.488 0.000) 3.330 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 0.000 19.291 0.000) 19.291 0.745 ( 0.000 19.337 0.000) 19.337 1.324 ( 0.000 0.483 0.000) 0.483 1.416 ( 0.000 6.955 0.000) 6.955 1.485 ( 0.000 -3.638 0.000) 3.638 1.521 ( 0.000 -2.682 0.000) 2.682 1.537 ( 0.000 15.141 0.000) 15.141 1.638 ( 0.000 2.203 0.000) 2.203 1.966 ( 0.000 -2.023 0.000) 2.023 1.986 ( 0.000 -5.011 0.000) 5.011 2.005 ( 0.000 6.923 0.000) 6.923 2.242 ( 0.000 7.981 0.000) 7.981 2.371 ( 0.000 8.152 0.000) 8.152 2.420 ( 0.000 11.499 0.000) 11.499 2.554 ( 0.000 -2.180 0.000) 2.180 2.618 ( 0.000 7.227 0.000) 7.227 2.625 ( 0.000 13.995 0.000) 13.995 2.778 ( 0.000 6.377 0.000) 6.377 2.884 ( 0.000 6.646 0.000) 6.646 3.022 ( 0.000 0.322 0.000) 0.322 3.026 ( 0.000 -2.555 0.000) 2.555 3.035 ( 0.000 -0.266 0.000) 0.266 3.196 ( 0.000 -1.878 0.000) 1.878 3.243 ( 0.000 0.677 0.000) 0.677 3.252 ( 0.000 -16.716 0.000) 16.716 3.305 ( 0.000 -7.217 0.000) 7.217 3.420 ( 0.000 -4.808 0.000) 4.808 3.469 ( 0.000 1.035 0.000) 1.035 3.471 ( 0.000 0.429 0.000) 0.429 3.521 ( 0.000 4.421 0.000) 4.421 3.606 ( 0.000 3.158 0.000) 3.158 3.741 ( 0.000 -5.928 0.000) 5.928 3.745 ( 0.000 -1.539 0.000) 1.539 3.788 ( 0.000 -5.464 0.000) 5.464 3.889 ( 0.000 1.373 0.000) 1.373 3.917 ( 0.000 -3.892 0.000) 3.892 3.974 ( 0.000 -0.457 0.000) 0.457 3.997 ( 0.000 -1.477 0.000) 1.477 4.135 ( 0.000 -7.519 0.000) 7.519 4.172 ( 0.000 -5.522 0.000) 5.522 4.173 ( 0.000 4.897 0.000) 4.897 4.239 ( 0.000 6.612 0.000) 6.612 4.416 ( 0.000 -1.019 0.000) 1.019 4.563 ( 0.000 6.612 0.000) 6.612 4.564 ( 0.000 0.146 0.000) 0.146 4.684 ( 0.000 -1.849 0.000) 1.849 4.727 ( 0.000 -0.325 0.000) 0.325 4.736 ( 0.000 6.510 0.000) 6.510 4.828 ( 0.000 -1.507 0.000) 1.507 4.854 ( 0.000 -6.812 0.000) 6.812 4.910 ( 0.000 1.174 0.000) 1.174 4.936 ( 0.000 -3.201 0.000) 3.201 5.032 ( 0.000 -2.656 0.000) 2.656 5.066 ( 0.000 -5.180 0.000) 5.180 5.140 ( 0.000 -5.193 0.000) 5.193 5.144 ( 0.000 -7.230 0.000) 7.230 5.215 ( 0.000 1.805 0.000) 1.805 5.405 ( 0.000 -2.110 0.000) 2.110 5.508 ( 0.000 0.093 0.000) 0.093 5.523 ( 0.000 -1.673 0.000) 1.673 5.650 ( 0.000 0.095 0.000) 0.095 5.962 ( 0.000 -8.928 0.000) 8.928 6.184 ( 0.000 2.757 0.000) 2.757 6.250 ( 0.000 6.693 0.000) 6.693 6.993 ( 0.000 34.831 0.000) 34.831 7.271 ( 0.000 4.541 0.000) 4.541 7.394 ( 0.000 7.194 0.000) 7.194 7.466 ( 0.000 -2.385 0.000) 2.385 7.470 ( 0.000 8.356 0.000) 8.356 7.546 ( 0.000 16.058 0.000) 16.058 7.660 ( 0.000 -4.769 0.000) 4.769 7.860 ( 0.000 0.819 0.000) 0.819 7.885 ( 0.000 2.873 0.000) 2.873 7.987 ( 0.000 5.898 0.000) 5.898 8.287 ( 0.000 -1.142 0.000) 1.142 8.444 ( 0.000 -1.585 0.000) 1.585 8.633 ( 0.000 3.189 0.000) 3.189 8.960 ( 0.000 -1.564 0.000) 1.564 9.014 ( 0.000 0.205 0.000) 0.205 9.047 ( 0.000 -0.725 0.000) 0.725 9.165 ( 0.000 -11.456 0.000) 11.456 9.181 ( 0.000 -2.749 0.000) 2.749 9.283 ( 0.000 -4.428 0.000) 4.428 9.635 ( 0.000 -8.487 0.000) 8.487 9.826 ( 0.000 3.980 0.000) 3.980 9.997 ( 0.000 -1.225 0.000) 1.225 10.102 ( 0.000 1.352 0.000) 1.352 10.398 ( 0.000 -1.170 0.000) 1.170 10.412 ( 0.000 1.522 0.000) 1.522 10.766 ( 0.000 -8.428 0.000) 8.428 10.871 ( 0.000 2.091 0.000) 2.091 11.201 ( 0.000 -8.133 0.000) 8.133 12.439 ( 0.000 7.240 0.000) 7.240 12.711 ( 0.000 5.897 0.000) 5.897 12.762 ( 0.000 -2.733 0.000) 2.733 13.076 ( 0.000 -2.339 0.000) 2.339 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 4.506 16.290 0.000) 16.902 0.805 ( 5.760 16.596 0.000) 17.568 1.158 ( -9.522 2.739 0.000) 9.908 1.293 ( -10.983 2.295 0.000) 11.220 1.493 ( 4.433 7.689 0.000) 8.876 1.608 ( 0.136 -5.854 0.000) 5.855 1.663 ( 6.998 5.153 0.000) 8.690 1.672 ( 4.336 0.824 0.000) 4.414 1.978 ( 0.422 -0.120 0.000) 0.439 2.007 ( 2.813 0.135 0.000) 2.817 2.022 ( 2.125 6.129 0.000) 6.487 2.221 ( -3.123 7.554 0.000) 8.174 2.353 ( 0.260 9.831 0.000) 9.835 2.412 ( -0.781 10.954 0.000) 10.982 2.490 ( -4.696 11.687 0.000) 12.595 2.550 ( -3.115 -3.761 0.000) 4.884 2.745 ( -0.038 4.121 0.000) 4.121 2.785 ( 7.369 7.768 0.000) 10.707 2.884 ( 1.017 8.564 0.000) 8.624 2.955 ( -5.435 -0.609 0.000) 5.469 3.002 ( -1.808 1.827 0.000) 2.571 3.007 ( -2.890 0.334 0.000) 2.909 3.144 ( -3.746 -3.832 0.000) 5.359 3.148 ( -2.255 -2.050 0.000) 3.048 3.312 ( 0.676 -8.223 0.000) 8.250 3.330 ( -0.123 -5.860 0.000) 5.861 3.430 ( 0.379 -1.902 0.000) 1.939 3.450 ( 2.159 -6.415 0.000) 6.768 3.563 ( 3.495 2.940 0.000) 4.567 3.579 ( -0.807 3.585 0.000) 3.675 3.593 ( 5.267 -1.208 0.000) 5.403 3.697 ( -2.955 -1.749 0.000) 3.433 3.739 ( -0.292 -5.633 0.000) 5.641 3.793 ( -0.323 -6.304 0.000) 6.312 3.895 ( 0.315 2.094 0.000) 2.117 3.921 ( -0.264 -3.045 0.000) 3.056 3.968 ( -0.501 -2.114 0.000) 2.173 3.976 ( -1.351 -1.046 0.000) 1.709 4.123 ( 0.218 -6.825 0.000) 6.829 4.169 ( -0.150 -5.809 0.000) 5.811 4.229 ( 3.943 3.907 0.000) 5.550 4.291 ( 3.376 5.779 0.000) 6.693 4.411 ( -0.610 0.317 0.000) 0.687 4.516 ( -3.590 4.698 0.000) 5.913 4.627 ( 3.734 1.850 0.000) 4.167 4.665 ( -1.894 1.647 0.000) 2.510 4.717 ( 2.411 -2.277 0.000) 3.316 4.793 ( 0.637 4.335 0.000) 4.382 4.807 ( -0.501 -4.209 0.000) 4.238 4.853 ( 1.681 -3.465 0.000) 3.852 4.893 ( -1.025 -0.609 0.000) 1.193 4.982 ( -2.642 -3.010 0.000) 4.005 4.997 ( 3.244 -2.309 0.000) 3.981 5.069 ( -0.580 -1.618 0.000) 1.718 5.119 ( -1.662 -8.451 0.000) 8.613 5.137 ( -0.944 -9.156 0.000) 9.204 5.246 ( 2.734 1.598 0.000) 3.167 5.431 ( 1.988 -2.541 0.000) 3.227 5.433 ( -4.727 -1.332 0.000) 4.911 5.528 ( -2.126 -3.215 0.000) 3.855 5.667 ( 4.416 4.079 0.000) 6.011 6.045 ( -9.192 5.747 0.000) 10.841 6.078 ( 8.262 -5.902 0.000) 10.154 6.297 ( 0.677 2.462 0.000) 2.553 7.010 ( 1.815 33.716 0.000) 33.765 7.292 ( 1.850 4.470 0.000) 4.838 7.299 ( -9.815 15.547 0.000) 18.386 7.391 ( -1.924 2.758 0.000) 3.363 7.505 ( 1.009 6.582 0.000) 6.659 7.543 ( -0.318 15.402 0.000) 15.405 7.669 ( 0.857 -4.163 0.000) 4.251 7.758 ( -4.170 -2.534 0.000) 4.879 8.004 ( 5.546 7.073 0.000) 8.988 8.031 ( 3.296 5.112 0.000) 6.082 8.300 ( 0.924 0.247 0.000) 0.956 8.462 ( 2.209 -2.102 0.000) 3.049 8.537 ( -8.350 6.788 0.000) 10.762 8.827 ( -15.599 4.883 0.000) 16.346 8.970 ( -0.512 3.700 0.000) 3.736 8.983 ( -2.465 1.372 0.000) 2.821 9.074 ( -0.432 -12.371 0.000) 12.378 9.211 ( -3.157 -5.873 0.000) 6.668 9.337 ( 7.696 -6.854 0.000) 10.306 9.607 ( -3.234 -8.888 0.000) 9.458 9.840 ( 2.535 4.762 0.000) 5.394 10.049 ( -4.394 1.910 0.000) 4.791 10.067 ( 4.875 -0.952 0.000) 4.967 10.300 ( -5.247 0.212 0.000) 5.251 10.500 ( 4.676 0.235 0.000) 4.682 10.758 ( -7.222 2.984 0.000) 7.814 10.836 ( 5.739 -8.874 0.000) 10.568 11.139 ( -5.571 -9.418 0.000) 10.943 12.494 ( 4.533 7.332 0.000) 8.620 12.683 ( -2.533 6.242 0.000) 6.736 12.866 ( 6.690 -4.773 0.000) 8.218 13.054 ( -2.038 -2.740 0.000) 3.415 ======================= Grid point 12 (9/60) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( -3.920 11.304 0.000) 11.964 0.902 ( 3.920 11.304 0.000) 11.964 1.060 ( -7.180 6.975 0.000) 10.010 1.060 ( 7.180 6.975 0.000) 10.010 1.575 ( -2.714 -0.182 0.000) 2.720 1.575 ( 2.714 -0.182 0.000) 2.720 1.737 ( -0.440 -2.866 0.000) 2.899 1.737 ( 0.440 -2.866 0.000) 2.899 2.021 ( -1.670 5.794 0.000) 6.029 2.021 ( 1.670 5.794 0.000) 6.029 2.117 ( -5.217 6.557 0.000) 8.379 2.117 ( 5.217 6.557 0.000) 8.379 2.386 ( -1.739 11.055 0.000) 11.191 2.386 ( 1.739 11.055 0.000) 11.191 2.449 ( -2.403 3.468 0.000) 4.219 2.449 ( 2.403 3.468 0.000) 4.219 2.821 ( -5.315 -0.218 0.000) 5.319 2.821 ( 5.315 -0.218 0.000) 5.319 2.920 ( -0.815 10.775 0.000) 10.806 2.920 ( 0.815 10.775 0.000) 10.806 2.945 ( -0.845 -0.217 0.000) 0.873 2.945 ( 0.845 -0.217 0.000) 0.873 3.110 ( -0.820 -1.463 0.000) 1.677 3.110 ( 0.820 -1.463 0.000) 1.677 3.316 ( -0.388 -6.549 0.000) 6.560 3.316 ( 0.388 -6.549 0.000) 6.560 3.452 ( -1.149 -3.303 0.000) 3.497 3.452 ( 1.149 -3.303 0.000) 3.497 3.619 ( -1.737 1.863 0.000) 2.547 3.619 ( 1.737 1.863 0.000) 2.547 3.637 ( -1.929 -4.135 0.000) 4.562 3.637 ( 1.929 -4.135 0.000) 4.562 3.764 ( -2.370 -5.728 0.000) 6.199 3.764 ( 2.370 -5.728 0.000) 6.199 3.904 ( -0.727 0.852 0.000) 1.120 3.904 ( 0.727 0.852 0.000) 1.120 3.959 ( -0.010 -3.283 0.000) 3.283 3.959 ( 0.010 -3.283 0.000) 3.283 4.149 ( -1.595 -6.490 0.000) 6.683 4.149 ( 1.595 -6.490 0.000) 6.683 4.313 ( -2.650 4.277 0.000) 5.031 4.313 ( 2.650 4.277 0.000) 5.031 4.430 ( -3.530 3.413 0.000) 4.910 4.430 ( 3.530 3.413 0.000) 4.910 4.653 ( -0.350 1.605 0.000) 1.643 4.653 ( 0.350 1.605 0.000) 1.643 4.765 ( -2.089 1.766 0.000) 2.735 4.765 ( 2.089 1.766 0.000) 2.735 4.860 ( -2.720 -1.486 0.000) 3.099 4.860 ( 2.720 -1.486 0.000) 3.099 4.913 ( -3.787 -5.716 0.000) 6.856 4.913 ( 3.787 -5.716 0.000) 6.856 5.046 ( -1.422 -1.042 0.000) 1.763 5.046 ( 1.422 -1.042 0.000) 1.763 5.109 ( -0.892 -9.830 0.000) 9.871 5.109 ( 0.892 -9.830 0.000) 9.871 5.325 ( -4.500 -0.125 0.000) 4.502 5.325 ( 4.500 -0.125 0.000) 4.502 5.478 ( -2.221 -2.893 0.000) 3.647 5.478 ( 2.221 -2.893 0.000) 3.647 5.829 ( -9.621 6.363 0.000) 11.535 5.829 ( 9.621 6.363 0.000) 11.535 6.243 ( -5.631 -1.812 0.000) 5.915 6.243 ( 5.631 -1.812 0.000) 5.915 7.097 ( -6.856 28.705 0.000) 29.512 7.097 ( 6.856 28.705 0.000) 29.512 7.343 ( -2.487 3.932 0.000) 4.653 7.343 ( 2.487 3.932 0.000) 4.653 7.528 ( -1.002 12.094 0.000) 12.136 7.528 ( 1.002 12.094 0.000) 12.136 7.695 ( -1.716 -4.353 0.000) 4.679 7.695 ( 1.716 -4.353 0.000) 4.679 8.080 ( -0.275 8.011 0.000) 8.015 8.080 ( 0.275 8.011 0.000) 8.015 8.353 ( -5.679 5.557 0.000) 7.945 8.353 ( 5.679 5.557 0.000) 7.945 8.569 ( -7.881 -0.139 0.000) 7.882 8.569 ( 7.881 -0.139 0.000) 7.882 8.949 ( -0.082 3.254 0.000) 3.255 8.949 ( 0.082 3.254 0.000) 3.255 9.135 ( -3.973 -9.906 0.000) 10.673 9.135 ( 3.973 -9.906 0.000) 10.673 9.495 ( -6.541 -7.936 0.000) 10.284 9.495 ( 6.541 -7.936 0.000) 10.284 9.935 ( -5.445 3.307 0.000) 6.370 9.935 ( 5.445 3.307 0.000) 6.370 10.181 ( -5.470 -0.060 0.000) 5.470 10.181 ( 5.470 -0.060 0.000) 5.470 10.615 ( -5.836 1.159 0.000) 5.950 10.615 ( 5.836 1.159 0.000) 5.950 10.987 ( -7.561 -9.647 0.000) 12.257 10.987 ( 7.561 -9.647 0.000) 12.257 12.602 ( -4.717 6.954 0.000) 8.403 12.602 ( 4.717 6.954 0.000) 8.403 12.987 ( -4.181 -3.967 0.000) 5.763 12.987 ( 4.181 -3.967 0.000) 5.763 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 17.860 0.000) 17.860 1.095 ( 0.000 16.212 0.000) 16.212 1.323 ( 0.000 -8.086 0.000) 8.086 1.377 ( 0.000 -10.950 0.000) 10.950 1.381 ( 0.000 6.145 0.000) 6.145 1.459 ( 0.000 1.436 0.000) 1.436 1.554 ( 0.000 -8.096 0.000) 8.096 1.572 ( 0.000 -11.707 0.000) 11.707 2.043 ( 0.000 5.755 0.000) 5.755 2.090 ( 0.000 1.256 0.000) 1.256 2.249 ( 0.000 23.253 0.000) 23.253 2.370 ( 0.000 5.169 0.000) 5.169 2.494 ( 0.000 -2.889 0.000) 2.889 2.517 ( 0.000 4.425 0.000) 4.425 2.624 ( 0.000 9.582 0.000) 9.582 2.720 ( 0.000 1.671 0.000) 1.671 2.766 ( 0.000 -3.138 0.000) 3.138 2.874 ( 0.000 -17.674 0.000) 17.674 2.881 ( 0.000 7.947 0.000) 7.947 2.942 ( 0.000 -4.509 0.000) 4.509 3.051 ( 0.000 5.284 0.000) 5.284 3.063 ( 0.000 1.110 0.000) 1.110 3.067 ( 0.000 3.896 0.000) 3.896 3.175 ( 0.000 -0.977 0.000) 0.977 3.208 ( 0.000 -2.267 0.000) 2.267 3.274 ( 0.000 -10.078 0.000) 10.078 3.303 ( 0.000 8.671 0.000) 8.671 3.448 ( 0.000 -3.762 0.000) 3.762 3.488 ( 0.000 2.587 0.000) 2.587 3.600 ( 0.000 -8.302 0.000) 8.302 3.658 ( 0.000 0.964 0.000) 0.964 3.673 ( 0.000 10.264 0.000) 10.264 3.693 ( 0.000 -2.877 0.000) 2.877 3.765 ( 0.000 4.730 0.000) 4.730 3.861 ( 0.000 -5.134 0.000) 5.134 3.869 ( 0.000 -3.990 0.000) 3.990 3.958 ( 0.000 -2.255 0.000) 2.255 3.961 ( 0.000 -6.609 0.000) 6.609 3.998 ( 0.000 2.738 0.000) 2.738 4.072 ( 0.000 -4.794 0.000) 4.794 4.293 ( 0.000 7.648 0.000) 7.648 4.355 ( 0.000 4.361 0.000) 4.361 4.397 ( 0.000 -0.865 0.000) 0.865 4.460 ( 0.000 -9.081 0.000) 9.081 4.673 ( 0.000 4.033 0.000) 4.033 4.713 ( 0.000 1.721 0.000) 1.721 4.756 ( 0.000 -1.162 0.000) 1.162 4.756 ( 0.000 4.331 0.000) 4.331 4.805 ( 0.000 -2.162 0.000) 2.162 4.821 ( 0.000 3.129 0.000) 3.129 4.903 ( 0.000 1.928 0.000) 1.928 4.914 ( 0.000 -7.313 0.000) 7.313 4.944 ( 0.000 -5.786 0.000) 5.786 4.996 ( 0.000 4.774 0.000) 4.774 5.007 ( 0.000 -7.057 0.000) 7.057 5.072 ( 0.000 -2.993 0.000) 2.993 5.278 ( 0.000 3.992 0.000) 3.992 5.351 ( 0.000 -3.430 0.000) 3.430 5.499 ( 0.000 -0.486 0.000) 0.486 5.502 ( 0.000 -0.721 0.000) 0.721 5.676 ( 0.000 3.597 0.000) 3.597 5.791 ( 0.000 -8.061 0.000) 8.061 6.273 ( 0.000 5.037 0.000) 5.037 6.325 ( 0.000 0.523 0.000) 0.523 7.374 ( 0.000 5.993 0.000) 5.993 7.444 ( 0.000 3.459 0.000) 3.459 7.450 ( 0.000 0.886 0.000) 0.886 7.458 ( 0.000 1.776 0.000) 1.776 7.538 ( 0.000 -0.492 0.000) 0.492 7.574 ( 0.000 -3.962 0.000) 3.962 7.799 ( 0.000 16.196 0.000) 16.196 7.919 ( 0.000 2.704 0.000) 2.704 8.073 ( 0.000 12.648 0.000) 12.648 8.229 ( 0.000 -4.917 0.000) 4.917 8.246 ( 0.000 18.049 0.000) 18.049 8.435 ( 0.000 4.304 0.000) 4.304 8.554 ( 0.000 -11.802 0.000) 11.802 8.726 ( 0.000 -20.314 0.000) 20.314 9.020 ( 0.000 0.513 0.000) 0.513 9.033 ( 0.000 -0.764 0.000) 0.764 9.065 ( 0.000 0.139 0.000) 0.139 9.106 ( 0.000 -3.842 0.000) 3.842 9.290 ( 0.000 5.688 0.000) 5.688 9.452 ( 0.000 -9.934 0.000) 9.934 9.905 ( 0.000 3.909 0.000) 3.909 9.965 ( 0.000 -2.308 0.000) 2.308 10.210 ( 0.000 8.775 0.000) 8.775 10.352 ( 0.000 -4.468 0.000) 4.468 10.456 ( 0.000 3.540 0.000) 3.540 10.580 ( 0.000 -9.603 0.000) 9.603 10.934 ( 0.000 4.597 0.000) 4.597 11.049 ( 0.000 -7.287 0.000) 7.287 12.576 ( 0.000 6.783 0.000) 6.783 12.689 ( 0.000 -4.911 0.000) 4.911 12.850 ( 0.000 8.106 0.000) 8.106 12.994 ( 0.000 -6.271 0.000) 6.271 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 0.799 15.986 0.000) 16.006 1.113 ( 2.066 13.769 0.000) 13.923 1.224 ( -5.111 2.452 0.000) 5.668 1.318 ( -4.709 -2.893 0.000) 5.526 1.444 ( 2.344 -2.196 0.000) 3.212 1.470 ( 0.403 -3.308 0.000) 3.333 1.567 ( 0.867 -9.221 0.000) 9.262 1.574 ( 0.145 -12.106 0.000) 12.107 2.089 ( 4.179 4.708 0.000) 6.295 2.113 ( 2.676 2.292 0.000) 3.524 2.255 ( -0.585 16.431 0.000) 16.442 2.362 ( -2.315 5.716 0.000) 6.167 2.484 ( -0.190 0.535 0.000) 0.567 2.524 ( 1.496 5.110 0.000) 5.325 2.607 ( -1.685 9.440 0.000) 9.589 2.681 ( -3.459 4.729 0.000) 5.859 2.752 ( 0.343 -0.995 0.000) 1.052 2.868 ( -1.617 1.015 0.000) 1.910 2.875 ( -0.096 -13.261 0.000) 13.261 2.909 ( -2.610 -4.417 0.000) 5.130 3.057 ( 0.310 0.913 0.000) 0.964 3.071 ( 1.207 6.251 0.000) 6.366 3.081 ( 1.523 1.384 0.000) 2.058 3.147 ( -0.117 1.980 0.000) 1.983 3.227 ( -0.116 -3.328 0.000) 3.330 3.291 ( -1.443 7.551 0.000) 7.688 3.317 ( 3.289 -7.716 0.000) 8.388 3.404 ( -1.791 -1.678 0.000) 2.454 3.547 ( 2.476 -1.977 0.000) 3.169 3.587 ( 0.019 -5.560 0.000) 5.560 3.617 ( -3.004 0.931 0.000) 3.145 3.672 ( -2.147 -5.100 0.000) 5.534 3.715 ( 2.093 8.151 0.000) 8.415 3.744 ( -1.110 6.412 0.000) 6.508 3.866 ( -0.075 -4.971 0.000) 4.971 3.901 ( 2.031 -3.639 0.000) 4.167 3.923 ( -2.404 -3.779 0.000) 4.479 3.963 ( 1.366 -5.112 0.000) 5.291 3.981 ( -1.446 2.963 0.000) 3.297 4.060 ( -1.032 -5.229 0.000) 5.330 4.332 ( 3.124 6.905 0.000) 7.579 4.385 ( 2.104 3.206 0.000) 3.834 4.411 ( 1.239 -0.110 0.000) 1.244 4.486 ( 1.149 -8.145 0.000) 8.225 4.657 ( 0.237 3.285 0.000) 3.293 4.701 ( -1.047 -1.215 0.000) 1.603 4.712 ( -2.723 4.952 0.000) 5.652 4.782 ( 2.456 2.142 0.000) 3.259 4.831 ( 1.688 -0.872 0.000) 1.900 4.838 ( -0.627 -1.530 0.000) 1.653 4.880 ( -2.200 -4.090 0.000) 4.644 4.912 ( -2.745 -4.370 0.000) 5.161 4.936 ( 2.547 -1.159 0.000) 2.798 4.991 ( -0.354 2.544 0.000) 2.569 4.996 ( -0.546 -5.120 0.000) 5.149 5.055 ( -1.388 -2.617 0.000) 2.962 5.300 ( 1.864 3.617 0.000) 4.069 5.371 ( 1.622 -3.586 0.000) 3.936 5.434 ( -3.875 1.148 0.000) 4.042 5.470 ( -2.615 -2.600 0.000) 3.688 5.770 ( 7.911 7.008 0.000) 10.569 5.928 ( 9.894 -8.916 0.000) 13.319 6.180 ( -7.427 7.544 0.000) 10.587 6.294 ( -3.878 -3.370 0.000) 5.138 7.384 ( 0.833 5.870 0.000) 5.929 7.435 ( -1.100 3.300 0.000) 3.479 7.447 ( 0.310 3.522 0.000) 3.535 7.460 ( -0.032 2.550 0.000) 2.550 7.563 ( 2.521 0.084 0.000) 2.523 7.610 ( 3.078 -2.968 0.000) 4.276 7.761 ( -3.372 10.700 0.000) 11.218 7.799 ( -6.668 5.059 0.000) 8.370 8.197 ( 5.635 9.060 0.000) 10.669 8.247 ( 0.147 16.379 0.000) 16.379 8.312 ( 8.192 -0.224 0.000) 8.195 8.434 ( 0.425 5.110 0.000) 5.128 8.527 ( -2.378 -9.454 0.000) 9.749 8.749 ( 2.308 -20.104 0.000) 20.236 8.895 ( -12.080 3.248 0.000) 12.509 8.959 ( -5.207 -3.447 0.000) 6.245 9.055 ( 0.927 5.111 0.000) 5.195 9.183 ( 5.044 -8.137 0.000) 9.574 9.215 ( -4.956 7.096 0.000) 8.656 9.405 ( -3.953 -11.274 0.000) 11.947 9.946 ( 3.558 5.436 0.000) 6.497 10.029 ( 4.928 -3.116 0.000) 5.831 10.155 ( -4.390 7.789 0.000) 8.941 10.275 ( -5.281 -3.588 0.000) 6.385 10.528 ( 5.194 3.308 0.000) 6.158 10.650 ( 5.562 -9.262 0.000) 10.804 10.834 ( -7.567 5.250 0.000) 9.210 10.964 ( -6.819 -8.338 0.000) 10.771 12.639 ( 4.924 7.421 0.000) 8.906 12.767 ( 5.804 -5.883 0.000) 8.264 12.825 ( -2.286 8.090 0.000) 8.407 12.968 ( -2.377 -6.256 0.000) 6.692 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -2.451 10.982 0.000) 11.252 1.133 ( 2.451 10.982 0.000) 11.252 1.201 ( -5.087 5.883 0.000) 7.778 1.201 ( 5.087 5.883 0.000) 7.778 1.471 ( -0.383 -4.275 0.000) 4.292 1.471 ( 0.383 -4.275 0.000) 4.292 1.577 ( -0.019 -11.586 0.000) 11.586 1.577 ( 0.019 -11.586 0.000) 11.586 2.188 ( -4.679 6.715 0.000) 8.184 2.188 ( 4.679 6.715 0.000) 8.184 2.237 ( -7.510 2.564 0.000) 7.936 2.237 ( 7.510 2.564 0.000) 7.936 2.540 ( -4.297 8.890 0.000) 9.874 2.540 ( 4.297 8.890 0.000) 9.874 2.591 ( -4.008 6.311 0.000) 7.476 2.591 ( 4.008 6.311 0.000) 7.476 2.801 ( -3.534 -0.980 0.000) 3.667 2.801 ( 3.534 -0.980 0.000) 3.667 2.875 ( -0.440 -7.606 0.000) 7.619 2.875 ( 0.440 -7.606 0.000) 7.619 3.078 ( -0.780 2.983 0.000) 3.083 3.078 ( 0.780 2.983 0.000) 3.083 3.130 ( -2.248 1.512 0.000) 2.709 3.130 ( 2.248 1.512 0.000) 2.709 3.246 ( -2.118 3.893 0.000) 4.432 3.246 ( 2.118 3.893 0.000) 4.432 3.373 ( -1.631 -5.236 0.000) 5.484 3.373 ( 1.631 -5.236 0.000) 5.484 3.565 ( -1.108 -0.934 0.000) 1.449 3.565 ( 1.108 -0.934 0.000) 1.449 3.625 ( -2.037 -6.735 0.000) 7.036 3.625 ( 2.037 -6.735 0.000) 7.036 3.731 ( -0.092 7.526 0.000) 7.527 3.731 ( 0.092 7.526 0.000) 7.527 3.876 ( -1.193 -6.150 0.000) 6.265 3.876 ( 1.193 -6.150 0.000) 6.265 3.942 ( -1.896 2.729 0.000) 3.323 3.942 ( 1.896 2.729 0.000) 3.323 4.020 ( -2.667 -5.939 0.000) 6.510 4.020 ( 2.667 -5.939 0.000) 6.510 4.394 ( -1.663 4.474 0.000) 4.773 4.394 ( 1.663 4.474 0.000) 4.773 4.462 ( -2.780 -1.235 0.000) 3.042 4.462 ( 2.780 -1.235 0.000) 3.042 4.670 ( -0.698 1.996 0.000) 2.115 4.670 ( 0.698 1.996 0.000) 2.115 4.751 ( -5.380 -5.378 0.000) 7.607 4.751 ( 5.380 -5.378 0.000) 7.607 4.838 ( -2.420 0.956 0.000) 2.602 4.838 ( 2.420 0.956 0.000) 2.602 4.866 ( -1.454 -0.305 0.000) 1.485 4.866 ( 1.454 -0.305 0.000) 1.485 4.977 ( -0.891 -1.454 0.000) 1.706 4.977 ( 0.891 -1.454 0.000) 1.706 5.014 ( -2.184 -2.711 0.000) 3.481 5.014 ( 2.184 -2.711 0.000) 3.481 5.355 ( -3.141 2.643 0.000) 4.105 5.355 ( 3.141 2.643 0.000) 4.105 5.415 ( -2.337 -3.433 0.000) 4.153 5.415 ( 2.337 -3.433 0.000) 4.153 5.979 ( -10.290 9.021 0.000) 13.685 5.979 ( 10.290 9.021 0.000) 13.685 6.147 ( -9.135 -7.706 0.000) 11.951 6.147 ( 9.135 -7.706 0.000) 11.951 7.408 ( -1.301 5.385 0.000) 5.540 7.408 ( 1.301 5.385 0.000) 5.540 7.456 ( -0.361 3.591 0.000) 3.609 7.456 ( 0.361 3.591 0.000) 3.609 7.650 ( -5.303 2.602 0.000) 5.907 7.650 ( 5.303 2.602 0.000) 5.907 7.692 ( -4.078 2.519 0.000) 4.793 7.692 ( 4.078 2.519 0.000) 4.793 8.250 ( -0.241 11.751 0.000) 11.754 8.250 ( 0.241 11.751 0.000) 11.754 8.462 ( -3.147 -5.295 0.000) 6.160 8.462 ( 3.147 -5.295 0.000) 6.160 8.584 ( -14.264 10.099 0.000) 17.477 8.584 ( 14.264 10.099 0.000) 17.477 8.834 ( -5.365 -13.749 0.000) 14.758 8.834 ( 5.365 -13.749 0.000) 14.758 9.113 ( -4.041 7.400 0.000) 8.432 9.113 ( 4.041 7.400 0.000) 8.432 9.300 ( -5.361 -11.137 0.000) 12.360 9.300 ( 5.361 -11.137 0.000) 12.360 10.045 ( -5.184 6.841 0.000) 8.583 10.045 ( 5.184 6.841 0.000) 8.583 10.151 ( -5.842 -3.540 0.000) 6.831 10.151 ( 5.842 -3.540 0.000) 6.831 10.665 ( -7.233 4.517 0.000) 8.527 10.665 ( 7.233 4.517 0.000) 8.527 10.798 ( -7.650 -9.181 0.000) 11.951 10.798 ( 7.650 -9.181 0.000) 11.951 12.750 ( -4.581 7.977 0.000) 9.199 12.750 ( 4.581 7.977 0.000) 9.199 12.890 ( -4.796 -6.304 0.000) 7.922 12.890 ( 4.796 -6.304 0.000) 7.922 ======================= Grid point 35 (13/60) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.295 ( 0.000 0.000 15.153) 15.153 0.359 ( 0.000 0.000 18.421) 18.421 0.607 ( 0.000 0.000 30.974) 30.974 1.198 ( 0.000 0.000 2.616) 2.616 1.352 ( 0.000 0.000 -1.268) 1.268 1.536 ( 0.000 0.000 -4.393) 4.393 1.683 ( 0.000 0.000 0.380) 0.380 1.694 ( 0.000 0.000 -5.010) 5.010 1.747 ( 0.000 0.000 -15.075) 15.075 1.799 ( 0.000 0.000 2.321) 2.321 1.883 ( 0.000 0.000 -14.120) 14.120 2.188 ( 0.000 0.000 -11.591) 11.591 2.209 ( 0.000 0.000 0.972) 0.972 2.265 ( 0.000 0.000 2.376) 2.376 2.341 ( 0.000 0.000 10.551) 10.551 2.462 ( 0.000 0.000 11.518) 11.518 2.549 ( 0.000 0.000 4.794) 4.794 2.668 ( 0.000 0.000 -8.378) 8.378 2.791 ( 0.000 0.000 0.030) 0.030 2.933 ( 0.000 0.000 -5.622) 5.622 3.070 ( 0.000 0.000 -2.825) 2.825 3.121 ( 0.000 0.000 3.511) 3.511 3.209 ( 0.000 0.000 0.792) 0.792 3.209 ( 0.000 0.000 -3.675) 3.675 3.322 ( 0.000 0.000 -9.011) 9.011 3.381 ( 0.000 0.000 -9.609) 9.609 3.446 ( 0.000 0.000 -1.651) 1.651 3.459 ( 0.000 0.000 -4.147) 4.147 3.585 ( 0.000 0.000 5.102) 5.102 3.630 ( 0.000 0.000 -0.101) 0.101 3.668 ( 0.000 0.000 -4.578) 4.578 3.689 ( 0.000 0.000 -2.050) 2.050 3.770 ( 0.000 0.000 -6.794) 6.794 3.833 ( 0.000 0.000 -1.155) 1.155 3.898 ( 0.000 0.000 4.375) 4.375 3.949 ( 0.000 0.000 4.030) 4.030 4.040 ( 0.000 0.000 -2.861) 2.861 4.043 ( 0.000 0.000 -12.947) 12.947 4.111 ( 0.000 0.000 2.734) 2.734 4.118 ( 0.000 0.000 3.366) 3.366 4.147 ( 0.000 0.000 3.862) 3.862 4.254 ( 0.000 0.000 -6.794) 6.794 4.313 ( 0.000 0.000 2.130) 2.130 4.433 ( 0.000 0.000 1.951) 1.951 4.533 ( 0.000 0.000 -4.755) 4.755 4.576 ( 0.000 0.000 -1.562) 1.562 4.834 ( 0.000 0.000 -0.935) 0.935 4.886 ( 0.000 0.000 1.714) 1.714 4.912 ( 0.000 0.000 1.863) 1.863 4.978 ( 0.000 0.000 3.405) 3.405 4.982 ( 0.000 0.000 9.899) 9.899 5.002 ( 0.000 0.000 6.428) 6.428 5.025 ( 0.000 0.000 -2.837) 2.837 5.059 ( 0.000 0.000 4.380) 4.380 5.161 ( 0.000 0.000 -5.612) 5.612 5.171 ( 0.000 0.000 1.335) 1.335 5.215 ( 0.000 0.000 -9.993) 9.993 5.372 ( 0.000 0.000 -2.424) 2.424 5.603 ( 0.000 0.000 6.917) 6.917 5.620 ( 0.000 0.000 3.338) 3.338 5.628 ( 0.000 0.000 10.139) 10.139 5.651 ( 0.000 0.000 3.927) 3.927 6.050 ( 0.000 0.000 2.426) 2.426 6.141 ( 0.000 0.000 -0.832) 0.832 6.620 ( 0.000 0.000 0.728) 0.728 6.677 ( 0.000 0.000 0.690) 0.690 6.755 ( 0.000 0.000 -0.093) 0.093 6.791 ( 0.000 0.000 -0.228) 0.228 7.327 ( 0.000 0.000 -1.386) 1.386 7.398 ( 0.000 0.000 0.791) 0.791 7.551 ( 0.000 0.000 -3.975) 3.975 7.668 ( 0.000 0.000 -3.680) 3.680 7.972 ( 0.000 0.000 1.721) 1.721 8.022 ( 0.000 0.000 1.698) 1.698 8.236 ( 0.000 0.000 -0.029) 0.029 8.400 ( 0.000 0.000 -3.202) 3.202 8.471 ( 0.000 0.000 0.122) 0.122 8.616 ( 0.000 0.000 -3.593) 3.593 9.027 ( 0.000 0.000 -0.346) 0.346 9.043 ( 0.000 0.000 3.269) 3.269 9.370 ( 0.000 0.000 13.130) 13.130 9.424 ( 0.000 0.000 0.624) 0.624 9.435 ( 0.000 0.000 2.202) 2.202 9.727 ( 0.000 0.000 -2.294) 2.294 9.749 ( 0.000 0.000 -6.067) 6.067 9.968 ( 0.000 0.000 -3.324) 3.324 10.166 ( 0.000 0.000 -1.412) 1.412 10.328 ( 0.000 0.000 -0.649) 0.649 10.426 ( 0.000 0.000 3.932) 3.932 10.558 ( 0.000 0.000 5.541) 5.541 10.862 ( 0.000 0.000 2.563) 2.563 12.130 ( 0.000 0.000 -8.774) 8.774 12.441 ( 0.000 0.000 6.578) 6.578 12.604 ( 0.000 0.000 -0.925) 0.925 12.815 ( 0.000 0.000 0.863) 0.863 13.107 ( 0.000 0.000 -1.914) 1.914 ======================= Grid point 36 (14/60) ======================= q-point: ( 0.25 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( 12.529 0.000 8.836) 15.331 0.546 ( 13.644 0.000 10.966) 17.505 0.828 ( 14.322 0.000 18.207) 23.165 1.096 ( -8.505 0.000 3.169) 9.076 1.154 ( -10.379 0.000 2.476) 10.670 1.571 ( -8.540 0.000 4.017) 9.438 1.699 ( -0.236 0.000 -11.773) 11.776 1.713 ( 8.223 0.000 -4.995) 9.622 1.770 ( -0.057 0.000 -9.261) 9.262 1.845 ( 2.476 0.000 -0.929) 2.644 1.898 ( 4.086 0.000 -11.698) 12.391 2.141 ( -3.512 0.000 -4.329) 5.575 2.204 ( 0.167 0.000 1.871) 1.878 2.255 ( -0.878 0.000 2.726) 2.864 2.386 ( -0.160 0.000 10.609) 10.610 2.451 ( 4.952 0.000 1.876) 5.296 2.584 ( -2.666 0.000 -1.896) 3.271 2.668 ( 2.300 0.000 -9.248) 9.530 2.704 ( -4.308 0.000 5.372) 6.885 2.880 ( -4.813 0.000 -8.586) 9.843 3.043 ( -0.398 0.000 -0.452) 0.603 3.097 ( -1.268 0.000 3.811) 4.016 3.166 ( -3.232 0.000 -1.165) 3.436 3.185 ( -3.194 0.000 1.056) 3.364 3.356 ( 3.058 0.000 -9.333) 9.821 3.399 ( 2.029 0.000 -7.126) 7.409 3.450 ( 0.916 0.000 -5.735) 5.808 3.541 ( 0.523 0.000 1.006) 1.134 3.552 ( -2.768 0.000 -2.023) 3.428 3.583 ( -3.542 0.000 -1.197) 3.739 3.602 ( 2.888 0.000 -4.755) 5.563 3.735 ( 3.463 0.000 -3.090) 4.641 3.805 ( -2.432 0.000 -0.839) 2.573 3.812 ( 0.876 0.000 -5.656) 5.723 3.906 ( 0.899 0.000 3.334) 3.453 3.953 ( -0.110 0.000 3.934) 3.935 4.018 ( -0.853 0.000 -6.938) 6.990 4.040 ( -0.670 0.000 -6.677) 6.710 4.129 ( 1.806 0.000 2.525) 3.105 4.173 ( 3.461 0.000 3.809) 5.146 4.177 ( 3.999 0.000 0.365) 4.016 4.297 ( -0.788 0.000 2.411) 2.536 4.308 ( 0.632 0.000 -4.119) 4.167 4.412 ( -2.078 0.000 2.453) 3.215 4.543 ( 1.225 0.000 -3.641) 3.841 4.685 ( 0.875 0.000 -0.711) 1.128 4.834 ( -3.313 0.000 5.427) 6.358 4.867 ( 2.736 0.000 -1.441) 3.092 4.890 ( -1.401 0.000 1.950) 2.401 4.986 ( -0.465 0.000 5.499) 5.519 4.992 ( 1.322 0.000 3.415) 3.662 4.993 ( -2.323 0.000 -3.213) 3.965 4.993 ( -0.601 0.000 4.753) 4.791 5.112 ( -2.322 0.000 1.100) 2.570 5.186 ( -0.990 0.000 -7.113) 7.181 5.213 ( -0.175 0.000 -7.476) 7.478 5.234 ( 10.113 0.000 -3.707) 10.771 5.375 ( 0.431 0.000 -2.489) 2.526 5.608 ( 0.785 0.000 8.361) 8.398 5.626 ( 1.166 0.000 7.191) 7.285 5.636 ( 1.036 0.000 3.167) 3.332 5.687 ( 0.695 0.000 7.015) 7.049 6.047 ( 0.087 0.000 0.582) 0.589 6.116 ( -2.034 0.000 -0.333) 2.061 6.634 ( 1.106 0.000 0.616) 1.266 6.673 ( -0.374 0.000 0.623) 0.726 6.761 ( 0.474 0.000 -0.188) 0.510 6.783 ( -0.502 0.000 -0.243) 0.558 7.247 ( -1.317 0.000 2.683) 2.989 7.350 ( -3.176 0.000 0.364) 3.197 7.681 ( 2.429 0.000 -11.373) 11.629 7.691 ( 2.650 0.000 -5.488) 6.095 8.044 ( 1.858 0.000 1.557) 2.424 8.056 ( 7.216 0.000 0.011) 7.216 8.180 ( -3.860 0.000 0.301) 3.872 8.431 ( 2.022 0.000 -2.308) 3.068 8.450 ( -10.162 0.000 0.338) 10.168 8.480 ( 0.364 0.000 -0.588) 0.692 8.982 ( -1.328 0.000 6.000) 6.146 9.080 ( -5.024 0.000 9.317) 10.585 9.263 ( 1.404 0.000 2.636) 2.986 9.386 ( -1.130 0.000 2.599) 2.834 9.468 ( 3.843 0.000 0.092) 3.844 9.684 ( -3.825 0.000 -1.963) 4.300 9.852 ( 5.180 0.000 0.318) 5.190 10.016 ( 3.163 0.000 -3.573) 4.772 10.095 ( -3.740 0.000 -0.651) 3.796 10.278 ( -5.516 0.000 0.457) 5.535 10.523 ( 5.431 0.000 1.223) 5.567 10.682 ( 2.662 0.000 1.614) 3.113 10.922 ( 9.558 0.000 0.070) 9.558 11.650 ( -24.299 0.000 11.291) 26.794 12.402 ( 3.260 0.000 6.649) 7.405 12.581 ( -2.707 0.000 0.673) 2.790 12.983 ( 4.813 0.000 -5.016) 6.952 13.084 ( -1.547 0.000 -1.535) 2.179 ======================= Grid point 37 (15/60) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -13.914 0.000 3.475) 14.342 0.764 ( 13.914 0.000 3.475) 14.342 0.853 ( -13.302 0.000 5.363) 14.342 0.853 ( 13.302 0.000 5.363) 14.342 1.295 ( -15.661 0.000 10.279) 18.733 1.295 ( 15.661 0.000 10.279) 18.733 1.721 ( -2.473 0.000 -11.478) 11.741 1.721 ( 2.473 0.000 -11.478) 11.741 1.846 ( -3.170 0.000 -4.616) 5.599 1.846 ( 3.170 0.000 -4.616) 5.599 2.039 ( -6.238 0.000 -5.461) 8.291 2.039 ( 6.238 0.000 -5.461) 8.291 2.225 ( -1.616 0.000 3.525) 3.877 2.225 ( 1.616 0.000 3.525) 3.877 2.428 ( -5.082 0.000 5.634) 7.587 2.428 ( 5.082 0.000 5.634) 7.587 2.613 ( -5.784 0.000 -1.515) 5.979 2.613 ( 5.784 0.000 -1.515) 5.979 2.759 ( -5.450 0.000 -10.174) 11.542 2.759 ( 5.450 0.000 -10.174) 11.542 3.086 ( -3.617 0.000 2.624) 4.469 3.086 ( 3.617 0.000 2.624) 4.469 3.109 ( -2.619 0.000 2.925) 3.926 3.109 ( 2.619 0.000 2.925) 3.926 3.448 ( -5.069 0.000 -5.888) 7.770 3.448 ( 5.069 0.000 -5.888) 7.770 3.458 ( -2.262 0.000 -4.260) 4.823 3.458 ( 2.262 0.000 -4.260) 4.823 3.519 ( -1.718 0.000 -5.857) 6.103 3.519 ( 1.718 0.000 -5.857) 6.103 3.727 ( -4.872 0.000 -2.208) 5.349 3.727 ( 4.872 0.000 -2.208) 5.349 3.799 ( -1.999 0.000 -4.666) 5.077 3.799 ( 1.999 0.000 -4.666) 5.077 3.935 ( -1.412 0.000 3.463) 3.740 3.935 ( 1.412 0.000 3.463) 3.740 4.019 ( -0.889 0.000 -5.659) 5.729 4.019 ( 0.889 0.000 -5.659) 5.729 4.181 ( -2.369 0.000 2.785) 3.656 4.181 ( 2.369 0.000 2.785) 3.656 4.273 ( -3.694 0.000 -2.566) 4.498 4.273 ( 3.694 0.000 -2.566) 4.498 4.340 ( -4.100 0.000 3.279) 5.250 4.340 ( 4.100 0.000 3.279) 5.250 4.608 ( -4.707 0.000 1.195) 4.856 4.608 ( 4.707 0.000 1.195) 4.856 4.838 ( -2.394 0.000 3.239) 4.027 4.838 ( 2.394 0.000 3.239) 4.027 4.934 ( -3.005 0.000 -2.504) 3.912 4.934 ( 3.005 0.000 -2.504) 3.912 4.985 ( -0.330 0.000 5.264) 5.274 4.985 ( 0.330 0.000 5.264) 5.274 5.047 ( -3.381 0.000 2.613) 4.273 5.047 ( 3.381 0.000 2.613) 4.273 5.187 ( -1.308 0.000 -7.204) 7.321 5.187 ( 1.308 0.000 -7.204) 7.321 5.364 ( -2.372 0.000 -3.369) 4.121 5.364 ( 2.372 0.000 -3.369) 4.121 5.644 ( -0.342 0.000 5.824) 5.834 5.644 ( 0.342 0.000 5.824) 5.834 5.659 ( -2.806 0.000 7.869) 8.354 5.659 ( 2.806 0.000 7.869) 8.354 6.069 ( -1.921 0.000 -0.419) 1.966 6.069 ( 1.921 0.000 -0.419) 1.966 6.659 ( -0.972 0.000 0.542) 1.113 6.659 ( 0.972 0.000 0.542) 1.113 6.772 ( -0.510 0.000 -0.320) 0.603 6.772 ( 0.510 0.000 -0.320) 0.603 7.276 ( -3.040 0.000 0.801) 3.144 7.276 ( 3.040 0.000 0.801) 3.144 7.709 ( -0.679 0.000 -8.259) 8.286 7.709 ( 0.679 0.000 -8.259) 8.286 8.100 ( -3.235 0.000 1.073) 3.408 8.100 ( 3.235 0.000 1.073) 3.408 8.241 ( -9.120 0.000 -0.288) 9.124 8.241 ( 9.120 0.000 -0.288) 9.124 8.470 ( -1.307 0.000 -1.402) 1.917 8.470 ( 1.307 0.000 -1.402) 1.917 8.981 ( -2.094 0.000 9.229) 9.464 8.981 ( 2.094 0.000 9.229) 9.464 9.343 ( -3.274 0.000 -0.289) 3.287 9.343 ( 3.274 0.000 -0.289) 3.287 9.576 ( -5.516 0.000 -1.041) 5.613 9.576 ( 5.516 0.000 -1.041) 5.613 9.966 ( -5.255 0.000 0.213) 5.259 9.966 ( 5.255 0.000 0.213) 5.259 10.147 ( -5.897 0.000 -0.166) 5.900 10.147 ( 5.897 0.000 -0.166) 5.900 10.632 ( -4.516 0.000 2.116) 4.987 10.632 ( 4.516 0.000 2.116) 4.987 11.228 ( -16.238 0.000 3.710) 16.656 11.228 ( 16.238 0.000 3.710) 16.656 12.498 ( -4.624 0.000 3.144) 5.592 12.498 ( 4.624 0.000 3.144) 5.592 13.047 ( -1.950 0.000 -2.602) 3.251 13.047 ( 1.950 0.000 -2.602) 3.251 ======================= Grid point 40 (16/60) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( 0.000 14.981 9.029) 17.491 0.514 ( 0.000 12.580 14.046) 18.856 0.983 ( 0.000 30.756 16.468) 34.887 1.318 ( 0.000 0.188 -1.209) 1.224 1.376 ( 0.000 13.017 2.881) 13.332 1.491 ( 0.000 -3.812 -4.381) 5.807 1.607 ( 0.000 -4.146 0.179) 4.150 1.722 ( 0.000 -6.004 1.755) 6.255 1.805 ( 0.000 7.333 -4.924) 8.832 1.824 ( 0.000 6.601 -13.722) 15.227 2.000 ( 0.000 10.094 -13.256) 16.662 2.139 ( 0.000 -5.480 0.770) 5.533 2.182 ( 0.000 -6.011 3.297) 6.856 2.323 ( 0.000 11.113 -8.946) 14.266 2.407 ( 0.000 6.299 9.952) 11.778 2.534 ( 0.000 -2.814 -4.828) 5.588 2.560 ( 0.000 8.052 10.217) 13.009 2.655 ( 0.000 4.434 0.703) 4.490 2.814 ( 0.000 0.771 -1.426) 1.621 2.933 ( 0.000 0.047 -5.440) 5.440 3.099 ( 0.000 -0.975 -0.615) 1.153 3.110 ( 0.000 -1.001 3.058) 3.218 3.160 ( 0.000 0.902 -1.599) 1.836 3.231 ( 0.000 -0.750 -0.065) 0.753 3.301 ( 0.000 -2.901 -9.273) 9.716 3.359 ( 0.000 0.494 -7.219) 7.236 3.424 ( 0.000 -0.461 -5.486) 5.506 3.449 ( 0.000 -0.939 -1.219) 1.539 3.545 ( 0.000 -6.934 1.534) 7.102 3.578 ( 0.000 -0.714 2.939) 3.024 3.614 ( 0.000 -1.539 3.844) 4.141 3.671 ( 0.000 -0.078 -6.311) 6.312 3.750 ( 0.000 -1.974 -5.365) 5.716 3.844 ( 0.000 -1.029 -1.458) 1.784 3.877 ( 0.000 -3.167 -1.907) 3.697 3.994 ( 0.000 -2.832 -2.086) 3.517 4.015 ( 0.000 -1.080 -1.029) 1.492 4.017 ( 0.000 2.191 0.232) 2.203 4.087 ( 0.000 -3.330 1.847) 3.808 4.133 ( 0.000 0.147 -2.935) 2.938 4.220 ( 0.000 5.510 5.212) 7.584 4.226 ( 0.000 -2.481 -4.762) 5.369 4.346 ( 0.000 1.005 -3.131) 3.289 4.481 ( 0.000 4.307 1.889) 4.703 4.558 ( 0.000 1.585 1.216) 1.998 4.589 ( 0.000 4.095 -2.524) 4.810 4.776 ( 0.000 -2.172 3.602) 4.206 4.824 ( 0.000 -1.330 4.576) 4.765 4.873 ( 0.000 -1.646 1.748) 2.400 4.921 ( 0.000 -4.505 1.951) 4.909 4.995 ( 0.000 0.486 4.399) 4.426 5.004 ( 0.000 -4.260 0.810) 4.337 5.074 ( 0.000 0.926 2.189) 2.377 5.103 ( 0.000 4.786 1.604) 5.048 5.149 ( 0.000 -0.543 -2.769) 2.822 5.197 ( 0.000 -1.084 -8.062) 8.135 5.295 ( 0.000 -7.448 -0.697) 7.481 5.411 ( 0.000 -3.797 3.869) 5.421 5.600 ( 0.000 0.080 5.038) 5.039 5.609 ( 0.000 -0.639 4.139) 4.188 5.662 ( 0.000 1.330 3.385) 3.637 6.073 ( 0.000 -2.256 -3.417) 4.094 6.119 ( 0.000 6.399 1.274) 6.525 6.174 ( 0.000 5.789 -3.414) 6.721 6.535 ( 0.000 7.953 1.051) 8.022 6.884 ( 0.000 29.601 -20.003) 35.726 7.131 ( 0.000 24.479 0.000) 24.479 7.159 ( 0.000 17.020 -2.355) 17.182 7.399 ( 0.000 2.449 -1.063) 2.670 7.501 ( 0.000 17.908 -16.973) 24.673 7.518 ( 0.000 -3.152 -3.908) 5.021 7.653 ( 0.000 -1.431 -2.668) 3.028 7.936 ( 0.000 -3.194 1.087) 3.374 7.998 ( 0.000 -2.000 2.131) 2.923 8.192 ( 0.000 -0.974 -2.590) 2.767 8.407 ( 0.000 0.231 -3.990) 3.997 8.532 ( 0.000 5.719 0.225) 5.723 8.663 ( 0.000 4.126 -9.580) 10.431 9.041 ( 0.000 1.175 0.343) 1.224 9.053 ( 0.000 0.830 3.731) 3.822 9.357 ( 0.000 -1.584 12.834) 12.932 9.358 ( 0.000 -6.897 0.736) 6.936 9.389 ( 0.000 -4.679 0.983) 4.781 9.739 ( 0.000 -2.377 -3.425) 4.169 9.750 ( 0.000 2.310 -1.506) 2.758 9.950 ( 0.000 -1.393 -4.608) 4.814 10.128 ( 0.000 -3.210 -1.269) 3.452 10.374 ( 0.000 1.937 -2.810) 3.413 10.426 ( 0.000 0.149 3.609) 3.612 10.642 ( 0.000 6.681 -1.167) 6.782 10.866 ( 0.000 0.494 2.271) 2.324 11.794 ( 0.000 -26.174 9.578) 27.872 12.408 ( 0.000 1.685 7.931) 8.108 12.623 ( 0.000 2.221 -1.005) 2.438 12.809 ( 0.000 -0.754 1.187) 1.406 13.089 ( 0.000 -0.743 -0.994) 1.242 ======================= Grid point 41 (17/60) ======================= q-point: ( 0.25 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 8.849 11.781 7.479) 16.523 0.647 ( 10.986 8.304 11.642) 18.033 1.081 ( -1.938 14.907 4.439) 15.674 1.181 ( 2.114 11.109 7.769) 13.720 1.246 ( -10.023 10.317 4.421) 15.048 1.567 ( -3.386 1.534 2.655) 4.569 1.651 ( 6.444 -4.641 -5.117) 9.447 1.753 ( 2.993 -1.724 -3.112) 4.649 1.793 ( 0.113 4.605 -9.616) 10.663 1.873 ( 0.690 5.824 -7.094) 9.204 1.987 ( 1.207 8.405 -12.558) 15.159 2.132 ( 0.516 -4.560 2.830) 5.392 2.185 ( -0.613 -3.704 3.055) 4.840 2.259 ( -3.472 6.812 -2.145) 7.941 2.454 ( -1.376 5.592 8.994) 10.680 2.529 ( 5.950 6.291 -0.646) 8.683 2.563 ( -2.487 -0.365 -2.780) 3.748 2.694 ( 0.775 4.651 -4.748) 6.691 2.761 ( -1.505 3.157 3.227) 4.759 2.877 ( -5.103 1.161 -6.002) 7.964 3.032 ( -2.522 -1.581 0.469) 3.013 3.090 ( -2.283 -3.349 2.457) 4.740 3.127 ( -1.602 1.678 0.715) 2.428 3.197 ( -2.447 -0.105 0.703) 2.548 3.335 ( 2.495 -2.484 -8.190) 8.915 3.379 ( 1.683 -1.373 -5.682) 6.083 3.416 ( 0.332 -2.941 -6.176) 6.849 3.532 ( -3.902 -1.812 -3.928) 5.826 3.556 ( -0.603 -1.486 -2.175) 2.702 3.564 ( -1.814 -0.358 3.251) 3.740 3.580 ( 7.646 -0.646 -1.800) 7.881 3.713 ( 1.538 -1.641 -2.507) 3.368 3.764 ( 1.911 -3.056 -5.813) 6.840 3.826 ( -1.456 -0.090 -0.685) 1.611 3.886 ( 0.978 -3.527 -1.036) 3.804 3.977 ( -2.391 -0.596 -1.018) 2.666 3.992 ( -0.748 -2.258 -2.445) 3.411 4.005 ( -1.082 -0.805 0.302) 1.382 4.124 ( 3.318 -2.448 -1.674) 4.450 4.169 ( 2.596 2.401 -0.025) 3.536 4.240 ( 0.794 -2.084 -1.562) 2.723 4.254 ( 1.680 2.115 1.713) 3.198 4.342 ( 0.196 2.488 -0.685) 2.588 4.463 ( -1.926 4.323 2.610) 5.405 4.577 ( 0.922 3.683 -1.221) 3.989 4.635 ( 1.966 -1.485 -0.003) 2.463 4.763 ( 0.112 -2.586 2.642) 3.699 4.826 ( -1.509 -2.078 2.952) 3.913 4.899 ( 2.491 0.040 2.202) 3.325 4.932 ( 1.086 -4.274 1.929) 4.813 4.981 ( -0.934 -1.006 4.535) 4.738 4.994 ( -0.978 -2.597 0.084) 2.776 5.080 ( 1.684 -0.608 2.704) 3.243 5.098 ( -0.125 4.133 3.040) 5.132 5.155 ( 0.121 -0.209 -5.025) 5.030 5.188 ( -0.329 -1.137 -6.263) 6.374 5.320 ( 1.822 -6.324 -1.085) 6.670 5.420 ( -0.032 -4.581 0.550) 4.614 5.556 ( -1.615 0.574 4.076) 4.422 5.634 ( -2.304 -0.064 4.645) 5.186 5.666 ( 3.232 0.052 5.814) 6.652 5.956 ( -9.118 10.592 0.819) 14.000 6.117 ( 1.610 0.323 -0.880) 1.863 6.202 ( 0.344 9.765 -3.199) 10.281 6.549 ( 1.202 8.062 1.008) 8.213 6.734 ( -9.799 26.014 -8.419) 29.045 7.139 ( 0.657 24.184 -0.262) 24.194 7.163 ( 0.165 19.373 -2.579) 19.544 7.295 ( -3.780 7.502 1.531) 8.539 7.365 ( -2.881 1.734 0.286) 3.375 7.660 ( 1.962 -1.574 -9.639) 9.961 7.681 ( 1.894 -0.570 -6.354) 6.655 7.967 ( 2.238 -3.871 0.289) 4.481 8.041 ( 1.818 -2.730 1.991) 3.837 8.185 ( 1.382 1.832 -2.850) 3.660 8.418 ( -0.834 0.169 -1.709) 1.909 8.471 ( -4.696 1.234 -0.403) 4.872 8.546 ( -4.501 5.124 -5.065) 8.495 9.006 ( -0.757 2.093 6.033) 6.431 9.106 ( -2.662 1.772 7.928) 8.548 9.245 ( -1.398 -3.323 3.505) 5.028 9.351 ( -1.560 -3.988 2.733) 5.080 9.432 ( 5.186 -3.198 0.185) 6.096 9.684 ( -4.177 -0.119 -1.439) 4.420 9.823 ( 4.500 -2.487 0.641) 5.181 10.006 ( 2.482 -1.016 -4.067) 4.871 10.069 ( -2.223 -2.011 -0.928) 3.138 10.286 ( -5.675 0.641 0.245) 5.717 10.519 ( 5.134 -0.314 1.421) 5.337 10.705 ( -0.137 1.862 0.704) 1.995 10.917 ( 8.045 -0.997 0.200) 8.109 11.509 ( -17.136 -12.845 10.541) 23.870 12.435 ( 3.360 3.424 5.416) 7.235 12.601 ( -2.338 2.307 0.243) 3.294 12.938 ( 6.074 -3.602 -2.287) 7.423 13.072 ( -1.456 -0.829 -1.230) 2.078 ======================= Grid point 42 (18/60) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -7.292 5.398 4.941) 10.331 0.793 ( 7.292 5.398 4.941) 10.331 0.998 ( -9.434 8.399 6.313) 14.121 0.998 ( 9.434 8.399 6.313) 14.121 1.407 ( -10.427 12.273 6.141) 17.235 1.407 ( 10.427 12.273 6.141) 17.235 1.766 ( -2.918 -2.532 -6.003) 7.139 1.766 ( 2.918 -2.532 -6.003) 7.139 1.823 ( -3.021 4.801 -9.054) 10.685 1.823 ( 3.021 4.801 -9.054) 10.685 2.090 ( -5.611 3.550 -3.574) 7.541 2.090 ( 5.611 3.550 -3.574) 7.541 2.199 ( -2.774 -1.236 1.758) 3.509 2.199 ( 2.774 -1.236 1.758) 3.509 2.459 ( -3.394 2.799 5.189) 6.803 2.459 ( 3.394 2.799 5.189) 6.803 2.681 ( -5.590 6.650 -2.735) 9.108 2.681 ( 5.590 6.650 -2.735) 9.108 2.763 ( -3.419 1.293 -6.747) 7.674 2.763 ( 3.419 1.293 -6.747) 7.674 3.030 ( -1.994 -3.505 2.704) 4.856 3.030 ( 1.994 -3.505 2.704) 4.856 3.140 ( -2.316 1.584 2.778) 3.948 3.140 ( 2.316 1.584 2.778) 3.948 3.390 ( -1.627 -4.518 -4.650) 6.684 3.390 ( 1.627 -4.518 -4.650) 6.684 3.451 ( -2.911 -1.612 -5.914) 6.786 3.451 ( 2.911 -1.612 -5.914) 6.786 3.535 ( -0.317 1.574 -3.825) 4.149 3.535 ( 0.317 1.574 -3.825) 4.149 3.710 ( -3.329 -3.434 -2.939) 5.613 3.710 ( 3.329 -3.434 -2.939) 5.613 3.797 ( -1.162 0.459 -2.044) 2.396 3.797 ( 1.162 0.459 -2.044) 2.396 3.920 ( -2.134 -2.383 -0.311) 3.214 3.920 ( 2.134 -2.383 -0.311) 3.214 3.988 ( -0.490 -2.226 -1.549) 2.756 3.988 ( 0.490 -2.226 -1.549) 2.756 4.192 ( -1.919 -2.888 -2.798) 4.455 4.192 ( 1.919 -2.888 -2.798) 4.455 4.251 ( -1.421 2.328 0.541) 2.780 4.251 ( 1.421 2.328 0.541) 2.780 4.395 ( -3.862 4.003 3.202) 6.419 4.395 ( 3.862 4.003 3.202) 6.419 4.616 ( -2.374 1.060 0.375) 2.626 4.616 ( 2.374 1.060 0.375) 2.626 4.786 ( -1.653 -2.601 2.094) 3.726 4.786 ( 1.653 -2.601 2.094) 3.726 4.949 ( -1.845 -0.051 3.012) 3.533 4.949 ( 1.845 -0.051 3.012) 3.533 4.963 ( -1.480 -2.852 0.699) 3.288 4.963 ( 1.480 -2.852 0.699) 3.288 5.110 ( -0.378 1.111 3.095) 3.310 5.110 ( 0.378 1.111 3.095) 3.310 5.171 ( -1.101 -0.556 -5.403) 5.542 5.171 ( 1.101 -0.556 -5.403) 5.542 5.376 ( -3.347 -4.635 -2.315) 6.168 5.376 ( 3.347 -4.635 -2.315) 6.168 5.568 ( -2.639 -1.871 4.783) 5.775 5.568 ( 2.639 -1.871 4.783) 5.775 5.773 ( -6.669 6.853 6.118) 11.352 5.773 ( 6.669 6.853 6.118) 11.352 6.172 ( -2.667 8.257 -2.037) 8.913 6.172 ( 2.667 8.257 -2.037) 8.913 6.593 ( -3.356 11.947 0.276) 12.413 6.593 ( 3.356 11.947 0.276) 12.413 7.156 ( -0.751 23.370 -1.197) 23.413 7.156 ( 0.751 23.370 -1.197) 23.413 7.299 ( -2.558 2.788 0.940) 3.899 7.299 ( 2.558 2.788 0.940) 3.899 7.688 ( -0.764 -1.891 -7.268) 7.549 7.688 ( 0.764 -1.891 -7.268) 7.549 8.020 ( -2.424 -4.046 0.713) 4.770 8.020 ( 2.424 -4.046 0.713) 4.770 8.291 ( -6.772 2.565 -0.726) 7.278 8.291 ( 6.772 2.565 -0.726) 7.278 8.480 ( -2.308 0.935 -3.182) 4.041 8.480 ( 2.308 0.935 -3.182) 4.041 9.017 ( -2.438 2.957 9.541) 10.282 9.017 ( 2.438 2.957 9.541) 10.282 9.300 ( -3.277 -4.925 0.641) 5.950 9.300 ( 3.277 -4.925 0.641) 5.950 9.565 ( -6.321 -1.198 -1.212) 6.547 9.565 ( 6.321 -1.198 -1.212) 6.547 9.933 ( -5.337 -2.722 0.031) 5.991 9.933 ( 5.337 -2.722 0.031) 5.991 10.154 ( -6.047 0.577 -0.668) 6.111 10.154 ( 6.047 0.577 -0.668) 6.111 10.630 ( -4.887 -0.104 2.038) 5.296 10.630 ( 4.887 -0.104 2.038) 5.296 11.174 ( -13.740 -5.620 3.335) 15.215 11.174 ( 13.740 -5.620 3.335) 15.215 12.526 ( -4.262 3.037 2.501) 5.800 12.526 ( 4.262 3.037 2.501) 5.800 13.028 ( -2.724 -1.812 -1.879) 3.773 13.028 ( 2.724 -1.812 -1.879) 3.773 ======================= Grid point 45 (19/60) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 0.000 17.589 4.570) 18.173 0.796 ( 0.000 16.321 7.094) 17.796 1.314 ( 0.000 1.265 -0.742) 1.467 1.399 ( 0.000 -1.678 -2.070) 2.665 1.502 ( 0.000 0.169 1.620) 1.629 1.568 ( 0.000 -5.946 4.040) 7.189 1.587 ( 0.000 15.990 4.487) 16.607 1.650 ( 0.000 5.602 1.737) 5.865 1.924 ( 0.000 2.596 -6.437) 6.941 1.951 ( 0.000 6.997 -5.535) 8.921 2.022 ( 0.000 -2.386 3.877) 4.552 2.132 ( 0.000 4.091 -3.790) 5.577 2.226 ( 0.000 12.286 -10.910) 16.431 2.478 ( 0.000 -2.537 -6.810) 7.268 2.562 ( 0.000 11.652 -5.360) 12.825 2.562 ( 0.000 9.157 8.806) 12.704 2.733 ( 0.000 9.751 7.431) 12.260 2.776 ( 0.000 1.413 0.721) 1.586 2.838 ( 0.000 7.371 -3.302) 8.077 2.940 ( 0.000 0.846 -4.844) 4.918 3.083 ( 0.000 -0.934 2.237) 2.424 3.085 ( 0.000 -2.318 1.118) 2.573 3.140 ( 0.000 -2.539 -7.798) 8.201 3.192 ( 0.000 -8.047 -4.874) 9.409 3.220 ( 0.000 -0.352 2.318) 2.345 3.326 ( 0.000 -9.721 0.855) 9.758 3.380 ( 0.000 0.282 -8.394) 8.399 3.409 ( 0.000 -1.447 -1.500) 2.085 3.464 ( 0.000 -2.609 -1.158) 2.854 3.578 ( 0.000 1.704 -0.165) 1.712 3.641 ( 0.000 3.916 7.783) 8.713 3.643 ( 0.000 -4.251 -8.685) 9.669 3.713 ( 0.000 -0.971 -2.461) 2.646 3.781 ( 0.000 -4.012 -0.887) 4.109 3.803 ( 0.000 -2.975 -5.245) 6.030 3.943 ( 0.000 -1.989 -1.636) 2.576 3.996 ( 0.000 -1.903 1.755) 2.589 4.034 ( 0.000 -1.650 0.271) 1.672 4.086 ( 0.000 -5.115 -0.678) 5.160 4.095 ( 0.000 5.323 -2.205) 5.761 4.159 ( 0.000 -4.362 -2.499) 5.027 4.323 ( 0.000 5.316 4.785) 7.152 4.353 ( 0.000 0.563 -5.080) 5.111 4.571 ( 0.000 0.258 1.119) 1.149 4.583 ( 0.000 5.899 1.327) 6.046 4.703 ( 0.000 4.321 -3.078) 5.305 4.745 ( 0.000 -1.291 2.263) 2.605 4.751 ( 0.000 -8.381 1.282) 8.478 4.832 ( 0.000 -0.350 3.951) 3.966 4.836 ( 0.000 -1.782 0.991) 2.039 4.901 ( 0.000 -5.569 -1.885) 5.880 4.992 ( 0.000 -0.775 3.140) 3.234 5.088 ( 0.000 0.128 3.651) 3.653 5.091 ( 0.000 -7.176 2.889) 7.736 5.133 ( 0.000 -5.699 -2.806) 6.352 5.180 ( 0.000 -1.594 0.685) 1.735 5.193 ( 0.000 4.916 1.117) 5.042 5.322 ( 0.000 -3.499 -1.906) 3.984 5.563 ( 0.000 -3.688 3.003) 4.756 5.577 ( 0.000 -2.514 3.566) 4.363 5.686 ( 0.000 0.527 3.882) 3.917 5.956 ( 0.000 -7.966 -0.363) 7.974 6.211 ( 0.000 2.674 2.508) 3.666 6.252 ( 0.000 6.313 0.215) 6.317 7.006 ( 0.000 34.972 1.348) 34.998 7.249 ( 0.000 8.247 -2.653) 8.663 7.392 ( 0.000 7.919 -0.318) 7.926 7.453 ( 0.000 -2.422 -3.449) 4.214 7.475 ( 0.000 8.285 0.483) 8.299 7.540 ( 0.000 11.987 0.628) 12.004 7.640 ( 0.000 3.266 -0.136) 3.269 7.755 ( 0.000 7.365 -9.884) 12.327 7.886 ( 0.000 0.453 -0.716) 0.847 8.010 ( 0.000 5.674 2.403) 6.162 8.239 ( 0.000 2.953 -4.159) 5.100 8.401 ( 0.000 -0.892 -3.702) 3.808 8.633 ( 0.000 2.892 -0.488) 2.933 8.752 ( 0.000 4.466 -16.202) 16.807 9.055 ( 0.000 -0.175 0.978) 0.994 9.066 ( 0.000 -0.077 4.547) 4.547 9.164 ( 0.000 -12.656 1.044) 12.699 9.252 ( 0.000 -7.715 3.076) 8.306 9.324 ( 0.000 -2.455 7.378) 7.775 9.633 ( 0.000 -8.285 -0.552) 8.303 9.798 ( 0.000 2.207 -2.242) 3.146 9.931 ( 0.000 -0.721 -5.501) 5.548 10.108 ( 0.000 2.844 0.077) 2.845 10.381 ( 0.000 -0.877 -1.881) 2.075 10.438 ( 0.000 1.228 2.998) 3.239 10.702 ( 0.000 -1.516 -2.243) 2.707 10.887 ( 0.000 1.917 1.681) 2.549 11.365 ( 0.000 -18.044 9.480) 20.383 12.487 ( 0.000 5.751 4.417) 7.252 12.699 ( 0.000 5.815 -1.181) 5.933 12.780 ( 0.000 -2.359 1.866) 3.007 13.065 ( 0.000 -2.424 -1.139) 2.678 ======================= Grid point 46 (20/60) ======================= q-point: ( 0.25 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 5.956 12.683 7.090) 15.704 0.862 ( 4.984 16.295 5.548) 17.920 1.175 ( -7.590 3.900 1.737) 8.709 1.346 ( -10.360 1.153 4.991) 11.558 1.496 ( 4.280 -0.908 -0.930) 4.473 1.601 ( -0.170 -6.361 -0.553) 6.388 1.634 ( 4.743 10.451 0.506) 11.488 1.720 ( 3.505 3.191 2.317) 5.276 1.933 ( 1.427 7.810 -7.611) 10.998 1.980 ( 1.466 3.939 -3.138) 5.245 2.053 ( 3.885 0.700 4.667) 6.113 2.146 ( -0.366 5.288 -3.560) 6.385 2.191 ( -1.063 10.363 -10.443) 14.750 2.414 ( -6.380 4.992 -5.835) 9.984 2.523 ( 0.250 3.986 2.657) 4.797 2.593 ( -2.337 5.250 4.003) 7.004 2.714 ( 1.248 7.294 -1.459) 7.542 2.792 ( 0.571 5.990 -3.973) 7.210 2.858 ( 1.677 8.095 2.092) 8.527 2.913 ( -1.747 0.893 -3.639) 4.134 3.007 ( -4.539 -0.188 2.351) 5.115 3.049 ( -3.413 -2.048 -0.772) 4.054 3.125 ( -0.357 -1.408 -2.467) 2.863 3.182 ( -0.632 -1.412 1.903) 2.452 3.265 ( 1.710 -5.106 -3.608) 6.482 3.297 ( -0.796 -6.518 -2.054) 6.880 3.357 ( 0.322 -2.304 -6.407) 6.816 3.460 ( -0.204 -5.064 -2.094) 5.484 3.546 ( 4.154 -0.194 -3.346) 5.337 3.562 ( 0.864 0.323 -1.840) 2.058 3.610 ( 0.093 2.566 2.662) 3.699 3.663 ( -2.899 -1.992 -2.293) 4.199 3.708 ( 2.470 -2.853 -2.394) 4.469 3.770 ( -0.618 -6.250 -2.201) 6.655 3.830 ( 1.949 0.112 -3.204) 3.752 3.936 ( -1.108 -1.668 -1.932) 2.783 3.960 ( -1.548 -1.992 0.466) 2.566 3.998 ( -3.235 -0.237 1.921) 3.770 4.062 ( 1.240 -4.840 -3.774) 6.262 4.147 ( -0.757 -4.600 -1.835) 5.010 4.219 ( 5.520 2.160 -0.755) 5.976 4.338 ( 0.599 4.429 2.771) 5.258 4.376 ( 2.486 1.649 -1.733) 3.450 4.554 ( -2.735 4.383 2.125) 5.586 4.617 ( 2.693 0.870 -0.145) 2.834 4.667 ( -2.203 0.629 -0.896) 2.460 4.718 ( 0.747 -0.669 -0.607) 1.172 4.793 ( -2.132 -2.539 0.317) 3.330 4.800 ( 1.861 -6.176 0.431) 6.465 4.878 ( 1.478 -3.045 1.511) 3.707 4.918 ( 1.686 -2.010 2.179) 3.411 4.971 ( -1.827 -1.475 2.486) 3.420 5.065 ( -0.697 -3.084 0.804) 3.262 5.109 ( -1.059 -3.118 -0.712) 3.369 5.131 ( 1.904 -3.923 5.760) 7.225 5.169 ( -0.328 -0.541 1.483) 1.613 5.225 ( 1.530 0.618 0.877) 1.869 5.306 ( -1.206 -3.444 -4.517) 5.807 5.531 ( -1.374 -2.865 3.632) 4.826 5.567 ( -2.649 -4.927 3.400) 6.546 5.712 ( 4.810 3.087 4.410) 7.219 6.063 ( 3.341 -1.443 0.113) 3.641 6.084 ( -3.925 1.513 2.163) 4.730 6.292 ( 0.100 2.524 -0.476) 2.570 7.023 ( 1.808 34.120 1.356) 34.195 7.240 ( -3.268 15.824 -3.988) 16.643 7.332 ( -3.289 7.865 1.065) 8.591 7.398 ( -2.310 2.604 0.721) 3.555 7.496 ( 1.073 6.745 -1.488) 6.990 7.540 ( -0.189 13.485 0.197) 13.488 7.644 ( 0.341 1.372 -1.320) 1.934 7.696 ( -2.797 1.256 -5.794) 6.555 7.966 ( 4.621 6.074 -2.922) 8.172 8.054 ( 2.888 4.675 1.552) 5.710 8.253 ( 1.478 3.912 -4.065) 5.832 8.416 ( 1.628 -0.881 -3.618) 4.064 8.529 ( -8.958 5.107 -2.137) 10.531 8.637 ( -7.442 4.535 -10.196) 13.413 9.040 ( -0.471 0.096 5.783) 5.803 9.079 ( 1.634 -10.136 1.496) 10.375 9.139 ( -4.465 -1.587 8.018) 9.314 9.232 ( -0.837 -7.461 1.556) 7.667 9.354 ( 4.651 -5.197 2.336) 7.355 9.607 ( -3.081 -8.484 -0.029) 9.026 9.827 ( 3.006 3.078 -0.992) 4.415 9.997 ( 2.509 0.541 -4.008) 4.760 10.055 ( -1.498 1.505 -1.041) 2.365 10.292 ( -5.641 -0.208 -0.569) 5.674 10.518 ( 4.947 0.504 1.874) 5.314 10.735 ( -0.864 0.637 -0.634) 1.247 10.868 ( 2.258 -3.727 2.490) 5.019 11.237 ( -9.519 -14.143 6.893) 18.389 12.529 ( 3.589 6.255 3.286) 7.925 12.679 ( -1.883 5.916 -0.435) 6.223 12.869 ( 5.895 -3.806 0.324) 7.024 13.044 ( -1.966 -2.641 -1.018) 3.446 ======================= Grid point 47 (21/60) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -2.881 11.456 5.700) 13.117 0.963 ( 2.881 11.456 5.700) 13.117 1.115 ( -7.855 5.365 5.789) 11.135 1.115 ( 7.855 5.365 5.789) 11.135 1.570 ( -2.394 -3.541 -0.778) 4.345 1.570 ( 2.394 -3.541 -0.778) 4.345 1.728 ( -2.575 2.082 -0.731) 3.391 1.728 ( 2.575 2.082 -0.731) 3.391 1.987 ( -2.289 9.692 -6.109) 11.682 1.987 ( 2.289 9.692 -6.109) 11.682 2.114 ( -0.701 3.834 2.432) 4.594 2.114 ( 0.701 3.834 2.432) 4.594 2.261 ( -6.521 5.658 -8.099) 11.837 2.261 ( 6.521 5.658 -8.099) 11.837 2.528 ( -1.377 4.455 4.160) 6.249 2.528 ( 1.377 4.455 4.160) 6.249 2.783 ( -4.039 3.371 -5.457) 7.580 2.783 ( 4.039 3.371 -5.457) 7.580 2.884 ( -2.624 10.697 -0.305) 11.019 2.884 ( 2.624 10.697 -0.305) 11.019 2.966 ( -2.238 -3.623 0.555) 4.294 2.966 ( 2.238 -3.623 0.555) 4.294 3.151 ( -2.060 -0.256 2.646) 3.363 3.151 ( 2.060 -0.256 2.646) 3.363 3.284 ( -0.723 -6.071 -3.498) 7.044 3.284 ( 0.723 -6.071 -3.498) 7.044 3.403 ( -3.163 -3.232 -5.314) 6.978 3.403 ( 3.163 -3.232 -5.314) 6.978 3.584 ( -1.716 3.369 -1.240) 3.978 3.584 ( 1.716 3.369 -1.240) 3.978 3.630 ( -0.800 -3.799 -2.278) 4.502 3.630 ( 0.800 -3.799 -2.278) 4.502 3.751 ( -1.194 -5.522 -1.249) 5.786 3.751 ( 1.194 -5.522 -1.249) 5.786 3.889 ( -3.061 -0.266 -2.703) 4.092 3.889 ( 3.061 -0.266 -2.703) 4.092 3.945 ( -0.577 -1.882 0.787) 2.120 3.945 ( 0.577 -1.882 0.787) 2.120 4.109 ( -2.456 -4.993 -2.846) 6.250 4.109 ( 2.456 -4.993 -2.846) 6.250 4.312 ( -2.873 3.157 -0.041) 4.269 4.312 ( 2.873 3.157 -0.041) 4.269 4.466 ( -4.842 2.961 2.378) 6.154 4.466 ( 4.842 2.961 2.378) 6.154 4.644 ( -0.288 1.254 -1.007) 1.634 4.644 ( 0.288 1.254 -1.007) 1.634 4.746 ( -1.682 -1.324 -0.382) 2.174 4.746 ( 1.682 -1.324 -0.382) 2.174 4.869 ( -2.892 -5.813 -1.430) 6.648 4.869 ( 2.892 -5.813 -1.430) 6.648 4.935 ( -0.589 -2.124 3.354) 4.013 4.935 ( 0.589 -2.124 3.354) 4.013 5.081 ( -1.757 -3.346 1.699) 4.143 5.081 ( 1.757 -3.346 1.699) 4.143 5.159 ( -0.726 -1.747 4.557) 4.934 5.159 ( 0.726 -1.747 4.557) 4.934 5.268 ( -2.333 -1.637 -2.640) 3.885 5.268 ( 2.333 -1.637 -2.640) 3.885 5.521 ( -0.865 -3.563 2.983) 4.727 5.521 ( 0.865 -3.563 2.983) 4.727 5.875 ( -9.207 5.169 4.353) 11.421 5.875 ( 9.207 5.169 4.353) 11.421 6.231 ( -5.701 -1.341 -1.264) 5.992 6.231 ( 5.701 -1.341 -1.264) 5.992 7.102 ( -5.776 30.114 0.265) 30.664 7.102 ( 5.776 30.114 0.265) 30.664 7.346 ( -2.312 3.855 0.383) 4.511 7.346 ( 2.312 3.855 0.383) 4.511 7.524 ( -1.283 11.348 -0.732) 11.444 7.524 ( 1.283 11.348 -0.732) 11.444 7.657 ( -1.009 -0.850 -2.970) 3.250 7.657 ( 1.009 -0.850 -2.970) 3.250 8.057 ( -3.001 8.213 -2.050) 8.981 8.057 ( 3.001 8.213 -2.050) 8.981 8.336 ( -6.582 3.956 -1.984) 7.932 8.336 ( 6.582 3.956 -1.984) 7.932 8.495 ( -5.253 0.195 -4.827) 7.137 8.495 ( 5.253 0.195 -4.827) 7.137 9.047 ( -1.727 -2.624 6.361) 7.094 9.047 ( 1.727 -2.624 6.361) 7.094 9.168 ( -4.053 -6.069 3.740) 8.200 9.168 ( 4.053 -6.069 3.740) 8.200 9.495 ( -6.679 -7.218 -0.240) 9.837 9.495 ( 6.679 -7.218 -0.240) 9.837 9.920 ( -4.956 2.787 -0.946) 5.764 9.920 ( 4.956 2.787 -0.946) 5.764 10.158 ( -6.386 -0.453 -1.665) 6.615 10.158 ( 6.386 -0.453 -1.665) 6.615 10.637 ( -5.749 1.157 2.001) 6.196 10.637 ( 5.749 1.157 2.001) 6.196 11.021 ( -9.442 -9.850 2.929) 13.956 11.021 ( 9.442 -9.850 2.929) 13.956 12.616 ( -3.755 6.302 1.256) 7.443 12.616 ( 3.755 6.302 1.256) 7.443 12.979 ( -3.980 -3.412 -0.688) 5.287 12.979 ( 3.980 -3.412 -0.688) 5.287 ======================= Grid point 50 (22/60) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.000 14.735 1.721) 14.835 1.116 ( 0.000 16.332 2.732) 16.559 1.317 ( 0.000 -6.964 -0.528) 6.984 1.367 ( 0.000 -2.437 -0.191) 2.445 1.413 ( 0.000 -2.172 2.485) 3.300 1.477 ( 0.000 1.389 1.548) 2.080 1.597 ( 0.000 -7.720 4.397) 8.885 1.600 ( 0.000 -10.516 2.994) 10.934 2.007 ( 0.000 4.386 -4.899) 6.576 2.034 ( 0.000 1.821 -5.948) 6.220 2.286 ( 0.000 8.983 -4.595) 10.090 2.290 ( 0.000 20.666 2.689) 20.840 2.418 ( 0.000 -4.260 -4.835) 6.444 2.428 ( 0.000 7.160 -7.493) 10.364 2.687 ( 0.000 -1.896 -1.450) 2.387 2.699 ( 0.000 1.844 4.319) 4.696 2.764 ( 0.000 4.105 -1.829) 4.494 2.887 ( 0.000 -6.133 0.428) 6.148 2.906 ( 0.000 -0.642 0.324) 0.719 2.976 ( 0.000 -0.702 -1.275) 1.456 2.980 ( 0.000 3.281 -1.230) 3.504 3.055 ( 0.000 -2.586 2.464) 3.571 3.118 ( 0.000 3.154 -8.804) 9.352 3.139 ( 0.000 2.210 0.579) 2.285 3.198 ( 0.000 -2.850 1.159) 3.077 3.222 ( 0.000 0.297 0.405) 0.503 3.318 ( 0.000 -3.409 -2.551) 4.258 3.385 ( 0.000 -5.810 -6.145) 8.457 3.438 ( 0.000 3.494 -3.346) 4.838 3.530 ( 0.000 -6.133 -6.371) 8.843 3.661 ( 0.000 -0.349 0.596) 0.690 3.669 ( 0.000 8.054 -0.695) 8.084 3.682 ( 0.000 -2.282 -1.005) 2.493 3.803 ( 0.000 1.046 -2.095) 2.341 3.825 ( 0.000 7.186 4.962) 8.733 3.893 ( 0.000 -8.314 -4.572) 9.488 3.895 ( 0.000 -3.069 -1.979) 3.651 3.964 ( 0.000 -6.446 5.866) 8.715 4.032 ( 0.000 1.554 -0.918) 1.805 4.083 ( 0.000 -3.436 -1.334) 3.686 4.225 ( 0.000 8.078 -2.956) 8.602 4.353 ( 0.000 -2.478 -2.634) 3.617 4.413 ( 0.000 3.564 2.449) 4.324 4.491 ( 0.000 -7.079 0.642) 7.108 4.673 ( 0.000 1.374 -3.515) 3.774 4.678 ( 0.000 3.122 -0.717) 3.203 4.729 ( 0.000 -0.768 -0.003) 0.768 4.732 ( 0.000 -0.289 0.311) 0.425 4.822 ( 0.000 0.516 0.528) 0.738 4.838 ( 0.000 0.784 -1.192) 1.427 4.856 ( 0.000 0.717 3.049) 3.132 4.912 ( 0.000 -7.823 -1.426) 7.951 5.024 ( 0.000 2.489 2.368) 3.436 5.048 ( 0.000 -2.167 2.533) 3.333 5.066 ( 0.000 -2.450 4.891) 5.470 5.102 ( 0.000 -5.141 3.890) 6.447 5.307 ( 0.000 5.161 4.025) 6.545 5.324 ( 0.000 2.322 -2.202) 3.200 5.488 ( 0.000 -3.129 -1.456) 3.451 5.506 ( 0.000 -4.212 1.103) 4.354 5.714 ( 0.000 3.034 3.922) 4.958 5.808 ( 0.000 -6.724 1.853) 6.974 6.285 ( 0.000 4.050 1.072) 4.190 6.324 ( 0.000 0.736 -0.089) 0.742 7.357 ( 0.000 4.071 -1.314) 4.277 7.396 ( 0.000 0.560 -3.183) 3.232 7.468 ( 0.000 2.290 0.972) 2.487 7.478 ( 0.000 2.109 2.308) 3.126 7.572 ( 0.000 1.649 2.965) 3.393 7.619 ( 0.000 -0.928 3.387) 3.511 7.787 ( 0.000 15.042 -1.305) 15.098 7.881 ( 0.000 4.677 -3.657) 5.938 8.060 ( 0.000 12.680 -1.182) 12.735 8.223 ( 0.000 -4.586 -0.346) 4.599 8.254 ( 0.000 17.008 0.827) 17.028 8.407 ( 0.000 4.632 -2.503) 5.265 8.566 ( 0.000 -10.060 1.055) 10.115 8.701 ( 0.000 -15.343 -3.652) 15.771 8.964 ( 0.000 0.024 -8.244) 8.244 9.022 ( 0.000 -3.194 -4.618) 5.615 9.089 ( 0.000 0.897 6.622) 6.682 9.134 ( 0.000 -4.149 5.524) 6.908 9.321 ( 0.000 3.660 3.663) 5.179 9.456 ( 0.000 -9.242 0.486) 9.254 9.847 ( 0.000 3.199 -4.727) 5.708 9.905 ( 0.000 -2.328 -5.149) 5.651 10.228 ( 0.000 7.876 0.560) 7.896 10.342 ( 0.000 -3.550 -1.446) 3.833 10.483 ( 0.000 3.984 3.151) 5.079 10.602 ( 0.000 -7.504 2.251) 7.834 10.950 ( 0.000 5.067 1.544) 5.297 11.095 ( 0.000 -10.472 3.746) 11.122 12.606 ( 0.000 6.292 2.924) 6.939 12.713 ( 0.000 -4.645 2.404) 5.230 12.837 ( 0.000 8.110 -1.271) 8.209 12.982 ( 0.000 -6.327 -1.217) 6.443 ======================= Grid point 51 (23/60) ======================= q-point: ( 0.25 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 1.693 13.080 2.351) 13.397 1.162 ( 2.432 13.287 3.630) 13.987 1.246 ( -3.745 1.118 1.942) 4.364 1.340 ( -4.218 -4.503 2.267) 6.573 1.439 ( 2.102 0.265 0.098) 2.121 1.480 ( 0.033 -0.534 1.225) 1.337 1.599 ( 0.509 -9.928 3.236) 10.455 1.619 ( 0.711 -10.335 4.114) 11.146 2.053 ( 3.648 3.847 -6.020) 8.021 2.067 ( 3.908 2.534 -3.958) 6.112 2.253 ( -2.019 10.725 -2.222) 11.137 2.345 ( -2.126 7.981 -0.632) 8.283 2.368 ( 1.439 9.290 -7.880) 12.266 2.440 ( -0.427 3.849 -5.049) 6.363 2.608 ( -3.635 -0.210 -1.056) 3.791 2.662 ( -3.752 -0.021 0.040) 3.752 2.789 ( 1.500 3.401 0.197) 3.723 2.869 ( -0.526 -3.295 0.764) 3.423 2.917 ( -2.211 -2.221 1.651) 3.542 2.929 ( -2.132 0.497 -2.561) 3.369 2.983 ( 0.138 0.315 -0.645) 0.731 3.041 ( 2.119 -1.584 -3.582) 4.453 3.131 ( -1.141 4.606 -2.276) 5.263 3.161 ( 2.764 0.561 -0.212) 2.828 3.186 ( -0.783 -0.761 1.760) 2.071 3.255 ( 1.750 0.943 -2.491) 3.187 3.325 ( -2.782 -1.725 -2.900) 4.373 3.365 ( 1.768 -3.792 -1.924) 4.605 3.495 ( 3.290 -2.550 -4.242) 5.943 3.527 ( 0.396 -4.326 -4.863) 6.521 3.629 ( -1.469 0.475 0.110) 1.547 3.650 ( -1.802 -2.167 -1.195) 3.062 3.705 ( 0.999 4.507 -1.068) 4.739 3.763 ( -1.933 6.577 1.697) 7.062 3.858 ( -0.874 -1.262 -4.765) 5.006 3.876 ( -0.898 -5.069 -2.171) 5.588 3.896 ( 1.438 -2.614 2.973) 4.212 3.955 ( 0.976 -4.553 0.701) 4.709 4.011 ( -2.452 1.628 0.800) 3.051 4.062 ( -1.457 -3.836 -0.436) 4.126 4.289 ( 4.606 5.497 -2.465) 7.583 4.384 ( 2.523 -1.360 -1.725) 3.345 4.420 ( 0.464 2.983 1.358) 3.310 4.502 ( 0.356 -7.028 -0.225) 7.040 4.667 ( -0.604 4.104 0.487) 4.177 4.674 ( -0.345 2.632 -1.728) 3.167 4.717 ( 0.014 -1.025 -1.620) 1.917 4.734 ( -0.168 -2.171 0.784) 2.314 4.798 ( -1.424 2.566 -2.363) 3.768 4.819 ( -0.169 -1.013 -0.574) 1.176 4.875 ( -0.646 -4.306 0.381) 4.370 4.883 ( -2.405 -6.790 -1.959) 7.465 5.035 ( 1.020 2.678 3.835) 4.787 5.055 ( 0.565 -0.722 4.790) 4.876 5.078 ( 1.152 -2.199 5.678) 6.197 5.108 ( 0.389 -3.997 5.663) 6.942 5.314 ( 0.437 5.263 2.608) 5.890 5.325 ( 0.143 3.232 -3.323) 4.637 5.458 ( -1.861 -3.976 -0.335) 4.402 5.470 ( -2.603 -4.766 2.197) 5.858 5.797 ( 7.484 6.006 2.921) 10.031 5.935 ( 9.399 -7.863 0.884) 12.286 6.195 ( -7.144 6.448 1.433) 9.730 6.293 ( -3.920 -2.875 -0.137) 4.863 7.372 ( 1.336 4.324 -0.929) 4.620 7.411 ( 1.240 1.610 -2.385) 3.133 7.454 ( -1.326 2.836 0.956) 3.273 7.471 ( -0.593 2.886 1.301) 3.221 7.599 ( 2.229 2.378 2.909) 4.369 7.637 ( 1.898 -0.494 2.309) 3.029 7.754 ( -2.969 11.185 -0.627) 11.589 7.792 ( -5.237 6.313 -0.674) 8.230 8.161 ( 5.658 9.700 -3.436) 11.744 8.243 ( -0.175 12.382 -0.343) 12.388 8.296 ( 5.803 1.408 -1.200) 6.091 8.402 ( -0.047 3.507 -2.909) 4.557 8.537 ( -2.340 -5.425 0.581) 5.936 8.715 ( 0.008 -9.774 -5.121) 11.034 8.838 ( -7.672 0.313 -3.589) 8.475 8.976 ( -6.350 -7.480 0.644) 9.833 9.126 ( 1.610 -0.118 5.439) 5.674 9.149 ( 4.446 -1.888 0.897) 4.913 9.287 ( -2.332 1.477 4.814) 5.550 9.417 ( -3.406 -9.955 1.250) 10.596 9.903 ( 4.589 4.494 -3.518) 7.323 9.978 ( 5.715 -2.779 -4.217) 7.627 10.157 ( -5.439 7.304 -0.246) 9.109 10.264 ( -5.741 -3.269 -1.158) 6.707 10.554 ( 5.261 3.789 2.704) 7.025 10.668 ( 5.246 -7.035 1.806) 8.960 10.864 ( -6.734 4.186 2.596) 8.343 11.001 ( -7.418 -9.985 3.218) 12.848 12.660 ( 4.209 6.951 2.028) 8.376 12.780 ( 4.917 -5.133 1.311) 7.228 12.818 ( -1.679 7.645 -0.705) 7.859 12.959 ( -2.087 -6.216 -0.878) 6.616 ======================= Grid point 52 (24/60) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -3.241 8.577 4.072) 10.033 1.173 ( 3.241 8.577 4.072) 10.033 1.231 ( -4.510 4.892 2.955) 7.280 1.231 ( 4.510 4.892 2.955) 7.280 1.471 ( -0.886 -1.244 0.641) 1.657 1.471 ( 0.886 -1.244 0.641) 1.657 1.616 ( -0.779 -11.190 3.499) 11.750 1.616 ( 0.779 -11.190 3.499) 11.750 2.150 ( -4.287 6.528 -5.163) 9.362 2.150 ( 4.287 6.528 -5.163) 9.362 2.217 ( -6.377 0.629 -2.650) 6.934 2.217 ( 6.377 0.629 -2.650) 6.934 2.426 ( -1.540 12.699 -6.012) 14.134 2.426 ( 1.540 12.699 -6.012) 14.134 2.589 ( -1.751 -1.117 -0.660) 2.180 2.589 ( 1.751 -1.117 -0.660) 2.180 2.837 ( -3.167 1.853 -0.060) 3.670 2.837 ( 3.167 1.853 -0.060) 3.670 2.878 ( -1.522 -4.045 0.259) 4.329 2.878 ( 1.522 -4.045 0.259) 4.329 3.054 ( -3.771 4.850 -2.371) 6.585 3.054 ( 3.771 4.850 -2.371) 6.585 3.129 ( -3.499 -3.567 -1.138) 5.125 3.129 ( 3.499 -3.567 -1.138) 5.125 3.235 ( -3.254 4.341 -0.520) 5.450 3.235 ( 3.254 4.341 -0.520) 5.450 3.337 ( -3.188 -4.043 -3.037) 5.978 3.337 ( 3.188 -4.043 -3.037) 5.978 3.561 ( -2.525 -1.235 -1.264) 3.082 3.561 ( 2.525 -1.235 -1.264) 3.082 3.604 ( -2.446 -4.663 -1.628) 5.512 3.604 ( 2.446 -4.663 -1.628) 5.512 3.725 ( -1.307 5.934 -0.546) 6.101 3.725 ( 1.307 5.934 -0.546) 6.101 3.846 ( -0.924 -5.010 -2.438) 5.647 3.846 ( 0.924 -5.010 -2.438) 5.647 3.948 ( -2.790 2.102 0.965) 3.623 3.948 ( 2.790 2.102 0.965) 3.623 4.012 ( -3.018 -4.609 -0.323) 5.519 4.012 ( 3.018 -4.609 -0.323) 5.519 4.381 ( -3.008 4.409 -1.213) 5.473 4.381 ( 3.008 4.409 -1.213) 5.473 4.470 ( -3.218 -3.479 -0.449) 4.760 4.470 ( 3.218 -3.479 -0.449) 4.760 4.664 ( -0.459 2.504 0.048) 2.546 4.664 ( 0.459 2.504 0.048) 2.546 4.732 ( -0.558 -2.665 -0.926) 2.876 4.732 ( 0.558 -2.665 -0.926) 2.876 4.794 ( -1.600 0.207 -1.787) 2.407 4.794 ( 1.600 0.207 -1.787) 2.407 4.855 ( -0.700 -4.986 -2.120) 5.463 4.855 ( 0.700 -4.986 -2.120) 5.463 5.056 ( -0.711 1.379 5.994) 6.192 5.056 ( 0.711 1.379 5.994) 6.192 5.105 ( -0.882 -3.070 6.764) 7.481 5.105 ( 0.882 -3.070 6.764) 7.481 5.325 ( -0.455 5.367 -1.576) 5.612 5.325 ( 0.455 5.367 -1.576) 5.612 5.433 ( -0.135 -5.455 1.451) 5.646 5.433 ( 0.135 -5.455 1.451) 5.646 6.000 ( -10.031 7.766 2.149) 12.867 6.000 ( 10.031 7.766 2.149) 12.867 6.148 ( -8.961 -6.798 0.058) 11.248 6.148 ( 8.961 -6.798 0.058) 11.248 7.410 ( -1.851 4.310 0.087) 4.691 7.410 ( 1.851 4.310 0.087) 4.691 7.449 ( -1.353 2.619 -0.606) 3.009 7.449 ( 1.353 2.619 -0.606) 3.009 7.665 ( -3.891 5.059 1.498) 6.555 7.665 ( 3.891 5.059 1.498) 6.555 7.702 ( -3.443 3.718 1.036) 5.172 7.702 ( 3.443 3.718 1.036) 5.172 8.232 ( -1.099 10.577 -1.720) 10.772 8.232 ( 1.099 10.577 -1.720) 10.772 8.413 ( -1.035 -4.565 -4.539) 6.520 8.413 ( 1.035 -4.565 -4.539) 6.520 8.558 ( -8.510 12.562 -2.471) 15.373 8.558 ( 8.510 12.562 -2.471) 15.373 8.841 ( -5.199 -15.002 0.759) 15.896 8.841 ( 5.199 -15.002 0.759) 15.896 9.176 ( -2.822 4.586 5.368) 7.604 9.176 ( 2.822 4.586 5.368) 7.604 9.317 ( -5.158 -9.621 1.665) 11.043 9.317 ( 5.158 -9.621 1.665) 11.043 10.023 ( -5.888 6.474 -1.886) 8.951 10.023 ( 5.888 6.474 -1.886) 8.951 10.123 ( -6.646 -3.521 -2.255) 7.852 10.123 ( 6.646 -3.521 -2.255) 7.852 10.690 ( -6.672 4.784 2.326) 8.533 10.690 ( 6.672 4.784 2.326) 8.533 10.828 ( -7.331 -9.391 2.750) 12.227 10.828 ( 7.331 -9.391 2.750) 12.227 12.755 ( -3.865 7.675 0.442) 8.604 12.755 ( 3.865 7.675 0.442) 8.604 12.890 ( -4.266 -6.039 0.017) 7.394 12.890 ( 4.266 -6.039 0.017) 7.394 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 0.000 0.000 13.733) 13.733 0.681 ( 0.000 0.000 15.459) 15.459 1.136 ( 0.000 0.000 23.839) 23.839 1.255 ( 0.000 0.000 2.854) 2.854 1.333 ( 0.000 0.000 -0.470) 0.470 1.436 ( 0.000 0.000 -6.461) 6.461 1.490 ( 0.000 0.000 -11.751) 11.751 1.572 ( 0.000 0.000 -7.373) 7.373 1.623 ( 0.000 0.000 -12.003) 12.003 1.662 ( 0.000 0.000 -2.031) 2.031 1.846 ( 0.000 0.000 2.217) 2.217 1.952 ( 0.000 0.000 -13.227) 13.227 2.252 ( 0.000 0.000 3.910) 3.910 2.324 ( 0.000 0.000 3.544) 3.544 2.490 ( 0.000 0.000 5.097) 5.097 2.502 ( 0.000 0.000 -7.892) 7.892 2.569 ( 0.000 0.000 -0.618) 0.618 2.662 ( 0.000 0.000 9.404) 9.404 2.823 ( 0.000 0.000 -6.159) 6.159 2.833 ( 0.000 0.000 1.594) 1.594 3.037 ( 0.000 0.000 -0.730) 0.730 3.114 ( 0.000 0.000 -3.975) 3.975 3.125 ( 0.000 0.000 -10.832) 10.832 3.143 ( 0.000 0.000 -2.373) 2.373 3.145 ( 0.000 0.000 -8.851) 8.851 3.251 ( 0.000 0.000 -1.922) 1.922 3.372 ( 0.000 0.000 -3.780) 3.780 3.431 ( 0.000 0.000 -0.982) 0.982 3.520 ( 0.000 0.000 -8.579) 8.579 3.569 ( 0.000 0.000 -6.006) 6.006 3.615 ( 0.000 0.000 -0.574) 0.574 3.630 ( 0.000 0.000 -8.779) 8.779 3.757 ( 0.000 0.000 7.646) 7.646 3.780 ( 0.000 0.000 -13.020) 13.020 3.791 ( 0.000 0.000 -3.193) 3.193 3.958 ( 0.000 0.000 2.361) 2.361 4.006 ( 0.000 0.000 0.585) 0.585 4.037 ( 0.000 0.000 4.902) 4.902 4.130 ( 0.000 0.000 -6.380) 6.380 4.186 ( 0.000 0.000 3.908) 3.908 4.207 ( 0.000 0.000 4.788) 4.788 4.232 ( 0.000 0.000 4.801) 4.801 4.374 ( 0.000 0.000 4.627) 4.627 4.430 ( 0.000 0.000 -4.567) 4.567 4.460 ( 0.000 0.000 0.825) 0.825 4.566 ( 0.000 0.000 -1.642) 1.642 4.834 ( 0.000 0.000 0.746) 0.746 4.934 ( 0.000 0.000 3.191) 3.191 4.965 ( 0.000 0.000 3.544) 3.544 4.970 ( 0.000 0.000 -2.657) 2.657 4.990 ( 0.000 0.000 -3.658) 3.658 5.049 ( 0.000 0.000 -7.428) 7.428 5.070 ( 0.000 0.000 2.475) 2.475 5.102 ( 0.000 0.000 1.243) 1.243 5.141 ( 0.000 0.000 3.701) 3.701 5.152 ( 0.000 0.000 5.035) 5.035 5.191 ( 0.000 0.000 0.633) 0.633 5.339 ( 0.000 0.000 -0.448) 0.448 5.703 ( 0.000 0.000 5.278) 5.278 5.721 ( 0.000 0.000 3.395) 3.395 5.747 ( 0.000 0.000 7.315) 7.315 5.789 ( 0.000 0.000 6.471) 6.471 6.107 ( 0.000 0.000 3.237) 3.237 6.126 ( 0.000 0.000 -0.494) 0.494 6.640 ( 0.000 0.000 1.352) 1.352 6.692 ( 0.000 0.000 0.813) 0.813 6.752 ( 0.000 0.000 -0.118) 0.118 6.784 ( 0.000 0.000 -0.469) 0.469 7.287 ( 0.000 0.000 -2.737) 2.737 7.375 ( 0.000 0.000 -9.700) 9.700 7.428 ( 0.000 0.000 2.459) 2.459 7.712 ( 0.000 0.000 2.472) 2.472 7.990 ( 0.000 0.000 2.021) 2.021 8.070 ( 0.000 0.000 3.229) 3.229 8.239 ( 0.000 0.000 0.496) 0.496 8.332 ( 0.000 0.000 -3.871) 3.871 8.456 ( 0.000 0.000 -1.786) 1.786 8.524 ( 0.000 0.000 -5.963) 5.963 9.058 ( 0.000 0.000 2.884) 2.884 9.125 ( 0.000 0.000 4.863) 4.863 9.442 ( 0.000 0.000 1.331) 1.331 9.455 ( 0.000 0.000 2.187) 2.187 9.591 ( 0.000 0.000 -8.763) 8.763 9.647 ( 0.000 0.000 12.825) 12.825 9.669 ( 0.000 0.000 -3.737) 3.737 9.958 ( 0.000 0.000 1.262) 1.262 10.135 ( 0.000 0.000 -1.476) 1.476 10.294 ( 0.000 0.000 -2.854) 2.854 10.513 ( 0.000 0.000 4.151) 4.151 10.639 ( 0.000 0.000 2.363) 2.363 10.962 ( 0.000 0.000 8.817) 8.817 11.953 ( 0.000 0.000 -10.193) 10.193 12.543 ( 0.000 0.000 4.027) 4.027 12.586 ( 0.000 0.000 -0.743) 0.743 12.839 ( 0.000 0.000 1.684) 1.684 13.057 ( 0.000 0.000 -3.173) 3.173 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 7.992 0.000 11.789) 14.242 0.773 ( 7.595 0.000 11.902) 14.119 1.101 ( -8.087 0.000 7.968) 11.353 1.165 ( -7.292 0.000 3.508) 8.091 1.295 ( 6.187 0.000 12.300) 13.768 1.467 ( -0.046 0.000 -11.022) 11.022 1.586 ( -2.989 0.000 -10.347) 10.770 1.596 ( 6.274 0.000 -7.110) 9.482 1.632 ( -1.406 0.000 1.729) 2.228 1.698 ( 8.558 0.000 -8.840) 12.304 1.825 ( -1.948 0.000 -0.125) 1.952 1.961 ( -0.449 0.000 -12.070) 12.079 2.264 ( 1.375 0.000 3.951) 4.183 2.316 ( -0.337 0.000 3.537) 3.553 2.510 ( 1.133 0.000 2.739) 2.964 2.519 ( 2.034 0.000 -5.786) 6.134 2.543 ( -2.343 0.000 -0.702) 2.446 2.584 ( -3.138 0.000 8.511) 9.071 2.744 ( -6.453 0.000 -5.829) 8.696 2.772 ( -6.216 0.000 1.414) 6.375 3.049 ( 0.601 0.000 -2.550) 2.620 3.083 ( -0.986 0.000 -6.192) 6.270 3.115 ( -1.212 0.000 -3.150) 3.375 3.155 ( -1.113 0.000 -6.322) 6.419 3.200 ( 6.622 0.000 -3.695) 7.583 3.260 ( 1.218 0.000 -3.267) 3.487 3.343 ( 0.246 0.000 -5.760) 5.765 3.421 ( -4.781 0.000 -6.107) 7.756 3.515 ( -0.523 0.000 -4.305) 4.337 3.567 ( -6.159 0.000 -5.800) 8.460 3.575 ( 2.296 0.000 2.475) 3.376 3.638 ( 2.292 0.000 -7.263) 7.616 3.683 ( -0.490 0.000 -7.382) 7.398 3.777 ( -1.842 0.000 -2.183) 2.856 3.883 ( 3.807 0.000 -2.385) 4.492 3.967 ( 0.974 0.000 2.912) 3.070 3.976 ( -1.691 0.000 -1.474) 2.243 4.027 ( -0.921 0.000 4.115) 4.217 4.194 ( 3.338 0.000 -0.360) 3.357 4.195 ( 1.315 0.000 3.850) 4.068 4.242 ( 1.645 0.000 2.692) 3.155 4.249 ( 0.684 0.000 0.412) 0.799 4.368 ( 0.165 0.000 4.953) 4.956 4.451 ( -1.080 0.000 1.352) 1.731 4.480 ( 4.463 0.000 -3.153) 5.464 4.648 ( 3.532 0.000 -3.453) 4.940 4.855 ( 1.567 0.000 -0.162) 1.575 4.920 ( -2.857 0.000 4.041) 4.948 4.930 ( -1.933 0.000 -3.093) 3.647 4.935 ( -0.418 0.000 2.922) 2.952 5.013 ( 0.740 0.000 -3.227) 3.311 5.044 ( -0.089 0.000 -6.036) 6.037 5.078 ( 0.304 0.000 3.220) 3.234 5.096 ( -1.037 0.000 4.533) 4.650 5.107 ( 0.349 0.000 1.043) 1.100 5.166 ( -2.115 0.000 0.662) 2.216 5.226 ( 4.247 0.000 1.223) 4.419 5.344 ( 0.081 0.000 -0.534) 0.540 5.696 ( 0.666 0.000 3.850) 3.907 5.736 ( 1.981 0.000 5.295) 5.653 5.764 ( 0.163 0.000 6.209) 6.211 5.823 ( 1.643 0.000 6.424) 6.631 6.054 ( -2.565 0.000 0.115) 2.568 6.117 ( -1.936 0.000 0.532) 2.008 6.651 ( 0.915 0.000 1.170) 1.485 6.688 ( -0.431 0.000 0.814) 0.921 6.756 ( 0.299 0.000 -0.270) 0.403 6.779 ( -0.490 0.000 -0.334) 0.593 7.255 ( -0.088 0.000 -1.116) 1.119 7.372 ( -2.525 0.000 0.287) 2.542 7.495 ( 5.239 0.000 -5.600) 7.669 7.676 ( -2.990 0.000 0.957) 3.139 8.055 ( 5.865 0.000 0.473) 5.884 8.088 ( 1.549 0.000 3.063) 3.433 8.193 ( -2.936 0.000 1.190) 3.168 8.376 ( 2.790 0.000 -3.446) 4.434 8.418 ( -7.987 0.000 -3.162) 8.591 8.454 ( -0.379 0.000 -2.229) 2.261 9.086 ( 0.641 0.000 5.051) 5.092 9.149 ( 2.205 0.000 0.678) 2.307 9.338 ( -8.592 0.000 2.466) 8.939 9.424 ( -2.974 0.000 1.538) 3.348 9.473 ( 2.700 0.000 0.479) 2.743 9.634 ( -3.010 0.000 -3.119) 4.335 9.879 ( 7.963 0.000 3.046) 8.525 9.988 ( 3.094 0.000 0.352) 3.114 10.092 ( -1.751 0.000 0.654) 1.869 10.284 ( -3.360 0.000 -0.601) 3.413 10.558 ( 4.666 0.000 2.401) 5.248 10.719 ( 3.079 0.000 1.267) 3.330 10.995 ( 6.243 0.000 7.188) 9.521 11.707 ( -18.548 0.000 -2.773) 18.754 12.519 ( 0.465 0.000 4.724) 4.746 12.589 ( -0.877 0.000 0.173) 0.894 12.917 ( 4.488 0.000 -1.744) 4.815 13.040 ( -1.498 0.000 -2.800) 3.176 ======================= Grid point 72 (27/60) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -10.812 0.000 8.190) 13.563 0.877 ( 10.812 0.000 8.190) 13.563 0.971 ( -9.744 0.000 6.396) 11.656 0.971 ( 9.744 0.000 6.396) 11.656 1.485 ( -8.643 0.000 7.032) 11.142 1.485 ( 8.643 0.000 7.032) 11.142 1.508 ( -3.450 0.000 -10.165) 10.734 1.508 ( 3.450 0.000 -10.165) 10.734 1.754 ( -4.873 0.000 -3.518) 6.010 1.754 ( 4.873 0.000 -3.518) 6.010 1.882 ( -6.955 0.000 -9.753) 11.978 1.882 ( 6.955 0.000 -9.753) 11.978 2.303 ( -1.387 0.000 4.125) 4.352 2.303 ( 1.387 0.000 4.125) 4.352 2.502 ( -0.325 0.000 1.328) 1.367 2.502 ( 0.325 0.000 1.328) 1.367 2.600 ( -5.537 0.000 -5.781) 8.005 2.600 ( 5.537 0.000 -5.781) 8.005 2.632 ( -5.490 0.000 3.565) 6.545 2.632 ( 5.490 0.000 3.565) 6.545 3.063 ( -0.864 0.000 -5.439) 5.508 3.063 ( 0.864 0.000 -5.439) 5.508 3.112 ( -1.416 0.000 -3.744) 4.003 3.112 ( 1.416 0.000 -3.744) 4.003 3.318 ( -3.708 0.000 -6.282) 7.295 3.318 ( 3.708 0.000 -6.282) 7.295 3.376 ( -8.244 0.000 -0.874) 8.290 3.376 ( 8.244 0.000 -0.874) 8.290 3.427 ( -5.642 0.000 -5.351) 7.776 3.427 ( 5.642 0.000 -5.351) 7.776 3.674 ( -0.891 0.000 -8.298) 8.346 3.674 ( 0.891 0.000 -8.298) 8.346 3.700 ( -5.149 0.000 -0.825) 5.215 3.700 ( 5.149 0.000 -0.825) 5.215 3.940 ( -1.773 0.000 -2.127) 2.769 3.940 ( 1.773 0.000 -2.127) 2.769 3.999 ( -1.604 0.000 3.305) 3.674 3.999 ( 1.604 0.000 3.305) 3.674 4.235 ( -1.862 0.000 2.658) 3.245 4.235 ( 1.862 0.000 2.658) 3.245 4.244 ( -1.195 0.000 0.256) 1.222 4.244 ( 1.195 0.000 0.256) 1.222 4.407 ( -2.707 0.000 3.243) 4.224 4.407 ( 2.707 0.000 3.243) 4.224 4.605 ( -5.946 0.000 -1.769) 6.203 4.605 ( 5.946 0.000 -1.769) 6.203 4.891 ( -1.757 0.000 -2.074) 2.718 4.891 ( 1.757 0.000 -2.074) 2.718 4.909 ( -1.411 0.000 3.716) 3.975 4.909 ( 1.411 0.000 3.716) 3.975 5.035 ( -1.091 0.000 -4.769) 4.893 5.035 ( 1.091 0.000 -4.769) 4.893 5.083 ( -0.432 0.000 4.200) 4.222 5.083 ( 0.432 0.000 4.200) 4.222 5.121 ( -1.309 0.000 1.643) 2.101 5.121 ( 1.309 0.000 1.643) 2.101 5.316 ( -3.007 0.000 -1.552) 3.384 5.316 ( 3.007 0.000 -1.552) 3.384 5.737 ( -2.332 0.000 3.904) 4.548 5.737 ( 2.332 0.000 3.904) 4.548 5.803 ( -3.235 0.000 6.853) 7.578 5.803 ( 3.235 0.000 6.853) 7.578 6.057 ( -2.640 0.000 -0.881) 2.784 6.057 ( 2.640 0.000 -0.881) 2.784 6.673 ( -0.921 0.000 0.910) 1.295 6.673 ( 0.921 0.000 0.910) 1.295 6.766 ( -0.596 0.000 -0.296) 0.666 6.766 ( 0.596 0.000 -0.296) 0.666 7.299 ( -3.434 0.000 1.250) 3.654 7.299 ( 3.434 0.000 1.250) 3.654 7.597 ( -4.064 0.000 -3.162) 5.149 7.597 ( 4.064 0.000 -3.162) 5.149 8.133 ( -2.483 0.000 2.444) 3.483 8.133 ( 2.483 0.000 2.444) 3.483 8.226 ( -9.021 0.000 -1.272) 9.110 8.226 ( 9.021 0.000 -1.272) 9.110 8.430 ( -1.906 0.000 -2.894) 3.465 8.430 ( 1.906 0.000 -2.894) 3.465 9.114 ( -2.929 0.000 4.408) 5.292 9.114 ( 2.929 0.000 4.408) 5.292 9.334 ( -4.696 0.000 -0.328) 4.708 9.334 ( 4.696 0.000 -0.328) 4.708 9.551 ( -4.134 0.000 -1.447) 4.380 9.551 ( 4.134 0.000 -1.447) 4.380 9.985 ( -3.266 0.000 1.601) 3.637 9.985 ( 3.266 0.000 1.601) 3.637 10.166 ( -6.504 0.000 1.799) 6.748 10.166 ( 6.504 0.000 1.799) 6.748 10.675 ( -5.111 0.000 2.373) 5.635 10.675 ( 5.111 0.000 2.373) 5.635 11.288 ( -18.076 0.000 2.338) 18.227 11.288 ( 18.076 0.000 2.338) 18.227 12.554 ( -2.055 0.000 2.326) 3.104 12.554 ( 2.055 0.000 2.326) 3.104 12.994 ( -2.696 0.000 -2.524) 3.693 12.994 ( 2.696 0.000 -2.524) 3.693 ======================= Grid point 75 (28/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 9.809 11.145) 14.846 0.809 ( 0.000 9.249 15.620) 18.153 1.296 ( 0.000 -1.225 -0.990) 1.575 1.306 ( 0.000 16.360 15.337) 22.425 1.395 ( 0.000 -2.551 -6.108) 6.619 1.436 ( 0.000 15.265 2.721) 15.506 1.574 ( 0.000 -1.129 -3.117) 3.316 1.592 ( 0.000 8.492 -10.030) 13.142 1.699 ( 0.000 5.038 -5.238) 7.267 1.721 ( 0.000 6.537 -6.442) 9.178 1.803 ( 0.000 -1.320 -2.336) 2.683 2.084 ( 0.000 11.749 -10.748) 15.924 2.218 ( 0.000 -4.085 2.574) 4.828 2.251 ( 0.000 -6.138 3.782) 7.210 2.428 ( 0.000 -2.682 -4.955) 5.634 2.557 ( 0.000 6.030 5.375) 8.078 2.640 ( 0.000 5.875 -1.476) 6.058 2.729 ( 0.000 5.830 7.584) 9.565 2.827 ( 0.000 0.658 -5.664) 5.702 2.848 ( 0.000 -0.094 2.751) 2.753 3.031 ( 0.000 -2.171 -4.797) 5.265 3.106 ( 0.000 -2.404 -8.395) 8.732 3.111 ( 0.000 1.166 -1.306) 1.750 3.125 ( 0.000 -1.590 -5.088) 5.331 3.172 ( 0.000 1.612 -10.438) 10.562 3.244 ( 0.000 -0.285 -0.977) 1.018 3.353 ( 0.000 0.212 -1.461) 1.476 3.418 ( 0.000 -2.462 -2.456) 3.478 3.498 ( 0.000 -2.206 -7.035) 7.373 3.538 ( 0.000 -1.507 -4.311) 4.567 3.553 ( 0.000 -3.699 -4.115) 5.533 3.666 ( 0.000 1.384 -2.918) 3.229 3.735 ( 0.000 -3.615 -9.958) 10.594 3.754 ( 0.000 1.015 5.435) 5.529 3.822 ( 0.000 1.181 0.599) 1.324 3.949 ( 0.000 -4.615 -0.293) 4.625 3.999 ( 0.000 2.515 0.534) 2.571 4.063 ( 0.000 0.526 3.544) 3.583 4.102 ( 0.000 -2.171 -4.968) 5.421 4.144 ( 0.000 -4.455 3.502) 5.666 4.186 ( 0.000 -0.449 1.858) 1.911 4.305 ( 0.000 -3.590 -0.671) 3.652 4.309 ( 0.000 4.911 3.614) 6.098 4.511 ( 0.000 4.798 1.541) 5.039 4.534 ( 0.000 4.396 -2.536) 5.075 4.579 ( 0.000 2.241 0.299) 2.261 4.854 ( 0.000 -2.778 4.242) 5.071 4.878 ( 0.000 2.673 1.181) 2.923 4.920 ( 0.000 -2.393 2.511) 3.469 4.964 ( 0.000 -8.697 0.233) 8.700 4.988 ( 0.000 -6.773 -3.786) 7.759 5.035 ( 0.000 3.854 -1.269) 4.057 5.052 ( 0.000 2.781 -2.243) 3.573 5.055 ( 0.000 -1.787 1.039) 2.067 5.161 ( 0.000 0.195 4.120) 4.124 5.196 ( 0.000 1.651 2.469) 2.970 5.301 ( 0.000 -4.927 1.506) 5.152 5.444 ( 0.000 6.276 -2.678) 6.824 5.671 ( 0.000 -3.348 4.384) 5.516 5.694 ( 0.000 -1.026 4.261) 4.383 5.737 ( 0.000 2.122 4.623) 5.087 6.002 ( 0.000 8.418 -2.542) 8.793 6.142 ( 0.000 8.662 0.098) 8.662 6.150 ( 0.000 4.646 1.766) 4.971 6.562 ( 0.000 8.241 1.715) 8.418 6.644 ( 0.000 14.339 -4.730) 15.099 7.130 ( 0.000 24.691 -0.213) 24.692 7.134 ( 0.000 20.685 -0.755) 20.698 7.330 ( 0.000 5.699 -3.438) 6.656 7.365 ( 0.000 -0.904 -8.318) 8.367 7.443 ( 0.000 1.844 1.851) 2.613 7.695 ( 0.000 -1.676 2.530) 3.035 7.940 ( 0.000 -4.482 0.978) 4.588 8.056 ( 0.000 -1.048 4.032) 4.165 8.165 ( 0.000 -4.856 -0.741) 4.913 8.332 ( 0.000 -0.012 -3.851) 3.851 8.508 ( 0.000 4.716 -2.792) 5.480 8.521 ( 0.000 -0.614 -6.871) 6.898 9.080 ( 0.000 1.864 3.337) 3.822 9.142 ( 0.000 1.569 5.193) 5.425 9.381 ( 0.000 -6.386 1.716) 6.613 9.410 ( 0.000 -5.156 1.389) 5.340 9.579 ( 0.000 -3.600 7.451) 8.275 9.624 ( 0.000 2.074 -7.245) 7.536 9.742 ( 0.000 3.890 2.585) 4.670 9.915 ( 0.000 -4.060 0.423) 4.082 10.097 ( 0.000 -2.934 -1.497) 3.293 10.320 ( 0.000 1.805 -3.262) 3.728 10.512 ( 0.000 -0.010 4.451) 4.451 10.660 ( 0.000 1.935 0.747) 2.074 10.952 ( 0.000 -0.855 7.545) 7.593 11.793 ( 0.000 -15.276 -5.605) 16.271 12.533 ( 0.000 0.136 4.807) 4.809 12.603 ( 0.000 1.981 -0.923) 2.185 12.840 ( 0.000 -0.049 2.106) 2.107 13.054 ( 0.000 -0.273 -2.556) 2.570 ======================= Grid point 76 (29/60) ======================= q-point: ( 0.25 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 6.859 8.968 10.036) 15.106 0.893 ( 6.777 8.164 12.989) 16.772 1.144 ( -7.583 3.994 3.475) 9.248 1.331 ( -7.561 12.435 4.005) 15.094 1.385 ( 5.110 11.401 9.547) 15.724 1.524 ( 5.951 -1.790 -7.061) 9.407 1.560 ( 0.263 3.955 -8.713) 9.572 1.636 ( -0.519 2.878 0.712) 3.009 1.691 ( -2.019 7.984 -6.820) 10.693 1.761 ( 4.277 3.206 -6.296) 8.259 1.777 ( 0.851 -0.016 -4.811) 4.886 2.082 ( -1.863 10.460 -10.004) 14.594 2.234 ( 1.803 -3.697 4.731) 6.269 2.258 ( 0.805 -4.695 3.238) 5.760 2.473 ( 3.689 -1.205 -3.171) 5.011 2.580 ( 1.197 6.065 1.504) 6.363 2.595 ( -3.609 4.096 -2.025) 5.823 2.625 ( -4.544 3.064 6.317) 8.363 2.762 ( -4.801 2.545 -3.856) 6.663 2.834 ( -4.761 4.884 0.739) 6.860 3.030 ( -0.329 -2.250 -2.451) 3.343 3.050 ( -1.918 -2.231 -5.034) 5.831 3.123 ( 0.607 -0.520 -2.879) 2.988 3.152 ( 1.480 -2.174 -5.449) 6.050 3.187 ( 1.796 0.958 -8.754) 8.988 3.250 ( 1.323 -0.875 -2.338) 2.825 3.331 ( 0.239 -0.917 -3.391) 3.521 3.410 ( -4.832 -1.163 -4.724) 6.857 3.495 ( 0.991 -1.302 -3.940) 4.266 3.564 ( 0.587 0.100 -4.148) 4.190 3.583 ( -0.779 -1.008 -2.646) 2.937 3.641 ( -0.764 -2.588 -6.289) 6.843 3.659 ( 1.346 2.160 -2.010) 3.243 3.802 ( -0.991 0.906 -2.048) 2.449 3.845 ( 2.599 -2.966 -0.021) 3.943 3.925 ( -1.668 -3.836 -1.664) 4.502 3.992 ( 0.123 0.632 2.058) 2.157 4.054 ( -1.388 1.294 3.529) 4.007 4.130 ( 1.256 -4.085 2.036) 4.734 4.171 ( 1.493 -4.800 -2.954) 5.831 4.200 ( 2.117 -0.048 1.758) 2.752 4.311 ( -0.245 3.127 2.512) 4.019 4.358 ( 4.003 -0.093 1.353) 4.227 4.500 ( -1.083 4.126 1.314) 4.463 4.553 ( 1.315 4.609 -0.973) 4.891 4.614 ( 1.863 -1.213 -2.338) 3.226 4.828 ( -0.815 -3.322 3.755) 5.080 4.884 ( -1.015 -1.289 1.637) 2.318 4.898 ( -0.544 -3.157 -0.638) 3.266 4.965 ( -1.981 -4.664 -3.346) 6.072 4.994 ( 0.973 -3.736 1.528) 4.152 5.031 ( 0.513 1.860 -1.441) 2.408 5.061 ( 1.954 1.026 0.493) 2.262 5.084 ( 1.449 1.056 0.697) 1.924 5.173 ( 0.867 -1.580 3.887) 4.284 5.181 ( -0.760 2.811 2.400) 3.774 5.318 ( 0.859 -2.696 0.759) 2.930 5.407 ( -2.856 5.483 -2.455) 6.652 5.631 ( -1.187 -3.363 4.221) 5.526 5.733 ( -1.717 -3.848 4.382) 6.079 5.763 ( 4.800 2.978 5.307) 7.751 5.981 ( -2.192 12.465 1.320) 12.725 6.100 ( -1.361 1.750 -0.605) 2.298 6.156 ( -0.458 8.433 -1.149) 8.523 6.574 ( 0.935 8.173 1.493) 8.361 6.629 ( -1.222 12.536 -2.491) 12.840 7.129 ( 0.037 22.559 -0.662) 22.569 7.137 ( 0.074 22.748 -0.688) 22.758 7.286 ( -0.338 3.862 -1.423) 4.130 7.382 ( -1.987 1.219 -0.323) 2.353 7.497 ( 4.641 0.886 -4.294) 6.384 7.663 ( -2.660 -1.162 1.137) 3.118 7.969 ( 2.494 -5.623 0.244) 6.156 8.083 ( 0.300 -3.045 2.936) 4.240 8.159 ( 1.681 -0.875 -0.424) 1.942 8.360 ( 1.976 -0.830 -3.603) 4.192 8.431 ( -6.476 0.339 -3.933) 7.584 8.484 ( -2.119 2.674 -2.616) 4.299 9.118 ( 1.334 2.725 5.473) 6.258 9.166 ( 2.927 1.192 1.311) 3.421 9.329 ( -6.749 -3.594 3.376) 8.358 9.400 ( -2.343 -3.616 2.185) 4.831 9.435 ( 0.998 -1.799 -0.411) 2.097 9.645 ( -3.613 1.031 -2.660) 4.603 9.856 ( 5.733 -2.341 3.219) 6.979 9.963 ( 3.906 -2.157 -0.526) 4.493 10.063 ( -0.720 -2.380 0.777) 2.605 10.289 ( -3.965 0.210 -0.597) 4.015 10.559 ( 4.418 0.154 2.648) 5.153 10.724 ( 2.087 0.486 0.530) 2.207 10.978 ( 5.278 -1.772 6.071) 8.237 11.589 ( -15.636 -11.487 -0.942) 19.425 12.533 ( 1.006 1.716 4.200) 4.647 12.602 ( -0.701 1.687 -0.101) 1.830 12.909 ( 4.422 -0.806 -0.541) 4.527 13.038 ( -1.484 -0.264 -2.266) 2.721 ======================= Grid point 77 (30/60) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -7.103 5.572 7.999) 12.062 0.919 ( 7.103 5.572 7.999) 12.062 1.136 ( -8.759 11.304 7.367) 16.087 1.136 ( 8.759 11.304 7.367) 16.087 1.507 ( -4.961 5.121 1.037) 7.205 1.507 ( 4.961 5.121 1.037) 7.205 1.618 ( -3.370 7.002 -7.250) 10.628 1.618 ( 3.370 7.002 -7.250) 10.628 1.694 ( -4.268 -2.584 -3.371) 6.022 1.694 ( 4.268 -2.584 -3.371) 6.022 1.964 ( -8.448 6.761 -7.638) 13.245 1.964 ( 8.448 6.761 -7.638) 13.245 2.273 ( -0.462 -2.841 4.591) 5.418 2.273 ( 0.462 -2.841 4.591) 5.418 2.521 ( -1.219 1.859 0.458) 2.270 2.521 ( 1.219 1.859 0.458) 2.270 2.602 ( -3.759 1.755 -3.706) 5.563 2.602 ( 3.759 1.755 -3.706) 5.563 2.720 ( -3.738 7.258 1.236) 8.257 2.720 ( 3.738 7.258 1.236) 8.257 3.023 ( -0.389 -3.150 -3.624) 4.817 3.023 ( 0.389 -3.150 -3.624) 4.817 3.135 ( -0.833 1.052 -5.195) 5.365 3.135 ( 0.833 1.052 -5.195) 5.365 3.290 ( -3.777 -2.710 -4.537) 6.496 3.290 ( 3.777 -2.710 -4.537) 6.496 3.320 ( -2.363 -2.498 -4.026) 5.295 3.320 ( 2.363 -2.498 -4.026) 5.295 3.491 ( -2.576 3.831 -2.298) 5.157 3.491 ( 2.576 3.831 -2.298) 5.157 3.628 ( -1.423 -3.164 -6.215) 7.118 3.628 ( 1.423 -3.164 -6.215) 7.118 3.745 ( -4.129 2.286 -2.088) 5.161 3.745 ( 4.129 2.286 -2.088) 5.161 3.890 ( -1.576 -4.161 -1.350) 4.650 3.890 ( 1.576 -4.161 -1.350) 4.650 4.014 ( -1.704 0.413 3.272) 3.713 4.014 ( 1.704 0.413 3.272) 3.713 4.162 ( -1.286 -5.280 -0.127) 5.436 4.162 ( 1.286 -5.280 -0.127) 5.436 4.273 ( -3.109 1.976 1.642) 4.033 4.273 ( 3.109 1.976 1.642) 4.033 4.449 ( -3.648 2.933 1.988) 5.086 4.449 ( 3.648 2.933 1.988) 5.086 4.601 ( -2.513 -0.029 -1.997) 3.210 4.601 ( 2.513 -0.029 -1.997) 3.210 4.840 ( -1.740 -3.120 3.155) 4.766 4.840 ( 1.740 -3.120 3.155) 4.766 4.919 ( -1.754 -3.349 -3.236) 4.977 4.919 ( 1.754 -3.349 -3.236) 4.977 5.017 ( -1.181 -1.855 -0.028) 2.199 5.017 ( 1.181 -1.855 -0.028) 2.199 5.105 ( -0.569 2.195 1.946) 2.988 5.105 ( 0.569 2.195 1.946) 2.988 5.181 ( -1.572 1.899 2.698) 3.654 5.181 ( 1.572 1.899 2.698) 3.654 5.342 ( -2.333 1.441 -1.317) 3.042 5.342 ( 2.333 1.441 -1.317) 3.042 5.660 ( -3.476 -4.807 4.638) 7.529 5.660 ( 3.476 -4.807 4.638) 7.529 5.885 ( -5.699 6.166 5.367) 9.965 5.885 ( 5.699 6.166 5.367) 9.965 6.124 ( -2.208 6.736 -2.794) 7.619 6.124 ( 2.208 6.736 -2.794) 7.619 6.599 ( -1.348 9.499 0.428) 9.603 6.599 ( 1.348 9.499 0.428) 9.603 7.134 ( -0.304 22.714 -0.852) 22.732 7.134 ( 0.304 22.714 -0.852) 22.732 7.321 ( -2.893 2.622 0.931) 4.014 7.321 ( 2.893 2.622 0.931) 4.014 7.591 ( -3.788 -0.258 -2.468) 4.528 7.591 ( 3.788 -0.258 -2.468) 4.528 8.036 ( -3.233 -6.010 0.895) 6.883 8.036 ( 3.233 -6.010 0.895) 6.883 8.269 ( -6.835 1.814 -1.311) 7.192 8.269 ( 6.835 1.814 -1.311) 7.192 8.425 ( -2.915 -0.202 -2.855) 4.085 8.425 ( 2.915 -0.202 -2.855) 4.085 9.155 ( -3.072 3.141 4.843) 6.539 9.155 ( 3.072 3.141 4.843) 6.539 9.314 ( -4.414 -3.018 1.015) 5.443 9.314 ( 4.414 -3.018 1.015) 5.443 9.532 ( -5.793 -1.537 -2.231) 6.395 9.532 ( 5.793 -1.537 -2.231) 6.395 9.950 ( -3.430 -3.077 1.591) 4.875 9.950 ( 3.430 -3.077 1.591) 4.875 10.164 ( -6.827 -0.357 1.510) 7.001 10.164 ( 6.827 -0.357 1.510) 7.001 10.671 ( -5.092 -0.185 2.256) 5.573 10.671 ( 5.092 -0.185 2.256) 5.573 11.230 ( -15.620 -5.967 2.233) 16.869 11.230 ( 15.620 -5.967 2.233) 16.869 12.571 ( -1.928 1.979 1.883) 3.344 12.571 ( 1.928 1.979 1.883) 3.344 12.990 ( -2.914 -0.516 -1.799) 3.464 12.990 ( 2.914 -0.516 -1.799) 3.464 ======================= Grid point 80 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 0.000 14.196 7.394) 16.006 0.987 ( 0.000 10.001 12.248) 15.812 1.302 ( 0.000 2.165 -0.529) 2.228 1.350 ( 0.000 -0.970 -3.085) 3.234 1.508 ( 0.000 -2.135 -0.976) 2.348 1.621 ( 0.000 -7.366 1.430) 7.503 1.670 ( 0.000 12.047 2.382) 12.280 1.729 ( 0.000 8.574 5.484) 10.178 1.761 ( 0.000 7.827 -7.839) 11.078 1.838 ( 0.000 7.659 -4.179) 8.725 1.987 ( 0.000 11.246 -11.054) 15.769 2.103 ( 0.000 -2.681 2.384) 3.588 2.168 ( 0.000 1.804 2.891) 3.407 2.330 ( 0.000 9.666 -7.373) 12.157 2.468 ( 0.000 7.245 -3.824) 8.192 2.678 ( 0.000 5.189 2.496) 5.758 2.770 ( 0.000 5.477 -2.806) 6.154 2.817 ( 0.000 -0.904 2.264) 2.438 2.837 ( 0.000 4.425 1.525) 4.680 2.870 ( 0.000 4.524 0.002) 4.524 2.966 ( 0.000 -3.658 -6.382) 7.356 3.029 ( 0.000 -5.582 -6.846) 8.834 3.086 ( 0.000 -2.313 -7.057) 7.426 3.131 ( 0.000 -1.551 -1.694) 2.296 3.197 ( 0.000 2.223 -7.555) 7.875 3.256 ( 0.000 1.131 0.478) 1.228 3.322 ( 0.000 -6.721 -1.524) 6.891 3.367 ( 0.000 0.922 -2.369) 2.542 3.428 ( 0.000 -5.005 -1.961) 5.375 3.480 ( 0.000 -4.265 -7.191) 8.361 3.545 ( 0.000 2.642 -1.758) 3.174 3.678 ( 0.000 -1.702 -5.607) 5.860 3.694 ( 0.000 1.698 -1.434) 2.222 3.764 ( 0.000 -4.458 -0.229) 4.464 3.829 ( 0.000 4.064 9.905) 10.706 3.903 ( 0.000 0.231 -2.572) 2.582 3.979 ( 0.000 -4.658 -1.475) 4.886 4.008 ( 0.000 -4.409 -0.303) 4.419 4.078 ( 0.000 -1.017 -1.780) 2.050 4.127 ( 0.000 1.998 3.057) 3.652 4.167 ( 0.000 -2.272 3.275) 3.987 4.262 ( 0.000 0.052 -3.925) 3.925 4.377 ( 0.000 2.693 0.736) 2.792 4.576 ( 0.000 1.951 -5.618) 5.947 4.614 ( 0.000 5.036 2.271) 5.524 4.619 ( 0.000 -1.035 0.610) 1.201 4.754 ( 0.000 -8.277 -1.721) 8.454 4.803 ( 0.000 -3.169 2.835) 4.252 4.856 ( 0.000 -4.910 -1.898) 5.264 4.870 ( 0.000 -2.957 1.406) 3.274 4.936 ( 0.000 0.678 4.975) 5.021 4.997 ( 0.000 -4.723 -1.364) 4.916 5.073 ( 0.000 -0.989 -2.075) 2.299 5.120 ( 0.000 3.927 -2.910) 4.888 5.155 ( 0.000 -0.046 2.950) 2.950 5.162 ( 0.000 -7.459 3.921) 8.427 5.262 ( 0.000 6.761 4.413) 8.074 5.382 ( 0.000 -7.758 4.118) 8.783 5.606 ( 0.000 -7.145 1.456) 7.292 5.621 ( 0.000 -2.697 1.470) 3.072 5.791 ( 0.000 1.854 6.876) 7.122 5.959 ( 0.000 -5.246 0.940) 5.329 6.257 ( 0.000 5.176 0.231) 5.181 6.259 ( 0.000 2.411 2.103) 3.200 7.039 ( 0.000 35.728 1.835) 35.775 7.161 ( 0.000 21.654 -6.052) 22.484 7.351 ( 0.000 -0.022 -5.433) 5.433 7.376 ( 0.000 9.135 -1.482) 9.255 7.489 ( 0.000 6.682 1.127) 6.777 7.569 ( 0.000 16.657 1.565) 16.730 7.596 ( 0.000 13.492 -4.694) 14.285 7.664 ( 0.000 0.766 1.339) 1.543 7.859 ( 0.000 -1.840 -0.997) 2.093 8.075 ( 0.000 4.801 4.452) 6.548 8.165 ( 0.000 6.106 -3.493) 7.035 8.330 ( 0.000 -0.184 -3.575) 3.580 8.493 ( 0.000 -1.863 -10.858) 11.016 8.594 ( 0.000 2.984 -3.995) 4.986 9.090 ( 0.000 -3.210 2.639) 4.156 9.142 ( 0.000 -7.039 2.423) 7.445 9.227 ( 0.000 -4.531 5.926) 7.460 9.274 ( 0.000 -6.637 0.678) 6.672 9.512 ( 0.000 -3.945 9.416) 10.209 9.604 ( 0.000 -5.157 -2.513) 5.737 9.770 ( 0.000 -1.016 -0.359) 1.077 9.845 ( 0.000 -2.102 -2.782) 3.487 10.099 ( 0.000 4.312 -0.519) 4.343 10.333 ( 0.000 -0.675 -3.075) 3.149 10.521 ( 0.000 1.240 5.088) 5.237 10.687 ( 0.000 0.104 -0.454) 0.466 10.942 ( 0.000 0.254 4.523) 4.531 11.453 ( 0.000 -18.249 0.182) 18.249 12.572 ( 0.000 3.898 3.995) 5.581 12.673 ( 0.000 5.528 -1.347) 5.689 12.827 ( 0.000 -1.657 2.882) 3.324 13.035 ( 0.000 -2.329 -2.048) 3.102 ======================= Grid point 81 (32/60) ======================= q-point: ( 0.25 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 5.674 13.509 7.154) 16.305 1.041 ( 4.461 8.342 11.321) 14.753 1.222 ( -3.299 4.446 3.272) 6.431 1.432 ( -3.388 -2.120 0.222) 4.003 1.456 ( 2.100 -1.049 -0.209) 2.357 1.600 ( -1.828 -7.476 1.049) 7.767 1.659 ( 0.621 11.366 -0.090) 11.383 1.734 ( -0.999 8.835 -2.829) 9.330 1.803 ( 2.323 8.965 -2.484) 9.588 1.884 ( 5.509 5.372 -4.589) 8.959 1.945 ( -2.851 11.331 -10.616) 15.787 2.145 ( 1.298 -2.098 -1.868) 3.095 2.180 ( 2.071 1.012 4.516) 5.070 2.307 ( -2.505 9.706 -1.688) 10.165 2.519 ( 3.767 6.083 -2.848) 7.701 2.646 ( -3.968 0.054 -0.467) 3.996 2.690 ( -4.528 4.796 -0.937) 6.662 2.715 ( -2.611 6.262 -1.463) 6.940 2.844 ( -1.500 3.965 -2.553) 4.949 2.909 ( 0.436 3.936 -0.023) 3.960 2.965 ( -1.484 -4.507 -4.740) 6.706 3.016 ( -1.226 -1.819 -5.167) 5.613 3.075 ( 0.931 -3.349 -0.388) 3.497 3.140 ( 0.254 0.360 -5.725) 5.742 3.180 ( 0.702 -1.264 -9.822) 9.928 3.249 ( 0.057 0.607 1.205) 1.351 3.296 ( -0.544 -2.960 -0.314) 3.026 3.372 ( -3.889 -1.888 -4.520) 6.255 3.477 ( 4.211 -1.128 -3.637) 5.677 3.510 ( 2.716 -4.568 -4.268) 6.816 3.584 ( 1.594 0.818 -2.628) 3.181 3.630 ( -3.103 0.913 -3.985) 5.132 3.695 ( 1.039 1.193 0.799) 1.772 3.765 ( -0.850 -4.156 2.191) 4.774 3.806 ( -0.311 -0.146 0.601) 0.692 3.882 ( -1.659 -0.386 -2.965) 3.420 3.977 ( -0.024 -1.539 2.799) 3.194 4.024 ( 1.688 -5.272 -0.291) 5.543 4.062 ( -2.508 -1.130 3.937) 4.803 4.114 ( -1.055 -2.025 -1.377) 2.666 4.215 ( 4.310 1.513 0.350) 4.581 4.325 ( 3.798 -0.035 -2.139) 4.359 4.393 ( 1.513 2.445 1.109) 3.081 4.566 ( -2.652 1.045 -2.721) 3.940 4.608 ( 0.555 2.517 -1.493) 2.979 4.629 ( 0.324 1.681 0.678) 1.841 4.723 ( -0.489 -6.827 -1.154) 6.941 4.802 ( -1.244 -4.140 1.068) 4.453 4.814 ( -1.035 -4.495 -0.461) 4.636 4.861 ( -0.815 -4.184 -0.725) 4.323 4.964 ( -0.881 -3.242 0.029) 3.360 4.992 ( -0.735 -5.089 -0.222) 5.146 5.099 ( 3.023 1.305 2.273) 4.001 5.103 ( 0.188 -1.201 2.893) 3.138 5.157 ( 1.139 3.576 -1.274) 3.963 5.227 ( 3.321 -5.401 2.356) 6.764 5.255 ( -0.516 5.042 4.469) 6.757 5.353 ( -2.160 -5.441 4.830) 7.589 5.571 ( -1.508 -4.641 1.373) 5.069 5.631 ( -1.465 -5.488 2.662) 6.273 5.821 ( 4.330 2.519 6.858) 8.492 6.052 ( 6.899 -2.965 -0.590) 7.532 6.145 ( -7.008 4.018 3.329) 8.737 6.279 ( -1.317 2.706 -0.963) 3.160 7.053 ( 1.350 35.361 1.456) 35.416 7.146 ( -1.629 26.043 -5.150) 26.597 7.326 ( -0.221 4.474 -1.350) 4.679 7.401 ( -0.049 3.147 -1.088) 3.330 7.469 ( -0.602 8.546 -0.193) 8.569 7.542 ( -1.914 11.956 -1.058) 12.155 7.612 ( 0.996 11.150 -0.210) 11.196 7.653 ( -0.793 2.496 1.257) 2.905 7.905 ( 3.928 1.696 -3.111) 5.290 8.089 ( -0.775 5.648 1.847) 5.993 8.183 ( 2.861 4.797 -2.683) 6.196 8.350 ( 1.947 -0.383 -3.266) 3.822 8.419 ( -5.731 -0.925 -7.097) 9.169 8.535 ( -4.748 1.974 -3.634) 6.296 9.108 ( 1.920 -10.461 2.692) 10.971 9.169 ( -1.589 0.183 6.353) 6.552 9.233 ( -0.055 -2.743 2.254) 3.551 9.248 ( 2.052 -9.250 0.325) 9.481 9.421 ( -3.715 -1.678 3.418) 5.320 9.604 ( -3.047 -6.751 -0.367) 7.416 9.824 ( 4.167 -0.213 0.772) 4.243 9.933 ( 5.362 -0.535 -2.284) 5.853 10.051 ( -1.887 2.375 1.242) 3.278 10.280 ( -4.704 -1.302 -0.981) 4.978 10.571 ( 4.193 1.402 3.508) 5.644 10.732 ( 1.677 0.131 -0.274) 1.704 10.930 ( 1.192 -2.810 4.442) 5.390 11.319 ( -10.533 -15.210 1.423) 18.556 12.594 ( 1.860 4.653 2.998) 5.839 12.668 ( -0.681 5.337 -0.686) 5.424 12.882 ( 4.064 -2.244 1.178) 4.790 13.018 ( -1.548 -2.300 -1.630) 3.216 ======================= Grid point 82 (33/60) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( -2.881 11.030 6.715) 13.231 1.085 ( 2.881 11.030 6.715) 13.231 1.261 ( -7.968 2.664 8.572) 12.003 1.261 ( 7.968 2.664 8.572) 12.003 1.545 ( -3.345 -5.442 -1.771) 6.628 1.545 ( 3.345 -5.442 -1.771) 6.628 1.696 ( -2.286 8.940 -2.975) 9.695 1.696 ( 2.286 8.940 -2.975) 9.695 1.858 ( -3.441 10.782 -5.954) 12.788 1.858 ( 3.441 10.782 -5.954) 12.788 2.067 ( -7.920 2.344 -6.164) 10.306 2.067 ( 7.920 2.344 -6.164) 10.306 2.246 ( -2.883 3.030 4.868) 6.418 2.246 ( 2.883 3.030 4.868) 6.418 2.573 ( -1.815 3.400 0.083) 3.855 2.573 ( 1.815 3.400 0.083) 3.855 2.667 ( -2.679 4.541 -5.222) 7.421 2.667 ( 2.679 4.541 -5.222) 7.421 2.859 ( -3.285 4.395 -3.018) 6.262 2.859 ( 3.285 4.395 -3.018) 6.262 2.967 ( -1.984 -0.869 -0.983) 2.378 2.967 ( 1.984 -0.869 -0.983) 2.378 3.123 ( -1.908 -2.509 -6.501) 7.225 3.123 ( 1.908 -2.509 -6.501) 7.225 3.241 ( -3.180 -1.958 -0.748) 3.809 3.241 ( 3.180 -1.958 -0.748) 3.809 3.289 ( -1.798 -0.732 -3.855) 4.316 3.289 ( 1.798 -0.732 -3.855) 4.316 3.540 ( -1.628 -0.733 -6.393) 6.638 3.540 ( 1.628 -0.733 -6.393) 6.638 3.589 ( -1.792 1.048 0.205) 2.086 3.589 ( 1.792 1.048 0.205) 2.086 3.735 ( -1.561 -3.526 0.539) 3.894 3.735 ( 1.561 -3.526 0.539) 3.894 3.833 ( -2.488 -0.651 -2.255) 3.420 3.833 ( 2.488 -0.651 -2.255) 3.420 4.002 ( -2.283 -1.378 4.592) 5.310 4.002 ( 2.283 -1.378 4.592) 5.310 4.072 ( -2.380 -3.686 -1.012) 4.503 4.072 ( 2.380 -3.686 -1.012) 4.503 4.315 ( -3.840 2.202 0.191) 4.431 4.315 ( 3.840 2.202 0.191) 4.431 4.480 ( -4.935 -0.193 -1.064) 5.052 4.480 ( 4.935 -0.193 -1.064) 5.052 4.619 ( -0.588 2.218 -1.565) 2.778 4.619 ( 0.588 2.218 -1.565) 2.778 4.755 ( -2.326 -5.293 -0.295) 5.790 4.755 ( 2.326 -5.293 -0.295) 5.790 4.831 ( -1.654 -3.959 -1.587) 4.575 4.831 ( 1.654 -3.959 -1.587) 4.575 4.959 ( -1.116 -5.883 -0.390) 6.001 4.959 ( 1.116 -5.883 -0.390) 6.001 5.121 ( -1.689 0.004 2.023) 2.636 5.121 ( 1.689 0.004 2.023) 2.636 5.217 ( -3.400 3.414 3.540) 5.978 5.217 ( 3.400 3.414 3.540) 5.978 5.301 ( -2.902 -3.722 3.337) 5.780 5.301 ( 2.902 -3.722 3.337) 5.780 5.575 ( -2.181 -4.536 2.851) 5.784 5.575 ( 2.181 -4.536 2.851) 5.784 5.971 ( -8.260 3.544 5.298) 10.433 5.971 ( 8.260 3.544 5.298) 10.433 6.200 ( -5.699 0.132 -1.782) 5.972 6.200 ( 5.699 0.132 -1.782) 5.972 7.096 ( -2.474 32.739 -0.915) 32.845 7.096 ( 2.474 32.739 -0.915) 32.845 7.357 ( -2.611 3.796 0.631) 4.650 7.357 ( 2.611 3.796 0.631) 4.650 7.496 ( -2.159 8.598 -1.758) 9.038 7.496 ( 2.159 8.598 -1.758) 9.038 7.634 ( -0.958 6.280 0.995) 6.430 7.634 ( 0.958 6.280 0.995) 6.430 8.012 ( -5.195 6.119 -2.773) 8.492 8.012 ( 5.195 6.119 -2.773) 8.492 8.287 ( -5.680 0.957 -2.516) 6.285 8.287 ( 5.680 0.957 -2.516) 6.285 8.424 ( -4.612 -0.018 -3.131) 5.574 8.424 ( 4.612 -0.018 -3.131) 5.574 9.136 ( -0.674 -9.220 3.874) 10.023 9.136 ( 0.674 -9.220 3.874) 10.023 9.248 ( -2.926 -0.138 3.549) 4.602 9.248 ( 2.926 -0.138 3.549) 4.602 9.478 ( -7.080 -5.270 -1.625) 8.975 9.478 ( 7.080 -5.270 -1.625) 8.975 9.919 ( -3.987 1.318 0.773) 4.270 9.919 ( 3.987 1.318 0.773) 4.270 10.146 ( -7.106 -1.705 0.572) 7.330 10.146 ( 7.106 -1.705 0.572) 7.330 10.679 ( -5.032 1.369 2.260) 5.684 10.679 ( 5.032 1.369 2.260) 5.684 11.074 ( -10.495 -9.796 2.332) 14.545 11.074 ( 10.495 -9.796 2.332) 14.545 12.639 ( -1.913 5.216 0.954) 5.638 12.639 ( 1.913 5.216 0.954) 5.638 12.966 ( -3.221 -2.362 -0.606) 4.040 12.966 ( 3.221 -2.362 -0.606) 4.040 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 87 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 0.000 11.020 3.701) 11.625 1.196 ( 0.000 11.208 5.512) 12.490 1.312 ( 0.000 -4.230 0.248) 4.238 1.366 ( 0.000 0.290 -0.104) 0.309 1.469 ( 0.000 -3.108 3.213) 4.470 1.503 ( 0.000 2.110 0.837) 2.270 1.678 ( 0.000 -7.274 4.685) 8.652 1.705 ( 0.000 -7.645 6.446) 10.000 1.876 ( 0.000 3.983 -6.915) 7.980 1.901 ( 0.000 1.125 -6.323) 6.422 2.177 ( 0.000 8.732 -9.595) 12.973 2.219 ( 0.000 6.327 -8.728) 10.780 2.346 ( 0.000 10.585 0.599) 10.602 2.436 ( 0.000 2.139 3.887) 4.436 2.630 ( 0.000 6.403 -6.297) 8.981 2.715 ( 0.000 -1.579 -3.070) 3.453 2.751 ( 0.000 1.018 2.988) 3.157 2.867 ( 0.000 -8.151 -0.712) 8.182 2.893 ( 0.000 0.667 -1.397) 1.548 2.908 ( 0.000 -1.781 -4.635) 4.965 2.951 ( 0.000 8.170 -7.080) 10.811 3.003 ( 0.000 6.118 1.036) 6.205 3.040 ( 0.000 -2.233 -8.803) 9.082 3.085 ( 0.000 -2.033 -5.026) 5.422 3.169 ( 0.000 -4.043 -1.352) 4.263 3.201 ( 0.000 -5.967 -4.279) 7.342 3.293 ( 0.000 1.770 0.175) 1.779 3.327 ( 0.000 -3.549 2.546) 4.368 3.402 ( 0.000 1.360 -0.796) 1.576 3.419 ( 0.000 -1.709 -3.953) 4.307 3.637 ( 0.000 5.224 -3.103) 6.076 3.651 ( 0.000 -0.860 -3.406) 3.512 3.680 ( 0.000 -0.455 1.722) 1.781 3.743 ( 0.000 2.077 -3.860) 4.384 3.857 ( 0.000 -3.549 1.114) 3.719 3.859 ( 0.000 -6.713 1.729) 6.932 3.968 ( 0.000 7.253 6.119) 9.489 3.984 ( 0.000 1.872 -2.474) 3.102 4.036 ( 0.000 -2.973 -1.268) 3.232 4.091 ( 0.000 -5.268 5.997) 7.982 4.196 ( 0.000 5.229 -0.538) 5.257 4.279 ( 0.000 -0.885 -4.988) 5.066 4.420 ( 0.000 1.620 -1.112) 1.965 4.484 ( 0.000 -7.465 -0.914) 7.521 4.630 ( 0.000 3.463 -3.133) 4.670 4.674 ( 0.000 0.714 -0.441) 0.839 4.720 ( 0.000 0.971 -0.980) 1.380 4.735 ( 0.000 -2.562 -0.360) 2.587 4.819 ( 0.000 -0.367 -0.447) 0.578 4.846 ( 0.000 1.869 1.461) 2.372 4.872 ( 0.000 -6.532 -1.966) 6.821 4.910 ( 0.000 -3.410 1.828) 3.869 5.078 ( 0.000 1.004 1.615) 1.902 5.092 ( 0.000 2.084 4.453) 4.916 5.105 ( 0.000 -2.292 1.701) 2.855 5.207 ( 0.000 -6.674 5.495) 8.646 5.275 ( 0.000 6.581 -3.112) 7.279 5.406 ( 0.000 5.236 5.018) 7.252 5.451 ( 0.000 -6.562 -2.338) 6.966 5.545 ( 0.000 -5.477 2.212) 5.907 5.820 ( 0.000 1.658 7.129) 7.319 5.868 ( 0.000 -3.665 4.758) 6.006 6.303 ( 0.000 2.097 0.533) 2.164 6.319 ( 0.000 1.029 -0.630) 1.207 7.335 ( 0.000 2.727 -1.000) 2.904 7.347 ( 0.000 0.743 -1.836) 1.981 7.491 ( 0.000 3.665 1.343) 3.903 7.531 ( 0.000 2.355 2.571) 3.487 7.631 ( 0.000 4.003 3.155) 5.097 7.674 ( 0.000 1.763 2.668) 3.197 7.758 ( 0.000 11.377 -1.208) 11.441 7.805 ( 0.000 7.527 -3.685) 8.381 8.030 ( 0.000 13.433 -2.283) 13.626 8.224 ( 0.000 -5.485 0.395) 5.500 8.276 ( 0.000 14.298 1.442) 14.370 8.361 ( 0.000 5.491 -2.013) 5.848 8.543 ( 0.000 6.870 -11.955) 13.789 8.580 ( 0.000 -4.305 -0.262) 4.313 8.865 ( 0.000 -14.729 -1.842) 14.844 8.904 ( 0.000 -12.746 -6.252) 14.197 9.236 ( 0.000 1.439 7.939) 8.068 9.240 ( 0.000 0.932 4.651) 4.743 9.437 ( 0.000 -2.485 7.723) 8.113 9.474 ( 0.000 -6.164 1.352) 6.310 9.769 ( 0.000 1.766 -3.028) 3.505 9.814 ( 0.000 -2.089 -3.711) 4.258 10.214 ( 0.000 5.951 -1.612) 6.165 10.298 ( 0.000 -2.950 -2.960) 4.179 10.570 ( 0.000 3.980 5.521) 6.806 10.652 ( 0.000 -3.646 2.641) 4.502 10.983 ( 0.000 4.756 1.753) 5.069 11.148 ( 0.000 -12.733 1.296) 12.799 12.669 ( 0.000 5.694 3.297) 6.580 12.769 ( 0.000 -4.345 3.224) 5.410 12.807 ( 0.000 8.013 -1.709) 8.193 12.952 ( 0.000 -6.348 -1.870) 6.617 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.25 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 3.158 8.060 5.661) 10.344 1.238 ( 2.615 9.713 4.370) 10.967 1.286 ( -1.081 -0.160 2.365) 2.605 1.380 ( -0.954 -3.998 1.184) 4.278 1.470 ( 0.861 2.471 3.350) 4.251 1.512 ( 0.499 3.314 1.782) 3.796 1.677 ( -0.095 -7.561 4.617) 8.860 1.711 ( -0.177 -8.520 5.283) 10.027 1.915 ( 3.427 4.132 -6.811) 8.672 1.947 ( 4.788 1.240 -7.033) 8.598 2.135 ( -3.598 8.357 -9.202) 12.941 2.202 ( -2.591 2.451 -9.320) 9.980 2.344 ( 0.961 11.606 0.764) 11.671 2.456 ( 0.800 4.538 3.769) 5.953 2.609 ( -4.681 -1.419 -0.035) 4.892 2.652 ( -1.500 3.135 -2.039) 4.029 2.749 ( -2.607 1.200 -2.872) 4.060 2.796 ( -0.869 1.384 -5.987) 6.206 2.867 ( -1.840 -0.591 -2.738) 3.351 2.882 ( -2.577 -1.314 -5.616) 6.317 2.961 ( 2.014 -2.112 -3.890) 4.863 2.996 ( -0.589 -4.224 -2.317) 4.854 3.050 ( -0.621 7.559 -4.541) 8.840 3.133 ( 0.863 0.361 -2.968) 3.112 3.154 ( 0.782 -2.833 -7.241) 7.815 3.219 ( 2.565 -4.002 0.952) 4.848 3.291 ( -0.578 2.912 0.860) 3.091 3.344 ( -0.394 -2.320 -1.181) 2.633 3.442 ( 2.594 -1.150 -1.514) 3.216 3.454 ( 3.366 -1.233 -1.631) 3.939 3.606 ( -2.140 0.314 -2.089) 3.007 3.627 ( -2.288 -1.527 -3.475) 4.432 3.685 ( 1.157 3.124 0.685) 3.401 3.762 ( 1.511 -0.693 -2.229) 2.781 3.818 ( -3.378 1.263 2.204) 4.227 3.865 ( -0.363 -2.133 0.841) 2.322 3.953 ( 0.216 -0.133 -0.175) 0.308 3.964 ( 0.177 -0.367 3.307) 3.332 4.037 ( -1.444 -0.756 1.680) 2.341 4.066 ( -1.873 -2.976 1.582) 3.856 4.259 ( 4.690 3.809 -0.471) 6.060 4.332 ( 4.010 -1.068 -3.471) 5.411 4.420 ( -0.403 0.759 -0.714) 1.118 4.480 ( -0.692 -6.300 -1.480) 6.508 4.648 ( 1.494 3.013 -2.561) 4.227 4.669 ( 0.022 1.850 -0.717) 1.984 4.707 ( -0.686 1.938 -0.609) 2.145 4.743 ( 0.638 -3.103 -0.836) 3.277 4.773 ( -3.303 1.835 -0.648) 3.834 4.804 ( -2.185 -1.271 0.010) 2.528 4.846 ( -2.177 -6.516 -1.283) 6.988 4.875 ( -3.249 -6.360 -0.297) 7.148 5.091 ( 1.275 0.828 2.377) 2.822 5.133 ( 2.876 -1.620 2.082) 3.903 5.146 ( 2.673 1.121 4.201) 5.104 5.220 ( -0.451 -4.509 3.613) 5.795 5.278 ( 1.865 7.398 -0.084) 7.630 5.405 ( -0.977 6.208 5.389) 8.278 5.438 ( -0.213 -7.530 -0.942) 7.592 5.532 ( -1.727 -5.693 3.289) 6.798 5.880 ( 5.957 3.859 5.715) 9.113 5.967 ( 7.721 -5.030 2.667) 9.593 6.225 ( -6.171 4.160 1.422) 7.577 6.287 ( -3.833 -1.753 -0.556) 4.251 7.355 ( 1.829 2.958 -0.807) 3.571 7.372 ( 2.181 0.978 -1.553) 2.850 7.469 ( -2.047 3.289 0.733) 3.942 7.503 ( -2.464 1.915 1.272) 3.370 7.654 ( 1.921 5.565 2.719) 6.485 7.681 ( 0.812 4.337 2.548) 5.095 7.750 ( -0.714 9.933 0.440) 9.969 7.778 ( -2.190 6.696 -0.524) 7.065 8.085 ( 4.605 11.448 -4.225) 13.042 8.241 ( -0.058 1.874 0.304) 1.899 8.279 ( 1.541 4.873 -0.919) 5.192 8.341 ( -1.272 4.108 -3.140) 5.325 8.512 ( -2.525 5.095 -5.402) 7.843 8.577 ( -1.570 9.209 -5.414) 10.797 8.813 ( -0.848 -16.470 0.132) 16.492 8.943 ( -1.338 -17.178 -2.976) 17.485 9.215 ( 1.956 1.233 5.175) 5.668 9.231 ( -0.146 -0.156 4.286) 4.292 9.383 ( -3.801 -0.583 4.643) 6.028 9.450 ( -2.950 -7.222 2.047) 8.065 9.851 ( 6.295 2.983 -1.386) 7.103 9.911 ( 7.272 -2.412 -2.264) 7.989 10.145 ( -5.421 5.860 -0.638) 8.008 10.236 ( -5.241 -3.420 -1.702) 6.486 10.624 ( 4.418 4.150 4.342) 7.456 10.707 ( 4.503 -3.395 2.001) 5.984 10.914 ( -5.364 2.734 2.621) 6.566 11.054 ( -7.516 -11.431 1.830) 13.803 12.703 ( 2.673 6.302 2.233) 7.200 12.798 ( -0.834 7.375 -0.920) 7.479 12.815 ( 3.367 -4.512 1.733) 5.891 12.938 ( -1.350 -6.116 -1.346) 6.406 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -1.548 5.046 4.820) 7.148 1.267 ( 1.548 5.046 4.820) 7.148 1.303 ( -4.649 1.465 4.570) 6.681 1.303 ( 4.649 1.465 4.570) 6.681 1.505 ( -1.380 4.831 2.812) 5.757 1.505 ( 1.380 4.831 2.812) 5.757 1.688 ( -1.272 -9.227 3.763) 10.046 1.688 ( 1.272 -9.227 3.763) 10.046 2.020 ( -5.165 6.820 -7.123) 11.132 2.020 ( 5.165 6.820 -7.123) 11.132 2.095 ( -6.330 -0.433 -8.450) 10.567 2.095 ( 6.330 -0.433 -8.450) 10.567 2.406 ( -4.290 11.434 1.738) 12.336 2.406 ( 4.290 11.434 1.738) 12.336 2.585 ( -2.606 -4.875 -0.513) 5.552 2.585 ( 2.606 -4.875 -0.513) 5.552 2.762 ( -2.345 5.401 -5.927) 8.354 2.762 ( 2.345 5.401 -5.927) 8.354 2.847 ( -0.532 -2.537 -3.716) 4.531 2.847 ( 0.532 -2.537 -3.716) 4.531 2.998 ( -1.786 1.657 -4.803) 5.386 2.998 ( 1.786 1.657 -4.803) 5.386 3.061 ( -3.948 -3.789 -4.375) 7.006 3.061 ( 3.948 -3.789 -4.375) 7.006 3.245 ( -3.785 2.834 0.186) 4.732 3.245 ( 3.785 2.834 0.186) 4.732 3.287 ( -3.493 -0.441 -1.332) 3.764 3.287 ( 3.493 -0.441 -1.332) 3.764 3.511 ( -1.195 -0.046 -3.963) 4.140 3.511 ( 1.195 -0.046 -3.963) 4.140 3.566 ( -1.451 -4.541 -1.304) 4.943 3.566 ( 1.451 -4.541 -1.304) 4.943 3.739 ( -3.401 4.647 2.356) 6.222 3.739 ( 3.401 4.647 2.356) 6.222 3.817 ( -3.208 -2.253 -0.425) 3.943 3.817 ( 3.208 -2.253 -0.425) 3.943 3.983 ( -2.018 0.101 2.037) 2.869 3.983 ( 2.018 0.101 2.037) 2.869 4.014 ( -2.428 -2.636 0.897) 3.694 4.014 ( 2.428 -2.636 0.897) 3.694 4.359 ( -3.486 2.946 -0.889) 4.649 4.359 ( 3.486 2.946 -0.889) 4.649 4.435 ( -3.078 -4.246 -2.253) 5.708 4.435 ( 3.078 -4.246 -2.253) 5.708 4.679 ( -0.957 3.988 0.372) 4.118 4.679 ( 0.957 3.988 0.372) 4.118 4.711 ( -2.103 1.238 -2.497) 3.491 4.711 ( 2.103 1.238 -2.497) 3.491 4.767 ( -1.329 -2.847 -1.095) 3.327 4.767 ( 1.329 -2.847 -1.095) 3.327 4.816 ( -1.001 -7.596 -1.080) 7.738 4.816 ( 1.001 -7.596 -1.080) 7.738 5.138 ( -2.524 1.975 2.374) 3.988 5.138 ( 2.524 1.975 2.374) 3.988 5.195 ( -2.165 -3.715 2.332) 4.891 5.195 ( 2.165 -3.715 2.332) 4.891 5.349 ( -3.665 6.439 4.008) 8.424 5.349 ( 3.665 6.439 4.008) 8.424 5.473 ( -2.995 -6.130 2.843) 7.391 5.473 ( 2.995 -6.130 2.843) 7.391 6.053 ( -8.803 5.153 3.290) 10.718 6.053 ( 8.803 5.153 3.290) 10.718 6.152 ( -8.054 -4.509 0.463) 9.242 6.152 ( 8.054 -4.509 0.463) 9.242 7.409 ( -2.732 3.123 -0.093) 4.150 7.409 ( 2.732 3.123 -0.093) 4.150 7.436 ( -3.144 1.387 -0.731) 3.513 7.436 ( 3.144 1.387 -0.731) 3.513 7.695 ( -0.855 10.179 1.243) 10.290 7.695 ( 0.855 10.179 1.243) 10.290 7.736 ( -0.487 3.649 2.855) 4.659 7.736 ( 0.487 3.649 2.855) 4.659 8.193 ( -4.208 8.858 -2.409) 10.098 8.193 ( 4.208 8.858 -2.409) 10.098 8.320 ( -1.014 -2.163 -4.601) 5.184 8.320 ( 1.014 -2.163 -4.601) 5.184 8.502 ( -2.977 14.257 -3.183) 14.909 8.502 ( 2.977 14.257 -3.183) 14.909 8.858 ( -4.271 -18.426 0.942) 18.938 8.858 ( 4.271 -18.426 0.942) 18.938 9.270 ( -2.395 2.121 3.973) 5.101 9.270 ( 2.395 2.121 3.973) 5.101 9.350 ( -4.751 -6.388 1.426) 8.088 9.350 ( 4.751 -6.388 1.426) 8.088 9.997 ( -6.028 5.544 -0.581) 8.211 9.997 ( 6.028 5.544 -0.581) 8.211 10.092 ( -6.941 -3.981 -0.589) 8.023 10.092 ( 6.941 -3.981 -0.589) 8.023 10.739 ( -5.031 5.263 2.632) 7.742 10.739 ( 5.031 5.263 2.632) 7.742 10.883 ( -6.394 -9.400 2.713) 11.688 10.883 ( 6.394 -9.400 2.713) 11.688 12.762 ( -2.361 7.184 0.310) 7.568 12.762 ( 2.361 7.184 0.310) 7.568 12.890 ( -3.000 -5.607 0.019) 6.359 12.890 ( 3.000 -5.607 0.019) 6.359 ======================= Grid point 105 (37/60) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.000 0.000 12.862) 12.862 0.931 ( 0.000 0.000 10.949) 10.949 1.262 ( 0.000 0.000 -5.878) 5.878 1.271 ( 0.000 0.000 -10.069) 10.069 1.319 ( 0.000 0.000 -2.712) 2.712 1.343 ( 0.000 0.000 1.642) 1.642 1.424 ( 0.000 0.000 3.060) 3.060 1.440 ( 0.000 0.000 -6.090) 6.090 1.491 ( 0.000 0.000 -1.373) 1.373 1.690 ( 0.000 0.000 7.623) 7.623 1.710 ( 0.000 0.000 -11.726) 11.726 1.871 ( 0.000 0.000 0.184) 0.184 2.357 ( 0.000 0.000 7.019) 7.019 2.380 ( 0.000 0.000 1.933) 1.933 2.403 ( 0.000 0.000 -2.448) 2.448 2.558 ( 0.000 0.000 3.094) 3.094 2.589 ( 0.000 0.000 3.295) 3.295 2.691 ( 0.000 0.000 -8.226) 8.226 2.766 ( 0.000 0.000 -7.067) 7.067 2.788 ( 0.000 0.000 1.682) 1.682 2.950 ( 0.000 0.000 -5.265) 5.265 2.998 ( 0.000 0.000 -5.662) 5.662 3.016 ( 0.000 0.000 -1.823) 1.823 3.029 ( 0.000 0.000 -7.332) 7.332 3.147 ( 0.000 0.000 6.067) 6.067 3.227 ( 0.000 0.000 0.442) 0.442 3.363 ( 0.000 0.000 2.142) 2.142 3.379 ( 0.000 0.000 -4.516) 4.516 3.411 ( 0.000 0.000 -5.393) 5.393 3.452 ( 0.000 0.000 -6.624) 6.624 3.455 ( 0.000 0.000 -5.029) 5.029 3.577 ( 0.000 0.000 -9.208) 9.208 3.630 ( 0.000 0.000 1.951) 1.951 3.728 ( 0.000 0.000 -3.207) 3.207 3.851 ( 0.000 0.000 2.497) 2.497 4.006 ( 0.000 0.000 -6.540) 6.540 4.010 ( 0.000 0.000 3.414) 3.414 4.101 ( 0.000 0.000 1.192) 1.192 4.105 ( 0.000 0.000 9.064) 9.064 4.234 ( 0.000 0.000 1.492) 1.492 4.265 ( 0.000 0.000 0.929) 0.929 4.320 ( 0.000 0.000 4.488) 4.488 4.362 ( 0.000 0.000 -3.202) 3.202 4.474 ( 0.000 0.000 4.882) 4.882 4.480 ( 0.000 0.000 1.856) 1.856 4.504 ( 0.000 0.000 -4.785) 4.785 4.841 ( 0.000 0.000 -0.559) 0.559 4.923 ( 0.000 0.000 -4.317) 4.317 4.924 ( 0.000 0.000 -1.515) 1.515 4.942 ( 0.000 0.000 -2.203) 2.203 4.992 ( 0.000 0.000 2.819) 2.819 5.042 ( 0.000 0.000 4.302) 4.302 5.081 ( 0.000 0.000 -1.149) 1.149 5.145 ( 0.000 0.000 2.270) 2.270 5.149 ( 0.000 0.000 -1.371) 1.371 5.193 ( 0.000 0.000 -0.341) 0.341 5.239 ( 0.000 0.000 4.093) 4.093 5.341 ( 0.000 0.000 -0.436) 0.436 5.782 ( 0.000 0.000 3.124) 3.124 5.803 ( 0.000 0.000 4.776) 4.776 5.851 ( 0.000 0.000 3.288) 3.288 5.857 ( 0.000 0.000 0.810) 0.810 6.134 ( 0.000 0.000 1.307) 1.307 6.155 ( 0.000 0.000 1.494) 1.494 6.668 ( 0.000 0.000 1.564) 1.564 6.702 ( 0.000 0.000 0.101) 0.101 6.753 ( 0.000 0.000 0.216) 0.216 6.773 ( 0.000 0.000 -0.646) 0.646 7.234 ( 0.000 0.000 -2.556) 2.556 7.240 ( 0.000 0.000 -4.385) 4.385 7.491 ( 0.000 0.000 4.253) 4.253 7.686 ( 0.000 0.000 -4.459) 4.459 8.090 ( 0.000 0.000 7.894) 7.894 8.136 ( 0.000 0.000 3.550) 3.550 8.260 ( 0.000 0.000 -3.610) 3.610 8.263 ( 0.000 0.000 2.340) 2.340 8.398 ( 0.000 0.000 -7.320) 7.320 8.404 ( 0.000 0.000 -3.598) 3.598 9.115 ( 0.000 0.000 2.919) 2.919 9.193 ( 0.000 0.000 1.224) 1.224 9.475 ( 0.000 0.000 2.203) 2.203 9.476 ( 0.000 0.000 -2.328) 2.328 9.494 ( 0.000 0.000 1.272) 1.272 9.594 ( 0.000 0.000 -3.936) 3.936 9.843 ( 0.000 0.000 7.936) 7.936 9.982 ( 0.000 0.000 0.568) 0.568 10.127 ( 0.000 0.000 0.893) 0.893 10.226 ( 0.000 0.000 -3.969) 3.969 10.563 ( 0.000 0.000 1.611) 1.611 10.643 ( 0.000 0.000 -1.647) 1.647 11.194 ( 0.000 0.000 14.904) 14.904 11.741 ( 0.000 0.000 -12.434) 12.434 12.581 ( 0.000 0.000 0.262) 0.262 12.590 ( 0.000 0.000 1.055) 1.055 12.878 ( 0.000 0.000 2.449) 2.449 12.993 ( 0.000 0.000 -3.471) 3.471 ======================= Grid point 106 (38/60) ======================= q-point: ( 0.25 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 6.261 0.000 12.183) 13.697 0.970 ( 3.433 0.000 8.846) 9.489 1.196 ( -5.576 0.000 2.318) 6.038 1.201 ( -5.250 0.000 -0.648) 5.290 1.312 ( 0.668 0.000 -4.799) 4.846 1.390 ( 4.048 0.000 -3.770) 5.531 1.409 ( -2.104 0.000 -7.736) 8.017 1.478 ( 1.997 0.000 -4.855) 5.250 1.588 ( 6.721 0.000 -2.374) 7.128 1.709 ( 2.283 0.000 7.588) 7.924 1.742 ( 1.573 0.000 -10.190) 10.311 1.840 ( -2.465 0.000 0.787) 2.588 2.326 ( -0.448 0.000 2.590) 2.628 2.383 ( -0.095 0.000 2.673) 2.675 2.472 ( 4.068 0.000 0.941) 4.176 2.549 ( -1.217 0.000 2.127) 2.450 2.559 ( -2.289 0.000 2.894) 3.690 2.648 ( -3.789 0.000 -4.937) 6.223 2.696 ( -3.622 0.000 1.416) 3.889 2.742 ( -3.631 0.000 -4.096) 5.474 2.951 ( -0.046 0.000 -5.429) 5.430 2.970 ( -2.221 0.000 -3.076) 3.794 2.989 ( -0.811 0.000 -7.002) 7.048 3.016 ( -1.280 0.000 -6.849) 6.968 3.222 ( 0.227 0.000 -0.728) 0.763 3.245 ( 6.945 0.000 5.082) 8.606 3.304 ( -2.827 0.000 -0.280) 2.841 3.361 ( -2.772 0.000 -1.070) 2.971 3.424 ( -2.744 0.000 -5.700) 6.326 3.434 ( 1.692 0.000 -4.406) 4.720 3.499 ( 1.390 0.000 -6.460) 6.608 3.534 ( -1.720 0.000 -8.043) 8.225 3.626 ( 0.952 0.000 2.641) 2.807 3.727 ( -0.683 0.000 -2.906) 2.985 3.884 ( 2.010 0.000 0.891) 2.199 3.967 ( -2.198 0.000 -1.296) 2.552 4.026 ( 1.396 0.000 3.536) 3.801 4.093 ( -0.835 0.000 2.153) 2.309 4.208 ( 5.688 0.000 4.252) 7.102 4.243 ( 0.828 0.000 1.134) 1.404 4.272 ( 0.378 0.000 0.374) 0.532 4.306 ( -0.651 0.000 3.647) 3.704 4.425 ( 4.817 0.000 -2.525) 5.439 4.458 ( -0.791 0.000 3.804) 3.885 4.475 ( -0.648 0.000 1.738) 1.855 4.553 ( 3.060 0.000 -6.417) 7.109 4.840 ( -0.030 0.000 -1.342) 1.342 4.890 ( -1.864 0.000 -2.075) 2.789 4.931 ( 1.122 0.000 -2.423) 2.670 4.971 ( 0.883 0.000 -2.598) 2.744 4.981 ( -1.363 0.000 2.560) 2.900 4.997 ( -2.201 0.000 2.985) 3.709 5.104 ( 1.179 0.000 0.103) 1.183 5.136 ( -0.653 0.000 -0.177) 0.677 5.149 ( 0.333 0.000 2.196) 2.221 5.179 ( -1.047 0.000 0.472) 1.149 5.261 ( 1.700 0.000 2.718) 3.206 5.343 ( -0.348 0.000 -0.403) 0.533 5.777 ( -0.909 0.000 4.316) 4.411 5.818 ( 3.261 0.000 3.657) 4.900 5.842 ( -1.485 0.000 1.963) 2.461 5.898 ( 3.271 0.000 1.057) 3.438 6.067 ( -4.689 0.000 1.706) 4.990 6.126 ( -3.244 0.000 -0.064) 3.245 6.676 ( 0.584 0.000 1.304) 1.429 6.699 ( -0.275 0.000 0.278) 0.391 6.755 ( 0.221 0.000 0.181) 0.286 6.771 ( -0.255 0.000 -0.471) 0.536 7.238 ( 2.540 0.000 -0.193) 2.547 7.315 ( 2.949 0.000 -4.151) 5.092 7.500 ( 1.505 0.000 3.756) 4.046 7.665 ( -2.343 0.000 -2.716) 3.587 8.105 ( 2.017 0.000 5.008) 5.398 8.154 ( 1.458 0.000 3.726) 4.002 8.230 ( -1.525 0.000 2.656) 3.063 8.307 ( 2.570 0.000 -3.485) 4.331 8.337 ( -5.227 0.000 -5.376) 7.498 8.396 ( -0.858 0.000 -3.860) 3.955 9.147 ( 2.346 0.000 0.854) 2.497 9.162 ( -1.680 0.000 0.891) 1.902 9.364 ( -6.207 0.000 2.041) 6.534 9.446 ( -4.216 0.000 0.229) 4.222 9.488 ( 1.213 0.000 1.258) 1.748 9.573 ( -1.788 0.000 -3.119) 3.596 9.945 ( 5.262 0.000 3.359) 6.243 10.004 ( 2.317 0.000 0.744) 2.434 10.127 ( 0.845 0.000 2.824) 2.948 10.246 ( -0.332 0.000 -3.135) 3.152 10.603 ( 4.310 0.000 2.427) 4.946 10.712 ( 4.407 0.000 -1.967) 4.826 11.182 ( 0.494 0.000 11.929) 11.940 11.598 ( -11.722 0.000 -8.189) 14.299 12.572 ( -0.082 0.000 1.302) 1.305 12.592 ( -0.257 0.000 0.119) 0.283 12.911 ( 2.392 0.000 0.846) 2.538 12.986 ( -0.699 0.000 -2.744) 2.832 ======================= Grid point 107 (39/60) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -7.485 0.000 9.490) 12.086 1.050 ( 7.485 0.000 9.490) 12.086 1.073 ( -5.763 0.000 4.293) 7.187 1.073 ( 5.763 0.000 4.293) 7.187 1.354 ( -2.678 0.000 -6.400) 6.937 1.354 ( 2.678 0.000 -6.400) 6.937 1.471 ( -2.459 0.000 -6.506) 6.956 1.471 ( 2.459 0.000 -6.506) 6.956 1.720 ( -4.102 0.000 -6.280) 7.501 1.720 ( 4.102 0.000 -6.280) 7.501 1.777 ( -3.246 0.000 3.925) 5.094 1.777 ( 3.246 0.000 3.925) 5.094 2.354 ( -2.322 0.000 0.968) 2.516 2.354 ( 2.322 0.000 0.968) 2.516 2.523 ( -0.542 0.000 1.774) 1.855 2.523 ( 0.542 0.000 1.774) 1.855 2.558 ( -3.898 0.000 0.868) 3.994 2.558 ( 3.898 0.000 0.868) 3.994 2.676 ( -1.614 0.000 -0.301) 1.642 2.676 ( 1.614 0.000 -0.301) 1.642 2.949 ( -0.089 0.000 -4.605) 4.606 2.949 ( 0.089 0.000 -4.605) 4.606 2.984 ( -0.934 0.000 -7.196) 7.256 2.984 ( 0.934 0.000 -7.196) 7.256 3.251 ( -2.406 0.000 -2.483) 3.458 3.251 ( 2.406 0.000 -2.483) 3.458 3.353 ( -2.569 0.000 -1.196) 2.833 3.353 ( 2.569 0.000 -1.196) 2.833 3.386 ( -5.167 0.000 1.117) 5.286 3.386 ( 5.167 0.000 1.117) 5.286 3.517 ( -0.495 0.000 -7.528) 7.544 3.517 ( 0.495 0.000 -7.528) 7.544 3.684 ( -3.095 0.000 -0.920) 3.228 3.684 ( 3.095 0.000 -0.920) 3.228 3.923 ( -1.764 0.000 -0.158) 1.771 3.923 ( 1.764 0.000 -0.158) 1.771 4.063 ( -1.765 0.000 3.363) 3.798 4.063 ( 1.765 0.000 3.363) 3.798 4.266 ( -0.976 0.000 0.373) 1.045 4.266 ( 0.976 0.000 0.373) 1.045 4.285 ( -1.658 0.000 3.589) 3.954 4.285 ( 1.658 0.000 3.589) 3.954 4.457 ( -0.674 0.000 2.149) 2.252 4.457 ( 0.674 0.000 2.149) 2.252 4.544 ( -4.432 0.000 -4.322) 6.190 4.544 ( 4.432 0.000 -4.322) 6.190 4.852 ( -1.301 0.000 -1.964) 2.355 4.852 ( 1.301 0.000 -1.964) 2.355 4.964 ( -1.363 0.000 -2.261) 2.640 4.964 ( 1.363 0.000 -2.261) 2.640 4.966 ( -0.832 0.000 2.257) 2.406 4.966 ( 0.832 0.000 2.257) 2.406 5.123 ( -0.644 0.000 0.268) 0.697 5.123 ( 0.644 0.000 0.268) 0.697 5.159 ( -0.677 0.000 1.734) 1.862 5.159 ( 0.677 0.000 1.734) 1.862 5.310 ( -2.423 0.000 0.651) 2.509 5.310 ( 2.423 0.000 0.651) 2.509 5.794 ( -2.226 0.000 2.141) 3.089 5.794 ( 2.226 0.000 2.141) 3.089 5.911 ( -4.229 0.000 4.601) 6.249 5.911 ( 4.229 0.000 4.601) 6.249 6.034 ( -3.882 0.000 -1.606) 4.201 6.034 ( 3.882 0.000 -1.606) 4.201 6.690 ( -0.599 0.000 0.749) 0.959 6.690 ( 0.599 0.000 0.749) 0.959 6.763 ( -0.452 0.000 -0.045) 0.454 6.763 ( 0.452 0.000 -0.045) 0.454 7.311 ( -2.901 0.000 0.051) 2.902 7.311 ( 2.901 0.000 0.051) 2.902 7.579 ( -4.916 0.000 0.516) 4.943 7.579 ( 4.916 0.000 0.516) 4.943 8.192 ( -1.883 0.000 3.814) 4.253 8.192 ( 1.883 0.000 3.814) 4.253 8.200 ( -6.302 0.000 -1.250) 6.425 8.200 ( 6.302 0.000 -1.250) 6.425 8.363 ( -2.193 0.000 -4.117) 4.664 8.363 ( 2.193 0.000 -4.117) 4.664 9.158 ( -1.401 0.000 0.870) 1.649 9.158 ( 1.401 0.000 0.870) 1.649 9.340 ( -4.108 0.000 0.726) 4.172 9.340 ( 4.108 0.000 0.726) 4.172 9.527 ( -2.181 0.000 -1.001) 2.400 9.527 ( 2.181 0.000 -1.001) 2.400 10.018 ( -1.830 0.000 1.755) 2.536 10.018 ( 1.830 0.000 1.755) 2.536 10.190 ( -3.994 0.000 0.459) 4.020 10.190 ( 3.994 0.000 0.459) 4.020 10.718 ( -4.350 0.000 2.013) 4.793 10.718 ( 4.350 0.000 2.013) 4.793 11.316 ( -11.773 0.000 0.725) 11.796 11.316 ( 11.773 0.000 0.725) 11.796 12.580 ( -0.648 0.000 0.620) 0.897 12.580 ( 0.648 0.000 0.620) 0.897 12.959 ( -1.790 0.000 -1.163) 2.135 12.959 ( 1.790 0.000 -1.163) 2.135 ======================= Grid point 110 (40/60) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.876 ( 0.000 6.472 10.932) 12.704 1.063 ( 0.000 9.990 10.788) 14.703 1.253 ( 0.000 -0.496 -8.719) 8.733 1.279 ( 0.000 0.315 -1.319) 1.356 1.444 ( 0.000 10.489 -4.221) 11.307 1.450 ( 0.000 3.200 -0.753) 3.287 1.458 ( 0.000 12.429 -1.430) 12.511 1.522 ( 0.000 6.518 -2.581) 7.011 1.620 ( 0.000 11.557 -1.136) 11.612 1.676 ( 0.000 1.860 2.810) 3.370 1.821 ( 0.000 -4.095 1.509) 4.364 1.876 ( 0.000 13.640 -8.574) 16.111 2.296 ( 0.000 -6.959 3.092) 7.615 2.308 ( 0.000 -6.186 1.768) 6.434 2.376 ( 0.000 0.829 1.520) 1.731 2.611 ( 0.000 3.433 -0.002) 3.433 2.656 ( 0.000 5.376 3.151) 6.231 2.713 ( 0.000 3.192 -5.494) 6.354 2.806 ( 0.000 2.184 -5.679) 6.085 2.832 ( 0.000 3.531 0.436) 3.558 2.953 ( 0.000 -0.242 -3.618) 3.626 2.990 ( 0.000 -0.737 -6.968) 7.007 2.998 ( 0.000 -2.806 -7.075) 7.611 3.026 ( 0.000 -0.581 1.463) 1.574 3.114 ( 0.000 -0.506 1.822) 1.891 3.226 ( 0.000 -0.156 0.420) 0.448 3.346 ( 0.000 -3.138 -5.420) 6.263 3.374 ( 0.000 0.008 2.690) 2.690 3.397 ( 0.000 -1.561 -6.093) 6.290 3.432 ( 0.000 -1.835 -4.944) 5.273 3.459 ( 0.000 2.067 -2.803) 3.483 3.581 ( 0.000 0.554 -5.966) 5.992 3.665 ( 0.000 2.595 1.390) 2.944 3.747 ( 0.000 1.288 -2.391) 2.716 3.851 ( 0.000 -0.004 0.540) 0.540 3.984 ( 0.000 -2.213 -5.969) 6.365 4.038 ( 0.000 2.677 2.524) 3.679 4.044 ( 0.000 -4.054 7.196) 8.260 4.132 ( 0.000 0.780 3.835) 3.913 4.205 ( 0.000 -5.433 2.930) 6.173 4.206 ( 0.000 -3.488 0.148) 3.492 4.303 ( 0.000 -2.202 -0.422) 2.242 4.342 ( 0.000 1.712 0.321) 1.742 4.472 ( 0.000 -2.130 -4.671) 5.134 4.554 ( 0.000 6.212 3.014) 6.904 4.599 ( 0.000 5.864 1.795) 6.132 4.844 ( 0.000 -2.260 -2.874) 3.656 4.890 ( 0.000 -3.601 -4.107) 5.462 4.925 ( 0.000 -2.420 3.203) 4.014 4.963 ( 0.000 -3.748 0.923) 3.860 4.974 ( 0.000 0.958 0.883) 1.303 5.025 ( 0.000 -2.229 -1.786) 2.857 5.069 ( 0.000 1.098 2.494) 2.725 5.074 ( 0.000 -0.859 1.806) 1.999 5.228 ( 0.000 3.520 1.439) 3.803 5.235 ( 0.000 -0.733 3.280) 3.361 5.324 ( 0.000 -2.838 0.115) 2.840 5.356 ( 0.000 11.547 -4.973) 12.573 5.752 ( 0.000 -6.286 3.148) 7.031 5.753 ( 0.000 -3.842 2.149) 4.402 5.835 ( 0.000 4.549 5.296) 6.981 5.967 ( 0.000 6.113 -1.806) 6.375 6.159 ( 0.000 6.349 1.280) 6.476 6.176 ( 0.000 3.443 0.852) 3.547 6.594 ( 0.000 7.782 1.432) 7.913 6.613 ( 0.000 6.638 -0.106) 6.639 7.121 ( 0.000 23.242 -0.619) 23.250 7.123 ( 0.000 20.756 -0.547) 20.764 7.259 ( 0.000 2.485 -2.818) 3.757 7.276 ( 0.000 5.410 -2.398) 5.918 7.497 ( 0.000 0.781 3.721) 3.802 7.673 ( 0.000 -1.324 -4.169) 4.374 8.017 ( 0.000 -6.451 6.361) 9.060 8.132 ( 0.000 -1.169 2.262) 2.546 8.171 ( 0.000 -5.739 2.733) 6.357 8.267 ( 0.000 0.463 -2.840) 2.877 8.395 ( 0.000 -1.094 -6.123) 6.220 8.430 ( 0.000 2.531 -5.144) 5.733 9.148 ( 0.000 2.682 3.548) 4.448 9.218 ( 0.000 1.766 1.938) 2.622 9.417 ( 0.000 -5.462 1.385) 5.635 9.430 ( 0.000 -6.548 0.374) 6.559 9.527 ( 0.000 3.815 -1.534) 4.112 9.612 ( 0.000 1.581 -1.297) 2.045 9.847 ( 0.000 -0.748 5.553) 5.603 9.931 ( 0.000 -5.177 0.585) 5.210 10.097 ( 0.000 -1.804 2.049) 2.731 10.248 ( 0.000 1.766 -4.327) 4.674 10.569 ( 0.000 0.713 1.816) 1.951 10.647 ( 0.000 0.566 -1.982) 2.061 11.156 ( 0.000 -3.759 13.353) 13.872 11.640 ( 0.000 -10.013 -10.267) 14.341 12.590 ( 0.000 0.484 1.428) 1.507 12.594 ( 0.000 1.555 -0.006) 1.555 12.886 ( 0.000 0.562 2.707) 2.764 13.000 ( 0.000 0.407 -3.127) 3.153 ======================= Grid point 111 (41/60) ======================= q-point: ( 0.25 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 5.708 6.039 10.337) 13.263 1.102 ( 2.899 9.038 8.935) 13.035 1.205 ( -1.902 3.489 1.893) 4.401 1.370 ( 2.785 4.631 -6.448) 8.413 1.377 ( -2.917 8.694 -1.212) 9.250 1.420 ( -0.837 8.140 -2.675) 8.609 1.454 ( -0.397 3.260 -4.200) 5.332 1.535 ( -1.058 9.270 -7.171) 11.767 1.689 ( 3.882 1.161 2.623) 4.827 1.701 ( 4.179 7.668 1.089) 8.800 1.776 ( -2.567 -3.359 1.541) 4.500 1.902 ( 0.532 11.768 -7.378) 13.900 2.296 ( 0.172 -2.970 1.877) 3.518 2.326 ( 2.027 -4.891 2.725) 5.954 2.446 ( 4.800 -1.026 1.027) 5.015 2.568 ( -4.140 0.806 -0.839) 4.301 2.614 ( -3.072 5.044 1.964) 6.224 2.676 ( -3.847 2.459 -1.589) 4.835 2.733 ( -2.731 3.192 0.227) 4.207 2.800 ( -3.086 4.726 -3.604) 6.697 2.947 ( -0.231 -0.775 -3.738) 3.825 2.974 ( -1.719 -0.888 -5.249) 5.594 2.978 ( -1.138 -2.497 -7.812) 8.280 2.995 ( -1.365 0.864 -4.449) 4.734 3.180 ( 4.564 -2.566 1.997) 5.604 3.226 ( 0.548 -1.025 0.144) 1.171 3.304 ( -2.260 -0.634 -0.937) 2.527 3.371 ( -2.121 -1.647 -1.582) 3.117 3.423 ( -0.192 1.009 -3.694) 3.835 3.442 ( 2.469 -0.267 -4.078) 4.775 3.490 ( 1.661 0.634 -5.398) 5.683 3.540 ( -2.408 1.793 -4.366) 5.299 3.669 ( 1.167 3.114 1.634) 3.705 3.753 ( -0.241 1.974 -2.777) 3.416 3.855 ( 0.810 -2.575 0.694) 2.787 3.931 ( -2.463 -3.309 -0.123) 4.127 4.048 ( 1.074 1.805 3.488) 4.072 4.105 ( 0.366 0.150 0.998) 1.073 4.164 ( 2.907 -3.145 3.870) 5.772 4.185 ( -0.525 -6.090 2.115) 6.469 4.230 ( 2.067 -1.596 2.087) 3.343 4.341 ( 0.413 -0.388 0.759) 0.947 4.353 ( 3.346 -0.915 -1.760) 3.889 4.497 ( 0.461 -0.367 -3.503) 3.552 4.549 ( 0.502 2.946 0.617) 3.051 4.574 ( -1.604 4.194 -0.174) 4.494 4.831 ( -0.318 -3.534 -2.460) 4.318 4.877 ( -1.486 -3.089 -2.333) 4.147 4.899 ( -0.877 -4.040 1.211) 4.308 4.940 ( -1.975 -4.049 1.513) 4.752 5.006 ( -0.172 -1.726 0.586) 1.831 5.023 ( 0.868 2.176 -0.354) 2.369 5.096 ( 3.089 1.931 2.117) 4.213 5.110 ( 2.906 1.597 1.587) 3.676 5.203 ( -1.737 0.587 1.256) 2.223 5.258 ( 1.576 1.182 3.774) 4.257 5.310 ( -1.771 5.008 -2.650) 5.937 5.355 ( -0.157 4.195 -1.922) 4.617 5.714 ( -1.334 -5.272 4.157) 6.845 5.777 ( 0.249 -5.234 0.877) 5.313 5.869 ( 2.537 4.680 5.031) 7.324 5.983 ( 2.225 7.651 -1.241) 8.064 6.106 ( -4.328 4.992 1.186) 6.713 6.147 ( -2.591 4.415 -0.354) 5.131 6.600 ( 0.466 7.745 1.138) 7.842 6.613 ( -0.039 7.099 0.049) 7.100 7.120 ( 0.171 22.081 -0.255) 22.084 7.127 ( 0.152 22.450 -0.386) 22.454 7.268 ( 2.053 3.746 -0.176) 4.276 7.330 ( 2.236 2.005 -3.410) 4.545 7.509 ( 1.665 1.223 3.370) 3.953 7.657 ( -1.839 -0.668 -2.432) 3.122 8.006 ( -0.002 -7.312 3.999) 8.334 8.135 ( -3.006 -7.403 0.694) 8.020 8.175 ( 3.103 0.622 3.173) 4.481 8.290 ( 1.246 0.055 -3.592) 3.803 8.357 ( -2.284 -0.210 -3.184) 3.924 8.417 ( -1.517 1.643 -4.399) 4.935 9.183 ( 2.770 2.919 1.489) 4.291 9.202 ( -0.865 3.439 1.942) 4.043 9.378 ( -4.518 -3.448 2.220) 6.101 9.418 ( -0.482 -2.459 -0.899) 2.662 9.439 ( -2.767 -2.597 2.430) 4.506 9.586 ( -3.753 1.583 -3.630) 5.456 9.918 ( 3.711 -3.258 2.794) 5.674 9.967 ( 3.029 -3.467 0.347) 4.616 10.111 ( 1.969 -1.066 3.947) 4.537 10.253 ( -0.917 0.542 -2.964) 3.150 10.606 ( 3.887 0.499 2.338) 4.564 10.709 ( 3.826 -0.219 -2.156) 4.397 11.142 ( 0.224 -3.994 10.692) 11.416 11.511 ( -10.586 -8.705 -6.757) 15.281 12.583 ( 0.084 1.349 1.292) 1.870 12.600 ( -0.030 1.243 -0.014) 1.243 12.917 ( 2.333 0.408 1.251) 2.679 12.993 ( -0.698 0.413 -2.424) 2.556 ======================= Grid point 112 (42/60) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -5.255 4.094 8.546) 10.836 1.079 ( 5.255 4.094 8.546) 10.836 1.247 ( -5.604 13.422 4.209) 15.142 1.247 ( 5.604 13.422 4.209) 15.142 1.430 ( -1.524 2.686 -5.653) 6.442 1.430 ( 1.524 2.686 -5.653) 6.442 1.480 ( -3.817 6.876 -7.637) 10.962 1.480 ( 3.817 6.876 -7.637) 10.962 1.726 ( -1.553 -3.023 3.677) 5.008 1.726 ( 1.553 -3.023 3.677) 5.008 1.851 ( -5.490 9.902 -3.966) 11.996 1.851 ( 5.490 9.902 -3.966) 11.996 2.329 ( -2.104 -2.233 0.924) 3.204 2.329 ( 2.104 -2.233 0.924) 3.204 2.518 ( -0.566 -0.179 0.915) 1.090 2.518 ( 0.566 -0.179 0.915) 1.090 2.578 ( -3.683 1.720 0.105) 4.066 2.578 ( 3.683 1.720 0.105) 4.066 2.734 ( -2.274 4.944 -0.444) 5.460 2.734 ( 2.274 4.944 -0.444) 5.460 2.949 ( -0.465 -0.346 -3.957) 3.999 2.949 ( 0.465 -0.346 -3.957) 3.999 2.972 ( -0.820 -0.862 -7.476) 7.571 2.972 ( 0.820 -0.862 -7.476) 7.571 3.242 ( -1.593 -0.898 -2.828) 3.368 3.242 ( 1.593 -0.898 -2.828) 3.368 3.300 ( -3.543 -2.345 1.550) 4.523 3.300 ( 3.543 -2.345 1.550) 4.523 3.442 ( -1.906 0.895 -2.657) 3.390 3.442 ( 1.906 0.895 -2.657) 3.390 3.512 ( -0.460 2.005 -4.775) 5.199 3.512 ( 0.460 2.005 -4.775) 5.199 3.720 ( -2.601 2.616 -0.905) 3.798 3.720 ( 2.601 2.616 -0.905) 3.798 3.885 ( -1.776 -3.481 0.575) 3.950 3.885 ( 1.776 -3.481 0.575) 3.950 4.081 ( -1.736 1.419 3.307) 3.995 4.081 ( 1.736 1.419 3.307) 3.995 4.183 ( -0.123 -6.057 1.817) 6.325 4.183 ( 0.123 -6.057 1.817) 6.325 4.305 ( -3.187 0.426 1.908) 3.738 4.305 ( 3.187 0.426 1.908) 3.738 4.451 ( -4.097 -0.575 -2.346) 4.756 4.451 ( 4.097 -0.575 -2.346) 4.756 4.561 ( -0.298 1.092 -1.332) 1.748 4.561 ( 0.298 1.092 -1.332) 1.748 4.846 ( -1.382 -3.480 -2.946) 4.764 4.846 ( 1.382 -3.480 -2.946) 4.764 4.896 ( -1.212 -4.417 1.954) 4.980 4.896 ( 1.212 -4.417 1.954) 4.980 5.017 ( -0.818 -0.511 0.167) 0.979 5.017 ( 0.818 -0.511 0.167) 0.979 5.151 ( -1.956 2.184 2.266) 3.706 5.151 ( 1.956 2.184 2.266) 3.706 5.217 ( -4.510 5.241 0.463) 6.930 5.217 ( 4.510 5.241 0.463) 6.930 5.326 ( -2.392 2.078 -0.193) 3.175 5.326 ( 2.392 2.078 -0.193) 3.175 5.732 ( -2.662 -5.383 2.712) 6.589 5.732 ( 2.662 -5.383 2.712) 6.589 5.970 ( -5.479 6.244 3.709) 9.097 5.970 ( 5.479 6.244 3.709) 9.097 6.075 ( -3.421 5.084 -2.387) 6.576 6.075 ( 3.421 5.084 -2.387) 6.576 6.609 ( -0.320 7.583 0.550) 7.610 6.609 ( 0.320 7.583 0.550) 7.610 7.126 ( -0.271 22.728 -0.055) 22.730 7.126 ( 0.271 22.728 -0.055) 22.730 7.326 ( -2.274 1.667 -0.286) 2.834 7.326 ( 2.274 1.667 -0.286) 2.834 7.583 ( -4.408 0.866 0.862) 4.574 7.583 ( 4.408 0.866 0.862) 4.574 8.050 ( -3.823 -8.259 0.536) 9.117 8.050 ( 3.823 -8.259 0.536) 9.117 8.253 ( -3.622 0.975 -0.145) 3.754 8.253 ( 3.622 0.975 -0.145) 3.754 8.370 ( -2.435 0.334 -2.883) 3.788 8.370 ( 2.435 0.334 -2.883) 3.788 9.208 ( -1.179 4.032 1.168) 4.360 9.208 ( 1.179 4.032 1.168) 4.360 9.347 ( -3.033 -0.740 2.485) 3.990 9.347 ( 3.033 -0.740 2.485) 3.990 9.486 ( -4.291 -3.339 -2.552) 6.007 9.486 ( 4.291 -3.339 -2.552) 6.007 9.982 ( -1.818 -3.297 1.583) 4.085 9.982 ( 1.818 -3.297 1.583) 4.085 10.191 ( -4.258 -0.181 0.953) 4.367 10.191 ( 4.258 -0.181 0.953) 4.367 10.710 ( -4.017 -0.536 1.694) 4.392 10.710 ( 4.017 -0.536 1.694) 4.392 11.257 ( -10.442 -5.885 0.824) 12.015 11.257 ( 10.442 -5.885 0.824) 12.015 12.593 ( -0.573 1.507 0.514) 1.692 12.593 ( 0.573 1.507 0.514) 1.692 12.966 ( -1.817 0.393 -0.811) 2.028 12.966 ( 1.817 0.393 -0.811) 2.028 ======================= Grid point 115 (43/60) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 0.000 11.391 7.986) 13.912 1.209 ( 0.000 5.306 9.779) 11.125 1.283 ( 0.000 3.440 -4.067) 5.327 1.296 ( 0.000 1.812 0.009) 1.812 1.479 ( 0.000 -0.711 -1.394) 1.564 1.636 ( 0.000 -4.371 0.147) 4.374 1.645 ( 0.000 9.096 -4.884) 10.325 1.652 ( 0.000 7.298 -1.643) 7.481 1.755 ( 0.000 12.440 -4.409) 13.198 1.824 ( 0.000 10.627 -0.870) 10.662 1.902 ( 0.000 6.580 4.320) 7.871 2.050 ( 0.000 -3.661 -4.986) 6.186 2.213 ( 0.000 0.372 1.273) 1.326 2.251 ( 0.000 9.520 -2.297) 9.793 2.442 ( 0.000 5.962 1.580) 6.167 2.654 ( 0.000 1.695 -4.329) 4.649 2.749 ( 0.000 3.774 0.465) 3.802 2.807 ( 0.000 4.512 -2.522) 5.169 2.810 ( 0.000 -1.022 -2.270) 2.490 2.882 ( 0.000 1.100 -5.272) 5.385 2.900 ( 0.000 -4.797 -5.320) 7.163 2.945 ( 0.000 -3.540 0.099) 3.541 2.975 ( 0.000 0.969 1.331) 1.646 2.993 ( 0.000 -2.611 -3.540) 4.399 3.157 ( 0.000 3.053 -2.533) 3.967 3.248 ( 0.000 3.134 0.274) 3.146 3.261 ( 0.000 -5.855 -5.159) 7.804 3.354 ( 0.000 -0.940 0.802) 1.236 3.368 ( 0.000 -0.717 -4.729) 4.783 3.397 ( 0.000 -1.580 -2.252) 2.751 3.540 ( 0.000 5.071 1.158) 5.202 3.582 ( 0.000 -0.833 -2.344) 2.487 3.709 ( 0.000 1.824 1.533) 2.383 3.757 ( 0.000 -1.210 -0.504) 1.311 3.855 ( 0.000 0.884 -2.009) 2.195 3.931 ( 0.000 -2.929 -3.773) 4.776 3.968 ( 0.000 -2.990 4.308) 5.244 4.082 ( 0.000 -3.929 8.240) 9.129 4.090 ( 0.000 -0.033 2.744) 2.744 4.146 ( 0.000 0.352 -4.516) 4.530 4.172 ( 0.000 1.380 1.231) 1.849 4.261 ( 0.000 -2.892 2.055) 3.548 4.366 ( 0.000 1.280 -1.300) 1.824 4.442 ( 0.000 -0.116 -7.111) 7.112 4.651 ( 0.000 2.643 1.209) 2.907 4.655 ( 0.000 -1.511 2.172) 2.646 4.712 ( 0.000 -6.449 -2.121) 6.788 4.775 ( 0.000 -6.387 -3.463) 7.265 4.878 ( 0.000 -2.324 2.696) 3.559 4.908 ( 0.000 -2.709 2.212) 3.497 4.964 ( 0.000 -5.530 -2.057) 5.901 4.973 ( 0.000 -1.247 -0.632) 1.398 5.075 ( 0.000 1.100 1.615) 1.954 5.099 ( 0.000 3.564 0.039) 3.564 5.201 ( 0.000 -2.677 2.032) 3.361 5.226 ( 0.000 -5.865 2.377) 6.328 5.329 ( 0.000 6.402 2.861) 7.012 5.420 ( 0.000 -3.592 -0.193) 3.597 5.624 ( 0.000 -8.976 0.631) 8.998 5.637 ( 0.000 -4.953 0.185) 4.956 5.922 ( 0.000 3.076 6.255) 6.970 5.991 ( 0.000 -0.952 1.957) 2.176 6.259 ( 0.000 3.541 0.085) 3.542 6.278 ( 0.000 2.335 -0.158) 2.341 7.062 ( 0.000 35.720 0.307) 35.722 7.071 ( 0.000 29.827 -2.700) 29.949 7.285 ( 0.000 2.639 -1.240) 2.916 7.339 ( 0.000 8.421 -2.307) 8.731 7.517 ( 0.000 6.180 1.718) 6.415 7.572 ( 0.000 13.806 1.084) 13.849 7.584 ( 0.000 19.397 -0.346) 19.400 7.648 ( 0.000 1.230 -2.415) 2.711 7.892 ( 0.000 -5.641 4.245) 7.060 8.095 ( 0.000 3.399 -4.485) 5.628 8.174 ( 0.000 3.503 5.680) 6.673 8.274 ( 0.000 0.567 -2.230) 2.301 8.341 ( 0.000 -4.721 -4.809) 6.739 8.485 ( 0.000 2.562 -7.124) 7.571 9.142 ( 0.000 -8.067 2.427) 8.424 9.169 ( 0.000 -10.744 0.721) 10.768 9.294 ( 0.000 -3.145 1.685) 3.567 9.332 ( 0.000 -0.000 3.458) 3.458 9.565 ( 0.000 -1.536 -0.332) 1.572 9.626 ( 0.000 -1.463 2.263) 2.695 9.779 ( 0.000 -4.683 1.078) 4.805 9.822 ( 0.000 -4.344 -0.406) 4.363 10.117 ( 0.000 3.560 2.803) 4.531 10.267 ( 0.000 -0.209 -3.854) 3.860 10.598 ( 0.000 2.651 2.771) 3.835 10.667 ( 0.000 1.477 -1.604) 2.181 11.070 ( 0.000 -4.551 8.890) 9.987 11.395 ( 0.000 -14.330 -5.808) 15.462 12.626 ( 0.000 3.543 1.747) 3.950 12.653 ( 0.000 4.913 -0.676) 4.959 12.884 ( 0.000 -1.255 3.053) 3.301 12.991 ( 0.000 -1.887 -2.563) 3.182 ======================= Grid point 116 (44/60) ======================= q-point: ( 0.25 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 4.725 10.945 7.186) 13.920 1.221 ( 0.580 5.181 6.684) 8.477 1.293 ( 2.660 3.930 2.564) 5.394 1.369 ( 3.716 -0.102 -2.938) 4.738 1.468 ( -0.542 0.935 -0.328) 1.129 1.603 ( -2.101 5.626 -3.125) 6.769 1.646 ( 0.320 -2.248 1.728) 2.853 1.677 ( -1.582 12.662 -1.394) 12.836 1.745 ( 1.666 10.424 -6.440) 12.366 1.794 ( -2.217 10.533 -2.156) 10.977 1.910 ( 1.735 6.147 3.745) 7.404 2.048 ( -0.649 -2.162 -5.018) 5.502 2.237 ( 2.405 -0.211 1.686) 2.944 2.316 ( 3.599 7.951 -1.101) 8.797 2.481 ( 3.420 4.985 0.368) 6.056 2.591 ( -5.269 1.562 -2.766) 6.152 2.691 ( -4.211 2.194 -1.210) 4.900 2.706 ( -6.684 0.722 -0.593) 6.749 2.793 ( -1.315 2.086 -2.145) 3.268 2.858 ( -2.289 -1.506 -2.888) 3.981 2.918 ( 2.095 0.537 -2.583) 3.369 2.926 ( -0.325 -2.257 -3.846) 4.471 2.941 ( -1.452 -2.694 -6.865) 7.516 3.034 ( -1.277 1.798 -4.441) 4.958 3.144 ( 2.400 -1.354 1.953) 3.378 3.232 ( 0.460 2.262 -3.063) 3.835 3.289 ( -0.388 -1.209 0.332) 1.313 3.332 ( -2.319 -1.629 -1.398) 3.160 3.403 ( 0.838 -0.687 -4.511) 4.640 3.419 ( 1.475 -1.430 -3.197) 3.800 3.568 ( 2.365 5.105 0.343) 5.637 3.579 ( 0.319 0.881 -0.609) 1.118 3.716 ( 0.669 1.257 1.360) 1.969 3.772 ( 1.445 -0.869 -0.500) 1.759 3.819 ( -2.390 0.020 -0.613) 2.468 3.867 ( -2.654 -1.989 0.819) 3.416 4.031 ( 2.142 -5.548 1.070) 6.043 4.066 ( 0.122 -1.697 5.225) 5.495 4.094 ( -0.353 -2.566 1.385) 2.937 4.146 ( -1.860 -0.096 1.809) 2.596 4.220 ( 4.596 1.571 0.904) 4.940 4.287 ( 3.131 -2.496 -1.603) 4.313 4.389 ( 0.885 2.477 -1.405) 2.982 4.466 ( 1.189 -1.528 -5.584) 5.910 4.614 ( -2.279 2.700 0.078) 3.534 4.635 ( -2.666 2.677 -0.605) 3.826 4.680 ( -0.410 -9.522 -1.018) 9.586 4.759 ( -1.604 -6.417 -3.193) 7.344 4.848 ( -1.402 -2.478 2.258) 3.634 4.875 ( -2.006 -3.869 0.916) 4.453 4.956 ( -1.117 -4.792 -0.438) 4.940 4.968 ( -0.896 -5.086 -1.492) 5.376 5.140 ( 2.352 2.566 1.279) 3.708 5.156 ( 5.499 2.389 1.393) 6.155 5.179 ( -0.228 -2.095 3.914) 4.445 5.258 ( 1.794 -4.906 0.619) 5.260 5.328 ( 0.079 4.660 2.994) 5.540 5.398 ( -1.889 -1.834 -0.097) 2.634 5.606 ( -0.489 -6.232 2.384) 6.690 5.658 ( 0.180 -5.879 0.231) 5.887 5.949 ( 2.877 2.920 6.021) 7.284 6.046 ( 4.688 0.111 -0.170) 4.692 6.196 ( -4.871 3.307 2.037) 6.230 6.257 ( -2.484 2.791 -1.334) 3.967 7.066 ( 0.477 34.706 -0.267) 34.710 7.078 ( 0.298 31.722 -1.721) 31.770 7.307 ( 2.017 3.654 -0.141) 4.176 7.364 ( 1.673 5.311 -2.347) 6.043 7.486 ( -2.114 8.021 1.474) 8.425 7.527 ( -2.232 11.102 -0.366) 11.330 7.638 ( 2.223 16.467 1.550) 16.689 7.672 ( 1.884 5.487 0.039) 5.802 7.883 ( 0.171 -4.443 1.540) 4.706 8.064 ( -3.691 2.889 -4.715) 6.649 8.197 ( 2.516 2.687 3.694) 5.215 8.294 ( 1.311 0.480 -2.661) 3.005 8.322 ( -1.071 -3.473 -2.416) 4.364 8.447 ( -3.274 1.363 -5.602) 6.630 9.162 ( 2.001 -11.347 2.731) 11.842 9.231 ( 4.112 -11.024 -1.081) 11.816 9.266 ( -1.993 -0.950 2.857) 3.610 9.279 ( -2.139 0.691 2.562) 3.409 9.463 ( -5.981 -0.022 1.916) 6.280 9.583 ( -5.101 -3.725 -2.219) 6.694 9.848 ( 4.978 -2.165 1.727) 5.697 9.906 ( 4.852 -1.627 -0.981) 5.211 10.110 ( 0.440 1.020 4.454) 4.590 10.249 ( -2.198 -1.365 -2.347) 3.493 10.632 ( 3.178 2.513 2.663) 4.848 10.713 ( 2.917 0.843 -1.733) 3.496 11.044 ( -1.107 -5.626 7.464) 9.412 11.295 ( -8.165 -12.837 -3.730) 15.664 12.634 ( 0.667 4.130 1.284) 4.376 12.656 ( 0.044 4.782 -0.504) 4.808 12.912 ( 2.163 -1.459 1.833) 3.189 12.984 ( -0.654 -1.814 -1.891) 2.701 ======================= Grid point 117 (45/60) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -2.505 8.491 6.039) 10.716 1.206 ( 2.505 8.491 6.039) 10.716 1.370 ( -3.320 1.085 0.717) 3.566 1.370 ( 3.320 1.085 0.717) 3.566 1.517 ( -4.826 1.597 0.397) 5.098 1.517 ( 4.826 1.597 0.397) 5.098 1.658 ( -1.508 9.864 -0.549) 9.994 1.658 ( 1.508 9.864 -0.549) 9.994 1.762 ( -1.016 9.465 -3.919) 10.295 1.762 ( 1.016 9.465 -3.919) 10.295 1.995 ( -4.469 1.349 -1.787) 4.998 1.995 ( 4.469 1.349 -1.787) 4.998 2.309 ( -3.815 2.246 0.986) 4.536 2.309 ( 3.815 2.246 0.986) 4.536 2.549 ( -0.851 3.574 -0.624) 3.727 2.549 ( 0.851 3.574 -0.624) 3.727 2.604 ( -1.488 1.047 -2.818) 3.354 2.604 ( 1.488 1.047 -2.818) 3.354 2.800 ( -2.182 0.855 -1.724) 2.909 2.800 ( 2.182 0.855 -1.724) 2.909 2.923 ( -0.137 -2.471 -4.822) 5.420 2.923 ( 0.137 -2.471 -4.822) 5.420 2.980 ( -2.958 1.648 -4.967) 6.011 2.980 ( 2.958 1.648 -4.967) 6.011 3.222 ( -3.187 -0.609 -1.131) 3.436 3.222 ( 3.187 -0.609 -1.131) 3.436 3.279 ( -0.425 -0.061 0.652) 0.781 3.279 ( 0.425 -0.061 0.652) 0.781 3.418 ( -0.834 -1.309 -4.829) 5.073 3.418 ( 0.834 -1.309 -4.829) 5.073 3.595 ( -0.442 4.066 -0.055) 4.091 3.595 ( 0.442 4.066 -0.055) 4.091 3.756 ( -2.620 0.560 0.769) 2.787 3.756 ( 2.620 0.560 0.769) 2.787 3.819 ( -1.881 -2.071 0.880) 2.933 3.819 ( 1.881 -2.071 0.880) 2.933 4.065 ( -1.258 -5.490 1.252) 5.770 4.065 ( 1.258 -5.490 1.252) 5.770 4.100 ( -1.840 -0.142 3.949) 4.359 4.100 ( 1.840 -0.142 3.949) 4.359 4.313 ( -2.964 0.749 -0.266) 3.069 4.313 ( 2.964 0.749 -0.266) 3.069 4.430 ( -3.944 -1.075 -3.971) 5.699 4.430 ( 3.944 -1.075 -3.971) 5.699 4.593 ( -0.667 2.410 -0.840) 2.638 4.593 ( 0.667 2.410 -0.840) 2.638 4.711 ( -2.463 -7.239 -2.716) 8.115 4.711 ( 2.463 -7.239 -2.716) 8.115 4.839 ( -0.770 -3.252 1.247) 3.567 4.839 ( 0.770 -3.252 1.247) 3.567 4.947 ( -0.529 -6.216 -0.699) 6.277 4.947 ( 0.529 -6.216 -0.699) 6.277 5.167 ( -0.625 0.179 2.734) 2.811 5.167 ( 0.625 0.179 2.734) 2.811 5.267 ( -2.714 -0.576 0.901) 2.917 5.267 ( 2.714 -0.576 0.901) 2.917 5.346 ( -2.339 1.240 1.722) 3.158 5.346 ( 2.339 1.240 1.722) 3.158 5.625 ( -2.160 -5.283 2.208) 6.120 5.625 ( 2.160 -5.283 2.208) 6.120 6.056 ( -6.006 3.050 3.293) 7.498 6.056 ( 6.006 3.050 3.293) 7.498 6.172 ( -4.803 2.065 -0.907) 5.306 6.172 ( 4.803 2.065 -0.907) 5.306 7.077 ( -0.366 33.703 -0.825) 33.715 7.077 ( 0.366 33.703 -0.825) 33.715 7.362 ( -2.299 3.091 -0.113) 3.854 7.362 ( 2.299 3.091 -0.113) 3.854 7.477 ( -1.787 9.244 -0.213) 9.417 7.477 ( 1.787 9.244 -0.213) 9.417 7.679 ( -1.406 11.106 3.123) 11.622 7.679 ( 1.406 11.106 3.123) 11.622 7.949 ( -5.544 0.387 -3.691) 6.672 7.949 ( 5.544 0.387 -3.691) 6.672 8.263 ( -2.912 0.615 0.168) 2.981 8.263 ( 2.912 0.615 0.168) 2.981 8.365 ( -3.648 -0.671 -3.168) 4.878 8.365 ( 3.648 -0.671 -3.168) 4.878 9.203 ( -1.675 -11.410 3.013) 11.919 9.203 ( 1.675 -11.410 3.013) 11.919 9.292 ( -2.627 1.338 1.399) 3.263 9.292 ( 2.627 1.338 1.399) 3.263 9.439 ( -6.161 -2.795 -2.158) 7.101 9.439 ( 6.161 -2.795 -2.158) 7.101 9.937 ( -2.211 0.136 0.933) 2.404 9.937 ( 2.211 0.136 0.933) 2.404 10.170 ( -4.376 -2.262 1.517) 5.154 10.170 ( 4.376 -2.262 1.517) 5.154 10.715 ( -3.163 1.463 1.369) 3.744 10.715 ( 3.163 1.463 1.369) 3.744 11.106 ( -7.289 -9.370 1.143) 11.926 11.106 ( 7.289 -9.370 1.143) 11.926 12.650 ( -0.619 4.661 0.250) 4.708 12.650 ( 0.619 4.661 0.250) 4.708 12.958 ( -1.788 -1.665 -0.242) 2.455 12.958 ( 1.788 -1.665 -0.242) 2.455 ======================= Grid point 120 (46/60) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( 0.000 6.186 4.718) 7.780 1.289 ( 0.000 2.141 3.130) 3.793 1.336 ( 0.000 1.878 2.414) 3.059 1.360 ( 0.000 3.537 -0.519) 3.575 1.505 ( 0.000 3.680 -0.165) 3.683 1.521 ( 0.000 -2.941 2.007) 3.561 1.738 ( 0.000 0.227 1.174) 1.196 1.780 ( 0.000 1.554 -1.789) 2.370 1.826 ( 0.000 -5.095 3.971) 6.460 1.857 ( 0.000 -4.379 1.468) 4.619 1.992 ( 0.000 8.211 -7.923) 11.410 2.041 ( 0.000 3.227 -8.875) 9.443 2.362 ( 0.000 8.989 -0.159) 8.990 2.421 ( 0.000 3.865 -5.034) 6.346 2.583 ( 0.000 7.242 2.436) 7.641 2.672 ( 0.000 -1.116 0.192) 1.133 2.780 ( 0.000 0.017 -2.193) 2.193 2.807 ( 0.000 -3.581 -5.183) 6.300 2.826 ( 0.000 2.266 -3.214) 3.932 2.846 ( 0.000 1.229 -6.033) 6.157 2.869 ( 0.000 -2.357 -6.045) 6.489 2.908 ( 0.000 -2.270 1.761) 2.873 2.920 ( 0.000 0.130 -7.353) 7.355 3.008 ( 0.000 -1.259 0.077) 1.262 3.157 ( 0.000 -1.997 -0.014) 1.998 3.186 ( 0.000 -1.113 0.380) 1.176 3.294 ( 0.000 1.857 0.270) 1.877 3.342 ( 0.000 -2.521 -1.393) 2.880 3.396 ( 0.000 4.391 0.054) 4.391 3.414 ( 0.000 2.907 1.728) 3.381 3.549 ( 0.000 -1.780 -4.560) 4.896 3.579 ( 0.000 -2.732 -2.314) 3.580 3.722 ( 0.000 0.077 2.264) 2.265 3.730 ( 0.000 0.273 1.134) 1.166 3.874 ( 0.000 0.183 -0.803) 0.824 3.887 ( 0.000 -1.545 -0.275) 1.569 3.962 ( 0.000 2.482 1.655) 2.984 4.028 ( 0.000 -3.937 0.574) 3.979 4.077 ( 0.000 3.788 5.127) 6.375 4.178 ( 0.000 -4.601 0.135) 4.603 4.209 ( 0.000 2.103 1.611) 2.649 4.215 ( 0.000 1.976 0.980) 2.205 4.398 ( 0.000 2.035 -0.805) 2.188 4.456 ( 0.000 -2.162 -2.949) 3.657 4.546 ( 0.000 -0.006 -2.937) 2.937 4.626 ( 0.000 -4.129 -3.953) 5.716 4.698 ( 0.000 -2.051 -2.733) 3.417 4.699 ( 0.000 -0.430 -1.909) 1.956 4.841 ( 0.000 -1.043 1.861) 2.133 4.855 ( 0.000 -3.808 0.111) 3.810 4.876 ( 0.000 0.294 1.567) 1.594 4.920 ( 0.000 -3.384 -0.503) 3.422 5.122 ( 0.000 1.681 2.812) 3.276 5.143 ( 0.000 -1.914 2.090) 2.834 5.164 ( 0.000 1.750 2.560) 3.101 5.218 ( 0.000 5.973 -2.507) 6.477 5.298 ( 0.000 -5.710 3.975) 6.957 5.404 ( 0.000 -5.800 -2.451) 6.296 5.480 ( 0.000 1.480 3.014) 3.358 5.560 ( 0.000 -3.937 -0.710) 4.001 5.959 ( 0.000 1.129 6.700) 6.794 5.974 ( 0.000 -0.699 5.535) 5.579 6.298 ( 0.000 0.533 -0.976) 1.112 6.299 ( 0.000 0.767 -1.371) 1.571 7.319 ( 0.000 2.802 -0.650) 2.876 7.325 ( 0.000 1.526 -0.721) 1.688 7.512 ( 0.000 4.078 0.740) 4.144 7.542 ( 0.000 3.060 -1.106) 3.254 7.688 ( 0.000 9.097 2.258) 9.373 7.720 ( 0.000 13.639 0.341) 13.643 7.772 ( 0.000 5.959 1.155) 6.070 7.787 ( 0.000 -3.173 6.153) 6.923 7.967 ( 0.000 13.187 -4.207) 13.842 8.183 ( 0.000 -8.499 -7.862) 11.578 8.296 ( 0.000 6.882 0.580) 6.907 8.335 ( 0.000 5.621 -0.910) 5.694 8.380 ( 0.000 22.212 -1.321) 22.252 8.531 ( 0.000 5.715 -4.841) 7.490 8.834 ( 0.000 -21.266 -0.894) 21.285 8.852 ( 0.000 -20.408 -0.295) 20.410 9.317 ( 0.000 3.037 3.900) 4.944 9.360 ( 0.000 0.474 4.633) 4.657 9.491 ( 0.000 -2.619 0.210) 2.627 9.539 ( 0.000 -5.685 1.591) 5.903 9.750 ( 0.000 1.078 1.246) 1.647 9.780 ( 0.000 -1.445 -0.062) 1.446 10.189 ( 0.000 3.335 -0.571) 3.383 10.241 ( 0.000 -2.190 -2.832) 3.580 10.667 ( 0.000 3.578 4.083) 5.429 10.693 ( 0.000 0.709 1.666) 1.811 11.020 ( 0.000 0.766 2.451) 2.568 11.139 ( 0.000 -11.160 -2.130) 11.361 12.721 ( 0.000 5.851 2.112) 6.221 12.776 ( 0.000 7.219 -1.435) 7.361 12.828 ( 0.000 -4.271 2.817) 5.116 12.915 ( 0.000 -5.999 -2.005) 6.325 ======================= Grid point 121 (47/60) ======================= q-point: ( 0.25 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 3.240 4.344 4.271) 6.900 1.309 ( 1.861 3.080 2.629) 4.456 1.342 ( 0.624 1.451 3.052) 3.437 1.388 ( 1.533 0.625 0.102) 1.659 1.531 ( 2.028 5.316 1.528) 5.892 1.542 ( 1.561 1.687 2.359) 3.294 1.747 ( -0.019 0.287 1.964) 1.985 1.800 ( -1.135 -5.291 2.990) 6.182 1.837 ( 3.154 1.049 -1.481) 3.639 1.865 ( 2.122 -2.436 -0.746) 3.315 1.979 ( -1.212 7.302 -6.032) 9.548 2.028 ( -1.571 2.493 -8.105) 8.624 2.352 ( 0.272 8.572 -0.336) 8.583 2.446 ( 1.526 1.060 -5.065) 5.395 2.609 ( -5.506 3.118 1.349) 6.470 2.615 ( 0.359 4.171 -0.206) 4.191 2.684 ( -7.146 -1.173 -4.915) 8.752 2.744 ( -1.216 -0.371 -0.419) 1.339 2.789 ( -1.811 -0.058 -1.976) 2.682 2.829 ( -1.216 0.567 -1.843) 2.280 2.870 ( 0.243 -1.796 -6.660) 6.902 2.913 ( -0.162 -0.043 -2.986) 2.991 2.919 ( 0.339 -0.840 -6.970) 7.029 3.014 ( -1.348 -4.733 -5.809) 7.614 3.158 ( 2.584 3.532 2.838) 5.216 3.234 ( 2.271 -3.226 -0.019) 3.946 3.294 ( -0.152 1.757 -0.271) 1.784 3.321 ( -2.329 -0.579 -1.207) 2.686 3.424 ( 1.118 3.950 -0.917) 4.207 3.449 ( 1.663 4.110 -0.128) 4.436 3.545 ( 0.274 -3.633 -1.954) 4.134 3.587 ( 0.330 -4.859 -0.681) 4.917 3.725 ( 1.430 1.907 2.427) 3.402 3.756 ( 2.049 -0.906 0.768) 2.368 3.843 ( -2.060 2.207 -0.068) 3.020 3.875 ( -1.866 -0.048 -0.827) 2.042 3.969 ( 1.080 0.898 2.667) 3.014 4.033 ( 0.464 -3.909 1.571) 4.238 4.050 ( -1.711 1.416 2.930) 3.677 4.115 ( -3.017 -3.573 1.800) 5.011 4.271 ( 3.731 2.465 1.163) 4.621 4.287 ( 4.350 2.005 -0.959) 4.884 4.414 ( 0.256 -0.264 0.051) 0.371 4.448 ( -0.837 -2.699 -2.207) 3.585 4.567 ( 2.023 1.209 -3.623) 4.322 4.625 ( 0.463 -1.281 -3.584) 3.834 4.676 ( -1.453 0.718 -2.921) 3.341 4.693 ( -0.769 -1.212 -2.672) 3.033 4.794 ( -3.067 -1.038 1.345) 3.506 4.815 ( -2.778 -1.888 0.455) 3.390 4.839 ( -2.461 -4.801 0.556) 5.424 4.869 ( -3.704 -4.957 -0.359) 6.199 5.142 ( 0.927 -0.585 2.805) 3.012 5.164 ( 2.035 -2.317 1.373) 3.375 5.197 ( 0.509 2.113 0.973) 2.381 5.226 ( 0.875 1.408 -0.403) 1.706 5.337 ( 3.418 0.660 3.597) 5.006 5.415 ( 1.562 -1.908 -1.034) 2.673 5.497 ( 0.647 -0.423 3.700) 3.780 5.568 ( -0.284 -4.408 0.343) 4.431 5.995 ( 3.710 2.086 5.695) 7.110 6.030 ( 4.865 -1.504 3.432) 6.141 6.242 ( -4.424 1.930 0.399) 4.844 6.270 ( -3.265 -0.750 -1.176) 3.551 7.343 ( 2.180 2.747 -0.446) 3.536 7.351 ( 2.383 1.431 -0.727) 2.874 7.481 ( -2.685 3.369 0.514) 4.339 7.505 ( -3.149 2.334 -0.739) 3.988 7.695 ( 0.579 9.878 1.611) 10.025 7.718 ( -0.050 14.378 0.078) 14.378 7.785 ( 0.767 0.272 3.599) 3.690 7.799 ( 0.592 1.948 3.484) 4.035 8.010 ( 4.311 12.871 -3.349) 13.981 8.182 ( 0.371 -3.470 -8.177) 8.891 8.271 ( -2.300 4.332 1.384) 5.097 8.317 ( -1.619 5.103 -0.046) 5.354 8.408 ( 1.464 18.060 -2.462) 18.286 8.504 ( -2.260 10.549 -4.195) 11.576 8.829 ( 0.997 -21.717 1.441) 21.788 8.896 ( 1.260 -21.679 -1.977) 21.805 9.291 ( -0.741 1.342 2.940) 3.316 9.305 ( -1.969 0.465 3.317) 3.886 9.434 ( -4.511 -1.086 1.112) 4.771 9.476 ( -4.495 -5.193 0.089) 6.869 9.856 ( 7.409 2.235 1.591) 7.900 9.894 ( 7.739 -1.019 -0.015) 7.806 10.146 ( -3.576 2.609 0.809) 4.500 10.203 ( -3.542 -3.079 -1.750) 5.009 10.702 ( 3.093 3.990 3.425) 6.101 10.736 ( 3.578 0.799 1.017) 3.805 10.964 ( -4.365 -1.034 2.783) 5.279 11.061 ( -6.304 -10.318 -1.070) 12.139 12.738 ( 1.318 6.285 1.416) 6.576 12.777 ( -0.102 7.328 -1.066) 7.406 12.851 ( 1.799 -4.843 1.854) 5.488 12.911 ( -0.448 -5.834 -1.450) 6.028 ======================= Grid point 122 (48/60) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.595 3.663 2.129) 4.278 1.332 ( 0.595 3.663 2.129) 4.278 1.384 ( -2.203 -1.389 3.153) 4.089 1.384 ( 2.203 -1.389 3.153) 4.089 1.564 ( -0.222 8.617 2.952) 9.111 1.564 ( 0.222 8.617 2.952) 9.111 1.752 ( -1.639 -5.693 3.145) 6.707 1.752 ( 1.639 -5.693 3.145) 6.707 1.921 ( -3.726 5.274 -3.233) 7.221 1.921 ( 3.726 5.274 -3.233) 7.221 1.961 ( -4.500 0.287 -5.095) 6.804 1.961 ( 4.500 0.287 -5.095) 6.804 2.410 ( -5.104 6.820 -1.745) 8.695 2.410 ( 5.104 6.820 -1.745) 8.695 2.536 ( -3.636 -5.189 -4.079) 7.535 2.536 ( 3.636 -5.189 -4.079) 7.535 2.695 ( -3.321 6.927 -0.150) 7.684 2.695 ( 3.321 6.927 -0.150) 7.684 2.798 ( -1.595 -2.304 -0.470) 2.841 2.798 ( 1.595 -2.304 -0.470) 2.841 2.880 ( -1.121 1.285 -6.723) 6.936 2.880 ( 1.121 1.285 -6.723) 6.936 2.965 ( -2.579 -4.111 -5.584) 7.398 2.965 ( 2.579 -4.111 -5.584) 7.398 3.241 ( -4.306 2.199 0.299) 4.845 3.241 ( 4.306 2.199 0.299) 4.845 3.277 ( -1.517 -0.978 -0.836) 1.989 3.277 ( 1.517 -0.978 -0.836) 1.989 3.445 ( -1.108 5.030 -1.970) 5.514 3.445 ( 1.108 5.030 -1.970) 5.514 3.572 ( -1.510 -6.219 1.135) 6.499 3.572 ( 1.510 -6.219 1.135) 6.499 3.784 ( -3.126 3.006 1.540) 4.602 3.784 ( 3.126 3.006 1.540) 4.602 3.817 ( -3.031 -0.010 0.104) 3.033 3.817 ( 3.031 -0.010 0.104) 3.033 4.005 ( -1.966 0.221 1.495) 2.480 4.005 ( 1.966 0.221 1.495) 2.480 4.061 ( -1.850 -3.793 2.860) 5.098 4.061 ( 1.850 -3.793 2.860) 5.098 4.343 ( -1.542 2.836 -0.883) 3.347 4.343 ( 1.542 2.836 -0.883) 3.347 4.409 ( -1.750 -2.607 -0.745) 3.227 4.409 ( 1.750 -2.607 -0.745) 3.227 4.628 ( -2.914 2.234 -3.606) 5.147 4.628 ( 2.914 2.234 -3.606) 5.147 4.665 ( -2.104 1.668 -2.846) 3.913 4.665 ( 2.104 1.668 -2.846) 3.913 4.765 ( -1.040 -3.450 0.978) 3.734 4.765 ( 1.040 -3.450 0.978) 3.734 4.810 ( -0.931 -6.843 -0.400) 6.918 4.810 ( 0.931 -6.843 -0.400) 6.918 5.173 ( -1.698 0.911 1.712) 2.578 5.173 ( 1.698 0.911 1.712) 2.578 5.213 ( -2.025 -3.227 0.115) 3.812 5.213 ( 2.025 -3.227 0.115) 3.812 5.421 ( -2.856 5.367 2.710) 6.656 5.421 ( 2.856 5.367 2.710) 6.656 5.526 ( -2.882 -5.347 2.274) 6.486 5.526 ( 2.882 -5.347 2.274) 6.486 6.113 ( -5.740 3.009 2.601) 6.984 6.113 ( 5.740 3.009 2.601) 6.984 6.165 ( -5.453 -2.074 0.801) 5.889 6.165 ( 5.453 -2.074 0.801) 5.889 7.408 ( -3.367 2.602 -0.031) 4.255 7.408 ( 3.367 2.602 -0.031) 4.255 7.423 ( -3.726 1.715 -0.604) 4.146 7.423 ( 3.726 1.715 -0.604) 4.146 7.710 ( -0.644 12.384 0.496) 12.411 7.710 ( 0.644 12.384 0.496) 12.411 7.800 ( -0.473 1.026 3.343) 3.529 7.800 ( 0.473 1.026 3.343) 3.529 8.136 ( -5.838 11.627 -3.459) 13.463 8.136 ( 5.838 11.627 -3.459) 13.463 8.262 ( -2.702 -2.878 -1.449) 4.204 8.262 ( 2.702 -2.878 -1.449) 4.204 8.447 ( -2.410 15.997 -2.399) 16.354 8.447 ( 2.410 15.997 -2.399) 16.354 8.872 ( -2.495 -22.019 0.500) 22.165 8.872 ( 2.495 -22.019 0.500) 22.165 9.321 ( -2.299 1.363 1.570) 3.100 9.321 ( 2.299 1.363 1.570) 3.100 9.366 ( -3.699 -3.679 0.333) 5.228 9.366 ( 3.699 -3.679 0.333) 5.228 9.998 ( -3.286 5.216 0.429) 6.180 9.998 ( 3.286 5.216 0.429) 6.180 10.101 ( -3.902 -4.890 1.030) 6.340 10.101 ( 3.902 -4.890 1.030) 6.340 10.780 ( -2.448 5.549 1.570) 6.265 10.780 ( 2.448 5.549 1.570) 6.265 10.923 ( -3.999 -9.063 1.556) 10.028 10.923 ( 3.999 -9.063 1.556) 10.028 12.766 ( -1.002 6.959 0.048) 7.031 12.766 ( 1.002 6.959 0.048) 7.031 12.890 ( -1.495 -5.418 -0.002) 5.620 12.890 ( 1.495 -5.418 -0.002) 5.620 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 0.000 -12.357) 12.357 1.054 ( 0.000 0.000 12.357) 12.357 1.106 ( 0.000 0.000 -8.390) 8.390 1.106 ( 0.000 0.000 8.390) 8.390 1.349 ( 0.000 0.000 -3.605) 3.605 1.349 ( 0.000 0.000 3.605) 3.605 1.392 ( 0.000 0.000 -3.242) 3.242 1.392 ( 0.000 0.000 3.242) 3.242 1.539 ( 0.000 0.000 -5.935) 5.935 1.539 ( 0.000 0.000 5.935) 5.935 1.833 ( 0.000 0.000 -4.903) 4.903 1.833 ( 0.000 0.000 4.903) 4.903 2.391 ( 0.000 0.000 -0.284) 0.284 2.391 ( 0.000 0.000 0.284) 0.284 2.515 ( 0.000 0.000 -9.643) 9.643 2.515 ( 0.000 0.000 9.643) 9.643 2.636 ( 0.000 0.000 -5.349) 5.349 2.636 ( 0.000 0.000 5.349) 5.349 2.695 ( 0.000 0.000 -6.936) 6.936 2.695 ( 0.000 0.000 6.936) 6.936 2.948 ( 0.000 0.000 -0.684) 0.684 2.948 ( 0.000 0.000 0.684) 0.684 2.969 ( 0.000 0.000 -3.188) 3.188 2.969 ( 0.000 0.000 3.188) 3.188 3.272 ( 0.000 0.000 -6.524) 6.524 3.272 ( 0.000 0.000 6.524) 6.524 3.288 ( 0.000 0.000 -5.435) 5.435 3.288 ( 0.000 0.000 5.435) 5.435 3.407 ( 0.000 0.000 -0.606) 0.606 3.407 ( 0.000 0.000 0.606) 0.606 3.435 ( 0.000 0.000 -5.198) 5.198 3.435 ( 0.000 0.000 5.198) 5.198 3.674 ( 0.000 0.000 -2.595) 2.595 3.674 ( 0.000 0.000 2.595) 2.595 3.903 ( 0.000 0.000 -3.948) 3.948 3.903 ( 0.000 0.000 3.948) 3.948 4.078 ( 0.000 0.000 -3.163) 3.163 4.078 ( 0.000 0.000 3.163) 3.163 4.257 ( 0.000 0.000 -1.050) 1.050 4.257 ( 0.000 0.000 1.050) 1.050 4.273 ( 0.000 0.000 -7.160) 7.160 4.273 ( 0.000 0.000 7.160) 7.160 4.405 ( 0.000 0.000 -4.935) 4.935 4.405 ( 0.000 0.000 4.935) 4.935 4.516 ( 0.000 0.000 -0.722) 0.722 4.516 ( 0.000 0.000 0.722) 0.722 4.847 ( 0.000 0.000 -2.392) 2.392 4.847 ( 0.000 0.000 2.392) 2.392 4.924 ( 0.000 0.000 -0.606) 0.606 4.924 ( 0.000 0.000 0.606) 0.606 5.042 ( 0.000 0.000 -2.530) 2.530 5.042 ( 0.000 0.000 2.530) 2.530 5.111 ( 0.000 0.000 -2.811) 2.811 5.111 ( 0.000 0.000 2.811) 2.811 5.178 ( 0.000 0.000 -1.275) 1.275 5.178 ( 0.000 0.000 1.275) 1.275 5.307 ( 0.000 0.000 -2.997) 2.997 5.307 ( 0.000 0.000 2.997) 2.997 5.836 ( 0.000 0.000 -2.440) 2.440 5.836 ( 0.000 0.000 2.440) 2.440 5.866 ( 0.000 0.000 -1.552) 1.552 5.866 ( 0.000 0.000 1.552) 1.552 6.159 ( 0.000 0.000 -0.898) 0.898 6.159 ( 0.000 0.000 0.898) 0.898 6.694 ( 0.000 0.000 -0.979) 0.979 6.694 ( 0.000 0.000 0.979) 0.979 6.761 ( 0.000 0.000 -0.622) 0.622 6.761 ( 0.000 0.000 0.622) 0.622 7.204 ( 0.000 0.000 -0.207) 0.207 7.204 ( 0.000 0.000 0.207) 0.207 7.585 ( 0.000 0.000 -5.561) 5.561 7.585 ( 0.000 0.000 5.561) 5.561 8.198 ( 0.000 0.000 -3.095) 3.095 8.198 ( 0.000 0.000 3.095) 3.095 8.249 ( 0.000 0.000 -8.400) 8.400 8.249 ( 0.000 0.000 8.400) 8.400 8.328 ( 0.000 0.000 -4.188) 4.188 8.328 ( 0.000 0.000 4.188) 4.188 9.168 ( 0.000 0.000 -2.716) 2.716 9.168 ( 0.000 0.000 2.716) 2.716 9.487 ( 0.000 0.000 -1.699) 1.699 9.487 ( 0.000 0.000 1.699) 1.699 9.526 ( 0.000 0.000 -3.203) 3.203 9.526 ( 0.000 0.000 3.203) 3.203 9.954 ( 0.000 0.000 -3.846) 3.846 9.954 ( 0.000 0.000 3.846) 3.846 10.162 ( 0.000 0.000 -2.613) 2.613 10.162 ( 0.000 0.000 2.613) 2.613 10.598 ( 0.000 0.000 -2.425) 2.425 10.598 ( 0.000 0.000 2.425) 2.425 11.482 ( 0.000 0.000 -14.893) 14.893 11.482 ( 0.000 0.000 14.893) 14.893 12.591 ( 0.000 0.000 -0.555) 0.555 12.591 ( 0.000 0.000 0.555) 0.555 12.931 ( 0.000 0.000 -3.102) 3.102 12.931 ( 0.000 0.000 3.102) 3.102 ======================= Grid point 142 (50/60) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( 4.290 0.000 -10.249) 11.111 1.111 ( 4.290 0.000 10.249) 11.111 1.115 ( 0.677 0.000 -6.921) 6.954 1.115 ( 0.677 0.000 6.921) 6.954 1.308 ( -2.417 0.000 -3.159) 3.977 1.308 ( -2.417 0.000 3.159) 3.977 1.386 ( -0.750 0.000 -4.136) 4.203 1.386 ( -0.750 0.000 4.136) 4.203 1.605 ( 4.298 0.000 -4.042) 5.900 1.605 ( 4.298 0.000 4.042) 5.900 1.823 ( -0.475 0.000 -3.322) 3.356 1.823 ( -0.475 0.000 3.322) 3.356 2.378 ( -1.252 0.000 -2.505) 2.801 2.378 ( -1.252 0.000 2.505) 2.801 2.544 ( 2.297 0.000 -5.600) 6.053 2.544 ( 2.297 0.000 5.600) 6.053 2.607 ( -2.855 0.000 -2.447) 3.760 2.607 ( -2.855 0.000 2.447) 3.760 2.664 ( -1.787 0.000 -3.136) 3.610 2.664 ( -1.787 0.000 3.136) 3.610 2.929 ( -1.834 0.000 -1.560) 2.408 2.929 ( -1.834 0.000 1.560) 2.408 2.932 ( -1.415 0.000 -1.332) 1.943 2.932 ( -1.415 0.000 1.332) 1.943 3.253 ( -2.310 0.000 -3.405) 4.114 3.253 ( -2.310 0.000 3.405) 4.114 3.344 ( 4.392 0.000 -5.110) 6.738 3.344 ( 4.392 0.000 5.110) 6.738 3.385 ( -2.087 0.000 -2.281) 3.092 3.385 ( -2.087 0.000 2.281) 3.092 3.425 ( 0.216 0.000 -0.644) 0.679 3.425 ( 0.216 0.000 0.644) 0.679 3.674 ( -0.023 0.000 -2.620) 2.620 3.674 ( -0.023 0.000 2.620) 2.620 3.918 ( 0.642 0.000 -2.774) 2.847 3.918 ( 0.642 0.000 2.774) 2.847 4.089 ( 0.853 0.000 -2.448) 2.593 4.089 ( 0.853 0.000 2.448) 2.593 4.260 ( 0.228 0.000 -1.066) 1.090 4.260 ( 0.228 0.000 1.066) 1.090 4.316 ( 2.345 0.000 -4.434) 5.016 4.316 ( 2.345 0.000 4.434) 5.016 4.431 ( 2.824 0.000 -4.934) 5.685 4.431 ( 2.824 0.000 4.934) 5.685 4.498 ( -1.298 0.000 -0.482) 1.384 4.498 ( -1.298 0.000 0.482) 1.384 4.839 ( -0.603 0.000 -1.785) 1.884 4.839 ( -0.603 0.000 1.785) 1.884 4.935 ( 0.735 0.000 -1.379) 1.562 4.935 ( 0.735 0.000 1.379) 1.562 5.017 ( -1.908 0.000 -0.959) 2.135 5.017 ( -1.908 0.000 0.959) 2.135 5.115 ( 0.359 0.000 -1.380) 1.426 5.115 ( 0.359 0.000 1.380) 1.426 5.177 ( -0.055 0.000 -0.780) 0.782 5.177 ( -0.055 0.000 0.780) 0.782 5.315 ( 0.464 0.000 -2.470) 2.514 5.315 ( 0.464 0.000 2.470) 2.514 5.840 ( -1.851 0.000 -2.024) 2.743 5.840 ( -1.851 0.000 2.024) 2.743 5.877 ( 3.614 0.000 -2.516) 4.403 5.877 ( 3.614 0.000 2.516) 4.403 6.107 ( -4.459 0.000 -1.898) 4.846 6.107 ( -4.459 0.000 1.898) 4.846 6.695 ( 0.127 0.000 -0.688) 0.700 6.695 ( 0.127 0.000 0.688) 0.700 6.761 ( 0.054 0.000 -0.489) 0.492 6.761 ( 0.054 0.000 0.489) 0.492 7.255 ( 3.773 0.000 -2.050) 4.294 7.255 ( 3.773 0.000 2.050) 4.294 7.587 ( 0.107 0.000 -4.946) 4.947 7.587 ( 0.107 0.000 4.946) 4.947 8.221 ( -2.229 0.000 -6.629) 6.994 8.221 ( -2.229 0.000 6.629) 6.994 8.223 ( 1.980 0.000 -3.468) 3.993 8.223 ( 1.980 0.000 3.468) 3.993 8.316 ( -1.031 0.000 -4.170) 4.295 8.316 ( -1.031 0.000 4.170) 4.295 9.159 ( -0.242 0.000 -0.705) 0.745 9.159 ( -0.242 0.000 0.705) 0.745 9.419 ( -4.844 0.000 -2.865) 5.628 9.419 ( -4.844 0.000 2.865) 5.628 9.522 ( -0.333 0.000 -2.286) 2.310 9.522 ( -0.333 0.000 2.286) 2.310 9.997 ( 2.981 0.000 -1.807) 3.486 9.997 ( 2.981 0.000 1.807) 3.486 10.184 ( 1.014 0.000 -3.124) 3.285 10.184 ( 1.014 0.000 3.124) 3.285 10.658 ( 4.976 0.000 -3.305) 5.974 10.658 ( 4.976 0.000 3.305) 5.974 11.410 ( -5.657 0.000 -11.518) 12.832 11.410 ( -5.657 0.000 11.518) 12.832 12.588 ( -0.224 0.000 -0.568) 0.611 12.588 ( -0.224 0.000 0.568) 0.611 12.940 ( 0.657 0.000 -2.085) 2.186 12.940 ( 0.657 0.000 2.085) 2.186 ======================= Grid point 144 (51/60) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.125 ( 0.000 0.000 0.000) 0.000 1.125 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.278 ( 0.000 0.000 -0.000) 0.000 1.278 ( -0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.820 ( -0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.578 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 -0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 -0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 -0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 3.923 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.102 ( 0.000 0.000 0.000) 0.000 4.263 ( -0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.480 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.945 ( -0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 4.989 ( -0.000 0.000 0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.120 ( -0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.177 ( -0.000 0.000 -0.000) 0.000 5.177 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.815 ( 0.000 0.000 0.000) 0.000 5.967 ( -0.000 0.000 -0.000) 0.000 5.967 ( -0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.697 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.309 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.187 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.259 ( 0.000 0.000 0.000) 0.000 8.293 ( -0.000 0.000 -0.000) 0.000 8.293 ( -0.000 0.000 0.000) 0.000 9.164 ( -0.000 0.000 0.000) 0.000 9.164 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 10.038 ( -0.000 0.000 0.000) 0.000 10.038 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.191 ( 0.000 0.000 0.000) 0.000 10.739 ( 0.000 0.000 0.000) 0.000 10.739 ( -0.000 0.000 0.000) 0.000 11.322 ( 0.000 0.000 0.000) 0.000 11.322 ( 0.000 0.000 0.000) 0.000 12.585 ( -0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 12.949 ( 0.000 0.000 0.000) 0.000 12.949 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 150 (52/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 0.000 3.102 -10.088) 10.554 1.075 ( 0.000 3.102 10.088) 10.554 1.214 ( 0.000 8.023 -5.698) 9.841 1.214 ( 0.000 8.023 5.698) 9.840 1.410 ( 0.000 3.266 -1.493) 3.591 1.410 ( 0.000 3.266 1.493) 3.591 1.476 ( 0.000 11.451 -2.098) 11.642 1.476 ( 0.000 11.451 2.098) 11.642 1.648 ( 0.000 6.440 -3.515) 7.337 1.648 ( 0.000 6.440 3.515) 7.337 1.832 ( 0.000 3.409 -0.591) 3.459 1.832 ( 0.000 3.409 0.591) 3.459 2.316 ( 0.000 -6.476 -0.445) 6.491 2.316 ( 0.000 -6.476 0.445) 6.491 2.499 ( 0.000 -0.386 -9.031) 9.039 2.499 ( 0.000 -0.386 9.031) 9.039 2.704 ( 0.000 4.953 -2.827) 5.703 2.704 ( 0.000 4.953 2.827) 5.703 2.749 ( 0.000 4.081 -4.870) 6.354 2.749 ( 0.000 4.081 4.870) 6.354 2.921 ( 0.000 -2.419 -0.104) 2.422 2.921 ( 0.000 -2.419 0.104) 2.422 2.996 ( 0.000 2.290 -3.452) 4.142 2.996 ( 0.000 2.290 3.452) 4.142 3.218 ( 0.000 -4.115 -7.696) 8.727 3.218 ( 0.000 -4.115 7.696) 8.727 3.274 ( 0.000 -1.028 -4.520) 4.635 3.274 ( 0.000 -1.028 4.520) 4.635 3.399 ( 0.000 -1.284 -0.527) 1.388 3.399 ( 0.000 -1.284 0.527) 1.388 3.484 ( 0.000 4.554 -4.404) 6.335 3.484 ( 0.000 4.554 4.404) 6.335 3.701 ( 0.000 2.197 -2.280) 3.166 3.701 ( 0.000 2.197 2.280) 3.166 3.885 ( 0.000 -1.613 -3.681) 4.019 3.885 ( 0.000 -1.613 3.681) 4.019 4.090 ( 0.000 0.668 -1.704) 1.830 4.090 ( 0.000 0.668 1.704) 1.830 4.194 ( 0.000 -5.136 -1.627) 5.387 4.194 ( 0.000 -5.136 1.627) 5.387 4.274 ( 0.000 -0.209 -3.287) 3.294 4.274 ( 0.000 -0.209 3.287) 3.294 4.371 ( 0.000 -2.486 -4.324) 4.988 4.371 ( 0.000 -2.486 4.324) 4.988 4.606 ( 0.000 5.694 -1.713) 5.946 4.606 ( 0.000 5.694 1.713) 5.946 4.831 ( 0.000 -2.827 -1.731) 3.315 4.831 ( 0.000 -2.827 1.731) 3.315 4.975 ( 0.000 0.778 -0.964) 1.239 4.975 ( 0.000 0.778 0.964) 1.239 4.981 ( 0.000 -4.840 -2.219) 5.324 4.981 ( 0.000 -4.840 2.219) 5.324 5.100 ( 0.000 0.381 -0.029) 0.382 5.100 ( 0.000 0.381 0.029) 0.382 5.261 ( 0.000 5.538 -1.736) 5.803 5.261 ( 0.000 5.538 1.736) 5.803 5.305 ( 0.000 0.910 -1.080) 1.412 5.305 ( 0.000 0.910 1.080) 1.412 5.777 ( 0.000 -5.787 -0.281) 5.793 5.777 ( 0.000 -5.787 0.281) 5.793 5.920 ( 0.000 5.568 -3.451) 6.550 5.920 ( 0.000 5.568 3.451) 6.550 6.178 ( 0.000 3.979 -0.576) 4.021 6.178 ( 0.000 3.979 0.576) 4.021 6.611 ( 0.000 6.565 -0.397) 6.577 6.611 ( 0.000 6.565 0.397) 6.577 7.115 ( 0.000 20.955 -0.120) 20.955 7.115 ( 0.000 20.955 0.120) 20.955 7.244 ( 0.000 5.495 -0.770) 5.549 7.244 ( 0.000 5.495 0.770) 5.549 7.580 ( 0.000 -0.366 -4.987) 5.000 7.580 ( 0.000 -0.366 4.987) 5.000 8.122 ( 0.000 -7.673 -3.280) 8.345 8.122 ( 0.000 -7.673 3.280) 8.345 8.232 ( 0.000 0.503 -1.424) 1.510 8.232 ( 0.000 0.503 1.424) 1.510 8.342 ( 0.000 0.455 -2.424) 2.466 8.342 ( 0.000 0.455 2.424) 2.466 9.207 ( 0.000 2.861 -2.446) 3.764 9.207 ( 0.000 2.861 2.446) 3.764 9.426 ( 0.000 -5.937 -0.363) 5.948 9.426 ( 0.000 -5.937 0.363) 5.948 9.565 ( 0.000 3.277 -3.455) 4.762 9.565 ( 0.000 3.277 3.455) 4.762 9.918 ( 0.000 -4.416 -2.160) 4.915 9.918 ( 0.000 -4.416 2.160) 4.915 10.164 ( 0.000 0.790 -4.345) 4.416 10.164 ( 0.000 0.790 4.345) 4.416 10.603 ( 0.000 0.674 -2.206) 2.307 10.603 ( 0.000 0.674 2.206) 2.307 11.415 ( 0.000 -6.701 -13.334) 14.923 11.415 ( 0.000 -6.701 13.334) 14.923 12.598 ( 0.000 1.012 -0.239) 1.040 12.598 ( 0.000 1.012 0.239) 1.040 12.941 ( 0.000 0.736 -3.064) 3.151 12.941 ( 0.000 0.736 3.064) 3.151 ======================= Grid point 152 (53/60) ======================= q-point: ( 0.25 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 4.218 3.013 -8.387) 9.860 1.130 ( 4.218 3.013 8.387) 9.860 1.249 ( 2.758 9.427 -6.391) 11.718 1.249 ( 2.758 9.427 6.391) 11.718 1.376 ( -2.436 2.901 -2.767) 4.691 1.376 ( -2.436 2.901 2.767) 4.691 1.441 ( -2.698 11.332 -3.048) 12.041 1.441 ( -2.698 11.332 3.048) 12.041 1.707 ( 4.110 3.210 -1.213) 5.354 1.707 ( 4.110 3.210 1.213) 5.354 1.822 ( -0.537 5.293 -2.719) 5.975 1.822 ( -0.537 5.293 2.719) 5.975 2.331 ( 0.506 -4.279 -1.522) 4.569 2.331 ( 0.506 -4.279 1.522) 4.569 2.509 ( 1.243 -1.559 -4.760) 5.161 2.509 ( 1.243 -1.559 4.760) 5.161 2.654 ( -4.506 3.004 -1.207) 5.549 2.654 ( -4.506 3.004 1.207) 5.549 2.734 ( -0.529 5.511 -2.199) 5.957 2.734 ( -0.529 5.511 2.199) 5.957 2.895 ( -2.579 -2.319 -0.679) 3.534 2.895 ( -2.579 -2.319 0.679) 3.534 2.956 ( -1.202 1.203 -1.953) 2.589 2.956 ( -1.202 1.203 1.953) 2.589 3.221 ( -0.961 -2.905 -2.687) 4.072 3.221 ( -0.961 -2.905 2.687) 4.072 3.305 ( 2.308 -1.505 -3.608) 4.540 3.305 ( 2.308 -1.505 3.608) 4.540 3.403 ( 0.090 -1.247 -2.079) 2.426 3.403 ( 0.090 -1.247 2.079) 2.426 3.471 ( -0.428 5.602 -2.830) 6.291 3.471 ( -0.428 5.602 2.830) 6.291 3.705 ( 0.313 2.482 -2.245) 3.361 3.705 ( 0.313 2.482 2.245) 3.361 3.891 ( 0.311 -2.513 -2.916) 3.862 3.891 ( 0.311 -2.513 2.916) 3.862 4.105 ( 0.976 1.212 -1.797) 2.377 4.105 ( 0.976 1.212 1.797) 2.377 4.202 ( 0.049 -5.323 -0.312) 5.332 4.202 ( 0.049 -5.323 0.312) 5.332 4.302 ( 2.732 -1.315 -3.563) 4.679 4.302 ( 2.732 -1.315 3.563) 4.679 4.391 ( 1.058 -1.879 -5.528) 5.934 4.391 ( 1.058 -1.879 5.528) 5.934 4.572 ( -2.042 3.645 -0.934) 4.281 4.572 ( -2.042 3.645 0.934) 4.281 4.825 ( -0.539 -2.998 -1.687) 3.482 4.825 ( -0.539 -2.998 1.687) 3.482 4.938 ( -1.580 -4.275 -1.517) 4.804 4.938 ( -1.580 -4.275 1.517) 4.804 5.015 ( 0.709 -0.207 -0.342) 0.814 5.015 ( 0.709 -0.207 0.342) 0.814 5.124 ( 2.703 2.579 -0.562) 3.779 5.124 ( 2.703 2.579 0.562) 3.779 5.243 ( -1.521 5.195 -3.207) 6.292 5.243 ( -1.521 5.195 3.207) 6.292 5.318 ( 0.820 1.122 -2.432) 2.801 5.318 ( 0.820 1.122 2.432) 2.801 5.771 ( -0.729 -5.794 -1.638) 6.065 5.771 ( -0.729 -5.794 1.638) 6.065 5.943 ( 2.510 6.099 -2.905) 7.207 5.943 ( 2.510 6.099 2.905) 7.207 6.132 ( -3.929 4.331 -1.242) 5.978 6.132 ( -3.929 4.331 1.242) 5.978 6.613 ( 0.146 6.803 -0.257) 6.810 6.613 ( 0.146 6.803 0.257) 6.810 7.121 ( 0.414 22.025 -0.297) 22.031 7.121 ( 0.414 22.025 0.297) 22.031 7.282 ( 2.753 3.383 -1.613) 4.650 7.282 ( 2.753 3.383 1.613) 4.650 7.586 ( 0.525 0.204 -4.441) 4.477 7.586 ( 0.525 0.204 4.441) 4.477 8.095 ( -2.448 -8.670 -4.369) 10.013 8.095 ( -2.448 -8.670 4.369) 10.013 8.240 ( 0.971 0.584 -2.356) 2.614 8.240 ( 0.971 0.584 2.356) 2.614 8.341 ( -0.203 0.797 -2.352) 2.492 8.341 ( -0.203 0.797 2.352) 2.492 9.207 ( 0.253 3.914 -0.944) 4.034 9.207 ( 0.253 3.914 0.944) 4.034 9.405 ( -1.480 -4.152 -0.728) 4.467 9.405 ( -1.480 -4.152 0.728) 4.467 9.508 ( -4.059 0.571 -4.467) 6.062 9.508 ( -4.059 0.571 4.467) 6.062 9.959 ( 2.896 -3.937 -1.410) 5.086 9.959 ( 2.896 -3.937 1.410) 5.086 10.187 ( 1.203 0.463 -3.858) 4.068 10.187 ( 1.203 0.463 3.858) 4.068 10.655 ( 4.395 0.064 -2.987) 5.315 10.655 ( 4.395 0.064 2.987) 5.315 11.347 ( -5.301 -6.297 -10.303) 13.187 11.347 ( -5.301 -6.297 10.303) 13.187 12.597 ( -0.063 1.232 -0.426) 1.305 12.597 ( -0.063 1.232 0.426) 1.305 12.950 ( 0.634 0.700 -2.077) 2.282 12.950 ( 0.634 0.700 2.077) 2.282 ======================= Grid point 154 (54/60) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.000 3.159 -0.000) 3.159 1.197 ( 0.000 3.159 0.000) 3.159 1.289 ( 0.000 10.050 0.000) 10.050 1.289 ( 0.000 10.050 0.000) 10.050 1.351 ( -0.000 4.019 0.000) 4.019 1.351 ( 0.000 4.019 -0.000) 4.019 1.387 ( -0.000 9.607 0.000) 9.607 1.387 ( 0.000 9.607 0.000) 9.607 1.774 ( -0.000 -4.095 0.000) 4.095 1.774 ( 0.000 -4.095 0.000) 4.095 1.808 ( -0.000 12.061 -0.000) 12.061 1.808 ( 0.000 12.061 -0.000) 12.061 2.331 ( 0.000 -2.305 0.000) 2.305 2.331 ( 0.000 -2.305 0.000) 2.305 2.544 ( 0.000 -1.810 0.000) 1.810 2.544 ( 0.000 -1.810 0.000) 1.810 2.572 ( -0.000 0.823 -0.000) 0.823 2.572 ( 0.000 0.823 0.000) 0.823 2.732 ( -0.000 6.532 -0.000) 6.532 2.732 ( 0.000 6.532 -0.000) 6.532 2.856 ( 0.000 -2.681 0.000) 2.681 2.856 ( 0.000 -2.681 0.000) 2.681 2.946 ( -0.000 1.044 0.000) 1.044 2.946 ( 0.000 1.044 0.000) 1.044 3.208 ( -0.000 -1.386 0.000) 1.386 3.208 ( 0.000 -1.386 0.000) 1.386 3.327 ( 0.000 -1.892 -0.000) 1.892 3.327 ( 0.000 -1.892 0.000) 1.892 3.403 ( -0.000 -2.017 0.000) 2.017 3.403 ( 0.000 -2.017 0.000) 2.017 3.471 ( 0.000 5.843 0.000) 5.843 3.471 ( 0.000 5.843 0.000) 5.843 3.710 ( 0.000 2.911 0.000) 2.911 3.710 ( 0.000 2.911 0.000) 2.911 3.894 ( 0.000 -2.710 0.000) 2.710 3.894 ( 0.000 -2.710 0.000) 2.710 4.118 ( 0.000 1.337 -0.000) 1.337 4.118 ( 0.000 1.337 0.000) 1.337 4.200 ( -0.000 -5.445 0.000) 5.445 4.200 ( 0.000 -5.445 0.000) 5.445 4.352 ( -0.000 0.856 -0.000) 0.856 4.352 ( 0.000 0.856 -0.000) 0.856 4.390 ( 0.000 -4.182 0.000) 4.182 4.390 ( -0.000 -4.182 0.000) 4.182 4.553 ( -0.000 1.777 0.000) 1.777 4.553 ( 0.000 1.777 0.000) 1.777 4.816 ( 0.000 -3.361 0.000) 3.361 4.816 ( 0.000 -3.361 0.000) 3.361 4.917 ( 0.000 -4.934 0.000) 4.934 4.917 ( 0.000 -4.934 0.000) 4.934 5.018 ( 0.000 -0.167 0.000) 0.167 5.018 ( 0.000 -0.167 0.000) 0.167 5.188 ( -0.000 0.856 -0.000) 0.856 5.188 ( 0.000 0.856 -0.000) 0.856 5.201 ( -0.000 9.189 0.000) 9.189 5.201 ( 0.000 9.189 0.000) 9.189 5.328 ( 0.000 0.971 0.000) 0.971 5.328 ( 0.000 0.971 0.000) 0.971 5.758 ( 0.000 -5.335 0.000) 5.335 5.758 ( 0.000 -5.335 0.000) 5.335 6.027 ( -0.000 8.249 -0.000) 8.249 6.027 ( -0.000 8.249 0.000) 8.249 6.031 ( -0.000 2.468 -0.000) 2.468 6.031 ( 0.000 2.468 0.000) 2.468 6.615 ( -0.000 6.993 -0.000) 6.993 6.615 ( 0.000 6.993 0.000) 6.993 7.127 ( 0.000 22.909 -0.000) 22.909 7.127 ( 0.000 22.909 0.000) 22.909 7.321 ( 0.000 1.252 0.000) 1.252 7.321 ( -0.000 1.252 0.000) 1.252 7.596 ( -0.000 1.215 0.000) 1.215 7.596 ( 0.000 1.215 0.000) 1.215 8.055 ( 0.000 -9.371 0.000) 9.371 8.055 ( 0.000 -9.371 0.000) 9.371 8.258 ( 0.000 0.156 -0.000) 0.156 8.258 ( 0.000 0.156 0.000) 0.156 8.335 ( 0.000 1.227 0.000) 1.227 8.335 ( 0.000 1.227 0.000) 1.227 9.216 ( -0.000 4.360 0.000) 4.360 9.216 ( 0.000 4.360 0.000) 4.360 9.383 ( 0.000 2.874 -0.000) 2.874 9.383 ( -0.000 2.874 0.000) 2.874 9.452 ( 0.000 -6.829 -0.000) 6.829 9.452 ( 0.000 -6.829 0.000) 6.829 9.999 ( -0.000 -3.574 -0.000) 3.574 9.999 ( 0.000 -3.574 0.000) 3.574 10.198 ( -0.000 0.425 0.000) 0.425 10.198 ( 0.000 0.425 0.000) 0.425 10.727 ( 0.000 -0.861 0.000) 0.861 10.727 ( -0.000 -0.861 0.000) 0.861 11.265 ( 0.000 -5.746 0.000) 5.746 11.265 ( 0.000 -5.746 0.000) 5.746 12.596 ( -0.000 1.429 0.000) 1.429 12.596 ( 0.000 1.429 0.000) 1.429 12.958 ( 0.000 0.679 0.000) 0.679 12.958 ( 0.000 0.679 0.000) 0.679 ======================= Grid point 160 (55/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 0.000 8.625 -6.022) 10.519 1.190 ( 0.000 8.625 6.022) 10.519 1.301 ( 0.000 1.515 -0.331) 1.550 1.301 ( 0.000 1.515 0.331) 1.550 1.519 ( 0.000 3.682 -6.380) 7.366 1.519 ( 0.000 3.682 6.380) 7.366 1.643 ( 0.000 3.726 -0.195) 3.731 1.643 ( 0.000 3.726 0.195) 3.731 1.755 ( 0.000 11.529 -3.894) 12.169 1.755 ( 0.000 11.529 3.894) 12.169 1.986 ( 0.000 2.910 -3.320) 4.415 1.986 ( 0.000 2.910 3.320) 4.415 2.223 ( 0.000 1.847 -0.550) 1.928 2.223 ( 0.000 1.847 0.550) 1.928 2.530 ( 0.000 4.065 -7.269) 8.328 2.530 ( 0.000 4.065 7.269) 8.328 2.762 ( 0.000 0.594 -1.314) 1.442 2.762 ( 0.000 0.594 1.314) 1.442 2.801 ( 0.000 0.590 -1.674) 1.775 2.801 ( 0.000 0.590 1.674) 1.775 2.876 ( 0.000 -2.374 -2.075) 3.153 2.876 ( 0.000 -2.374 2.075) 3.153 3.027 ( 0.000 0.271 -1.230) 1.260 3.027 ( 0.000 0.271 1.230) 1.260 3.150 ( 0.000 -1.992 -4.635) 5.045 3.150 ( 0.000 -1.992 4.635) 5.045 3.284 ( 0.000 2.503 -3.331) 4.166 3.284 ( 0.000 2.503 3.331) 4.166 3.371 ( 0.000 -1.237 -0.907) 1.534 3.371 ( 0.000 -1.237 0.907) 1.534 3.564 ( 0.000 2.681 -0.763) 2.787 3.564 ( 0.000 2.681 0.763) 2.787 3.739 ( 0.000 1.267 -1.446) 1.922 3.739 ( 0.000 1.267 1.446) 1.922 3.859 ( 0.000 -0.476 -2.818) 2.858 3.859 ( 0.000 -0.476 2.818) 2.858 4.051 ( 0.000 -4.402 -4.905) 6.591 4.051 ( 0.000 -4.402 4.905) 6.591 4.150 ( 0.000 1.047 -2.479) 2.691 4.150 ( 0.000 1.047 2.479) 2.691 4.241 ( 0.000 -2.624 -5.721) 6.294 4.241 ( 0.000 -2.624 5.721) 6.294 4.353 ( 0.000 0.890 -0.949) 1.301 4.353 ( 0.000 0.890 0.949) 1.301 4.670 ( 0.000 0.573 -1.098) 1.238 4.670 ( 0.000 0.573 1.098) 1.238 4.713 ( 0.000 -7.483 -2.854) 8.009 4.713 ( 0.000 -7.483 2.854) 8.009 4.924 ( 0.000 -3.380 -2.181) 4.023 4.924 ( 0.000 -3.380 2.181) 4.023 4.948 ( 0.000 -2.198 -1.874) 2.888 4.948 ( 0.000 -2.198 1.874) 2.888 5.097 ( 0.000 1.622 -0.565) 1.717 5.097 ( 0.000 1.622 0.565) 1.717 5.235 ( 0.000 -3.979 -1.237) 4.167 5.235 ( 0.000 -3.979 1.237) 4.167 5.385 ( 0.000 2.678 -2.952) 3.986 5.385 ( 0.000 2.678 2.952) 3.986 5.633 ( 0.000 -8.288 -0.396) 8.298 5.633 ( 0.000 -8.288 0.396) 8.298 6.001 ( 0.000 2.525 -1.686) 3.036 6.001 ( 0.000 2.525 1.686) 3.036 6.265 ( 0.000 2.405 -0.696) 2.503 6.265 ( 0.000 2.405 0.696) 2.503 7.055 ( 0.000 32.580 -0.405) 32.582 7.055 ( 0.000 32.580 0.405) 32.582 7.296 ( 0.000 6.402 -1.865) 6.669 7.296 ( 0.000 6.402 1.865) 6.669 7.554 ( 0.000 10.232 -2.210) 10.468 7.554 ( 0.000 10.232 2.210) 10.468 7.607 ( 0.000 11.305 -2.052) 11.490 7.607 ( 0.000 11.305 2.052) 11.490 7.992 ( 0.000 -4.318 -5.903) 7.314 7.992 ( 0.000 -4.318 5.903) 7.314 8.246 ( 0.000 0.789 -1.265) 1.491 8.246 ( 0.000 0.789 1.265) 1.491 8.351 ( 0.000 1.072 -5.942) 6.038 8.351 ( 0.000 1.072 5.942) 6.038 9.170 ( 0.000 -11.009 -0.601) 11.025 9.170 ( 0.000 -11.009 0.601) 11.025 9.335 ( 0.000 0.284 -2.080) 2.099 9.335 ( 0.000 0.284 2.080) 2.099 9.606 ( 0.000 -1.034 -3.255) 3.415 9.606 ( 0.000 -1.034 3.255) 3.415 9.807 ( 0.000 -4.771 -1.437) 4.983 9.807 ( 0.000 -4.771 1.437) 4.983 10.190 ( 0.000 1.182 -4.317) 4.476 10.190 ( 0.000 1.182 4.317) 4.476 10.635 ( 0.000 2.962 -1.644) 3.388 10.635 ( 0.000 2.962 1.644) 3.388 11.249 ( 0.000 -9.837 -9.281) 13.524 11.249 ( 0.000 -9.837 9.281) 13.524 12.645 ( 0.000 4.101 -0.455) 4.126 12.645 ( 0.000 4.101 0.455) 4.126 12.939 ( 0.000 -1.397 -2.856) 3.180 12.939 ( 0.000 -1.397 2.856) 3.180 ======================= Grid point 162 (56/60) ======================= q-point: ( 0.25 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 3.552 7.523 -5.310) 9.869 1.237 ( 3.552 7.523 5.310) 9.869 1.323 ( 1.213 1.570 -4.177) 4.624 1.323 ( 1.213 1.570 4.177) 4.624 1.516 ( 0.540 5.435 -5.220) 7.556 1.516 ( 0.540 5.435 5.220) 7.556 1.673 ( 1.461 4.054 -0.634) 4.356 1.673 ( 1.461 4.054 0.634) 4.356 1.720 ( -2.108 11.555 -3.860) 12.364 1.720 ( -2.108 11.555 3.860) 12.364 1.983 ( -0.054 2.478 -3.181) 4.033 1.983 ( -0.054 2.478 3.181) 4.033 2.270 ( 3.060 1.410 -2.464) 4.174 2.270 ( 3.060 1.410 2.464) 4.174 2.528 ( 0.093 4.039 -3.828) 5.565 2.528 ( 0.093 4.039 3.828) 5.565 2.678 ( -6.252 -0.551 -0.879) 6.337 2.678 ( -6.252 -0.551 0.879) 6.337 2.806 ( -0.029 0.744 -3.428) 3.508 2.806 ( -0.029 0.744 3.428) 3.508 2.858 ( -1.507 -1.520 -2.558) 3.336 2.858 ( -1.507 -1.520 2.558) 3.336 2.969 ( -2.188 -0.129 -3.332) 3.988 2.969 ( -2.188 -0.129 3.332) 3.988 3.181 ( 1.484 -0.232 -2.282) 2.731 3.181 ( 1.484 -0.232 2.282) 2.731 3.295 ( 0.170 0.458 -1.046) 1.155 3.295 ( 0.170 0.458 1.046) 1.155 3.379 ( 0.066 -0.709 -1.218) 1.410 3.379 ( 0.066 -0.709 1.218) 1.410 3.577 ( 1.039 4.145 -0.185) 4.277 3.577 ( 1.039 4.145 0.185) 4.277 3.748 ( 0.791 1.495 -1.862) 2.516 3.748 ( 0.791 1.495 1.862) 2.516 3.844 ( -0.780 -1.589 -2.619) 3.161 3.844 ( -0.780 -1.589 2.619) 3.161 4.075 ( 1.270 -4.983 -2.986) 5.946 4.075 ( 1.270 -4.983 2.986) 5.946 4.143 ( -0.582 0.229 -1.510) 1.635 4.143 ( -0.582 0.229 1.510) 1.635 4.260 ( 2.369 -1.974 -2.040) 3.697 4.260 ( 2.369 -1.974 2.040) 3.697 4.383 ( 1.381 1.178 -2.475) 3.070 4.383 ( 1.381 1.178 2.475) 3.070 4.614 ( -3.196 0.652 -0.530) 3.304 4.614 ( -3.196 0.652 0.530) 3.304 4.705 ( -1.024 -6.938 -2.491) 7.442 4.705 ( -1.024 -6.938 2.491) 7.442 4.877 ( -2.079 -3.154 -0.778) 3.857 4.877 ( -2.079 -3.154 0.778) 3.857 4.952 ( -0.788 -5.227 -0.233) 5.292 4.952 ( -0.788 -5.227 0.233) 5.292 5.161 ( 3.927 2.099 -0.654) 4.500 5.161 ( 3.927 2.099 0.654) 4.500 5.243 ( 0.903 -3.285 -2.267) 4.092 5.243 ( 0.903 -3.285 2.267) 4.092 5.373 ( -0.775 2.117 -2.024) 3.030 5.373 ( -0.775 2.117 2.024) 3.030 5.645 ( 0.519 -6.569 -1.477) 6.753 5.645 ( 0.519 -6.569 1.477) 6.753 6.029 ( 2.613 2.630 -2.283) 4.354 6.029 ( 2.613 2.630 2.283) 4.354 6.228 ( -3.110 2.803 -1.624) 4.491 6.228 ( -3.110 2.803 1.624) 4.491 7.063 ( 0.509 33.115 -0.407) 33.121 7.063 ( 0.509 33.115 0.407) 33.121 7.324 ( 2.164 5.071 -1.742) 5.782 7.324 ( 2.164 5.071 1.742) 5.782 7.514 ( -2.448 9.444 -1.226) 9.833 7.514 ( -2.448 9.444 1.226) 9.833 7.660 ( 3.618 12.840 -0.945) 13.373 7.660 ( 3.618 12.840 0.945) 13.373 7.958 ( -3.014 -4.207 -5.621) 7.641 7.958 ( -3.014 -4.207 5.621) 7.641 8.256 ( 1.035 1.212 -1.803) 2.406 8.256 ( 1.035 1.212 1.803) 2.406 8.342 ( -0.918 -0.087 -4.549) 4.641 8.342 ( -0.918 -0.087 4.549) 4.641 9.205 ( 2.813 -11.864 -1.779) 12.323 9.205 ( 2.813 -11.864 1.779) 12.323 9.298 ( -2.091 0.828 -0.834) 2.398 9.298 ( -2.091 0.828 0.834) 2.398 9.521 ( -6.133 -1.442 -3.887) 7.403 9.521 ( -6.133 -1.442 3.887) 7.403 9.883 ( 4.839 -2.228 -1.672) 5.584 9.883 ( 4.839 -2.228 1.672) 5.584 10.191 ( -0.085 -0.453 -3.778) 3.807 10.191 ( -0.085 -0.453 3.778) 3.807 10.675 ( 3.233 2.285 -2.104) 4.483 10.675 ( 3.233 2.285 2.104) 4.483 11.189 ( -4.650 -9.495 -7.192) 12.787 11.189 ( -4.650 -9.495 7.192) 12.787 12.648 ( 0.251 4.330 -0.439) 4.359 12.648 ( 0.251 4.330 0.439) 4.359 12.948 ( 0.593 -1.434 -1.966) 2.505 12.948 ( 0.593 -1.434 1.966) 2.505 ======================= Grid point 164 (57/60) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -0.000 8.122 -0.000) 8.122 1.308 ( 0.000 8.122 0.000) 8.122 1.312 ( 0.000 0.704 -0.000) 0.704 1.312 ( 0.000 0.704 0.000) 0.704 1.546 ( 0.000 2.804 -0.000) 2.804 1.546 ( 0.000 2.803 0.000) 2.803 1.638 ( -0.000 15.617 -0.000) 15.617 1.638 ( 0.000 15.617 -0.000) 15.617 1.738 ( -0.000 4.162 0.000) 4.162 1.738 ( 0.000 4.162 0.000) 4.162 1.979 ( 0.000 1.575 -0.000) 1.575 1.979 ( 0.000 1.575 -0.000) 1.575 2.310 ( -0.000 1.828 -0.000) 1.828 2.310 ( 0.000 1.828 -0.000) 1.828 2.558 ( -0.000 4.731 0.000) 4.731 2.558 ( 0.000 4.731 0.000) 4.731 2.562 ( -0.000 -2.229 -0.000) 2.229 2.562 ( 0.000 -2.229 -0.000) 2.229 2.810 ( 0.000 -2.221 -0.000) 2.221 2.810 ( 0.000 -2.221 -0.000) 2.221 2.830 ( 0.000 2.296 0.000) 2.296 2.830 ( -0.000 2.296 0.000) 2.296 2.950 ( -0.000 -0.744 -0.000) 0.744 2.950 ( 0.000 -0.744 0.000) 0.744 3.203 ( 0.000 1.871 0.000) 1.871 3.203 ( -0.000 1.871 0.000) 1.871 3.288 ( -0.000 -2.070 0.000) 2.070 3.288 ( 0.000 -2.070 0.000) 2.070 3.375 ( 0.000 -0.365 0.000) 0.365 3.375 ( 0.000 -0.365 0.000) 0.365 3.591 ( 0.000 5.238 0.000) 5.238 3.591 ( 0.000 5.238 0.000) 5.238 3.762 ( 0.000 2.382 0.000) 2.382 3.762 ( 0.000 2.382 0.000) 2.382 3.835 ( -0.000 -2.965 -0.000) 2.965 3.835 ( 0.000 -2.965 0.000) 2.965 4.088 ( -0.000 -5.448 0.000) 5.448 4.088 ( 0.000 -5.448 0.000) 5.448 4.136 ( 0.000 -0.206 0.000) 0.206 4.136 ( 0.000 -0.206 0.000) 0.206 4.317 ( -0.000 -2.524 0.000) 2.524 4.317 ( 0.000 -2.524 -0.000) 2.524 4.372 ( -0.000 1.695 0.000) 1.695 4.372 ( 0.000 1.695 0.000) 1.695 4.587 ( -0.000 2.256 0.000) 2.256 4.587 ( 0.000 2.256 0.000) 2.256 4.684 ( 0.000 -7.878 0.000) 7.878 4.684 ( 0.000 -7.878 0.000) 7.878 4.853 ( 0.000 -3.202 0.000) 3.202 4.853 ( 0.000 -3.202 0.000) 3.202 4.939 ( 0.000 -6.656 0.000) 6.656 4.939 ( 0.000 -6.656 0.000) 6.656 5.201 ( -0.000 0.218 -0.000) 0.218 5.201 ( -0.000 0.218 0.000) 0.218 5.267 ( 0.000 -2.095 0.000) 2.095 5.267 ( 0.000 -2.095 0.000) 2.095 5.363 ( -0.000 2.966 0.000) 2.966 5.363 ( 0.000 2.966 0.000) 2.966 5.648 ( -0.000 -5.472 0.000) 5.472 5.648 ( 0.000 -5.472 0.000) 5.472 6.086 ( -0.000 2.982 0.000) 2.982 6.086 ( 0.000 2.982 0.000) 2.982 6.166 ( -0.000 3.050 0.000) 3.050 6.166 ( 0.000 3.050 0.000) 3.050 7.069 ( -0.000 33.716 0.000) 33.716 7.069 ( 0.000 33.716 0.000) 33.716 7.359 ( 0.000 2.647 0.000) 2.647 7.359 ( -0.000 2.647 0.000) 2.647 7.477 ( 0.000 10.071 0.000) 10.071 7.477 ( 0.000 10.071 0.000) 10.071 7.719 ( -0.000 15.830 0.000) 15.830 7.719 ( 0.000 15.830 0.000) 15.830 7.903 ( 0.000 -5.613 0.000) 5.613 7.903 ( -0.000 -5.613 0.000) 5.613 8.278 ( 0.000 2.414 -0.000) 2.414 8.278 ( 0.000 2.414 0.000) 2.414 8.322 ( 0.000 -2.394 0.000) 2.394 8.322 ( -0.000 -2.394 0.000) 2.394 9.235 ( 0.000 -12.327 0.000) 12.327 9.235 ( 0.000 -12.327 0.000) 12.327 9.306 ( -0.000 0.706 0.000) 0.706 9.306 ( 0.000 0.706 0.000) 0.706 9.414 ( 0.000 -0.710 0.000) 0.710 9.414 ( 0.000 -0.710 0.000) 0.710 9.947 ( 0.000 -0.336 0.000) 0.336 9.947 ( 0.000 -0.336 -0.000) 0.336 10.187 ( -0.000 -2.094 0.000) 2.094 10.187 ( 0.000 -2.094 0.000) 2.094 10.728 ( -0.000 1.429 0.000) 1.429 10.728 ( -0.000 1.429 0.000) 1.429 11.117 ( 0.000 -9.136 0.000) 9.136 11.117 ( 0.000 -9.136 0.000) 9.136 12.652 ( -0.000 4.542 -0.000) 4.542 12.652 ( 0.000 4.542 0.000) 4.542 12.956 ( 0.000 -1.458 0.000) 1.458 12.956 ( 0.000 -1.458 0.000) 1.458 ======================= Grid point 170 (58/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 0.000 0.476 -1.124) 1.220 1.311 ( 0.000 0.476 1.124) 1.220 1.354 ( 0.000 5.211 -0.381) 5.225 1.354 ( 0.000 5.211 0.381) 5.225 1.527 ( 0.000 1.522 -1.784) 2.345 1.527 ( 0.000 1.522 1.784) 2.345 1.745 ( 0.000 3.261 -0.585) 3.313 1.745 ( 0.000 3.261 0.585) 3.313 1.875 ( 0.000 -7.317 -0.609) 7.342 1.875 ( 0.000 -7.317 0.609) 7.342 1.937 ( 0.000 5.530 -1.683) 5.780 1.937 ( 0.000 5.530 1.683) 5.780 2.359 ( 0.000 5.802 -0.971) 5.883 2.359 ( 0.000 5.802 0.971) 5.883 2.653 ( 0.000 7.776 -4.288) 8.880 2.653 ( 0.000 7.776 4.288) 8.880 2.750 ( 0.000 -0.834 -0.776) 1.139 2.750 ( 0.000 -0.834 0.776) 1.139 2.780 ( 0.000 -4.207 -3.777) 5.654 2.780 ( 0.000 -4.207 3.777) 5.654 2.813 ( 0.000 -1.781 -0.826) 1.963 2.813 ( 0.000 -1.781 0.826) 1.963 2.985 ( 0.000 -3.322 -2.996) 4.473 2.985 ( 0.000 -3.322 2.996) 4.473 3.173 ( 0.000 2.749 -1.240) 3.016 3.173 ( 0.000 2.749 1.240) 3.016 3.311 ( 0.000 -0.888 -1.542) 1.779 3.311 ( 0.000 -0.888 1.542) 1.779 3.409 ( 0.000 6.067 -1.304) 6.206 3.409 ( 0.000 6.067 1.304) 6.206 3.540 ( 0.000 -5.324 -2.089) 5.719 3.540 ( 0.000 -5.324 2.089) 5.719 3.746 ( 0.000 0.056 -0.017) 0.058 3.746 ( 0.000 0.056 0.017) 0.058 3.863 ( 0.000 -0.050 -0.844) 0.845 3.863 ( 0.000 -0.050 0.844) 0.845 4.017 ( 0.000 1.003 -2.512) 2.705 4.017 ( 0.000 1.003 2.512) 2.705 4.152 ( 0.000 -1.548 -2.268) 2.746 4.152 ( 0.000 -1.548 2.268) 2.746 4.232 ( 0.000 1.911 -0.577) 1.996 4.232 ( 0.000 1.911 0.577) 1.996 4.399 ( 0.000 3.448 -1.348) 3.703 4.399 ( 0.000 3.448 1.348) 3.703 4.558 ( 0.000 -6.436 -2.871) 7.047 4.558 ( 0.000 -6.436 2.871) 7.047 4.668 ( 0.000 -1.741 -0.308) 1.768 4.668 ( 0.000 -1.741 0.308) 1.768 4.859 ( 0.000 -1.477 -0.086) 1.480 4.859 ( 0.000 -1.477 0.086) 1.480 4.903 ( 0.000 -2.047 -1.199) 2.372 4.903 ( 0.000 -2.047 1.199) 2.373 5.164 ( 0.000 -0.036 -0.889) 0.889 5.164 ( 0.000 -0.036 0.889) 0.889 5.186 ( 0.000 3.663 -0.581) 3.709 5.186 ( 0.000 3.663 0.581) 3.709 5.358 ( 0.000 -5.346 -2.600) 5.945 5.358 ( 0.000 -5.346 2.600) 5.945 5.529 ( 0.000 -1.507 -2.271) 2.725 5.529 ( 0.000 -1.507 2.271) 2.725 6.034 ( 0.000 0.916 -0.297) 0.963 6.034 ( 0.000 0.916 0.297) 0.963 6.282 ( 0.000 0.061 -0.103) 0.120 6.282 ( 0.000 0.061 0.103) 0.120 7.315 ( 0.000 2.234 -0.252) 2.248 7.315 ( 0.000 2.234 0.252) 2.248 7.522 ( 0.000 4.223 -0.628) 4.270 7.522 ( 0.000 4.223 0.628) 4.270 7.710 ( 0.000 11.438 -0.802) 11.466 7.710 ( 0.000 11.438 0.802) 11.466 7.842 ( 0.000 4.956 -4.369) 6.607 7.842 ( 0.000 4.956 4.369) 6.607 7.987 ( 0.000 1.190 -9.877) 9.948 7.987 ( 0.000 1.190 9.877) 9.948 8.317 ( 0.000 4.866 -1.208) 5.013 8.317 ( 0.000 4.866 1.208) 5.013 8.432 ( 0.000 13.567 -4.801) 14.391 8.432 ( 0.000 13.567 4.801) 14.391 8.841 ( 0.000 -21.750 -0.851) 21.766 8.841 ( 0.000 -21.750 0.851) 21.766 9.381 ( 0.000 3.118 -2.237) 3.837 9.381 ( 0.000 3.118 2.237) 3.837 9.515 ( 0.000 -5.539 -2.591) 6.115 9.515 ( 0.000 -5.539 2.591) 6.115 9.780 ( 0.000 0.217 -0.842) 0.870 9.780 ( 0.000 0.217 0.842) 0.870 10.199 ( 0.000 -0.024 -1.503) 1.503 10.199 ( 0.000 -0.024 1.503) 1.503 10.708 ( 0.000 3.600 -0.376) 3.620 10.708 ( 0.000 3.600 0.376) 3.620 11.080 ( 0.000 -6.289 -3.664) 7.278 11.080 ( 0.000 -6.289 3.664) 7.278 12.751 ( 0.000 6.552 -1.306) 6.681 12.751 ( 0.000 6.552 1.306) 6.681 12.876 ( 0.000 -5.180 -2.223) 5.637 12.876 ( 0.000 -5.180 2.223) 5.637 ======================= Grid point 172 (59/60) ======================= q-point: ( 0.25 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 1.335 2.289 -0.634) 2.725 1.333 ( 1.335 2.289 0.634) 2.725 1.380 ( 2.182 1.367 -1.545) 3.003 1.380 ( 2.182 1.367 1.545) 3.003 1.560 ( 2.449 4.787 -1.224) 5.515 1.560 ( 2.449 4.787 1.225) 5.515 1.773 ( 2.073 3.052 -2.240) 4.316 1.773 ( 2.073 3.052 2.240) 4.316 1.865 ( -0.512 -6.180 -1.159) 6.308 1.865 ( -0.512 -6.180 1.159) 6.308 1.936 ( -0.319 4.890 -1.335) 5.079 1.936 ( -0.319 4.890 1.335) 5.079 2.365 ( 0.618 4.300 -2.507) 5.016 2.365 ( 0.618 4.300 2.507) 5.016 2.605 ( -6.820 0.146 -1.975) 7.101 2.605 ( -6.820 0.146 1.975) 7.101 2.700 ( 0.269 5.752 -5.801) 8.174 2.700 ( 0.269 5.752 5.801) 8.174 2.798 ( -0.839 -1.864 -0.999) 2.276 2.798 ( -0.839 -1.864 0.999) 2.276 2.804 ( 0.838 -2.122 -3.206) 3.935 2.804 ( 0.838 -2.122 3.206) 3.935 2.933 ( -2.874 -3.310 -3.268) 5.467 2.933 ( -2.874 -3.310 3.268) 5.467 3.210 ( 2.048 1.915 -2.325) 3.642 3.210 ( 2.048 1.915 2.325) 3.642 3.299 ( -1.298 -0.649 -0.913) 1.714 3.299 ( -1.298 -0.649 0.913) 1.714 3.425 ( 0.664 6.296 -1.140) 6.433 3.425 ( 0.664 6.296 1.140) 6.433 3.563 ( 1.794 -5.830 -2.007) 6.421 3.563 ( 1.794 -5.830 2.007) 6.421 3.759 ( 1.433 0.370 -0.969) 1.769 3.759 ( 1.433 0.370 0.969) 1.769 3.846 ( -1.356 0.601 -1.292) 1.967 3.846 ( -1.356 0.601 1.292) 1.967 4.025 ( 0.577 0.371 -2.122) 2.230 4.025 ( 0.577 0.371 2.122) 2.230 4.114 ( -1.992 -2.698 -1.997) 3.903 4.114 ( -1.992 -2.698 1.997) 3.903 4.281 ( 3.067 3.305 -0.270) 4.517 4.281 ( 3.067 3.305 0.270) 4.517 4.416 ( 0.484 0.656 -0.443) 0.928 4.416 ( 0.484 0.656 0.443) 0.928 4.561 ( 0.737 -2.404 -2.474) 3.528 4.561 ( 0.737 -2.404 2.474) 3.528 4.651 ( -1.050 -1.553 -0.995) 2.123 4.651 ( -1.050 -1.553 0.996) 2.123 4.812 ( -2.999 -1.813 -0.607) 3.557 4.812 ( -2.999 -1.813 0.607) 3.557 4.858 ( -3.412 -3.828 -0.930) 5.212 4.858 ( -3.412 -3.828 0.930) 5.212 5.177 ( 0.883 -1.486 -0.419) 1.779 5.177 ( 0.883 -1.486 0.419) 1.779 5.211 ( 0.923 1.223 -1.032) 1.847 5.211 ( 0.923 1.223 1.032) 1.847 5.389 ( 3.026 -0.055 -1.932) 3.591 5.389 ( 3.026 -0.055 1.932) 3.591 5.550 ( 0.868 -2.714 -1.997) 3.479 5.550 ( 0.868 -2.714 1.997) 3.479 6.063 ( 2.867 0.946 -0.849) 3.136 6.063 ( 2.867 0.946 0.849) 3.136 6.249 ( -2.952 0.149 -0.743) 3.047 6.249 ( -2.952 0.149 0.743) 3.047 7.342 ( 2.365 2.140 -0.294) 3.203 7.342 ( 2.365 2.140 0.294) 3.203 7.490 ( -2.836 3.307 -0.626) 4.401 7.490 ( -2.836 3.307 0.626) 4.401 7.712 ( 0.191 12.178 -0.389) 12.186 7.712 ( 0.191 12.178 0.389) 12.186 7.843 ( -0.220 0.703 -1.781) 1.927 7.843 ( -0.220 0.703 1.781) 1.927 8.023 ( 3.572 6.983 -6.447) 10.153 8.023 ( 3.572 6.983 6.447) 10.153 8.301 ( -1.966 1.741 -1.519) 3.034 8.301 ( -1.966 1.741 1.519) 3.034 8.426 ( -0.334 15.913 -3.363) 16.268 8.426 ( -0.334 15.913 3.363) 16.268 8.861 ( 1.329 -22.497 -1.821) 22.609 8.861 ( 1.329 -22.497 1.821) 22.609 9.330 ( -2.357 1.271 -0.793) 2.793 9.330 ( -2.357 1.271 0.793) 2.793 9.456 ( -4.438 -3.338 -1.582) 5.774 9.456 ( -4.438 -3.338 1.582) 5.774 9.887 ( 7.294 1.220 -1.114) 7.479 9.887 ( 7.294 1.220 1.114) 7.479 10.171 ( -2.552 -1.150 -1.624) 3.237 10.171 ( -2.552 -1.150 1.624) 3.237 10.741 ( 2.802 3.694 -0.738) 4.695 10.741 ( 2.802 3.694 0.738) 4.695 11.020 ( -4.751 -6.648 -2.965) 8.692 11.020 ( -4.751 -6.648 2.965) 8.692 12.759 ( 0.514 6.748 -0.944) 6.833 12.759 ( 0.514 6.748 0.944) 6.833 12.883 ( 0.526 -5.297 -1.559) 5.546 12.883 ( 0.526 -5.297 1.559) 5.546 ======================= Grid point 174 (60/60) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( -0.000 3.184 0.000) 3.184 1.350 ( 0.000 3.184 0.000) 3.184 1.412 ( -0.000 -1.269 0.000) 1.269 1.412 ( 0.000 -1.269 0.000) 1.269 1.596 ( 0.000 9.128 0.000) 9.128 1.596 ( 0.000 9.128 0.000) 9.128 1.795 ( -0.000 -5.576 -0.000) 5.576 1.795 ( 0.000 -5.576 0.000) 5.576 1.880 ( -0.000 6.346 0.000) 6.346 1.880 ( 0.000 6.346 0.000) 6.346 1.917 ( -0.000 0.035 0.000) 0.035 1.917 ( -0.000 0.035 0.000) 0.035 2.384 ( -0.000 4.925 -0.000) 4.925 2.384 ( 0.000 4.925 -0.000) 4.925 2.488 ( -0.000 -5.256 0.000) 5.256 2.488 ( 0.000 -5.256 0.000) 5.256 2.722 ( -0.000 9.920 -0.000) 9.920 2.722 ( 0.000 9.920 -0.000) 9.920 2.780 ( 0.000 -0.365 0.000) 0.365 2.780 ( 0.000 -0.365 0.000) 0.365 2.818 ( 0.000 -1.858 0.000) 1.858 2.818 ( -0.000 -1.858 0.000) 1.858 2.896 ( 0.000 -5.582 -0.000) 5.582 2.896 ( 0.000 -5.582 0.000) 5.582 3.252 ( -0.000 1.259 -0.000) 1.259 3.252 ( 0.000 1.259 -0.000) 1.259 3.260 ( -0.000 -0.610 0.000) 0.610 3.260 ( 0.000 -0.610 0.000) 0.610 3.431 ( -0.000 7.093 -0.000) 7.093 3.431 ( 0.000 7.093 -0.000) 7.093 3.585 ( 0.000 -6.406 0.000) 6.406 3.585 ( 0.000 -6.406 0.000) 6.406 3.800 ( -0.000 1.472 -0.000) 1.472 3.800 ( 0.000 1.472 0.000) 1.472 3.812 ( -0.000 0.186 0.000) 0.186 3.812 ( 0.000 0.186 0.000) 0.186 4.034 ( -0.000 0.579 -0.000) 0.579 4.034 ( 0.000 0.579 0.000) 0.579 4.089 ( 0.000 -3.936 0.000) 3.936 4.089 ( -0.000 -3.936 0.000) 3.936 4.332 ( 0.000 3.646 0.000) 3.646 4.332 ( 0.000 3.646 0.000) 3.646 4.399 ( -0.000 -1.075 0.000) 1.075 4.399 ( 0.000 -1.075 0.000) 1.075 4.594 ( -0.000 0.548 0.000) 0.548 4.594 ( 0.000 0.549 0.000) 0.549 4.629 ( 0.000 0.989 -0.000) 0.989 4.629 ( -0.000 0.989 0.000) 0.989 4.783 ( -0.000 -3.348 0.000) 3.348 4.783 ( 0.000 -3.348 0.000) 3.348 4.797 ( -0.000 -6.367 -0.000) 6.367 4.797 ( 0.000 -6.367 -0.000) 6.367 5.195 ( 0.000 -0.385 0.000) 0.385 5.195 ( 0.000 -0.385 0.000) 0.385 5.210 ( -0.000 -2.313 0.000) 2.313 5.210 ( 0.000 -2.313 0.000) 2.313 5.445 ( -0.000 5.272 0.000) 5.272 5.445 ( 0.000 5.272 0.000) 5.272 5.548 ( -0.000 -5.234 0.000) 5.234 5.548 ( 0.000 -5.234 0.000) 5.234 6.138 ( -0.000 2.425 0.000) 2.425 6.138 ( 0.000 2.425 0.000) 2.425 6.175 ( -0.000 -1.181 0.000) 1.181 6.175 ( 0.000 -1.181 0.000) 1.181 7.408 ( -0.000 2.020 0.000) 2.020 7.408 ( 0.000 2.020 0.000) 2.020 7.416 ( -0.000 2.568 0.000) 2.568 7.416 ( 0.000 2.568 0.000) 2.568 7.715 ( -0.000 12.875 0.000) 12.875 7.715 ( 0.000 12.875 0.000) 12.875 7.838 ( 0.000 -2.490 -0.000) 2.490 7.838 ( 0.000 -2.490 0.000) 2.490 8.094 ( 0.000 15.811 0.000) 15.811 8.094 ( -0.000 15.811 0.000) 15.811 8.252 ( -0.000 -4.803 -0.000) 4.803 8.252 ( 0.000 -4.803 0.000) 4.803 8.423 ( 0.000 17.524 0.000) 17.524 8.423 ( -0.000 17.524 0.000) 17.524 8.877 ( -0.000 -23.467 0.000) 23.467 8.877 ( 0.000 -23.467 0.000) 23.467 9.335 ( -0.000 1.114 0.000) 1.114 9.335 ( 0.000 1.114 0.000) 1.114 9.368 ( -0.000 -2.710 0.000) 2.710 9.368 ( 0.000 -2.710 0.000) 2.710 10.003 ( -0.000 5.346 -0.000) 5.346 10.003 ( 0.000 5.346 0.000) 5.346 10.113 ( -0.000 -5.343 0.000) 5.343 10.113 ( 0.000 -5.343 0.000) 5.343 10.795 ( -0.000 5.701 0.000) 5.701 10.795 ( 0.000 5.701 0.000) 5.701 10.939 ( -0.000 -8.923 0.000) 8.923 10.939 ( 0.000 -8.923 0.000) 8.923 12.766 ( -0.000 6.922 -0.000) 6.922 12.766 ( 0.000 6.922 0.000) 6.922 12.890 ( 0.000 -5.392 0.000) 5.392 12.890 ( 0.000 -5.392 0.000) 5.392 =================== 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 3/21504 10.0 151.402 304.439 213.753 0.000 0.000 -0.000 3/21504 20.0 22.072 50.564 30.942 0.000 0.000 -0.000 3/21504 30.0 7.257 16.771 10.263 0.000 0.000 -0.000 3/21504 40.0 3.609 8.431 5.149 0.000 0.000 -0.000 3/21504 50.0 2.250 5.311 3.240 0.000 0.000 -0.000 3/21504 60.0 1.602 3.818 2.323 0.000 0.000 -0.000 3/21504 70.0 1.239 2.982 1.805 0.000 0.000 -0.000 3/21504 80.0 1.012 2.459 1.477 0.000 0.000 -0.000 3/21504 90.0 0.858 2.105 1.253 0.000 0.000 -0.000 3/21504 100.0 0.748 1.849 1.091 0.000 0.000 -0.000 3/21504 110.0 0.666 1.656 0.968 0.000 0.000 -0.000 3/21504 120.0 0.601 1.503 0.871 0.000 0.000 -0.000 3/21504 130.0 0.550 1.380 0.793 0.000 0.000 -0.000 3/21504 140.0 0.507 1.277 0.729 0.000 0.000 -0.000 3/21504 150.0 0.471 1.190 0.675 0.000 0.000 -0.000 3/21504 160.0 0.440 1.115 0.629 0.000 0.000 -0.000 3/21504 170.0 0.414 1.049 0.589 0.000 0.000 -0.000 3/21504 180.0 0.391 0.992 0.554 0.000 0.000 -0.000 3/21504 190.0 0.370 0.940 0.523 0.000 0.000 -0.000 3/21504 200.0 0.352 0.894 0.496 0.000 0.000 -0.000 3/21504 210.0 0.335 0.852 0.471 0.000 0.000 -0.000 3/21504 220.0 0.320 0.814 0.449 0.000 0.000 -0.000 3/21504 230.0 0.306 0.780 0.429 0.000 0.000 -0.000 3/21504 240.0 0.294 0.748 0.410 0.000 0.000 -0.000 3/21504 250.0 0.282 0.719 0.394 0.000 0.000 -0.000 3/21504 260.0 0.272 0.692 0.378 0.000 0.000 -0.000 3/21504 270.0 0.262 0.667 0.364 0.000 0.000 -0.000 3/21504 280.0 0.253 0.644 0.351 0.000 0.000 -0.000 3/21504 290.0 0.244 0.622 0.338 0.000 0.000 -0.000 3/21504 300.0 0.236 0.602 0.327 0.000 0.000 -0.000 3/21504 310.0 0.229 0.583 0.316 0.000 0.000 -0.000 3/21504 320.0 0.222 0.565 0.306 0.000 0.000 -0.000 3/21504 330.0 0.215 0.548 0.297 0.000 0.000 -0.000 3/21504 340.0 0.209 0.532 0.288 0.000 0.000 -0.000 3/21504 350.0 0.203 0.517 0.280 0.000 0.000 -0.000 3/21504 360.0 0.197 0.503 0.272 0.000 0.000 -0.000 3/21504 370.0 0.192 0.490 0.264 0.000 0.000 -0.000 3/21504 380.0 0.187 0.477 0.257 0.000 0.000 -0.000 3/21504 390.0 0.183 0.465 0.251 0.000 0.000 -0.000 3/21504 400.0 0.178 0.454 0.244 0.000 0.000 -0.000 3/21504 410.0 0.174 0.443 0.239 0.000 0.000 -0.000 3/21504 420.0 0.170 0.432 0.233 0.000 0.000 -0.000 3/21504 430.0 0.166 0.423 0.227 0.000 0.000 -0.000 3/21504 440.0 0.162 0.413 0.222 0.000 0.000 -0.000 3/21504 450.0 0.159 0.404 0.217 0.000 0.000 -0.000 3/21504 460.0 0.155 0.395 0.212 0.000 0.000 -0.000 3/21504 470.0 0.152 0.387 0.208 0.000 0.000 -0.000 3/21504 480.0 0.149 0.379 0.204 0.000 0.000 -0.000 3/21504 490.0 0.146 0.371 0.199 0.000 0.000 -0.000 3/21504 500.0 0.143 0.364 0.195 0.000 0.000 -0.000 3/21504 510.0 0.140 0.357 0.192 0.000 0.000 -0.000 3/21504 520.0 0.137 0.350 0.188 0.000 0.000 -0.000 3/21504 530.0 0.135 0.344 0.184 0.000 0.000 -0.000 3/21504 540.0 0.132 0.337 0.181 0.000 0.000 -0.000 3/21504 550.0 0.130 0.331 0.178 0.000 0.000 -0.000 3/21504 560.0 0.128 0.325 0.174 0.000 0.000 -0.000 3/21504 570.0 0.126 0.320 0.171 0.000 0.000 -0.000 3/21504 580.0 0.123 0.314 0.168 0.000 0.000 -0.000 3/21504 590.0 0.121 0.309 0.166 0.000 0.000 -0.000 3/21504 600.0 0.119 0.304 0.163 0.000 0.000 -0.000 3/21504 610.0 0.117 0.299 0.160 0.000 0.000 -0.000 3/21504 620.0 0.116 0.294 0.158 0.000 0.000 -0.000 3/21504 630.0 0.114 0.290 0.155 0.000 0.000 -0.000 3/21504 640.0 0.112 0.285 0.153 0.000 0.000 -0.000 3/21504 650.0 0.110 0.281 0.150 0.000 0.000 -0.000 3/21504 660.0 0.109 0.277 0.148 0.000 0.000 -0.000 3/21504 670.0 0.107 0.272 0.146 0.000 0.000 -0.000 3/21504 680.0 0.105 0.268 0.144 0.000 0.000 -0.000 3/21504 690.0 0.104 0.265 0.142 0.000 0.000 -0.000 3/21504 700.0 0.102 0.261 0.139 0.000 0.000 -0.000 3/21504 710.0 0.101 0.257 0.138 0.000 0.000 -0.000 3/21504 720.0 0.100 0.254 0.136 0.000 0.000 -0.000 3/21504 730.0 0.098 0.250 0.134 0.000 0.000 -0.000 3/21504 740.0 0.097 0.247 0.132 0.000 0.000 -0.000 3/21504 750.0 0.096 0.244 0.130 0.000 0.000 -0.000 3/21504 760.0 0.094 0.240 0.128 0.000 0.000 -0.000 3/21504 770.0 0.093 0.237 0.127 0.000 0.000 -0.000 3/21504 780.0 0.092 0.234 0.125 0.000 0.000 -0.000 3/21504 790.0 0.091 0.231 0.124 0.000 0.000 -0.000 3/21504 800.0 0.090 0.228 0.122 0.000 0.000 -0.000 3/21504 810.0 0.089 0.226 0.121 0.000 0.000 -0.000 3/21504 820.0 0.088 0.223 0.119 0.000 0.000 -0.000 3/21504 830.0 0.086 0.220 0.118 0.000 0.000 -0.000 3/21504 840.0 0.085 0.218 0.116 0.000 0.000 -0.000 3/21504 850.0 0.084 0.215 0.115 0.000 0.000 -0.000 3/21504 860.0 0.083 0.213 0.114 0.000 0.000 -0.000 3/21504 870.0 0.083 0.210 0.112 0.000 0.000 -0.000 3/21504 880.0 0.082 0.208 0.111 0.000 0.000 -0.000 3/21504 890.0 0.081 0.205 0.110 0.000 0.000 -0.000 3/21504 900.0 0.080 0.203 0.108 0.000 0.000 -0.000 3/21504 910.0 0.079 0.201 0.107 0.000 0.000 -0.000 3/21504 920.0 0.078 0.199 0.106 0.000 0.000 -0.000 3/21504 930.0 0.077 0.197 0.105 0.000 0.000 -0.000 3/21504 940.0 0.076 0.194 0.104 0.000 0.000 -0.000 3/21504 950.0 0.076 0.192 0.103 0.000 0.000 -0.000 3/21504 960.0 0.075 0.190 0.102 0.000 0.000 -0.000 3/21504 970.0 0.074 0.189 0.101 0.000 0.000 -0.000 3/21504 980.0 0.073 0.187 0.100 0.000 0.000 -0.000 3/21504 990.0 0.073 0.185 0.099 0.000 0.000 -0.000 3/21504 1000.0 0.072 0.183 0.098 0.000 0.000 -0.000 3/21504 Thermal conductivity related properties were written into "kappa-m478.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:11:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|