# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/947e120c-034b-495b-b34b-6a6c933a7a32/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for K2TeS3 / P2_1/c (14) / materials id 29692](https://mdr.nims.go.jp/datasets/206aa830-d8d0-4c3b-886d-93434b7e5e0b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 08:18:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [3 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)Number of symmetry operations in supercell: 24------------------------------ primitive cell ------------------------------Lattice vectors: a 6.338151750667568 0.000000000000000 0.000000000000000 b 0.000000000000000 8.952760049999998 0.000000000000000 c -6.230798906767325 0.000000000000000 13.273591003890413Atomic positions (fractional): *1 Te 0.27632898850958 0.16956794468924 0.07700902296934 127.600 2 Te 0.72367101149042 0.66956794468923 0.42299097703066 127.600 3 Te 0.72367101149042 0.83043205531077 0.92299097703066 127.600 4 Te 0.27632898850958 0.33043205531077 0.57700902296934 127.600 *5 S 0.18215412049115 0.33475164772635 0.93879493913361 32.065 6 S 0.81784587950885 0.83475164772635 0.56120506086639 32.065 7 S 0.81784587950885 0.66524835227365 0.06120506086639 32.065 8 S 0.18215412049115 0.16524835227365 0.43879493913361 32.065 *9 S 0.46358206069673 0.33369680876168 0.21580006613137 32.065 10 S 0.53641793930327 0.83369680876168 0.28419993386863 32.065 11 S 0.53641793930327 0.66630319123832 0.78419993386863 32.065 12 S 0.46358206069673 0.16630319123832 0.71580006613137 32.065 *13 S 0.91498485572561 0.12803075363249 0.08376115211810 32.065 14 S 0.08501514427439 0.62803075363249 0.41623884788190 32.065 15 S 0.08501514427439 0.87196924636751 0.91623884788190 32.065 16 S 0.91498485572561 0.37196924636751 0.58376115211810 32.065 *17 K 0.33877296110387 0.62983106143616 0.08444610528216 39.098 18 K 0.66122703889613 0.12983106143616 0.41555389471784 39.098 19 K 0.66122703889613 0.37016893856384 0.91555389471784 39.098 20 K 0.33877296110387 0.87016893856384 0.58444610528216 39.098 *21 K 0.00379976574768 0.61556148512065 0.75367667046808 39.098 22 K 0.99620023425232 0.11556148512065 0.74632332953192 39.098 23 K 0.99620023425232 0.38443851487935 0.24632332953192 39.098 24 K 0.00379976574768 0.88443851487935 0.25367667046808 39.098-------------------------------- unit cell ---------------------------------Lattice vectors: a 6.338151750667569 0.000000000000000 0.000000000000000 b 0.000000000000000 8.952760049999998 0.000000000000000 c -6.230798906767325 0.000000000000000 13.273591003890413Atomic positions (fractional): *1 Te 0.27632898850958 0.16956794468924 0.07700902296934 127.600 > 1 2 Te 0.72367101149042 0.66956794468923 0.42299097703066 127.600 > 2 3 Te 0.72367101149042 0.83043205531077 0.92299097703066 127.600 > 3 4 Te 0.27632898850958 0.33043205531077 0.57700902296934 127.600 > 4 *5 S 0.18215412049115 0.33475164772635 0.93879493913361 32.065 > 5 6 S 0.81784587950885 0.83475164772635 0.56120506086639 32.065 > 6 7 S 0.81784587950885 0.66524835227365 0.06120506086639 32.065 > 7 8 S 0.18215412049115 0.16524835227365 0.43879493913361 32.065 > 8 *9 S 0.46358206069673 0.33369680876168 0.21580006613137 32.065 > 9 10 S 0.53641793930327 0.83369680876168 0.28419993386863 32.065 > 10 11 S 0.53641793930327 0.66630319123832 0.78419993386863 32.065 > 11 12 S 0.46358206069673 0.16630319123832 0.71580006613137 32.065 > 12 *13 S 0.91498485572561 0.12803075363249 0.08376115211810 32.065 > 13 14 S 0.08501514427439 0.62803075363249 0.41623884788190 32.065 > 14 15 S 0.08501514427439 0.87196924636751 0.91623884788190 32.065 > 15 16 S 0.91498485572561 0.37196924636751 0.58376115211810 32.065 > 16 *17 K 0.33877296110387 0.62983106143616 0.08444610528216 39.098 > 17 18 K 0.66122703889613 0.12983106143616 0.41555389471784 39.098 > 18 19 K 0.66122703889613 0.37016893856384 0.91555389471784 39.098 > 19 20 K 0.33877296110387 0.87016893856384 0.58444610528216 39.098 > 20 *21 K 0.00379976574768 0.61556148512065 0.75367667046808 39.098 > 21 22 K 0.99620023425232 0.11556148512065 0.74632332953192 39.098 > 22 23 K 0.99620023425232 0.38443851487935 0.24632332953192 39.098 > 23 24 K 0.00379976574768 0.88443851487935 0.25367667046808 39.098 > 24-------------------------------- super cell --------------------------------Lattice vectors: a 19.014455252002705 0.000000000000000 0.000000000000000 b 0.000000000000000 17.905520099999997 0.000000000000000 c -6.230798906767325 0.000000000000000 13.273591003890413Atomic positions (fractional): *1 Te 0.09210966283653 0.08478397234462 0.07700902296934 127.600 > 1 2 Te 0.42544299616986 0.08478397234462 0.07700902296934 127.600 > 1 3 Te 0.75877632950319 0.08478397234462 0.07700902296934 127.600 > 1 4 Te 0.09210966283653 0.58478397234462 0.07700902296934 127.600 > 1 5 Te 0.42544299616986 0.58478397234462 0.07700902296934 127.600 > 1 6 Te 0.75877632950319 0.58478397234462 0.07700902296934 127.600 > 1 7 Te 0.24122367049681 0.33478397234462 0.42299097703066 127.600 > 2 8 Te 0.57455700383014 0.33478397234462 0.42299097703066 127.600 > 2 9 Te 0.90789033716347 0.33478397234462 0.42299097703066 127.600 > 2 10 Te 0.24122367049681 0.83478397234462 0.42299097703066 127.600 > 2 11 Te 0.57455700383014 0.83478397234462 0.42299097703066 127.600 > 2 12 Te 0.90789033716347 0.83478397234462 0.42299097703066 127.600 > 2 13 Te 0.24122367049681 0.41521602765538 0.92299097703066 127.600 > 3 14 Te 0.57455700383014 0.41521602765538 0.92299097703066 127.600 > 3 15 Te 0.90789033716347 0.41521602765538 0.92299097703066 127.600 > 3 16 Te 0.24122367049681 0.91521602765538 0.92299097703066 127.600 > 3 17 Te 0.57455700383014 0.91521602765538 0.92299097703066 127.600 > 3 18 Te 0.90789033716347 0.91521602765538 0.92299097703066 127.600 > 3 19 Te 0.09210966283653 0.16521602765538 0.57700902296934 127.600 > 4 20 Te 0.42544299616986 0.16521602765538 0.57700902296934 127.600 > 4 21 Te 0.75877632950319 0.16521602765538 0.57700902296934 127.600 > 4 22 Te 0.09210966283653 0.66521602765538 0.57700902296934 127.600 > 4 23 Te 0.42544299616986 0.66521602765538 0.57700902296934 127.600 > 4 24 Te 0.75877632950319 0.66521602765538 0.57700902296934 127.600 > 4 *25 S 0.06071804016372 0.16737582386317 0.93879493913361 32.065 > 5 26 S 0.39405137349705 0.16737582386317 0.93879493913361 32.065 > 5 27 S 0.72738470683038 0.16737582386317 0.93879493913361 32.065 > 5 28 S 0.06071804016372 0.66737582386317 0.93879493913361 32.065 > 5 29 S 0.39405137349705 0.66737582386317 0.93879493913361 32.065 > 5 30 S 0.72738470683038 0.66737582386317 0.93879493913361 32.065 > 5 31 S 0.27261529316962 0.41737582386317 0.56120506086639 32.065 > 6 32 S 0.60594862650295 0.41737582386317 0.56120506086639 32.065 > 6 33 S 0.93928195983628 0.41737582386317 0.56120506086639 32.065 > 6 34 S 0.27261529316962 0.91737582386317 0.56120506086639 32.065 > 6 35 S 0.60594862650295 0.91737582386317 0.56120506086639 32.065 > 6 36 S 0.93928195983628 0.91737582386317 0.56120506086639 32.065 > 6 37 S 0.27261529316962 0.33262417613683 0.06120506086639 32.065 > 7 38 S 0.60594862650295 0.33262417613683 0.06120506086639 32.065 > 7 39 S 0.93928195983628 0.33262417613683 0.06120506086639 32.065 > 7 40 S 0.27261529316962 0.83262417613683 0.06120506086639 32.065 > 7 41 S 0.60594862650295 0.83262417613683 0.06120506086639 32.065 > 7 42 S 0.93928195983628 0.83262417613683 0.06120506086639 32.065 > 7 43 S 0.06071804016372 0.08262417613683 0.43879493913361 32.065 > 8 44 S 0.39405137349705 0.08262417613683 0.43879493913361 32.065 > 8 45 S 0.72738470683038 0.08262417613683 0.43879493913361 32.065 > 8 46 S 0.06071804016372 0.58262417613683 0.43879493913361 32.065 > 8 47 S 0.39405137349705 0.58262417613683 0.43879493913361 32.065 > 8 48 S 0.72738470683038 0.58262417613683 0.43879493913361 32.065 > 8 *49 S 0.15452735356558 0.16684840438084 0.21580006613137 32.065 > 9 50 S 0.48786068689891 0.16684840438084 0.21580006613137 32.065 > 9 51 S 0.82119402023224 0.16684840438084 0.21580006613137 32.065 > 9 52 S 0.15452735356558 0.66684840438084 0.21580006613137 32.065 > 9 53 S 0.48786068689891 0.66684840438084 0.21580006613137 32.065 > 9 54 S 0.82119402023224 0.66684840438084 0.21580006613137 32.065 > 9 55 S 0.17880597976776 0.41684840438084 0.28419993386863 32.065 > 10 56 S 0.51213931310109 0.41684840438084 0.28419993386863 32.065 > 10 57 S 0.84547264643442 0.41684840438084 0.28419993386863 32.065 > 10 58 S 0.17880597976776 0.91684840438084 0.28419993386863 32.065 > 10 59 S 0.51213931310109 0.91684840438084 0.28419993386863 32.065 > 10 60 S 0.84547264643442 0.91684840438084 0.28419993386863 32.065 > 10 61 S 0.17880597976776 0.33315159561916 0.78419993386863 32.065 > 11 62 S 0.51213931310109 0.33315159561916 0.78419993386863 32.065 > 11 63 S 0.84547264643442 0.33315159561916 0.78419993386863 32.065 > 11 64 S 0.17880597976776 0.83315159561916 0.78419993386863 32.065 > 11 65 S 0.51213931310109 0.83315159561916 0.78419993386863 32.065 > 11 66 S 0.84547264643442 0.83315159561916 0.78419993386863 32.065 > 11 67 S 0.15452735356558 0.08315159561916 0.71580006613137 32.065 > 12 68 S 0.48786068689891 0.08315159561916 0.71580006613137 32.065 > 12 69 S 0.82119402023224 0.08315159561916 0.71580006613137 32.065 > 12 70 S 0.15452735356558 0.58315159561916 0.71580006613137 32.065 > 12 71 S 0.48786068689891 0.58315159561916 0.71580006613137 32.065 > 12 72 S 0.82119402023224 0.58315159561916 0.71580006613137 32.065 > 12 *73 S 0.30499495190854 0.06401537681625 0.08376115211810 32.065 > 13 74 S 0.63832828524187 0.06401537681625 0.08376115211810 32.065 > 13 75 S 0.97166161857520 0.06401537681625 0.08376115211810 32.065 > 13 76 S 0.30499495190854 0.56401537681625 0.08376115211810 32.065 > 13 77 S 0.63832828524187 0.56401537681625 0.08376115211810 32.065 > 13 78 S 0.97166161857520 0.56401537681625 0.08376115211810 32.065 > 13 79 S 0.02833838142480 0.31401537681625 0.41623884788190 32.065 > 14 80 S 0.36167171475813 0.31401537681625 0.41623884788190 32.065 > 14 81 S 0.69500504809146 0.31401537681625 0.41623884788190 32.065 > 14 82 S 0.02833838142480 0.81401537681625 0.41623884788190 32.065 > 14 83 S 0.36167171475813 0.81401537681625 0.41623884788190 32.065 > 14 84 S 0.69500504809146 0.81401537681625 0.41623884788190 32.065 > 14 85 S 0.02833838142480 0.43598462318375 0.91623884788190 32.065 > 15 86 S 0.36167171475813 0.43598462318375 0.91623884788190 32.065 > 15 87 S 0.69500504809146 0.43598462318375 0.91623884788190 32.065 > 15 88 S 0.02833838142480 0.93598462318375 0.91623884788190 32.065 > 15 89 S 0.36167171475813 0.93598462318375 0.91623884788190 32.065 > 15 90 S 0.69500504809146 0.93598462318375 0.91623884788190 32.065 > 15 91 S 0.30499495190854 0.18598462318375 0.58376115211810 32.065 > 16 92 S 0.63832828524187 0.18598462318375 0.58376115211810 32.065 > 16 93 S 0.97166161857520 0.18598462318375 0.58376115211810 32.065 > 16 94 S 0.30499495190854 0.68598462318375 0.58376115211810 32.065 > 16 95 S 0.63832828524187 0.68598462318375 0.58376115211810 32.065 > 16 96 S 0.97166161857520 0.68598462318375 0.58376115211810 32.065 > 16 *97 K 0.11292432036795 0.31491553071808 0.08444610528216 39.098 > 17 98 K 0.44625765370129 0.31491553071808 0.08444610528216 39.098 > 17 99 K 0.77959098703462 0.31491553071808 0.08444610528216 39.098 > 17 100 K 0.11292432036795 0.81491553071808 0.08444610528216 39.098 > 17 101 K 0.44625765370129 0.81491553071808 0.08444610528216 39.098 > 17 102 K 0.77959098703462 0.81491553071808 0.08444610528216 39.098 > 17 103 K 0.22040901296538 0.06491553071808 0.41555389471784 39.098 > 18 104 K 0.55374234629871 0.06491553071808 0.41555389471784 39.098 > 18 105 K 0.88707567963204 0.06491553071808 0.41555389471784 39.098 > 18 106 K 0.22040901296538 0.56491553071808 0.41555389471784 39.098 > 18 107 K 0.55374234629871 0.56491553071808 0.41555389471784 39.098 > 18 108 K 0.88707567963204 0.56491553071808 0.41555389471784 39.098 > 18 109 K 0.22040901296538 0.18508446928192 0.91555389471784 39.098 > 19 110 K 0.55374234629871 0.18508446928192 0.91555389471784 39.098 > 19 111 K 0.88707567963204 0.18508446928192 0.91555389471784 39.098 > 19 112 K 0.22040901296538 0.68508446928192 0.91555389471784 39.098 > 19 113 K 0.55374234629871 0.68508446928192 0.91555389471784 39.098 > 19 114 K 0.88707567963204 0.68508446928192 0.91555389471784 39.098 > 19 115 K 0.11292432036795 0.43508446928192 0.58444610528216 39.098 > 20 116 K 0.44625765370129 0.43508446928192 0.58444610528216 39.098 > 20 117 K 0.77959098703462 0.43508446928192 0.58444610528216 39.098 > 20 118 K 0.11292432036795 0.93508446928192 0.58444610528216 39.098 > 20 119 K 0.44625765370129 0.93508446928192 0.58444610528216 39.098 > 20 120 K 0.77959098703462 0.93508446928192 0.58444610528216 39.098 > 20 *121 K 0.00126658858256 0.30778074256032 0.75367667046808 39.098 > 21 122 K 0.33459992191589 0.30778074256032 0.75367667046808 39.098 > 21 123 K 0.66793325524923 0.30778074256032 0.75367667046808 39.098 > 21 124 K 0.00126658858256 0.80778074256032 0.75367667046808 39.098 > 21 125 K 0.33459992191589 0.80778074256032 0.75367667046808 39.098 > 21 126 K 0.66793325524923 0.80778074256032 0.75367667046808 39.098 > 21 127 K 0.33206674475077 0.05778074256032 0.74632332953192 39.098 > 22 128 K 0.66540007808411 0.05778074256032 0.74632332953192 39.098 > 22 129 K 0.99873341141744 0.05778074256032 0.74632332953192 39.098 > 22 130 K 0.33206674475077 0.55778074256032 0.74632332953192 39.098 > 22 131 K 0.66540007808411 0.55778074256032 0.74632332953192 39.098 > 22 132 K 0.99873341141744 0.55778074256032 0.74632332953192 39.098 > 22 133 K 0.33206674475077 0.19221925743968 0.24632332953192 39.098 > 23 134 K 0.66540007808411 0.19221925743968 0.24632332953192 39.098 > 23 135 K 0.99873341141744 0.19221925743968 0.24632332953192 39.098 > 23 136 K 0.33206674475077 0.69221925743968 0.24632332953192 39.098 > 23 137 K 0.66540007808411 0.69221925743968 0.24632332953192 39.098 > 23 138 K 0.99873341141744 0.69221925743968 0.24632332953192 39.098 > 23 139 K 0.00126658858256 0.44221925743968 0.25367667046808 39.098 > 24 140 K 0.33459992191589 0.44221925743968 0.25367667046808 39.098 > 24 141 K 0.66793325524923 0.44221925743968 0.25367667046808 39.098 > 24 142 K 0.00126658858256 0.94221925743968 0.25367667046808 39.098 > 24 143 K 0.33459992191589 0.94221925743968 0.25367667046808 39.098 > 24 144 K 0.66793325524923 0.94221925743968 0.25367667046808 39.098 > 24----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7329662 0.0000000 0.1175671 0.0000000 3.9948198 0.0000000 0.1175691 0.0000000 4.1943171-------------------------- Born effective charges -------------------------- 1 Te 2.0244846 1.1172498 0.2059377 1.1826565 2.2693460 0.3528655 0.1944077 0.2827978 2.9026868 2 Te 2.0244846 -1.1172498 0.2059377 -1.1826565 2.2693460 -0.3528655 0.1944077 -0.2827978 2.9026868 3 Te 2.0244846 1.1172498 0.2059377 1.1826565 2.2693460 0.3528655 0.1944077 0.2827978 2.9026868 4 Te 2.0244846 -1.1172498 0.2059377 -1.1826565 2.2693460 -0.3528655 0.1944077 -0.2827978 2.9026868 5 S -1.0403145 -0.4351462 0.3862723 -0.1111542 -1.5544657 0.6995606 0.1055087 0.8170263 -1.9428837 6 S -1.0403145 0.4351462 0.3862723 0.1111542 -1.5544657 -0.6995606 0.1055087 -0.8170263 -1.9428837 7 S -1.0403145 -0.4351462 0.3862723 -0.1111542 -1.5544657 0.6995606 0.1055087 0.8170263 -1.9428837 8 S -1.0403145 0.4351462 0.3862723 0.1111542 -1.5544657 -0.6995606 0.1055087 -0.8170263 -1.9428837 9 S -1.1364729 -0.4596116 -0.4990057 -0.2051116 -1.6719999 -0.7436835 -0.2276987 -0.8863774 -2.2124944 10 S -1.1364729 0.4596116 -0.4990057 0.2051116 -1.6719999 0.7436835 -0.2276987 0.8863774 -2.2124944 11 S -1.1364729 -0.4596116 -0.4990057 -0.2051116 -1.6719999 -0.7436835 -0.2276987 -0.8863774 -2.2124944 12 S -1.1364729 0.4596116 -0.4990057 0.2051116 -1.6719999 0.7436835 -0.2276987 0.8863774 -2.2124944 13 S -2.0923278 -0.2105495 0.0695517 -0.8363840 -1.3571790 -0.1779451 -0.0398888 -0.1574699 -1.1160227 14 S -2.0923278 0.2105495 0.0695517 0.8363840 -1.3571790 0.1779451 -0.0398888 0.1574699 -1.1160227 15 S -2.0923278 -0.2105495 0.0695517 -0.8363840 -1.3571790 -0.1779451 -0.0398888 -0.1574699 -1.1160227 16 S -2.0923278 0.2105495 0.0695517 0.8363840 -1.3571790 0.1779451 -0.0398888 0.1574699 -1.1160227 17 K 1.0864958 0.0236976 0.1419692 -0.0269238 1.2215016 -0.1229685 0.0335392 0.1304904 0.9743156 18 K 1.0864958 -0.0236976 0.1419692 0.0269238 1.2215016 0.1229685 0.0335392 -0.1304904 0.9743156 19 K 1.0864958 0.0236976 0.1419692 -0.0269238 1.2215016 -0.1229685 0.0335392 0.1304904 0.9743156 20 K 1.0864958 -0.0236976 0.1419692 0.0269238 1.2215016 0.1229685 0.0335392 -0.1304904 0.9743156 21 K 1.1581348 -0.1337364 -0.3047254 -0.0497048 1.0927971 0.0739826 -0.0658681 -0.0531404 1.3943985 22 K 1.1581348 0.1337364 -0.3047254 0.0497048 1.0927971 -0.0739826 -0.0658681 0.0531404 1.3943985 23 K 1.1581348 -0.1337364 -0.3047254 -0.0497048 1.0927971 0.0739826 -0.0658681 -0.0531404 1.3943985 24 K 1.1581348 0.1337364 -0.3047254 0.0497048 1.0927971 -0.0739826 -0.0658681 0.0531404 1.3943985----------------------------------------------------------------------------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: 432/432Permutation basis: 16056/16056Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3978Number of blocks in projector: 3978Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 864Use submatrix version of eigh solver.(1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 864 / 864(1) 352 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 864Use submatrix version of eigh solver.(1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 864 / 864(1) 352 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 864Use submatrix version of eigh solver.(1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 489 eigenvectors found.(1) Block: 864 / 864(1) 357 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 7 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 462Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 462Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 462Use standard eigh solver.Tree of FC basis block matrices:- (3978, 3925), data: False|-- (462, 456), data: True|-- (462, 456), data: True|-- (462, 456), data: True|-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True|-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True|-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True-----Solver_atoms: 1 -- 144 / 144Time (Solver_compr_matrix_reshape): 0.005Solver_block: 100 / 720 - Time: 1.385Solver_block: 200 / 720 - Time: 1.354Solver_block: 300 / 720 - Time: 1.350Solver_block: 400 / 720 - Time: 1.373Solver_block: 500 / 720 - Time: 1.341Solver_block: 600 / 720 - Time: 1.370Solver_block: 700 / 720 - Time: 1.354Solver_block: 720 / 720 - Time: 0.376Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.111--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432Permutation basis: 16056/16056Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 3978Number of blocks in projector: 3978Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 864Use submatrix version of eigh solver.(1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 864 / 864(1) 352 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 864Use submatrix version of eigh solver.(1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 488 eigenvectors found.(1) Block: 864 / 864(1) 352 eigenvectors found.(1) Complementary block size: 24(1) Compute compressed projector.(1) Use standard solver.(1) 12 eigenvectors found.--- Eigsh_solver_block: 3 / 6 ---Block_size: 864Use submatrix version of eigh solver.(1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found.(1) 489 eigenvectors found.(1) Block: 864 / 864(1) 357 eigenvectors found.(1) Complementary block size: 18(1) Compute compressed projector.(1) Use standard solver.(1) 7 eigenvectors found.--- Eigsh_solver_block: 4 / 6 ---Block_size: 462Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 462Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 462Use standard eigh solver.Tree of FC basis block matrices:- (3978, 3925), data: False|-- (462, 456), data: True|-- (462, 456), data: True|-- (462, 456), data: True|-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True|-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True|-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: TrueMax drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 08:19:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 08:19:23]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [3 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.338151750667568 0.000000000000000 0.000000000000000 b 0.000000000000000 8.952760049999998 0.000000000000000 c -6.230798906767325 0.000000000000000 13.273591003890413Atomic positions (fractional): 1 Te 0.27632898850958 0.16956794468924 0.07700902296934 127.600 2 Te 0.72367101149042 0.66956794468923 0.42299097703066 127.600 3 Te 0.72367101149042 0.83043205531077 0.92299097703066 127.600 4 Te 0.27632898850958 0.33043205531077 0.57700902296934 127.600 5 S 0.18215412049115 0.33475164772635 0.93879493913361 32.065 6 S 0.81784587950885 0.83475164772635 0.56120506086639 32.065 7 S 0.81784587950885 0.66524835227365 0.06120506086639 32.065 8 S 0.18215412049115 0.16524835227365 0.43879493913361 32.065 9 S 0.46358206069673 0.33369680876168 0.21580006613137 32.065 10 S 0.53641793930327 0.83369680876168 0.28419993386863 32.065 11 S 0.53641793930327 0.66630319123832 0.78419993386863 32.065 12 S 0.46358206069673 0.16630319123832 0.71580006613137 32.065 13 S 0.91498485572561 0.12803075363249 0.08376115211810 32.065 14 S 0.08501514427439 0.62803075363249 0.41623884788190 32.065 15 S 0.08501514427439 0.87196924636751 0.91623884788190 32.065 16 S 0.91498485572561 0.37196924636751 0.58376115211810 32.065 17 K 0.33877296110387 0.62983106143616 0.08444610528216 39.098 18 K 0.66122703889613 0.12983106143616 0.41555389471784 39.098 19 K 0.66122703889613 0.37016893856384 0.91555389471784 39.098 20 K 0.33877296110387 0.87016893856384 0.58444610528216 39.098 21 K 0.00379976574768 0.61556148512065 0.75367667046808 39.098 22 K 0.99620023425232 0.11556148512065 0.74632332953192 39.098 23 K 0.99620023425232 0.38443851487935 0.24632332953192 39.098 24 K 0.00379976574768 0.88443851487935 0.25367667046808 39.098-------------------------------- supercell ---------------------------------Lattice vectors: a 19.014455252002705 0.000000000000000 0.000000000000000 b 0.000000000000000 17.905520099999997 0.000000000000000 c -6.230798906767325 0.000000000000000 13.273591003890413Atomic positions (fractional): 1 Te 0.09210966283653 0.08478397234462 0.07700902296934 127.600 > 1 2 Te 0.42544299616986 0.08478397234462 0.07700902296934 127.600 > 1 3 Te 0.75877632950319 0.08478397234462 0.07700902296934 127.600 > 1 4 Te 0.09210966283653 0.58478397234462 0.07700902296934 127.600 > 1 5 Te 0.42544299616986 0.58478397234462 0.07700902296934 127.600 > 1 6 Te 0.75877632950319 0.58478397234462 0.07700902296934 127.600 > 1 7 Te 0.24122367049681 0.33478397234462 0.42299097703066 127.600 > 7 8 Te 0.57455700383014 0.33478397234462 0.42299097703066 127.600 > 7 9 Te 0.90789033716347 0.33478397234462 0.42299097703066 127.600 > 7 10 Te 0.24122367049681 0.83478397234462 0.42299097703066 127.600 > 7 11 Te 0.57455700383014 0.83478397234462 0.42299097703066 127.600 > 7 12 Te 0.90789033716347 0.83478397234462 0.42299097703066 127.600 > 7 13 Te 0.24122367049681 0.41521602765538 0.92299097703066 127.600 > 13 14 Te 0.57455700383014 0.41521602765538 0.92299097703066 127.600 > 13 15 Te 0.90789033716347 0.41521602765538 0.92299097703066 127.600 > 13 16 Te 0.24122367049681 0.91521602765538 0.92299097703066 127.600 > 13 17 Te 0.57455700383014 0.91521602765538 0.92299097703066 127.600 > 13 18 Te 0.90789033716347 0.91521602765538 0.92299097703066 127.600 > 13 19 Te 0.09210966283653 0.16521602765538 0.57700902296934 127.600 > 19 20 Te 0.42544299616986 0.16521602765538 0.57700902296934 127.600 > 19 21 Te 0.75877632950319 0.16521602765538 0.57700902296934 127.600 > 19 22 Te 0.09210966283653 0.66521602765538 0.57700902296934 127.600 > 19 23 Te 0.42544299616986 0.66521602765538 0.57700902296934 127.600 > 19 24 Te 0.75877632950319 0.66521602765538 0.57700902296934 127.600 > 19 25 S 0.06071804016372 0.16737582386317 0.93879493913361 32.065 > 25 26 S 0.39405137349705 0.16737582386317 0.93879493913361 32.065 > 25 27 S 0.72738470683038 0.16737582386317 0.93879493913361 32.065 > 25 28 S 0.06071804016372 0.66737582386317 0.93879493913361 32.065 > 25 29 S 0.39405137349705 0.66737582386317 0.93879493913361 32.065 > 25 30 S 0.72738470683038 0.66737582386317 0.93879493913361 32.065 > 25 31 S 0.27261529316962 0.41737582386317 0.56120506086639 32.065 > 31 32 S 0.60594862650295 0.41737582386317 0.56120506086639 32.065 > 31 33 S 0.93928195983628 0.41737582386317 0.56120506086639 32.065 > 31 34 S 0.27261529316962 0.91737582386317 0.56120506086639 32.065 > 31 35 S 0.60594862650295 0.91737582386317 0.56120506086639 32.065 > 31 36 S 0.93928195983628 0.91737582386317 0.56120506086639 32.065 > 31 37 S 0.27261529316962 0.33262417613683 0.06120506086639 32.065 > 37 38 S 0.60594862650295 0.33262417613683 0.06120506086639 32.065 > 37 39 S 0.93928195983628 0.33262417613683 0.06120506086639 32.065 > 37 40 S 0.27261529316962 0.83262417613683 0.06120506086639 32.065 > 37 41 S 0.60594862650295 0.83262417613683 0.06120506086639 32.065 > 37 42 S 0.93928195983628 0.83262417613683 0.06120506086639 32.065 > 37 43 S 0.06071804016372 0.08262417613683 0.43879493913361 32.065 > 43 44 S 0.39405137349705 0.08262417613683 0.43879493913361 32.065 > 43 45 S 0.72738470683038 0.08262417613683 0.43879493913361 32.065 > 43 46 S 0.06071804016372 0.58262417613683 0.43879493913361 32.065 > 43 47 S 0.39405137349705 0.58262417613683 0.43879493913361 32.065 > 43 48 S 0.72738470683038 0.58262417613683 0.43879493913361 32.065 > 43 49 S 0.15452735356558 0.16684840438084 0.21580006613137 32.065 > 49 50 S 0.48786068689891 0.16684840438084 0.21580006613137 32.065 > 49 51 S 0.82119402023224 0.16684840438084 0.21580006613137 32.065 > 49 52 S 0.15452735356558 0.66684840438084 0.21580006613137 32.065 > 49 53 S 0.48786068689891 0.66684840438084 0.21580006613137 32.065 > 49 54 S 0.82119402023224 0.66684840438084 0.21580006613137 32.065 > 49 55 S 0.17880597976776 0.41684840438084 0.28419993386863 32.065 > 55 56 S 0.51213931310109 0.41684840438084 0.28419993386863 32.065 > 55 57 S 0.84547264643442 0.41684840438084 0.28419993386863 32.065 > 55 58 S 0.17880597976776 0.91684840438084 0.28419993386863 32.065 > 55 59 S 0.51213931310109 0.91684840438084 0.28419993386863 32.065 > 55 60 S 0.84547264643442 0.91684840438084 0.28419993386863 32.065 > 55 61 S 0.17880597976776 0.33315159561916 0.78419993386863 32.065 > 61 62 S 0.51213931310109 0.33315159561916 0.78419993386863 32.065 > 61 63 S 0.84547264643442 0.33315159561916 0.78419993386863 32.065 > 61 64 S 0.17880597976776 0.83315159561916 0.78419993386863 32.065 > 61 65 S 0.51213931310109 0.83315159561916 0.78419993386863 32.065 > 61 66 S 0.84547264643442 0.83315159561916 0.78419993386863 32.065 > 61 67 S 0.15452735356558 0.08315159561916 0.71580006613137 32.065 > 67 68 S 0.48786068689891 0.08315159561916 0.71580006613137 32.065 > 67 69 S 0.82119402023224 0.08315159561916 0.71580006613137 32.065 > 67 70 S 0.15452735356558 0.58315159561916 0.71580006613137 32.065 > 67 71 S 0.48786068689891 0.58315159561916 0.71580006613137 32.065 > 67 72 S 0.82119402023224 0.58315159561916 0.71580006613137 32.065 > 67 73 S 0.30499495190854 0.06401537681625 0.08376115211810 32.065 > 73 74 S 0.63832828524187 0.06401537681625 0.08376115211810 32.065 > 73 75 S 0.97166161857520 0.06401537681625 0.08376115211810 32.065 > 73 76 S 0.30499495190854 0.56401537681625 0.08376115211810 32.065 > 73 77 S 0.63832828524187 0.56401537681625 0.08376115211810 32.065 > 73 78 S 0.97166161857520 0.56401537681625 0.08376115211810 32.065 > 73 79 S 0.02833838142480 0.31401537681625 0.41623884788190 32.065 > 79 80 S 0.36167171475813 0.31401537681625 0.41623884788190 32.065 > 79 81 S 0.69500504809146 0.31401537681625 0.41623884788190 32.065 > 79 82 S 0.02833838142480 0.81401537681625 0.41623884788190 32.065 > 79 83 S 0.36167171475813 0.81401537681625 0.41623884788190 32.065 > 79 84 S 0.69500504809146 0.81401537681625 0.41623884788190 32.065 > 79 85 S 0.02833838142480 0.43598462318375 0.91623884788190 32.065 > 85 86 S 0.36167171475813 0.43598462318375 0.91623884788190 32.065 > 85 87 S 0.69500504809146 0.43598462318375 0.91623884788190 32.065 > 85 88 S 0.02833838142480 0.93598462318375 0.91623884788190 32.065 > 85 89 S 0.36167171475813 0.93598462318375 0.91623884788190 32.065 > 85 90 S 0.69500504809146 0.93598462318375 0.91623884788190 32.065 > 85 91 S 0.30499495190854 0.18598462318375 0.58376115211810 32.065 > 91 92 S 0.63832828524187 0.18598462318375 0.58376115211810 32.065 > 91 93 S 0.97166161857520 0.18598462318375 0.58376115211810 32.065 > 91 94 S 0.30499495190854 0.68598462318375 0.58376115211810 32.065 > 91 95 S 0.63832828524187 0.68598462318375 0.58376115211810 32.065 > 91 96 S 0.97166161857520 0.68598462318375 0.58376115211810 32.065 > 91 97 K 0.11292432036795 0.31491553071808 0.08444610528216 39.098 > 97 98 K 0.44625765370129 0.31491553071808 0.08444610528216 39.098 > 97 99 K 0.77959098703462 0.31491553071808 0.08444610528216 39.098 > 97 100 K 0.11292432036795 0.81491553071808 0.08444610528216 39.098 > 97 101 K 0.44625765370129 0.81491553071808 0.08444610528216 39.098 > 97 102 K 0.77959098703462 0.81491553071808 0.08444610528216 39.098 > 97 103 K 0.22040901296538 0.06491553071808 0.41555389471784 39.098 > 103 104 K 0.55374234629871 0.06491553071808 0.41555389471784 39.098 > 103 105 K 0.88707567963204 0.06491553071808 0.41555389471784 39.098 > 103 106 K 0.22040901296538 0.56491553071808 0.41555389471784 39.098 > 103 107 K 0.55374234629871 0.56491553071808 0.41555389471784 39.098 > 103 108 K 0.88707567963204 0.56491553071808 0.41555389471784 39.098 > 103 109 K 0.22040901296538 0.18508446928192 0.91555389471784 39.098 > 109 110 K 0.55374234629871 0.18508446928192 0.91555389471784 39.098 > 109 111 K 0.88707567963204 0.18508446928192 0.91555389471784 39.098 > 109 112 K 0.22040901296538 0.68508446928192 0.91555389471784 39.098 > 109 113 K 0.55374234629871 0.68508446928192 0.91555389471784 39.098 > 109 114 K 0.88707567963204 0.68508446928192 0.91555389471784 39.098 > 109 115 K 0.11292432036795 0.43508446928192 0.58444610528216 39.098 > 115 116 K 0.44625765370129 0.43508446928192 0.58444610528216 39.098 > 115 117 K 0.77959098703462 0.43508446928192 0.58444610528216 39.098 > 115 118 K 0.11292432036795 0.93508446928192 0.58444610528216 39.098 > 115 119 K 0.44625765370129 0.93508446928192 0.58444610528216 39.098 > 115 120 K 0.77959098703462 0.93508446928192 0.58444610528216 39.098 > 115 121 K 0.00126658858256 0.30778074256032 0.75367667046808 39.098 > 121 122 K 0.33459992191589 0.30778074256032 0.75367667046808 39.098 > 121 123 K 0.66793325524923 0.30778074256032 0.75367667046808 39.098 > 121 124 K 0.00126658858256 0.80778074256032 0.75367667046808 39.098 > 121 125 K 0.33459992191589 0.80778074256032 0.75367667046808 39.098 > 121 126 K 0.66793325524923 0.80778074256032 0.75367667046808 39.098 > 121 127 K 0.33206674475077 0.05778074256032 0.74632332953192 39.098 > 127 128 K 0.66540007808411 0.05778074256032 0.74632332953192 39.098 > 127 129 K 0.99873341141744 0.05778074256032 0.74632332953192 39.098 > 127 130 K 0.33206674475077 0.55778074256032 0.74632332953192 39.098 > 127 131 K 0.66540007808411 0.55778074256032 0.74632332953192 39.098 > 127 132 K 0.99873341141744 0.55778074256032 0.74632332953192 39.098 > 127 133 K 0.33206674475077 0.19221925743968 0.24632332953192 39.098 > 133 134 K 0.66540007808411 0.19221925743968 0.24632332953192 39.098 > 133 135 K 0.99873341141744 0.19221925743968 0.24632332953192 39.098 > 133 136 K 0.33206674475077 0.69221925743968 0.24632332953192 39.098 > 133 137 K 0.66540007808411 0.69221925743968 0.24632332953192 39.098 > 133 138 K 0.99873341141744 0.69221925743968 0.24632332953192 39.098 > 133 139 K 0.00126658858256 0.44221925743968 0.25367667046808 39.098 > 139 140 K 0.33459992191589 0.44221925743968 0.25367667046808 39.098 > 139 141 K 0.66793325524923 0.44221925743968 0.25367667046808 39.098 > 139 142 K 0.00126658858256 0.94221925743968 0.25367667046808 39.098 > 139 143 K 0.33459992191589 0.94221925743968 0.25367667046808 39.098 > 139 144 K 0.66793325524923 0.94221925743968 0.25367667046808 39.098 > 139----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 3.7329662 0.0000000 0.1175671 0.0000000 3.9948198 0.0000000 0.1175691 0.0000000 4.1943171-------------------------- Born effective charges -------------------------- 1 Te 2.0244846 1.1172498 0.2059377 1.1826565 2.2693460 0.3528655 0.1944077 0.2827978 2.9026868 2 Te 2.0244846 -1.1172498 0.2059377 -1.1826565 2.2693460 -0.3528655 0.1944077 -0.2827978 2.9026868 3 Te 2.0244846 1.1172498 0.2059377 1.1826565 2.2693460 0.3528655 0.1944077 0.2827978 2.9026868 4 Te 2.0244846 -1.1172498 0.2059377 -1.1826565 2.2693460 -0.3528655 0.1944077 -0.2827978 2.9026868 5 S -1.0403145 -0.4351462 0.3862723 -0.1111542 -1.5544657 0.6995606 0.1055087 0.8170263 -1.9428837 6 S -1.0403145 0.4351462 0.3862723 0.1111542 -1.5544657 -0.6995606 0.1055087 -0.8170263 -1.9428837 7 S -1.0403145 -0.4351462 0.3862723 -0.1111542 -1.5544657 0.6995606 0.1055087 0.8170263 -1.9428837 8 S -1.0403145 0.4351462 0.3862723 0.1111542 -1.5544657 -0.6995606 0.1055087 -0.8170263 -1.9428837 9 S -1.1364729 -0.4596116 -0.4990057 -0.2051116 -1.6719999 -0.7436835 -0.2276987 -0.8863774 -2.2124944 10 S -1.1364729 0.4596116 -0.4990057 0.2051116 -1.6719999 0.7436835 -0.2276987 0.8863774 -2.2124944 11 S -1.1364729 -0.4596116 -0.4990057 -0.2051116 -1.6719999 -0.7436835 -0.2276987 -0.8863774 -2.2124944 12 S -1.1364729 0.4596116 -0.4990057 0.2051116 -1.6719999 0.7436835 -0.2276987 0.8863774 -2.2124944 13 S -2.0923278 -0.2105495 0.0695517 -0.8363840 -1.3571790 -0.1779451 -0.0398888 -0.1574699 -1.1160227 14 S -2.0923278 0.2105495 0.0695517 0.8363840 -1.3571790 0.1779451 -0.0398888 0.1574699 -1.1160227 15 S -2.0923278 -0.2105495 0.0695517 -0.8363840 -1.3571790 -0.1779451 -0.0398888 -0.1574699 -1.1160227 16 S -2.0923278 0.2105495 0.0695517 0.8363840 -1.3571790 0.1779451 -0.0398888 0.1574699 -1.1160227 17 K 1.0864958 0.0236976 0.1419692 -0.0269238 1.2215016 -0.1229685 0.0335392 0.1304904 0.9743156 18 K 1.0864958 -0.0236976 0.1419692 0.0269238 1.2215016 0.1229685 0.0335392 -0.1304904 0.9743156 19 K 1.0864958 0.0236976 0.1419692 -0.0269238 1.2215016 -0.1229685 0.0335392 0.1304904 0.9743156 20 K 1.0864958 -0.0236976 0.1419692 0.0269238 1.2215016 0.1229685 0.0335392 -0.1304904 0.9743156 21 K 1.1581348 -0.1337364 -0.3047254 -0.0497048 1.0927971 0.0739826 -0.0658681 -0.0531404 1.3943985 22 K 1.1581348 0.1337364 -0.3047254 0.0497048 1.0927971 -0.0739826 -0.0658681 0.0531404 1.3943985 23 K 1.1581348 -0.1337364 -0.3047254 -0.0497048 1.0927971 0.0739826 -0.0658681 -0.0531404 1.3943985 24 K 1.1581348 0.1337364 -0.3047254 0.0497048 1.0927971 -0.0739826 -0.0658681 0.0531404 1.3943985----------------------------------------------------------------------------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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Computing fc3[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Computing fc3[ 121, 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] [-0.0042 0.0000 0.0091] [ 0.0042 0.0000 -0.0091]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 08:20:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 08:20:04]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [3 2 1]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: P2_1/c (14)------------------------------ primitive cell ------------------------------Lattice vectors: a 6.338151750667568 0.000000000000000 0.000000000000000 b 0.000000000000000 8.952760049999998 0.000000000000000 c -6.230798906767325 0.000000000000000 13.273591003890413Atomic positions (fractional): 1 Te 0.27632898850958 0.16956794468924 0.07700902296934 127.600 2 Te 0.72367101149042 0.66956794468923 0.42299097703066 127.600 3 Te 0.72367101149042 0.83043205531077 0.92299097703066 127.600 4 Te 0.27632898850958 0.33043205531077 0.57700902296934 127.600 5 S 0.18215412049115 0.33475164772635 0.93879493913361 32.065 6 S 0.81784587950885 0.83475164772635 0.56120506086639 32.065 7 S 0.81784587950885 0.66524835227365 0.06120506086639 32.065 8 S 0.18215412049115 0.16524835227365 0.43879493913361 32.065 9 S 0.46358206069673 0.33369680876168 0.21580006613137 32.065 10 S 0.53641793930327 0.83369680876168 0.28419993386863 32.065 11 S 0.53641793930327 0.66630319123832 0.78419993386863 32.065 12 S 0.46358206069673 0.16630319123832 0.71580006613137 32.065 13 S 0.91498485572561 0.12803075363249 0.08376115211810 32.065 14 S 0.08501514427439 0.62803075363249 0.41623884788190 32.065 15 S 0.08501514427439 0.87196924636751 0.91623884788190 32.065 16 S 0.91498485572561 0.37196924636751 0.58376115211810 32.065 17 K 0.33877296110387 0.62983106143616 0.08444610528216 39.098 18 K 0.66122703889613 0.12983106143616 0.41555389471784 39.098 19 K 0.66122703889613 0.37016893856384 0.91555389471784 39.098 20 K 0.33877296110387 0.87016893856384 0.58444610528216 39.098 21 K 0.00379976574768 0.61556148512065 0.75367667046808 39.098 22 K 0.99620023425232 0.11556148512065 0.74632332953192 39.098 23 K 0.99620023425232 0.38443851487935 0.24632332953192 39.098 24 K 0.00379976574768 0.88443851487935 0.25367667046808 39.098-------------------------------- supercell ---------------------------------Lattice vectors: a 19.014455252002705 0.000000000000000 0.000000000000000 b 0.000000000000000 17.905520099999997 0.000000000000000 c -6.230798906767325 0.000000000000000 13.273591003890413Atomic positions (fractional): 1 Te 0.09210966283653 0.08478397234462 0.07700902296934 127.600 > 1 2 Te 0.42544299616986 0.08478397234462 0.07700902296934 127.600 > 1 3 Te 0.75877632950319 0.08478397234462 0.07700902296934 127.600 > 1 4 Te 0.09210966283653 0.58478397234462 0.07700902296934 127.600 > 1 5 Te 0.42544299616986 0.58478397234462 0.07700902296934 127.600 > 1 6 Te 0.75877632950319 0.58478397234462 0.07700902296934 127.600 > 1 7 Te 0.24122367049681 0.33478397234462 0.42299097703066 127.600 > 7 8 Te 0.57455700383014 0.33478397234462 0.42299097703066 127.600 > 7 9 Te 0.90789033716347 0.33478397234462 0.42299097703066 127.600 > 7 10 Te 0.24122367049681 0.83478397234462 0.42299097703066 127.600 > 7 11 Te 0.57455700383014 0.83478397234462 0.42299097703066 127.600 > 7 12 Te 0.90789033716347 0.83478397234462 0.42299097703066 127.600 > 7 13 Te 0.24122367049681 0.41521602765538 0.92299097703066 127.600 > 13 14 Te 0.57455700383014 0.41521602765538 0.92299097703066 127.600 > 13 15 Te 0.90789033716347 0.41521602765538 0.92299097703066 127.600 > 13 16 Te 0.24122367049681 0.91521602765538 0.92299097703066 127.600 > 13 17 Te 0.57455700383014 0.91521602765538 0.92299097703066 127.600 > 13 18 Te 0.90789033716347 0.91521602765538 0.92299097703066 127.600 > 13 19 Te 0.09210966283653 0.16521602765538 0.57700902296934 127.600 > 19 20 Te 0.42544299616986 0.16521602765538 0.57700902296934 127.600 > 19 21 Te 0.75877632950319 0.16521602765538 0.57700902296934 127.600 > 19 22 Te 0.09210966283653 0.66521602765538 0.57700902296934 127.600 > 19 23 Te 0.42544299616986 0.66521602765538 0.57700902296934 127.600 > 19 24 Te 0.75877632950319 0.66521602765538 0.57700902296934 127.600 > 19 25 S 0.06071804016372 0.16737582386317 0.93879493913361 32.065 > 25 26 S 0.39405137349705 0.16737582386317 0.93879493913361 32.065 > 25 27 S 0.72738470683038 0.16737582386317 0.93879493913361 32.065 > 25 28 S 0.06071804016372 0.66737582386317 0.93879493913361 32.065 > 25 29 S 0.39405137349705 0.66737582386317 0.93879493913361 32.065 > 25 30 S 0.72738470683038 0.66737582386317 0.93879493913361 32.065 > 25 31 S 0.27261529316962 0.41737582386317 0.56120506086639 32.065 > 31 32 S 0.60594862650295 0.41737582386317 0.56120506086639 32.065 > 31 33 S 0.93928195983628 0.41737582386317 0.56120506086639 32.065 > 31 34 S 0.27261529316962 0.91737582386317 0.56120506086639 32.065 > 31 35 S 0.60594862650295 0.91737582386317 0.56120506086639 32.065 > 31 36 S 0.93928195983628 0.91737582386317 0.56120506086639 32.065 > 31 37 S 0.27261529316962 0.33262417613683 0.06120506086639 32.065 > 37 38 S 0.60594862650295 0.33262417613683 0.06120506086639 32.065 > 37 39 S 0.93928195983628 0.33262417613683 0.06120506086639 32.065 > 37 40 S 0.27261529316962 0.83262417613683 0.06120506086639 32.065 > 37 41 S 0.60594862650295 0.83262417613683 0.06120506086639 32.065 > 37 42 S 0.93928195983628 0.83262417613683 0.06120506086639 32.065 > 37 43 S 0.06071804016372 0.08262417613683 0.43879493913361 32.065 > 43 44 S 0.39405137349705 0.08262417613683 0.43879493913361 32.065 > 43 45 S 0.72738470683038 0.08262417613683 0.43879493913361 32.065 > 43 46 S 0.06071804016372 0.58262417613683 0.43879493913361 32.065 > 43 47 S 0.39405137349705 0.58262417613683 0.43879493913361 32.065 > 43 48 S 0.72738470683038 0.58262417613683 0.43879493913361 32.065 > 43 49 S 0.15452735356558 0.16684840438084 0.21580006613137 32.065 > 49 50 S 0.48786068689891 0.16684840438084 0.21580006613137 32.065 > 49 51 S 0.82119402023224 0.16684840438084 0.21580006613137 32.065 > 49 52 S 0.15452735356558 0.66684840438084 0.21580006613137 32.065 > 49 53 S 0.48786068689891 0.66684840438084 0.21580006613137 32.065 > 49 54 S 0.82119402023224 0.66684840438084 0.21580006613137 32.065 > 49 55 S 0.17880597976776 0.41684840438084 0.28419993386863 32.065 > 55 56 S 0.51213931310109 0.41684840438084 0.28419993386863 32.065 > 55 57 S 0.84547264643442 0.41684840438084 0.28419993386863 32.065 > 55 58 S 0.17880597976776 0.91684840438084 0.28419993386863 32.065 > 55 59 S 0.51213931310109 0.91684840438084 0.28419993386863 32.065 > 55 60 S 0.84547264643442 0.91684840438084 0.28419993386863 32.065 > 55 61 S 0.17880597976776 0.33315159561916 0.78419993386863 32.065 > 61 62 S 0.51213931310109 0.33315159561916 0.78419993386863 32.065 > 61 63 S 0.84547264643442 0.33315159561916 0.78419993386863 32.065 > 61 64 S 0.17880597976776 0.83315159561916 0.78419993386863 32.065 > 61 65 S 0.51213931310109 0.83315159561916 0.78419993386863 32.065 > 61 66 S 0.84547264643442 0.83315159561916 0.78419993386863 32.065 > 61 67 S 0.15452735356558 0.08315159561916 0.71580006613137 32.065 > 67 68 S 0.48786068689891 0.08315159561916 0.71580006613137 32.065 > 67 69 S 0.82119402023224 0.08315159561916 0.71580006613137 32.065 > 67 70 S 0.15452735356558 0.58315159561916 0.71580006613137 32.065 > 67 71 S 0.48786068689891 0.58315159561916 0.71580006613137 32.065 > 67 72 S 0.82119402023224 0.58315159561916 0.71580006613137 32.065 > 67 73 S 0.30499495190854 0.06401537681625 0.08376115211810 32.065 > 73 74 S 0.63832828524187 0.06401537681625 0.08376115211810 32.065 > 73 75 S 0.97166161857520 0.06401537681625 0.08376115211810 32.065 > 73 76 S 0.30499495190854 0.56401537681625 0.08376115211810 32.065 > 73 77 S 0.63832828524187 0.56401537681625 0.08376115211810 32.065 > 73 78 S 0.97166161857520 0.56401537681625 0.08376115211810 32.065 > 73 79 S 0.02833838142480 0.31401537681625 0.41623884788190 32.065 > 79 80 S 0.36167171475813 0.31401537681625 0.41623884788190 32.065 > 79 81 S 0.69500504809146 0.31401537681625 0.41623884788190 32.065 > 79 82 S 0.02833838142480 0.81401537681625 0.41623884788190 32.065 > 79 83 S 0.36167171475813 0.81401537681625 0.41623884788190 32.065 > 79 84 S 0.69500504809146 0.81401537681625 0.41623884788190 32.065 > 79 85 S 0.02833838142480 0.43598462318375 0.91623884788190 32.065 > 85 86 S 0.36167171475813 0.43598462318375 0.91623884788190 32.065 > 85 87 S 0.69500504809146 0.43598462318375 0.91623884788190 32.065 > 85 88 S 0.02833838142480 0.93598462318375 0.91623884788190 32.065 > 85 89 S 0.36167171475813 0.93598462318375 0.91623884788190 32.065 > 85 90 S 0.69500504809146 0.93598462318375 0.91623884788190 32.065 > 85 91 S 0.30499495190854 0.18598462318375 0.58376115211810 32.065 > 91 92 S 0.63832828524187 0.18598462318375 0.58376115211810 32.065 > 91 93 S 0.97166161857520 0.18598462318375 0.58376115211810 32.065 > 91 94 S 0.30499495190854 0.68598462318375 0.58376115211810 32.065 > 91 95 S 0.63832828524187 0.68598462318375 0.58376115211810 32.065 > 91 96 S 0.97166161857520 0.68598462318375 0.58376115211810 32.065 > 91 97 K 0.11292432036795 0.31491553071808 0.08444610528216 39.098 > 97 98 K 0.44625765370129 0.31491553071808 0.08444610528216 39.098 > 97 99 K 0.77959098703462 0.31491553071808 0.08444610528216 39.098 > 97 100 K 0.11292432036795 0.81491553071808 0.08444610528216 39.098 > 97 101 K 0.44625765370129 0.81491553071808 0.08444610528216 39.098 > 97 102 K 0.77959098703462 0.81491553071808 0.08444610528216 39.098 > 97 103 K 0.22040901296538 0.06491553071808 0.41555389471784 39.098 > 103 104 K 0.55374234629871 0.06491553071808 0.41555389471784 39.098 > 103 105 K 0.88707567963204 0.06491553071808 0.41555389471784 39.098 > 103 106 K 0.22040901296538 0.56491553071808 0.41555389471784 39.098 > 103 107 K 0.55374234629871 0.56491553071808 0.41555389471784 39.098 > 103 108 K 0.88707567963204 0.56491553071808 0.41555389471784 39.098 > 103 109 K 0.22040901296538 0.18508446928192 0.91555389471784 39.098 > 109 110 K 0.55374234629871 0.18508446928192 0.91555389471784 39.098 > 109 111 K 0.88707567963204 0.18508446928192 0.91555389471784 39.098 > 109 112 K 0.22040901296538 0.68508446928192 0.91555389471784 39.098 > 109 113 K 0.55374234629871 0.68508446928192 0.91555389471784 39.098 > 109 114 K 0.88707567963204 0.68508446928192 0.91555389471784 39.098 > 109 115 K 0.11292432036795 0.43508446928192 0.58444610528216 39.098 > 115 116 K 0.44625765370129 0.43508446928192 0.58444610528216 39.098 > 115 117 K 0.77959098703462 0.43508446928192 0.58444610528216 39.098 > 115 118 K 0.11292432036795 0.93508446928192 0.58444610528216 39.098 > 115 119 K 0.44625765370129 0.93508446928192 0.58444610528216 39.098 > 115 120 K 0.77959098703462 0.93508446928192 0.58444610528216 39.098 > 115 121 K 0.00126658858256 0.30778074256032 0.75367667046808 39.098 > 121 122 K 0.33459992191589 0.30778074256032 0.75367667046808 39.098 > 121 123 K 0.66793325524923 0.30778074256032 0.75367667046808 39.098 > 121 124 K 0.00126658858256 0.80778074256032 0.75367667046808 39.098 > 121 125 K 0.33459992191589 0.80778074256032 0.75367667046808 39.098 > 121 126 K 0.66793325524923 0.80778074256032 0.75367667046808 39.098 > 121 127 K 0.33206674475077 0.05778074256032 0.74632332953192 39.098 > 127 128 K 0.66540007808411 0.05778074256032 0.74632332953192 39.098 > 127 129 K 0.99873341141744 0.05778074256032 0.74632332953192 39.098 > 127 130 K 0.33206674475077 0.55778074256032 0.74632332953192 39.098 > 127 131 K 0.66540007808411 0.55778074256032 0.74632332953192 39.098 > 127 132 K 0.99873341141744 0.55778074256032 0.74632332953192 39.098 > 127 133 K 0.33206674475077 0.19221925743968 0.24632332953192 39.098 > 133 134 K 0.66540007808411 0.19221925743968 0.24632332953192 39.098 > 133 135 K 0.99873341141744 0.19221925743968 0.24632332953192 39.098 > 133 136 K 0.33206674475077 0.69221925743968 0.24632332953192 39.098 > 133 137 K 0.66540007808411 0.69221925743968 0.24632332953192 39.098 > 133 138 K 0.99873341141744 0.69221925743968 0.24632332953192 39.098 > 133 139 K 0.00126658858256 0.44221925743968 0.25367667046808 39.098 > 139 140 K 0.33459992191589 0.44221925743968 0.25367667046808 39.098 > 139 141 K 0.66793325524923 0.44221925743968 0.25367667046808 39.098 > 139 142 K 0.00126658858256 0.94221925743968 0.25367667046808 39.098 > 139 143 K 0.33459992191589 0.94221925743968 0.25367667046808 39.098 > 139 144 K 0.66793325524923 0.94221925743968 0.25367667046808 39.098 > 139----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 3.7329662 0.0000000 0.1175671 0.0000000 3.9948198 0.0000000 0.1175691 0.0000000 4.1943171-------------------------- Born effective charges -------------------------- 1 Te 2.0244846 1.1172498 0.2059377 1.1826565 2.2693460 0.3528655 0.1944077 0.2827978 2.9026868 2 Te 2.0244846 -1.1172498 0.2059377 -1.1826565 2.2693460 -0.3528655 0.1944077 -0.2827978 2.9026868 3 Te 2.0244846 1.1172498 0.2059377 1.1826565 2.2693460 0.3528655 0.1944077 0.2827978 2.9026868 4 Te 2.0244846 -1.1172498 0.2059377 -1.1826565 2.2693460 -0.3528655 0.1944077 -0.2827978 2.9026868 5 S -1.0403145 -0.4351462 0.3862723 -0.1111542 -1.5544657 0.6995606 0.1055087 0.8170263 -1.9428837 6 S -1.0403145 0.4351462 0.3862723 0.1111542 -1.5544657 -0.6995606 0.1055087 -0.8170263 -1.9428837 7 S -1.0403145 -0.4351462 0.3862723 -0.1111542 -1.5544657 0.6995606 0.1055087 0.8170263 -1.9428837 8 S -1.0403145 0.4351462 0.3862723 0.1111542 -1.5544657 -0.6995606 0.1055087 -0.8170263 -1.9428837 9 S -1.1364729 -0.4596116 -0.4990057 -0.2051116 -1.6719999 -0.7436835 -0.2276987 -0.8863774 -2.2124944 10 S -1.1364729 0.4596116 -0.4990057 0.2051116 -1.6719999 0.7436835 -0.2276987 0.8863774 -2.2124944 11 S -1.1364729 -0.4596116 -0.4990057 -0.2051116 -1.6719999 -0.7436835 -0.2276987 -0.8863774 -2.2124944 12 S -1.1364729 0.4596116 -0.4990057 0.2051116 -1.6719999 0.7436835 -0.2276987 0.8863774 -2.2124944 13 S -2.0923278 -0.2105495 0.0695517 -0.8363840 -1.3571790 -0.1779451 -0.0398888 -0.1574699 -1.1160227 14 S -2.0923278 0.2105495 0.0695517 0.8363840 -1.3571790 0.1779451 -0.0398888 0.1574699 -1.1160227 15 S -2.0923278 -0.2105495 0.0695517 -0.8363840 -1.3571790 -0.1779451 -0.0398888 -0.1574699 -1.1160227 16 S -2.0923278 0.2105495 0.0695517 0.8363840 -1.3571790 0.1779451 -0.0398888 0.1574699 -1.1160227 17 K 1.0864958 0.0236976 0.1419692 -0.0269238 1.2215016 -0.1229685 0.0335392 0.1304904 0.9743156 18 K 1.0864958 -0.0236976 0.1419692 0.0269238 1.2215016 0.1229685 0.0335392 -0.1304904 0.9743156 19 K 1.0864958 0.0236976 0.1419692 -0.0269238 1.2215016 -0.1229685 0.0335392 0.1304904 0.9743156 20 K 1.0864958 -0.0236976 0.1419692 0.0269238 1.2215016 0.1229685 0.0335392 -0.1304904 0.9743156 21 K 1.1581348 -0.1337364 -0.3047254 -0.0497048 1.0927971 0.0739826 -0.0658681 -0.0531404 1.3943985 22 K 1.1581348 0.1337364 -0.3047254 0.0497048 1.0927971 -0.0739826 -0.0658681 0.0531404 1.3943985 23 K 1.1581348 -0.1337364 -0.3047254 -0.0497048 1.0927971 0.0739826 -0.0658681 -0.0531404 1.3943985 24 K 1.1581348 0.1337364 -0.3047254 0.0497048 1.0927971 -0.0739826 -0.0658681 0.0531404 1.3943985----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy)Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 9 6 4 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.46, Number of G-points: 293, Lambda: 0.09Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/76) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.913 ( 0.000 0.000 0.000) 0.000 1.079 ( 0.000 0.000 0.000) 0.000 1.088 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.261 ( 0.000 0.000 0.000) 0.000 1.383 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.487 ( 0.000 0.000 0.000) 0.000 1.552 ( 0.000 0.000 0.000) 0.000 1.730 ( 0.000 0.000 0.000) 0.000 1.779 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.919 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.155 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.167 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.413 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.781 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 2.999 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.367 ( 0.000 0.000 0.000) 0.000 3.421 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 0.000 0.000) 0.000 3.435 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 4.081 ( 0.000 0.000 0.000) 0.000 4.118 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.286 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.821 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.886 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.504 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 5.596 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.718 ( 0.000 0.000 0.000) 0.000 5.985 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.011 ( 0.000 0.000 0.000) 0.000 9.667 ( 0.000 0.000 0.000) 0.000 9.685 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 9.902 ( 0.000 0.000 0.000) 0.000 9.979 ( 0.000 0.000 0.000) 0.000 9.981 ( 0.000 0.000 0.000) 0.000 10.175 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.768 ( 0.000 0.000 0.000) 0.000 10.857 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 10.872 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/76) =======================q-point: ( 0.11 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.282 ( 11.843 0.000 8.475) 14.563 0.353 ( 11.674 0.000 15.648) 19.523 0.554 ( 28.176 0.000 2.225) 28.263 1.002 ( 10.713 0.000 -6.853) 12.717 1.159 ( 8.280 0.000 2.064) 8.533 1.186 ( 3.952 0.000 -2.748) 4.814 1.249 ( 7.693 0.000 -6.531) 10.091 1.337 ( 6.268 0.000 3.870) 7.366 1.429 ( 4.685 0.000 0.253) 4.692 1.484 ( 1.031 0.000 0.179) 1.046 1.508 ( 0.997 0.000 4.068) 4.188 1.612 ( 8.016 0.000 -3.564) 8.773 1.773 ( -0.949 0.000 3.920) 4.033 1.783 ( 1.230 0.000 -0.640) 1.386 1.838 ( 9.597 0.000 1.781) 9.761 1.929 ( 1.658 0.000 1.133) 2.008 2.006 ( 1.646 0.000 -1.169) 2.019 2.128 ( 2.116 0.000 -4.398) 4.881 2.174 ( 2.361 0.000 0.827) 2.502 2.189 ( 10.573 0.000 3.698) 11.201 2.254 ( 10.686 0.000 -0.875) 10.722 2.339 ( 6.806 0.000 5.957) 9.045 2.511 ( 6.272 0.000 -1.078) 6.364 2.733 ( 0.865 0.000 -7.134) 7.186 2.819 ( -0.143 0.000 6.248) 6.250 2.976 ( -1.530 0.000 -1.857) 2.406 2.999 ( 3.216 0.000 -2.902) 4.332 3.197 ( 2.615 0.000 -7.141) 7.605 3.250 ( -1.159 0.000 2.773) 3.005 3.275 ( 0.616 0.000 -5.309) 5.345 3.322 ( -2.788 0.000 -3.884) 4.780 3.412 ( -0.654 0.000 -1.037) 1.225 3.474 ( 1.253 0.000 5.324) 5.470 3.532 ( 2.604 0.000 8.741) 9.121 3.671 ( 2.670 0.000 -3.717) 4.577 3.855 ( -2.597 0.000 -1.574) 3.036 3.900 ( -0.607 0.000 3.128) 3.186 4.144 ( -3.584 0.000 -1.976) 4.092 4.147 ( -2.535 0.000 8.781) 9.140 4.183 ( -1.716 0.000 -2.065) 2.685 4.215 ( -0.758 0.000 -1.248) 1.460 4.272 ( -2.772 0.000 2.710) 3.877 4.474 ( -1.405 0.000 -1.556) 2.096 4.498 ( -4.592 0.000 4.988) 6.780 4.745 ( -1.979 0.000 -4.682) 5.083 4.790 ( -3.772 0.000 0.615) 3.822 4.854 ( -3.316 0.000 -0.909) 3.439 4.883 ( 0.629 0.000 -0.130) 0.642 5.446 ( 0.207 0.000 -1.422) 1.437 5.475 ( -1.595 0.000 -0.217) 1.610 5.522 ( -0.813 0.000 0.277) 0.859 5.545 ( 2.145 0.000 -6.904) 7.230 5.586 ( -1.222 0.000 -0.192) 1.237 5.597 ( -0.464 0.000 0.818) 0.941 5.617 ( -0.331 0.000 -0.814) 0.879 5.720 ( -0.565 0.000 1.331) 1.446 5.991 ( -1.208 0.000 0.297) 1.244 5.992 ( -1.651 0.000 0.880) 1.871 6.008 ( 0.289 0.000 -0.948) 0.991 6.182 ( -2.780 0.000 -0.338) 2.800 9.695 ( 2.710 0.000 0.173) 2.716 9.766 ( 0.244 0.000 -1.350) 1.372 9.919 ( -1.665 0.000 10.624) 10.754 9.988 ( 1.098 0.000 -1.126) 1.573 10.002 ( 2.215 0.000 0.002) 2.215 10.136 ( -1.920 0.000 -3.395) 3.900 10.433 ( -7.713 0.000 9.430) 12.182 10.633 ( -3.796 0.000 1.919) 4.253 10.763 ( -0.742 0.000 0.599) 0.954 10.818 ( -2.491 0.000 0.336) 2.513 10.918 ( 3.216 0.000 0.390) 3.240 10.968 ( 2.554 0.000 -2.769) 3.767======================= Grid point 2 (3/76) =======================q-point: ( 0.22 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.550 ( 10.875 0.000 7.982) 13.490 0.649 ( 8.577 0.000 12.183) 14.899 0.982 ( 16.217 0.000 4.268) 16.769 1.087 ( 3.613 0.000 -6.338) 7.295 1.136 ( 1.965 0.000 -10.237) 10.424 1.329 ( 6.266 0.000 3.160) 7.018 1.360 ( 3.837 0.000 -1.827) 4.250 1.424 ( 2.817 0.000 -0.821) 2.934 1.483 ( 0.366 0.000 -0.086) 0.376 1.514 ( 0.777 0.000 0.105) 0.784 1.647 ( 8.541 0.000 3.793) 9.345 1.712 ( 6.168 0.000 -3.132) 6.917 1.869 ( 9.798 0.000 -2.510) 10.114 1.870 ( 7.643 0.000 5.656) 9.509 1.988 ( 2.743 0.000 3.133) 4.164 2.038 ( 9.924 0.000 0.458) 9.935 2.078 ( 7.538 0.000 1.584) 7.702 2.208 ( 7.824 0.000 1.491) 7.965 2.309 ( 11.655 0.000 3.840) 12.271 2.386 ( 9.663 0.000 0.852) 9.701 2.490 ( 17.504 0.000 -4.720) 18.129 2.543 ( 12.298 0.000 4.118) 12.969 2.690 ( 1.492 0.000 -8.182) 8.317 2.695 ( 13.371 0.000 1.426) 13.447 2.873 ( 1.480 0.000 0.277) 1.506 2.924 ( -0.209 0.000 -5.980) 5.984 2.987 ( -0.967 0.000 -0.442) 1.063 3.165 ( -1.916 0.000 -5.589) 5.908 3.251 ( 1.371 0.000 -4.733) 4.927 3.285 ( 5.332 0.000 1.596) 5.565 3.327 ( 4.513 0.000 0.321) 4.525 3.403 ( 1.662 0.000 -1.381) 2.161 3.549 ( 1.255 0.000 6.867) 6.981 3.629 ( 1.692 0.000 6.519) 6.735 3.696 ( 3.884 0.000 -4.908) 6.258 3.777 ( -4.006 0.000 -2.914) 4.954 3.930 ( 0.894 0.000 3.427) 3.542 4.043 ( -5.577 0.000 -0.787) 5.632 4.084 ( -4.474 0.000 -2.656) 5.203 4.143 ( -5.158 0.000 2.770) 5.855 4.241 ( -3.395 0.000 3.363) 4.778 4.248 ( 1.406 0.000 5.257) 5.442 4.417 ( -3.432 0.000 -2.099) 4.023 4.446 ( -2.360 0.000 -2.311) 3.303 4.638 ( -7.171 0.000 -2.161) 7.489 4.705 ( -6.692 0.000 1.587) 6.878 4.756 ( -6.533 0.000 -1.514) 6.706 4.874 ( -1.513 0.000 -0.895) 1.758 5.433 ( -0.941 0.000 -0.292) 0.985 5.439 ( -2.216 0.000 -0.143) 2.221 5.500 ( -2.035 0.000 0.499) 2.095 5.528 ( 0.502 0.000 -2.171) 2.229 5.548 ( -2.624 0.000 -0.605) 2.693 5.595 ( -0.604 0.000 1.000) 1.168 5.600 ( -0.517 0.000 -1.396) 1.489 5.717 ( -1.454 0.000 2.303) 2.723 5.963 ( -2.250 0.000 0.600) 2.329 5.964 ( -1.558 0.000 -0.142) 1.564 5.999 ( -1.266 0.000 0.138) 1.273 6.112 ( -4.465 0.000 -0.599) 4.505 9.738 ( 1.583 0.000 -0.903) 1.822 9.771 ( 1.266 0.000 -0.481) 1.354 9.980 ( 0.271 0.000 -2.955) 2.967 9.981 ( -1.104 0.000 9.268) 9.333 10.047 ( 3.554 0.000 -2.041) 4.098 10.102 ( 1.554 0.000 -2.523) 2.963 10.360 ( -5.805 0.000 2.776) 6.435 10.560 ( -6.187 0.000 2.122) 6.541 10.758 ( -0.424 0.000 0.757) 0.867 10.778 ( -2.087 0.000 -0.332) 2.114 10.976 ( 2.592 0.000 1.060) 2.801 10.995 ( 2.309 0.000 -1.360) 2.680======================= Grid point 3 (4/76) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.786 ( 8.320 0.000 7.063) 10.913 0.846 ( 4.648 0.000 7.430) 8.764 1.027 ( -3.373 0.000 -4.839) 5.899 1.075 ( 1.960 0.000 -6.040) 6.351 1.235 ( 5.978 0.000 4.544) 7.509 1.370 ( -0.449 0.000 -1.841) 1.895 1.420 ( 0.340 0.000 -1.174) 1.222 1.435 ( 0.694 0.000 0.394) 0.798 1.470 ( -0.490 0.000 -1.584) 1.658 1.502 ( 1.123 0.000 -2.073) 2.358 1.774 ( 3.765 0.000 2.338) 4.431 1.801 ( 4.994 0.000 -0.802) 5.058 2.001 ( 2.404 0.000 2.572) 3.521 2.016 ( 8.075 0.000 -1.485) 8.210 2.140 ( 7.063 0.000 9.108) 11.526 2.184 ( 4.973 0.000 3.364) 6.004 2.287 ( 13.948 0.000 -0.260) 13.951 2.395 ( 10.064 0.000 2.497) 10.369 2.539 ( 9.497 0.000 -0.006) 9.497 2.566 ( 9.381 0.000 1.738) 9.541 2.650 ( 2.720 0.000 -7.807) 8.268 2.723 ( 9.777 0.000 -5.757) 11.345 2.816 ( -2.171 0.000 0.755) 2.298 2.827 ( 3.819 0.000 -3.342) 5.075 2.870 ( 16.896 0.000 2.224) 17.042 2.959 ( 7.358 0.000 -4.983) 8.886 3.046 ( 4.195 0.000 2.733) 5.007 3.063 ( -1.198 0.000 -7.221) 7.320 3.339 ( 11.196 0.000 1.129) 11.253 3.397 ( 4.299 0.000 1.944) 4.718 3.431 ( 7.282 0.000 -0.826) 7.329 3.478 ( 7.405 0.000 -0.201) 7.408 3.612 ( -1.202 0.000 5.831) 5.953 3.693 ( -2.053 0.000 -0.810) 2.207 3.697 ( 1.349 0.000 0.074) 1.351 3.715 ( 1.508 0.000 -1.904) 2.429 3.936 ( 0.974 0.000 -2.157) 2.367 3.976 ( -5.126 0.000 -2.982) 5.930 4.025 ( 1.938 0.000 4.137) 4.568 4.058 ( -5.326 0.000 0.002) 5.326 4.221 ( -2.287 0.000 4.694) 5.222 4.281 ( -3.113 0.000 2.399) 3.930 4.317 ( -6.087 0.000 -2.001) 6.408 4.409 ( 0.761 0.000 -0.181) 0.782 4.458 ( -10.880 0.000 -1.913) 11.047 4.587 ( -8.606 0.000 2.067) 8.850 4.610 ( -8.027 0.000 -1.151) 8.109 4.813 ( -3.752 0.000 -2.130) 4.314 5.397 ( -2.324 0.000 -0.329) 2.347 5.410 ( -1.309 0.000 -0.224) 1.328 5.464 ( -2.396 0.000 0.500) 2.448 5.493 ( -2.624 0.000 -0.677) 2.710 5.524 ( -0.070 0.000 -0.435) 0.441 5.579 ( -0.547 0.000 -1.130) 1.255 5.598 ( 0.159 0.000 1.125) 1.136 5.707 ( -1.569 0.000 1.900) 2.465 5.929 ( -2.083 0.000 1.052) 2.334 5.940 ( -0.952 0.000 -0.228) 0.979 5.964 ( -2.670 0.000 0.236) 2.680 6.026 ( -4.303 0.000 -0.995) 4.417 9.724 ( -0.899 0.000 -2.432) 2.593 9.799 ( 1.801 0.000 0.382) 1.841 9.977 ( 1.486 0.000 -2.220) 2.671 10.010 ( -3.097 0.000 5.907) 6.670 10.089 ( 3.167 0.000 -2.262) 3.892 10.131 ( 2.924 0.000 -0.829) 3.039 10.297 ( -2.817 0.000 1.373) 3.133 10.465 ( -5.902 0.000 1.273) 6.037 10.742 ( -1.333 0.000 -0.758) 1.534 10.762 ( 0.245 0.000 0.580) 0.630 11.022 ( 1.508 0.000 1.014) 1.817 11.022 ( 1.650 0.000 -0.694) 1.790======================= Grid point 4 (5/76) =======================q-point: ( 0.44 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( -1.700 0.000 -0.047) 1.701 0.938 ( 1.450 0.000 2.300) 2.720 1.016 ( 3.854 0.000 2.320) 4.498 1.073 ( 1.209 0.000 -1.844) 2.204 1.321 ( 0.788 0.000 2.798) 2.907 1.333 ( -1.221 0.000 -1.179) 1.697 1.338 ( -2.751 0.000 -3.984) 4.841 1.453 ( 0.129 0.000 -1.310) 1.316 1.464 ( -0.100 0.000 1.361) 1.364 1.531 ( 1.880 0.000 -0.498) 1.945 1.831 ( 1.181 0.000 0.972) 1.530 1.854 ( 1.442 0.000 0.005) 1.442 2.043 ( 0.894 0.000 0.870) 1.248 2.117 ( 3.909 0.000 -0.830) 3.996 2.257 ( -0.046 0.000 4.000) 4.000 2.309 ( 3.531 0.000 7.435) 8.231 2.457 ( 5.190 0.000 -4.316) 6.750 2.546 ( 5.589 0.000 -3.710) 6.709 2.608 ( 4.221 0.000 -3.894) 5.743 2.656 ( -1.137 0.000 1.873) 2.191 2.700 ( 2.890 0.000 1.551) 3.280 2.737 ( 2.290 0.000 -0.782) 2.420 2.779 ( -1.266 0.000 1.024) 1.628 2.865 ( -1.933 0.000 -2.665) 3.292 2.979 ( 3.388 0.000 -4.477) 5.614 3.081 ( 3.948 0.000 -1.325) 4.164 3.127 ( 2.806 0.000 0.249) 2.817 3.192 ( 11.496 0.000 6.803) 13.358 3.425 ( -1.279 0.000 -5.391) 5.541 3.551 ( 6.794 0.000 0.031) 6.794 3.558 ( 6.643 0.000 1.099) 6.734 3.605 ( 8.100 0.000 -2.837) 8.583 3.645 ( -4.203 0.000 0.076) 4.203 3.654 ( 3.500 0.000 4.725) 5.880 3.677 ( -3.301 0.000 0.510) 3.341 3.742 ( 1.103 0.000 0.382) 1.168 3.885 ( -2.037 0.000 -0.278) 2.056 3.981 ( -2.400 0.000 -0.025) 2.400 3.995 ( 4.266 0.000 -1.135) 4.415 4.102 ( 3.478 0.000 0.352) 3.496 4.194 ( -3.971 0.000 -1.186) 4.144 4.208 ( -2.808 0.000 -2.458) 3.732 4.232 ( -1.877 0.000 3.823) 4.258 4.235 ( -10.437 0.000 -0.323) 10.442 4.453 ( -5.310 0.000 0.460) 5.330 4.466 ( 2.138 0.000 1.966) 2.904 4.491 ( -4.965 0.000 0.264) 4.972 4.728 ( -2.957 0.000 -1.830) 3.477 5.356 ( -1.442 0.000 -0.450) 1.510 5.390 ( -0.583 0.000 -0.188) 0.613 5.433 ( -1.181 0.000 0.283) 1.214 5.459 ( -0.792 0.000 -0.107) 0.800 5.516 ( -0.321 0.000 -0.111) 0.340 5.567 ( -0.130 0.000 -0.392) 0.413 5.614 ( 0.508 0.000 0.616) 0.798 5.697 ( -0.714 0.000 0.681) 0.987 5.917 ( -0.271 0.000 1.360) 1.387 5.923 ( -1.414 0.000 -0.208) 1.430 5.928 ( -0.445 0.000 0.147) 0.469 5.955 ( -2.374 0.000 -1.320) 2.716 9.695 ( -0.392 0.000 -1.130) 1.196 9.831 ( 1.131 0.000 0.319) 1.175 9.979 ( 0.286 0.000 -0.996) 1.036 9.986 ( -2.071 0.000 1.282) 2.436 10.115 ( 0.965 0.000 -0.363) 1.031 10.179 ( 2.153 0.000 0.060) 2.154 10.281 ( -0.378 0.000 0.565) 0.680 10.388 ( -3.004 0.000 0.316) 3.021 10.722 ( -0.402 0.000 -0.394) 0.563 10.771 ( 0.250 0.000 0.217) 0.331 11.038 ( 0.594 0.000 -0.212) 0.630 11.045 ( 0.479 0.000 0.400) 0.624======================= Grid point 9 (6/76) =======================q-point: ( 0.00 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.264 ( 0.000 13.651 0.000) 13.651 0.359 ( 0.000 18.863 0.000) 18.863 0.500 ( 0.000 24.495 0.000) 24.495 0.906 ( 0.000 0.332 0.000) 0.332 1.087 ( 0.000 0.736 0.000) 0.736 1.113 ( 0.000 1.170 0.000) 1.170 1.212 ( 0.000 -4.889 0.000) 4.889 1.216 ( 0.000 -2.776 0.000) 2.776 1.340 ( 0.000 -3.718 0.000) 3.718 1.416 ( 0.000 -4.212 0.000) 4.212 1.454 ( 0.000 -3.392 0.000) 3.392 1.514 ( 0.000 -3.691 0.000) 3.691 1.686 ( 0.000 -2.009 0.000) 2.009 1.698 ( 0.000 -2.629 0.000) 2.629 1.927 ( 0.000 5.770 0.000) 5.770 1.939 ( 0.000 -4.393 0.000) 4.393 1.979 ( 0.000 0.965 0.000) 0.965 1.991 ( 0.000 -2.073 0.000) 2.073 2.129 ( 0.000 1.155 0.000) 1.155 2.256 ( 0.000 3.661 0.000) 3.661 2.274 ( 0.000 2.910 0.000) 2.910 2.326 ( 0.000 9.395 0.000) 9.395 2.454 ( 0.000 3.840 0.000) 3.840 2.751 ( 0.000 -3.015 0.000) 3.015 2.816 ( 0.000 1.726 0.000) 1.726 2.906 ( 0.000 -6.331 0.000) 6.331 2.975 ( 0.000 -1.677 0.000) 1.677 3.188 ( 0.000 -1.659 0.000) 1.659 3.239 ( 0.000 0.330 0.000) 0.330 3.286 ( 0.000 -2.635 0.000) 2.635 3.367 ( 0.000 -2.554 0.000) 2.554 3.428 ( 0.000 -0.755 0.000) 0.755 3.457 ( 0.000 2.291 0.000) 2.291 3.618 ( 0.000 9.067 0.000) 9.067 3.646 ( 0.000 -0.459 0.000) 0.459 3.863 ( 0.000 -0.897 0.000) 0.897 3.982 ( 0.000 3.957 0.000) 3.957 4.112 ( 0.000 2.099 0.000) 2.099 4.156 ( 0.000 2.670 0.000) 2.670 4.167 ( 0.000 -0.843 0.000) 0.843 4.228 ( 0.000 -0.051 0.000) 0.051 4.331 ( 0.000 -0.617 0.000) 0.617 4.375 ( 0.000 -1.986 0.000) 1.986 4.470 ( 0.000 -2.535 0.000) 2.535 4.753 ( 0.000 -0.152 0.000) 0.152 4.817 ( 0.000 -3.048 0.000) 3.048 4.888 ( 0.000 0.087 0.000) 0.087 4.898 ( 0.000 0.853 0.000) 0.853 5.435 ( 0.000 -0.781 0.000) 0.781 5.462 ( 0.000 -2.235 0.000) 2.235 5.511 ( 0.000 0.690 0.000) 0.690 5.551 ( 0.000 1.437 0.000) 1.437 5.597 ( 0.000 -0.026 0.000) 0.026 5.637 ( 0.000 1.305 0.000) 1.305 5.708 ( 0.000 -1.192 0.000) 1.192 5.730 ( 0.000 -0.463 0.000) 0.463 5.967 ( 0.000 -0.954 0.000) 0.954 5.994 ( 0.000 -0.581 0.000) 0.581 6.032 ( 0.000 2.519 0.000) 2.519 6.333 ( 0.000 -2.513 0.000) 2.513 9.677 ( 0.000 -0.610 0.000) 0.610 9.770 ( 0.000 -0.394 0.000) 0.394 9.882 ( 0.000 -1.302 0.000) 1.302 9.958 ( 0.000 -2.278 0.000) 2.278 10.026 ( 0.000 3.834 0.000) 3.834 10.188 ( 0.000 1.597 0.000) 1.597 10.260 ( 0.000 -2.656 0.000) 2.656 10.623 ( 0.000 -4.761 0.000) 4.761 10.785 ( 0.000 1.557 0.000) 1.557 10.864 ( 0.000 -0.210 0.000) 0.210 10.884 ( 0.000 0.986 0.000) 0.986 10.968 ( 0.000 -0.673 0.000) 0.673======================= Grid point 10 (7/76) =======================q-point: ( 0.11 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.417 ( 9.938 12.881 -1.579) 16.345 0.531 ( 10.700 11.633 8.229) 17.820 0.690 ( 17.151 14.022 7.001) 23.233 1.008 ( 10.767 1.296 -6.666) 12.729 1.163 ( 5.273 -1.648 -2.941) 6.258 1.182 ( 5.437 0.092 0.191) 5.441 1.221 ( 7.886 -2.644 -3.310) 8.951 1.301 ( 4.967 -5.240 2.843) 7.760 1.390 ( 4.252 -2.704 1.679) 5.312 1.439 ( 2.895 -2.696 0.823) 4.041 1.484 ( 1.627 -2.612 4.338) 5.318 1.575 ( 8.303 -3.477 -2.804) 9.428 1.696 ( -0.187 -2.018 2.172) 2.971 1.772 ( 7.071 -1.850 3.846) 8.259 1.904 ( 3.084 -2.717 -2.817) 4.983 1.950 ( 1.579 3.249 1.756) 4.017 2.036 ( 5.515 6.323 -0.418) 8.400 2.150 ( 9.863 -1.427 3.211) 10.471 2.198 ( 5.543 1.495 1.735) 5.998 2.218 ( 0.901 4.790 -4.060) 6.343 2.265 ( 6.655 2.039 -3.440) 7.764 2.408 ( 5.264 6.257 4.653) 9.409 2.510 ( 4.962 1.097 0.855) 5.153 2.729 ( 1.162 -0.969 -6.597) 6.769 2.830 ( -0.300 -0.495 6.237) 6.264 2.908 ( 1.251 -5.243 -6.411) 8.376 2.984 ( 0.933 -1.769 1.949) 2.792 3.145 ( -0.494 -2.605 -5.248) 5.880 3.259 ( -2.610 -0.812 0.293) 2.749 3.290 ( 3.894 1.110 0.340) 4.064 3.303 ( -0.180 -0.741 -5.608) 5.659 3.429 ( 0.390 -2.050 1.476) 2.556 3.479 ( -0.661 4.440 -1.215) 4.650 3.633 ( -0.808 6.120 6.704) 9.113 3.676 ( 3.057 0.216 0.058) 3.065 3.840 ( -2.240 -1.306 -1.119) 2.824 3.948 ( -1.133 5.135 -0.279) 5.266 4.112 ( -3.181 -2.268 -2.674) 4.734 4.146 ( -1.606 -1.526 3.538) 4.175 4.189 ( -0.949 2.222 6.514) 6.948 4.210 ( -1.643 2.346 -0.990) 3.030 4.306 ( -1.955 0.783 0.185) 2.114 4.407 ( 0.887 -5.279 -1.478) 5.554 4.462 ( -2.323 -2.577 2.614) 4.344 4.726 ( -2.843 -0.515 -1.020) 3.064 4.797 ( -3.322 -2.410 1.183) 4.272 4.846 ( -3.973 0.507 0.595) 4.049 4.865 ( -2.059 -0.331 -1.077) 2.347 5.427 ( -1.090 -1.457 0.188) 1.829 5.454 ( -1.081 -1.640 0.517) 2.031 5.523 ( 0.984 0.047 -0.661) 1.186 5.545 ( -0.566 1.485 -0.177) 1.600 5.583 ( -0.536 -0.145 -1.313) 1.425 5.628 ( -1.069 1.403 -0.189) 1.774 5.679 ( -1.694 2.506 -2.659) 4.027 5.712 ( -0.854 -1.082 1.219) 1.840 5.967 ( -1.124 -1.598 -0.066) 1.955 5.985 ( -0.662 -0.702 -0.291) 1.008 6.033 ( -0.032 2.726 0.288) 2.742 6.246 ( -4.319 2.544 -3.993) 6.408 9.694 ( 2.517 -0.741 0.113) 2.626 9.765 ( 0.832 -0.414 -2.080) 2.278 9.912 ( 0.535 -1.211 5.200) 5.365 9.965 ( 0.718 -3.424 -0.549) 3.542 9.999 ( -3.495 3.324 1.831) 5.159 10.108 ( -0.152 -0.087 -1.054) 1.069 10.368 ( 0.012 -3.874 3.362) 5.129 10.602 ( -3.664 -4.327 2.482) 6.189 10.775 ( -0.993 1.315 0.983) 1.919 10.844 ( -2.180 1.033 -0.459) 2.455 10.923 ( 2.852 0.514 0.225) 2.906 10.979 ( 2.471 0.101 -2.239) 3.336======================= Grid point 11 (8/76) =======================q-point: ( 0.22 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.604 ( 10.520 6.759 1.897) 12.647 0.747 ( 5.309 7.614 10.915) 14.328 1.015 ( 7.809 1.583 -0.245) 7.972 1.078 ( 5.836 2.866 -2.710) 7.044 1.158 ( 4.115 -0.082 -6.126) 7.380 1.311 ( 3.463 -3.555 -0.377) 4.978 1.339 ( 4.298 -0.281 1.762) 4.654 1.409 ( 5.259 -3.068 -0.290) 6.095 1.463 ( 2.356 0.453 0.598) 2.472 1.519 ( 4.430 0.685 0.314) 4.493 1.601 ( 6.794 -4.142 4.965) 9.379 1.689 ( 5.603 -2.417 -3.400) 6.986 1.790 ( 8.579 -2.872 3.594) 9.735 1.935 ( 7.715 -0.589 3.496) 8.491 1.998 ( 7.123 -0.206 -0.537) 7.146 2.050 ( 8.778 4.712 2.088) 10.180 2.152 ( 7.469 7.251 -1.096) 10.467 2.252 ( 7.717 3.688 0.673) 8.580 2.322 ( 8.525 1.883 4.130) 9.658 2.386 ( 10.378 -0.865 2.730) 10.766 2.448 ( 14.520 -2.846 -5.051) 15.634 2.592 ( 13.778 3.390 1.650) 14.285 2.665 ( 11.220 -1.651 1.572) 11.450 2.700 ( 2.371 1.196 -6.866) 7.362 2.846 ( 0.014 -6.743 -8.463) 10.821 2.898 ( 1.443 0.313 2.054) 2.530 3.007 ( 1.136 0.948 1.902) 2.410 3.104 ( 0.007 -3.576 -4.205) 5.520 3.241 ( 1.621 -0.139 -1.987) 2.568 3.302 ( 3.261 0.899 0.403) 3.407 3.375 ( 6.466 1.506 -2.050) 6.948 3.429 ( -1.384 4.546 -3.012) 5.627 3.472 ( 2.510 -4.976 2.899) 6.283 3.672 ( 1.080 2.145 2.579) 3.524 3.748 ( 0.889 1.751 0.920) 2.169 3.782 ( -0.732 1.828 0.279) 1.989 3.938 ( -0.827 1.533 0.621) 1.850 4.012 ( -5.620 -2.493 -0.884) 6.212 4.116 ( -4.996 -0.311 4.014) 6.416 4.126 ( -4.881 2.718 -1.616) 5.816 4.249 ( 0.037 0.616 2.023) 2.115 4.278 ( -2.194 1.635 4.972) 5.674 4.372 ( -1.566 -3.844 -4.121) 5.849 4.425 ( -2.546 -1.984 -0.499) 3.266 4.633 ( -6.980 -0.127 -0.828) 7.030 4.715 ( -6.672 0.062 1.461) 6.831 4.753 ( -6.651 -0.212 -1.000) 6.729 4.830 ( -2.401 -3.385 0.584) 4.191 5.402 ( -1.985 -1.894 0.575) 2.803 5.434 ( -1.824 -1.068 0.882) 2.290 5.516 ( -1.604 1.165 0.089) 1.985 5.533 ( 0.464 0.776 -2.085) 2.273 5.570 ( -0.046 -0.271 -0.478) 0.551 5.593 ( -2.555 2.310 -0.348) 3.461 5.633 ( -1.589 1.719 -1.373) 2.714 5.710 ( -1.315 -1.017 2.387) 2.909 5.936 ( -1.999 -1.663 -0.110) 2.602 5.962 ( -1.414 -0.509 -0.379) 1.550 6.026 ( -1.256 2.525 0.147) 2.824 6.143 ( -4.821 2.344 -1.963) 5.708 9.742 ( 2.149 -0.158 -1.274) 2.503 9.783 ( 2.486 0.113 -0.217) 2.498 9.920 ( -3.281 -4.103 -0.031) 5.254 9.965 ( -0.194 -1.755 5.153) 5.447 10.005 ( 2.872 -1.159 -0.766) 3.191 10.138 ( 3.025 2.809 -0.460) 4.153 10.338 ( -3.498 -2.348 -0.159) 4.216 10.537 ( -5.836 -3.204 2.372) 7.068 10.768 ( -0.822 0.966 0.806) 1.503 10.795 ( -2.191 1.439 -0.720) 2.718 10.973 ( 2.433 -0.102 0.518) 2.490 11.008 ( 2.201 0.638 -1.241) 2.606======================= Grid point 12 (9/76) =======================q-point: ( 0.33 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.796 ( 8.395 1.631 3.448) 9.221 0.892 ( 2.957 3.185 6.365) 7.707 0.983 ( -3.686 -1.857 -1.578) 4.419 1.107 ( 2.030 2.900 -5.478) 6.522 1.241 ( 2.037 -1.032 0.569) 2.353 1.333 ( 0.026 -3.544 -0.991) 3.680 1.393 ( 0.945 -1.269 1.740) 2.352 1.473 ( 3.142 3.307 -0.325) 4.574 1.491 ( 1.684 3.342 -0.869) 3.842 1.554 ( -0.103 3.874 -0.014) 3.876 1.740 ( 4.293 -3.232 2.735) 6.030 1.763 ( 4.217 -3.933 -0.333) 5.776 1.957 ( 7.751 -1.881 1.760) 8.167 2.076 ( 3.452 2.887 -1.148) 4.644 2.129 ( 7.082 -1.061 7.909) 10.669 2.226 ( 4.394 4.095 3.000) 6.714 2.305 ( 11.756 2.174 0.939) 11.992 2.435 ( 11.341 3.536 -1.124) 11.932 2.503 ( 8.636 -2.437 -0.937) 9.022 2.582 ( 8.788 -0.029 2.167) 9.052 2.629 ( 8.453 -4.453 -4.294) 10.475 2.690 ( 3.111 1.281 -6.612) 7.419 2.782 ( 2.562 -2.320 -0.560) 3.502 2.857 ( -1.230 0.679 -2.403) 2.783 2.895 ( 9.957 -4.130 -2.325) 11.027 2.910 ( 15.466 2.960 -0.322) 15.750 3.046 ( -0.151 2.170 0.837) 2.331 3.127 ( 6.808 1.878 -1.545) 7.230 3.321 ( 8.337 0.343 -1.684) 8.512 3.374 ( 3.529 -2.601 2.688) 5.143 3.437 ( 5.220 -0.237 0.311) 5.234 3.492 ( 5.977 -0.439 -0.081) 5.993 3.560 ( 5.896 -0.833 0.762) 6.003 3.667 ( -0.261 -0.472 -3.482) 3.524 3.751 ( 0.992 3.785 1.834) 4.321 3.831 ( 1.671 6.664 -0.421) 6.883 3.883 ( -2.347 -2.311 -1.553) 3.642 3.969 ( -1.793 -4.396 3.454) 5.871 4.000 ( -7.086 -0.064 -0.750) 7.126 4.075 ( -1.856 1.602 1.192) 2.726 4.220 ( -2.910 -0.551 2.263) 3.728 4.279 ( -3.675 -0.704 1.608) 4.073 4.292 ( -4.766 -1.012 -2.047) 5.284 4.404 ( 0.863 -0.635 0.159) 1.083 4.468 ( -10.746 1.054 -0.661) 10.817 4.599 ( -8.557 1.026 1.208) 8.702 4.612 ( -6.884 -0.108 -0.287) 6.891 4.774 ( -4.057 -3.781 -0.494) 5.568 5.371 ( -2.111 -1.665 0.433) 2.723 5.405 ( -2.009 -0.955 0.757) 2.350 5.483 ( -2.017 1.664 0.211) 2.623 5.512 ( -0.773 1.313 -3.012) 3.376 5.548 ( -2.172 2.003 0.805) 3.062 5.569 ( 0.350 -0.110 -0.685) 0.777 5.607 ( -0.703 0.308 0.340) 0.839 5.702 ( -1.543 -0.743 1.866) 2.532 5.901 ( -1.723 -1.599 0.089) 2.353 5.936 ( -1.226 -0.521 -0.165) 1.342 5.992 ( -2.420 2.242 0.042) 3.300 6.047 ( -4.477 1.771 -1.013) 4.920 9.739 ( -0.347 1.075 -2.815) 3.034 9.814 ( 0.959 1.809 0.821) 2.206 9.917 ( 2.029 -6.175 0.734) 6.541 9.975 ( -1.741 -2.036 1.934) 3.304 10.058 ( 2.573 -1.505 0.693) 3.060 10.181 ( 1.970 3.411 -0.412) 3.960 10.274 ( -2.575 -2.570 -1.468) 3.923 10.455 ( -4.793 -1.376 1.682) 5.263 10.748 ( -1.155 0.613 -0.680) 1.474 10.775 ( -0.353 1.053 0.564) 1.246 11.014 ( 1.760 -0.251 0.366) 1.816 11.032 ( 1.245 0.375 -0.345) 1.345======================= Grid point 13 (10/76) =======================q-point: ( 0.44 0.17 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.879 ( -2.207 0.019 0.186) 2.215 0.944 ( 2.040 -3.756 2.814) 5.118 0.994 ( 4.372 1.035 0.485) 4.519 1.092 ( -1.563 3.437 -0.678) 3.836 1.236 ( 0.479 -0.751 -2.856) 2.992 1.308 ( -1.354 -2.934 -0.505) 3.271 1.410 ( -0.343 0.130 1.265) 1.318 1.505 ( 0.672 6.182 -0.356) 6.229 1.515 ( 0.703 3.700 1.105) 3.925 1.550 ( 0.435 2.981 -0.874) 3.136 1.802 ( 1.558 -4.568 0.291) 4.835 1.813 ( 0.943 -2.662 1.165) 3.055 2.052 ( 1.688 0.933 0.513) 1.996 2.138 ( 3.912 1.844 -0.814) 4.401 2.252 ( -1.020 -1.045 4.161) 4.410 2.291 ( 2.779 -1.953 4.194) 5.397 2.473 ( 5.083 1.261 -1.608) 5.478 2.564 ( 5.726 1.831 -5.245) 7.978 2.606 ( 4.840 -0.310 -2.585) 5.496 2.654 ( -1.143 0.457 -1.136) 1.675 2.691 ( 1.865 -2.602 2.053) 3.803 2.708 ( 3.363 -1.650 -0.645) 3.801 2.816 ( -1.992 3.001 1.684) 3.976 2.829 ( -0.475 -1.086 -0.141) 1.194 2.959 ( 3.170 -1.144 -3.408) 4.792 3.062 ( 5.725 -0.679 -0.646) 5.801 3.187 ( 2.700 3.224 1.460) 4.451 3.229 ( 5.448 2.742 2.556) 6.614 3.401 ( 4.516 -0.929 -4.184) 6.226 3.509 ( 6.933 -1.691 1.366) 7.265 3.551 ( 5.548 -2.875 1.208) 6.365 3.564 ( 3.636 -2.695 0.275) 4.534 3.666 ( 1.029 1.356 -0.217) 1.716 3.696 ( -0.156 2.793 -0.249) 2.808 3.736 ( 0.047 6.139 -1.474) 6.313 3.775 ( -2.400 1.453 0.480) 2.847 3.876 ( 0.976 -2.966 1.333) 3.395 3.942 ( -3.097 -0.592 -0.735) 3.237 3.989 ( 5.903 -1.386 -1.287) 6.199 4.077 ( 0.218 -4.258 1.200) 4.429 4.164 ( -5.134 -0.013 -0.863) 5.206 4.204 ( -3.054 -0.142 -0.249) 3.068 4.235 ( -1.074 0.711 2.560) 2.866 4.269 ( -8.627 2.722 -0.744) 9.077 4.398 ( -2.594 -3.266 -0.417) 4.192 4.463 ( -5.118 1.037 0.388) 5.237 4.561 ( -0.195 2.740 1.814) 3.292 4.695 ( -3.105 -3.424 -1.265) 4.792 5.336 ( -1.496 -1.364 -0.020) 2.025 5.387 ( -0.611 -0.384 0.258) 0.766 5.456 ( -0.912 1.886 0.030) 2.095 5.479 ( -0.654 1.578 -0.869) 1.917 5.528 ( -0.718 0.985 0.202) 1.236 5.568 ( 0.178 0.319 -0.465) 0.592 5.610 ( 0.152 -0.609 0.509) 0.808 5.690 ( -0.821 -0.865 0.657) 1.362 5.881 ( -0.634 -1.506 0.050) 1.635 5.919 ( -0.655 -0.531 0.103) 0.849 5.961 ( -0.694 2.018 0.153) 2.139 5.979 ( -2.371 1.741 -0.593) 3.000 9.710 ( -0.448 1.552 -1.267) 2.053 9.842 ( 1.098 1.109 0.528) 1.647 9.941 ( -1.469 -3.798 1.102) 4.219 9.964 ( 1.060 -1.801 -0.452) 2.138 10.094 ( 0.931 -1.588 0.261) 1.859 10.199 ( 0.071 -2.602 0.637) 2.680 10.233 ( -0.536 0.331 -1.426) 1.559 10.409 ( -1.581 0.836 0.687) 1.915 10.731 ( -0.295 0.856 -0.337) 0.966 10.776 ( -0.012 0.411 0.236) 0.474 11.038 ( 0.735 -0.069 -0.025) 0.739 11.045 ( 0.299 -0.046 0.121) 0.326======================= Grid point 18 (11/76) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.502 ( 0.000 11.830 0.000) 11.830 0.689 ( 0.000 15.986 0.000) 15.986 0.785 ( 0.000 2.226 0.000) 2.226 0.998 ( 0.000 9.484 0.000) 9.484 1.082 ( 0.000 -1.698 0.000) 1.698 1.088 ( 0.000 -8.592 0.000) 8.592 1.143 ( 0.000 4.045 0.000) 4.045 1.143 ( 0.000 -0.492 0.000) 0.492 1.301 ( 0.000 -1.845 0.000) 1.845 1.357 ( 0.000 -5.571 0.000) 5.571 1.370 ( 0.000 -1.044 0.000) 1.044 1.425 ( 0.000 -5.544 0.000) 5.544 1.656 ( 0.000 -2.118 0.000) 2.118 1.693 ( 0.000 0.245 0.000) 0.245 1.829 ( 0.000 -3.439 0.000) 3.439 1.939 ( 0.000 -3.074 0.000) 3.074 1.989 ( 0.000 1.160 0.000) 1.160 2.000 ( 0.000 0.290 0.000) 0.290 2.209 ( 0.000 6.712 0.000) 6.712 2.323 ( 0.000 2.894 0.000) 2.894 2.324 ( 0.000 2.362 0.000) 2.362 2.504 ( 0.000 8.088 0.000) 8.088 2.510 ( 0.000 -0.449 0.000) 0.449 2.690 ( 0.000 -3.019 0.000) 3.019 2.780 ( 0.000 -4.760 0.000) 4.760 2.832 ( 0.000 -0.504 0.000) 0.504 2.975 ( 0.000 2.362 0.000) 2.362 3.135 ( 0.000 -3.706 0.000) 3.706 3.245 ( 0.000 0.130 0.000) 0.130 3.262 ( 0.000 -0.597 0.000) 0.597 3.363 ( 0.000 1.682 0.000) 1.682 3.420 ( 0.000 0.994 0.000) 0.994 3.435 ( 0.000 -3.050 0.000) 3.050 3.626 ( 0.000 -4.099 0.000) 4.099 3.789 ( 0.000 8.427 0.000) 8.427 3.866 ( 0.000 2.277 0.000) 2.277 4.067 ( 0.000 2.921 0.000) 2.921 4.089 ( 0.000 -2.806 0.000) 2.806 4.159 ( 0.000 0.654 0.000) 0.654 4.212 ( 0.000 3.693 0.000) 3.693 4.280 ( 0.000 3.942 0.000) 3.942 4.315 ( 0.000 -1.163 0.000) 1.163 4.342 ( 0.000 -1.187 0.000) 1.187 4.396 ( 0.000 -5.423 0.000) 5.423 4.749 ( 0.000 -0.345 0.000) 0.345 4.764 ( 0.000 -2.255 0.000) 2.255 4.888 ( 0.000 -0.019 0.000) 0.019 4.902 ( 0.000 -0.308 0.000) 0.308 5.416 ( 0.000 -1.011 0.000) 1.011 5.424 ( 0.000 -1.663 0.000) 1.663 5.529 ( 0.000 1.164 0.000) 1.164 5.564 ( 0.000 -0.154 0.000) 0.154 5.604 ( 0.000 1.033 0.000) 1.033 5.664 ( 0.000 0.807 0.000) 0.807 5.677 ( 0.000 -1.324 0.000) 1.324 5.717 ( 0.000 -0.872 0.000) 0.872 5.959 ( 0.000 0.087 0.000) 0.087 5.981 ( 0.000 -0.803 0.000) 0.803 6.093 ( 0.000 4.022 0.000) 4.022 6.267 ( 0.000 -4.360 0.000) 4.360 9.677 ( 0.000 0.904 0.000) 0.904 9.753 ( 0.000 -1.675 0.000) 1.675 9.868 ( 0.000 -0.158 0.000) 0.158 9.909 ( 0.000 -2.491 0.000) 2.491 10.093 ( 0.000 2.963 0.000) 2.963 10.201 ( 0.000 -3.395 0.000) 3.395 10.247 ( 0.000 4.962 0.000) 4.962 10.506 ( 0.000 -7.374 0.000) 7.374 10.817 ( 0.000 1.736 0.000) 1.736 10.858 ( 0.000 -0.434 0.000) 0.434 10.906 ( 0.000 1.271 0.000) 1.271 10.952 ( 0.000 -1.052 0.000) 1.052======================= Grid point 19 (12/76) =======================q-point: ( 0.11 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.658 ( 10.157 11.874 -0.909) 15.651 0.744 ( 7.933 11.451 0.187) 13.931 0.917 ( 9.350 4.901 5.016) 11.688 1.063 ( 3.862 1.096 -2.906) 4.955 1.100 ( 2.673 -2.932 -4.797) 6.225 1.141 ( 10.698 -3.221 1.139) 11.231 1.183 ( 3.971 -0.603 -0.791) 4.093 1.230 ( 7.460 1.892 2.864) 8.212 1.339 ( 5.577 -2.906 -3.801) 7.348 1.412 ( -0.119 -3.586 7.235) 8.076 1.427 ( 6.507 -0.392 3.065) 7.203 1.502 ( 9.055 -3.893 -0.617) 9.876 1.661 ( 0.363 -1.766 2.125) 2.787 1.748 ( 3.877 -3.697 2.002) 5.719 1.855 ( 5.844 2.355 1.674) 6.519 1.996 ( 4.812 -0.804 3.474) 5.989 2.095 ( 12.142 0.375 -1.394) 12.227 2.138 ( 11.262 0.329 0.450) 11.276 2.245 ( 4.791 4.420 -1.411) 6.670 2.309 ( 0.617 4.525 -1.379) 4.770 2.323 ( 0.459 2.901 0.263) 2.949 2.515 ( 2.244 1.535 -0.058) 2.719 2.545 ( 3.167 3.336 0.897) 4.686 2.698 ( 1.561 -2.297 -2.148) 3.511 2.757 ( 0.867 -4.486 -4.255) 6.244 2.835 ( 0.247 -3.191 -1.467) 3.521 2.982 ( 1.005 2.447 0.889) 2.791 3.109 ( -0.355 -1.864 -4.715) 5.082 3.242 ( -0.107 -0.656 -1.009) 1.208 3.287 ( 2.707 -1.613 1.011) 3.310 3.331 ( 0.204 3.421 -2.275) 4.113 3.401 ( -1.849 -0.389 1.147) 2.210 3.517 ( 3.457 -0.468 3.112) 4.675 3.638 ( 0.965 -3.659 0.813) 3.870 3.764 ( -1.835 6.162 -0.185) 6.432 3.836 ( -3.234 1.457 0.330) 3.563 4.031 ( -1.616 1.206 -1.836) 2.727 4.100 ( -4.250 1.309 -1.228) 4.613 4.129 ( -0.028 0.968 4.587) 4.688 4.223 ( -2.228 1.033 2.470) 3.483 4.279 ( -0.872 3.836 2.213) 4.514 4.290 ( -1.575 -1.541 -1.653) 2.754 4.349 ( 1.078 -0.687 -1.532) 1.995 4.391 ( -1.713 -4.997 2.508) 5.848 4.721 ( -3.179 -0.198 -0.040) 3.186 4.743 ( -2.723 -2.445 0.934) 3.777 4.853 ( -3.921 -0.017 0.306) 3.933 4.861 ( -3.881 -0.251 -0.546) 3.927 5.403 ( -1.497 -0.911 0.489) 1.819 5.423 ( -0.836 -1.603 0.900) 2.020 5.532 ( 0.292 0.852 0.023) 0.901 5.561 ( -0.277 -0.102 -0.116) 0.318 5.592 ( -0.854 1.360 -0.756) 1.775 5.657 ( -0.861 1.603 -0.310) 1.846 5.674 ( -0.500 -2.545 0.698) 2.685 5.697 ( -1.267 -0.204 -1.489) 1.965 5.950 ( -1.441 -0.180 0.410) 1.509 5.970 ( -1.041 -0.839 0.114) 1.342 6.097 ( 0.466 3.982 -0.818) 4.092 6.241 ( -1.552 -2.472 -3.016) 4.197 9.682 ( 1.277 0.125 -0.434) 1.354 9.747 ( 0.783 -1.712 -2.609) 3.218 9.890 ( 0.438 -0.811 3.860) 3.969 9.908 ( -0.439 -2.224 0.656) 2.360 10.097 ( -4.580 5.457 -0.024) 7.124 10.126 ( 2.361 1.654 0.017) 2.883 10.310 ( 1.236 -1.764 0.336) 2.180 10.487 ( -2.749 -7.456 1.447) 8.078 10.806 ( -1.198 1.801 0.696) 2.273 10.850 ( -1.238 -0.207 -0.161) 1.266 10.935 ( 2.375 0.681 -0.131) 2.474 10.967 ( 2.681 -1.037 -1.542) 3.262======================= Grid point 20 (13/76) =======================q-point: ( 0.22 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.773 ( 5.876 10.106 -1.593) 11.798 0.872 ( 2.893 5.737 3.746) 7.438 1.052 ( -0.242 1.215 -0.788) 1.468 1.114 ( 4.518 -0.598 -4.478) 6.389 1.124 ( 4.919 -4.504 0.637) 6.700 1.235 ( 3.154 -3.057 0.812) 4.467 1.346 ( 2.240 3.141 5.031) 6.340 1.405 ( 13.340 2.853 -0.912) 13.672 1.469 ( 7.732 -0.096 1.394) 7.857 1.518 ( 5.664 -3.998 7.002) 9.854 1.547 ( 5.969 1.455 0.347) 6.154 1.624 ( 4.019 -4.198 -1.767) 6.074 1.762 ( 8.108 -0.253 4.058) 9.071 1.870 ( 7.846 -4.768 4.019) 10.022 2.034 ( 10.494 4.421 -0.416) 11.394 2.151 ( 9.708 3.149 1.142) 10.269 2.279 ( 3.738 4.586 0.134) 5.918 2.314 ( 12.537 1.229 -3.745) 13.142 2.343 ( 9.068 -0.615 0.742) 9.119 2.372 ( 4.056 2.671 3.956) 6.264 2.429 ( 12.886 0.910 -3.900) 13.494 2.614 ( 10.094 -1.863 -0.472) 10.275 2.656 ( 8.950 -0.602 -1.312) 9.066 2.711 ( 3.544 -0.768 -1.904) 4.096 2.743 ( 1.953 -1.522 -4.843) 5.439 2.852 ( 3.237 -4.722 0.293) 5.732 3.024 ( 2.432 1.833 -0.214) 3.053 3.077 ( 1.698 0.265 -2.182) 2.778 3.238 ( 0.704 -0.102 0.541) 0.894 3.342 ( 1.719 2.808 -0.182) 3.298 3.373 ( 5.808 -4.393 0.572) 7.304 3.387 ( 1.873 0.133 -2.273) 2.948 3.534 ( -0.732 4.612 -4.301) 6.349 3.682 ( 3.367 -1.992 -0.807) 3.994 3.736 ( -2.460 0.024 0.326) 2.482 3.817 ( 0.752 -0.127 6.170) 6.217 3.974 ( -4.013 1.371 -0.607) 4.283 4.005 ( -5.382 2.578 -0.549) 5.993 4.125 ( -4.811 0.537 1.991) 5.234 4.163 ( -4.876 0.312 -0.092) 4.887 4.246 ( -1.621 -1.568 0.127) 2.259 4.294 ( -1.020 3.066 3.405) 4.694 4.343 ( -1.715 -0.399 0.225) 1.775 4.378 ( -0.051 -2.555 -0.672) 2.642 4.636 ( -6.653 0.406 0.265) 6.670 4.686 ( -5.132 -2.555 1.556) 5.940 4.756 ( -7.111 0.249 -0.022) 7.115 4.781 ( -4.787 -1.765 0.163) 5.105 5.377 ( -2.098 -0.635 1.128) 2.465 5.407 ( -2.103 -1.673 1.522) 3.089 5.532 ( -0.510 0.745 -0.093) 0.907 5.553 ( -0.331 0.293 -0.720) 0.845 5.570 ( -0.618 1.200 -0.702) 1.522 5.632 ( -1.424 1.465 -0.571) 2.121 5.645 ( -2.305 -0.589 -1.373) 2.747 5.680 ( -0.705 -1.646 1.338) 2.235 5.920 ( -2.065 0.003 0.335) 2.092 5.948 ( -1.539 -0.946 0.121) 1.811 6.083 ( -1.208 3.368 -1.259) 3.793 6.168 ( -3.789 -0.076 -2.892) 4.767 9.721 ( 2.880 -1.656 0.075) 3.323 9.747 ( 1.880 -2.382 -2.205) 3.751 9.897 ( -2.286 0.123 2.199) 3.174 9.934 ( 0.284 -1.497 4.140) 4.411 10.041 ( -0.524 4.981 -1.674) 5.281 10.191 ( 3.915 2.061 0.280) 4.433 10.284 ( -2.806 -2.418 -2.009) 4.213 10.443 ( -3.592 -6.363 2.078) 7.597 10.789 ( -1.310 1.245 0.327) 1.837 10.815 ( -2.025 0.438 -0.391) 2.109 10.975 ( 2.328 0.398 0.025) 2.362 11.005 ( 2.484 -0.806 -1.172) 2.863======================= Grid point 21 (14/76) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.828 ( 0.879 1.656 0.569) 1.959 0.916 ( -0.640 0.645 -0.322) 0.964 1.019 ( -1.002 2.463 1.061) 2.863 1.161 ( 0.529 -3.923 -0.052) 3.958 1.182 ( 7.010 3.217 -4.405) 8.882 1.286 ( 0.791 0.194 2.493) 2.623 1.421 ( 1.068 2.690 5.447) 6.168 1.526 ( 0.395 2.072 0.553) 2.181 1.558 ( 3.689 2.254 0.868) 4.410 1.616 ( 1.571 1.117 1.842) 2.666 1.664 ( 3.209 -4.325 -0.287) 5.393 1.694 ( 4.715 -1.146 2.107) 5.290 1.944 ( 9.579 0.601 1.850) 9.774 2.054 ( 7.202 -3.895 3.738) 9.001 2.154 ( 4.976 2.938 -0.961) 5.858 2.290 ( -2.391 -0.755 -0.182) 2.514 2.350 ( 11.112 3.854 0.692) 11.782 2.474 ( 7.574 0.331 -1.015) 7.649 2.494 ( 12.084 0.573 -4.811) 13.019 2.549 ( 7.114 -1.619 2.958) 7.873 2.580 ( 7.874 -0.017 -4.343) 8.992 2.705 ( 3.238 0.312 -3.200) 4.564 2.757 ( 7.013 -1.144 -2.918) 7.682 2.846 ( 3.487 -1.213 1.360) 3.934 2.857 ( 9.812 0.332 1.111) 9.881 2.942 ( 9.115 -0.821 -1.423) 9.262 3.102 ( 1.062 1.538 6.851) 7.102 3.132 ( 10.395 2.408 -3.279) 11.163 3.313 ( 7.296 -1.834 1.215) 7.620 3.375 ( 2.602 2.401 -0.269) 3.551 3.436 ( 4.352 0.193 -1.541) 4.620 3.461 ( 2.112 -1.358 -3.515) 4.320 3.544 ( 9.599 -2.070 -0.746) 9.848 3.660 ( 2.920 -1.589 -6.203) 7.037 3.807 ( 4.657 0.153 1.755) 4.979 3.834 ( -4.975 0.463 1.033) 5.102 3.902 ( -6.265 1.035 0.595) 6.378 3.960 ( 2.745 1.132 3.453) 4.554 4.002 ( -8.673 1.019 1.060) 8.797 4.063 ( -5.191 -2.237 -2.363) 6.127 4.234 ( -1.740 2.448 2.454) 3.878 4.280 ( -2.811 1.003 1.237) 3.231 4.286 ( -4.641 0.111 -0.044) 4.642 4.383 ( 0.137 -1.655 -0.549) 1.749 4.496 ( -9.509 1.972 0.691) 9.736 4.595 ( -5.463 -1.924 0.823) 5.849 4.618 ( -7.998 0.961 0.011) 8.055 4.696 ( -5.366 -3.942 0.850) 6.713 5.350 ( -2.167 -0.411 1.318) 2.569 5.381 ( -1.967 -1.467 1.788) 3.036 5.512 ( -1.479 1.317 0.036) 1.981 5.532 ( -0.376 0.611 -2.945) 3.031 5.559 ( -0.710 0.543 0.075) 0.897 5.599 ( -1.559 1.147 -0.446) 1.986 5.604 ( -1.090 0.178 -0.522) 1.221 5.674 ( -1.394 -2.113 1.575) 2.981 5.890 ( -1.454 0.382 0.280) 1.529 5.924 ( -1.191 -0.817 0.004) 1.444 6.037 ( -2.601 2.388 -1.010) 3.672 6.074 ( -4.326 0.815 -1.498) 4.650 9.745 ( 1.386 -0.284 -1.992) 2.443 9.801 ( 3.700 -4.561 1.045) 5.965 9.872 ( -1.955 3.120 1.852) 4.122 9.951 ( -1.765 -0.858 2.576) 3.238 10.044 ( 1.630 0.661 -0.906) 1.979 10.196 ( -3.802 -4.590 -3.565) 6.945 10.256 ( 2.688 3.678 0.206) 4.561 10.409 ( -1.911 -3.470 1.849) 4.372 10.764 ( -1.123 1.069 -0.458) 1.617 10.789 ( -1.025 0.226 0.378) 1.116 11.013 ( 1.744 0.149 0.151) 1.757 11.031 ( 1.286 -0.462 -0.565) 1.478======================= Grid point 22 (15/76) =======================q-point: ( 0.44 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( 0.092 -3.954 0.456) 3.981 0.863 ( -3.015 -2.914 0.112) 4.194 1.043 ( 1.850 2.644 -0.780) 3.320 1.155 ( -0.480 -0.923 -0.259) 1.072 1.264 ( 3.763 5.556 -2.297) 7.092 1.314 ( 0.208 4.958 3.241) 5.927 1.454 ( -1.108 3.783 1.895) 4.374 1.536 ( 1.510 0.653 -0.582) 1.745 1.575 ( -0.953 1.499 0.252) 1.794 1.631 ( 0.128 -1.515 0.177) 1.531 1.711 ( 1.220 -0.944 0.617) 1.661 1.756 ( 1.189 -3.033 1.254) 3.491 2.078 ( 3.547 1.790 0.190) 3.977 2.159 ( 4.438 -0.507 -0.656) 4.515 2.215 ( -1.304 -1.970 2.851) 3.703 2.235 ( -0.429 -3.599 -1.073) 3.780 2.487 ( 3.633 0.653 -0.252) 3.700 2.586 ( 4.520 -1.577 -1.197) 4.935 2.608 ( 2.675 -1.056 0.176) 2.881 2.632 ( 2.555 -2.335 -1.494) 3.770 2.655 ( 4.922 3.283 -2.777) 6.535 2.732 ( 0.912 3.634 0.674) 3.807 2.800 ( -0.974 -0.730 -0.944) 1.541 2.910 ( 0.576 3.288 3.512) 4.845 2.964 ( 4.122 1.898 -1.713) 4.851 3.057 ( 5.962 -1.030 -2.196) 6.436 3.173 ( 0.497 -1.327 3.612) 3.880 3.283 ( 1.042 1.395 0.499) 1.812 3.420 ( 7.761 2.502 -3.322) 8.805 3.495 ( 9.480 -0.816 1.466) 9.627 3.502 ( 5.566 -1.056 0.220) 5.670 3.531 ( 6.710 -1.145 -0.700) 6.842 3.686 ( -8.939 -1.337 -0.581) 9.058 3.719 ( 3.891 1.045 -1.853) 4.435 3.752 ( 7.164 -3.735 1.926) 8.306 3.786 ( -3.740 -0.552 0.676) 3.840 3.832 ( -5.046 -0.299 -1.666) 5.323 3.896 ( -3.770 -5.946 -1.716) 7.247 3.998 ( 5.190 4.402 -0.142) 6.806 4.056 ( 1.035 2.067 0.698) 2.415 4.184 ( -4.650 1.259 0.442) 4.837 4.207 ( -4.629 0.367 1.243) 4.807 4.254 ( 0.421 1.077 1.322) 1.757 4.319 ( -6.622 0.083 -0.455) 6.638 4.362 ( -3.953 2.004 0.008) 4.432 4.495 ( -4.132 2.505 -0.192) 4.836 4.565 ( 0.370 -2.881 1.790) 3.412 4.615 ( -3.734 -4.260 -0.589) 5.695 5.324 ( -1.295 0.315 0.623) 1.472 5.374 ( -0.387 -1.112 0.908) 1.486 5.491 ( -0.701 1.617 -0.120) 1.766 5.501 ( -0.575 0.724 -1.360) 1.645 5.542 ( -0.670 0.590 -0.384) 0.972 5.585 ( -0.135 1.178 -0.041) 1.187 5.591 ( -0.216 -1.056 -0.071) 1.080 5.661 ( -0.940 -2.160 0.682) 2.452 5.875 ( -0.450 0.744 0.065) 0.872 5.909 ( -0.380 -0.550 -0.031) 0.669 5.995 ( -1.048 1.564 -0.273) 1.902 6.006 ( -2.273 1.052 -0.354) 2.529 9.748 ( 0.429 2.383 -1.026) 2.629 9.863 ( 1.589 -4.082 0.955) 4.484 9.869 ( 0.212 1.717 0.967) 1.981 9.931 ( -1.222 -1.454 0.608) 1.994 10.064 ( 0.681 -1.482 0.074) 1.633 10.108 ( -2.504 -4.620 -2.189) 5.693 10.290 ( 0.978 3.683 0.006) 3.811 10.402 ( -0.356 -1.523 0.731) 1.727 10.750 ( -0.231 1.135 -0.180) 1.173 10.780 ( -0.322 -0.169 0.180) 0.406 11.036 ( 0.758 -0.071 0.079) 0.765 11.042 ( 0.266 -0.275 -0.150) 0.411======================= Grid point 27 (16/76) =======================q-point: ( 0.00 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 38Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.699 ( 0.000 -8.882 0.000) 8.882 0.699 ( 0.000 8.882 0.000) 8.882 0.924 ( 0.000 -9.266 0.000) 9.266 0.924 ( 0.000 9.266 0.000) 9.266 1.073 ( 0.000 -0.349 0.000) 0.349 1.073 ( 0.000 0.349 0.000) 0.349 1.186 ( 0.000 -5.715 0.000) 5.715 1.186 ( 0.000 5.715 0.000) 5.715 1.306 ( 0.000 -7.542 0.000) 7.542 1.306 ( 0.000 7.542 0.000) 7.542 1.349 ( 0.000 -2.143 0.000) 2.143 1.349 ( 0.000 2.143 0.000) 2.143 1.643 ( 0.000 -2.014 0.000) 2.014 1.643 ( 0.000 2.014 0.000) 2.014 1.867 ( 0.000 -4.455 0.000) 4.455 1.867 ( 0.000 4.455 0.000) 4.455 1.999 ( 0.000 -0.244 0.000) 0.244 1.999 ( 0.000 0.244 0.000) 0.244 2.321 ( 0.000 -3.126 0.000) 3.126 2.321 ( 0.000 3.126 0.000) 3.126 2.409 ( 0.000 -7.278 0.000) 7.278 2.409 ( 0.000 7.278 0.000) 7.278 2.617 ( 0.000 -4.621 0.000) 4.621 2.617 ( 0.000 4.621 0.000) 4.621 2.792 ( 0.000 -3.294 0.000) 3.294 2.792 ( 0.000 3.294 0.000) 3.294 3.053 ( 0.000 -5.012 0.000) 5.012 3.053 ( 0.000 5.012 0.000) 5.012 3.250 ( 0.000 -0.572 0.000) 0.572 3.250 ( 0.000 0.572 0.000) 0.572 3.387 ( 0.000 -1.606 0.000) 1.606 3.387 ( 0.000 1.606 0.000) 1.606 3.506 ( 0.000 -7.105 0.000) 7.105 3.506 ( 0.000 7.105 0.000) 7.105 3.894 ( 0.000 -1.656 0.000) 1.656 3.894 ( 0.000 1.656 0.000) 1.656 4.057 ( 0.000 -0.446 0.000) 0.446 4.057 ( 0.000 0.446 0.000) 0.446 4.243 ( 0.000 -3.541 0.000) 3.541 4.243 ( 0.000 3.541 0.000) 3.541 4.298 ( 0.000 -1.374 0.000) 1.374 4.298 ( 0.000 1.374 0.000) 1.374 4.328 ( 0.000 -1.143 0.000) 1.143 4.328 ( 0.000 1.143 0.000) 1.143 4.743 ( 0.000 -0.046 0.000) 0.046 4.743 ( 0.000 0.046 0.000) 0.046 4.892 ( 0.000 -0.507 0.000) 0.507 4.892 ( 0.000 0.507 0.000) 0.507 5.406 ( 0.000 -0.133 0.000) 0.133 5.406 ( 0.000 0.133 0.000) 0.133 5.551 ( 0.000 -1.101 0.000) 1.101 5.551 ( 0.000 1.101 0.000) 1.101 5.633 ( 0.000 -1.953 0.000) 1.953 5.633 ( 0.000 1.953 0.000) 1.953 5.696 ( 0.000 -1.360 0.000) 1.360 5.696 ( 0.000 1.360 0.000) 1.360 5.967 ( 0.000 -0.652 0.000) 0.652 5.967 ( 0.000 0.652 0.000) 0.652 6.178 ( 0.000 -4.929 0.000) 4.929 6.178 ( 0.000 4.929 0.000) 4.929 9.711 ( 0.000 -2.458 0.000) 2.458 9.711 ( 0.000 2.458 0.000) 2.458 9.876 ( 0.000 -1.068 0.000) 1.068 9.876 ( 0.000 1.068 0.000) 1.068 10.143 ( 0.000 -2.760 0.000) 2.760 10.143 ( 0.000 2.760 0.000) 2.760 10.365 ( 0.000 -7.368 0.000) 7.368 10.365 ( 0.000 7.368 0.000) 7.368 10.844 ( 0.000 -1.105 0.000) 1.105 10.844 ( 0.000 1.105 0.000) 1.105 10.930 ( 0.000 -1.271 0.000) 1.271 10.930 ( 0.000 1.271 0.000) 1.271======================= Grid point 29 (17/76) =======================q-point: ( 0.11 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.853 ( 12.387 -8.343 0.405) 14.940 0.853 ( 12.387 8.343 0.405) 14.940 0.934 ( 1.676 -8.256 -0.858) 8.468 0.934 ( 1.676 8.256 -0.858) 8.468 1.114 ( 2.985 -2.552 -0.032) 3.927 1.114 ( 2.985 2.552 -0.032) 3.927 1.244 ( 10.224 -4.376 -5.017) 12.200 1.244 ( 10.224 4.376 -5.017) 12.200 1.340 ( 1.417 -4.782 6.519) 8.208 1.340 ( 1.417 4.782 6.519) 8.208 1.443 ( 7.625 -2.303 2.041) 8.223 1.443 ( 7.625 2.303 2.041) 8.223 1.668 ( 2.424 -3.243 1.928) 4.484 1.668 ( 2.424 3.243 1.928) 4.484 1.936 ( 6.693 -4.628 3.883) 9.016 1.936 ( 6.693 4.628 3.883) 9.016 2.119 ( 12.340 -1.807 -1.578) 12.571 2.119 ( 12.340 1.807 -1.578) 12.571 2.320 ( 1.550 -2.403 -2.413) 3.742 2.320 ( 1.550 2.403 -2.413) 3.742 2.427 ( 1.384 -7.288 2.081) 7.705 2.427 ( 1.384 7.288 2.081) 7.705 2.628 ( 1.948 -4.335 -0.680) 4.801 2.628 ( 1.948 4.335 -0.680) 4.801 2.768 ( 0.061 -3.656 -4.543) 5.832 2.768 ( 0.061 3.656 -4.543) 5.832 3.056 ( 1.280 -4.094 -1.955) 4.714 3.056 ( 1.280 4.094 -1.955) 4.714 3.247 ( 0.132 -1.609 -0.079) 1.616 3.247 ( 0.132 1.609 -0.079) 1.616 3.393 ( -0.145 -1.921 0.548) 2.003 3.393 ( -0.145 1.921 0.548) 2.003 3.541 ( 2.731 -4.551 2.461) 5.850 3.541 ( 2.731 4.551 2.461) 5.850 3.848 ( -3.625 -1.655 -2.082) 4.496 3.848 ( -3.625 1.655 -2.082) 4.496 4.056 ( -1.748 -2.913 2.128) 4.008 4.056 ( -1.748 2.913 2.128) 4.008 4.214 ( -2.342 -3.362 -1.519) 4.370 4.214 ( -2.342 3.362 -1.519) 4.370 4.294 ( -1.712 -3.892 2.562) 4.964 4.294 ( -1.712 3.892 2.562) 4.964 4.338 ( 0.551 -1.585 0.760) 1.842 4.338 ( 0.551 1.585 0.760) 1.842 4.719 ( -2.900 -0.218 0.327) 2.927 4.719 ( -2.900 0.218 0.327) 2.927 4.855 ( -4.014 -0.305 -0.092) 4.026 4.855 ( -4.014 0.305 -0.092) 4.026 5.400 ( -1.116 -0.665 0.774) 1.512 5.400 ( -1.116 0.665 0.774) 1.512 5.550 ( -0.150 -0.889 0.114) 0.908 5.550 ( -0.150 0.889 0.114) 0.908 5.626 ( -0.595 -2.277 -0.281) 2.371 5.626 ( -0.595 2.277 -0.281) 2.371 5.684 ( -0.930 -1.170 -0.768) 1.680 5.684 ( -0.930 1.170 -0.768) 1.680 5.956 ( -1.408 -0.675 0.481) 1.634 5.956 ( -1.408 0.675 0.481) 1.634 6.175 ( 0.080 -4.206 -1.747) 4.555 6.175 ( 0.080 4.206 -1.747) 4.555 9.706 ( 0.489 -2.196 -1.562) 2.739 9.706 ( 0.489 2.196 -1.562) 2.739 9.886 ( -0.071 -0.397 2.398) 2.431 9.886 ( -0.071 0.397 2.398) 2.431 10.149 ( 0.669 -0.777 -0.232) 1.051 10.149 ( 0.669 0.777 -0.232) 1.051 10.350 ( -1.733 -6.179 0.314) 6.425 10.350 ( -1.733 6.179 0.314) 6.425 10.836 ( -1.127 -1.296 0.214) 1.731 10.836 ( -1.127 1.296 0.214) 1.731 10.949 ( 2.328 -0.870 -0.763) 2.600 10.949 ( 2.328 0.870 -0.763) 2.600======================= Grid point 31 (18/76) =======================q-point: ( 0.22 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( -1.161 -5.486 0.421) 5.623 0.941 ( -1.161 5.486 0.421) 5.623 1.005 ( 5.244 -4.040 -1.860) 6.876 1.005 ( 5.244 4.040 -1.860) 6.876 1.176 ( 5.011 -4.403 -0.406) 6.683 1.176 ( 5.011 4.403 -0.406) 6.683 1.425 ( 3.310 -4.360 5.307) 7.624 1.425 ( 3.310 4.360 5.307) 7.624 1.473 ( 11.957 -2.105 2.273) 12.352 1.473 ( 11.957 2.105 2.273) 12.352 1.564 ( 4.628 -1.384 0.226) 4.836 1.564 ( 4.628 1.384 0.226) 4.836 1.790 ( 8.312 -3.391 4.211) 9.915 1.790 ( 8.312 3.391 4.211) 9.915 2.127 ( 10.317 -4.722 0.373) 11.352 2.127 ( 10.317 4.722 0.373) 11.352 2.308 ( 7.773 -1.239 -2.287) 8.197 2.308 ( 7.773 1.239 -2.287) 8.197 2.379 ( 9.140 -1.587 -1.719) 9.435 2.379 ( 9.140 1.587 -1.719) 9.435 2.510 ( 7.109 -6.572 0.030) 9.681 2.510 ( 7.109 6.572 0.030) 9.681 2.689 ( 5.411 -3.108 0.998) 6.319 2.689 ( 5.411 3.108 0.998) 6.319 2.761 ( 4.240 -4.065 -3.259) 6.717 2.761 ( 4.240 4.065 -3.259) 6.717 3.070 ( 3.251 -1.895 -3.231) 4.960 3.070 ( 3.251 1.895 -3.231) 4.960 3.272 ( 1.129 -4.283 3.986) 5.958 3.272 ( 1.129 4.283 3.986) 5.958 3.392 ( 1.782 -1.033 -2.837) 3.505 3.392 ( 1.782 1.033 -2.837) 3.505 3.607 ( 2.706 -4.510 -3.148) 6.130 3.607 ( 2.706 4.510 -3.148) 6.130 3.780 ( -1.763 -3.408 2.487) 4.572 3.780 ( -1.763 3.408 2.487) 4.572 4.016 ( -4.199 -2.030 0.810) 4.733 4.016 ( -4.199 2.030 0.810) 4.733 4.136 ( -5.588 -1.245 -0.475) 5.745 4.136 ( -5.588 1.245 -0.475) 5.745 4.286 ( -1.776 -4.246 3.061) 5.527 4.286 ( -1.776 4.246 3.061) 5.527 4.350 ( 0.268 -1.972 -0.082) 1.991 4.350 ( 0.268 1.972 -0.082) 1.991 4.649 ( -5.694 -1.160 1.017) 5.899 4.649 ( -5.694 1.160 1.017) 5.899 4.761 ( -6.316 -0.511 -0.128) 6.338 4.761 ( -6.316 0.511 -0.128) 6.338 5.380 ( -2.126 -0.966 1.533) 2.793 5.380 ( -2.126 0.966 1.533) 2.793 5.546 ( -0.495 -0.678 0.053) 0.841 5.546 ( -0.495 0.678 0.053) 0.841 5.607 ( -0.876 -2.337 -1.161) 2.753 5.607 ( -0.876 2.337 -1.161) 2.753 5.659 ( -1.384 -1.045 -0.092) 1.737 5.659 ( -1.384 1.045 -0.092) 1.737 5.930 ( -1.848 -0.917 0.559) 2.137 5.930 ( -1.848 0.917 0.559) 2.137 6.141 ( -2.113 -2.545 -2.323) 4.042 6.141 ( -2.113 2.545 -2.323) 4.042 9.713 ( 1.758 -0.961 -1.138) 2.304 9.713 ( 1.758 0.961 -1.138) 2.304 9.909 ( -0.328 -1.120 3.588) 3.773 9.909 ( -0.328 1.120 3.588) 3.773 10.148 ( -0.018 -5.468 -2.624) 6.065 10.148 ( -0.018 5.468 -2.624) 6.065 10.324 ( -1.316 -5.633 1.216) 5.911 10.324 ( -1.316 5.633 1.216) 5.911 10.810 ( -1.706 -0.828 -0.063) 1.898 10.810 ( -1.706 0.828 -0.063) 1.898 10.988 ( 2.466 -0.897 -0.599) 2.691 10.988 ( 2.466 0.897 -0.599) 2.691======================= Grid point 33 (19/76) =======================q-point: ( 0.33 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.882 ( -4.520 -3.861 -0.324) 5.954 0.882 ( -4.520 3.861 -0.324) 5.954 1.067 ( 3.471 -4.262 -1.549) 5.711 1.067 ( 3.471 4.262 -1.549) 5.711 1.280 ( 5.995 -3.765 1.227) 7.185 1.280 ( 5.995 3.765 1.227) 7.185 1.488 ( -0.375 -5.204 5.615) 7.665 1.488 ( -0.375 5.204 5.615) 7.665 1.576 ( 0.151 -1.674 1.056) 1.985 1.576 ( 0.151 1.674 1.056) 1.985 1.682 ( 5.482 -2.014 0.450) 5.857 1.682 ( 5.482 2.014 0.450) 5.857 1.981 ( 9.070 -3.313 2.631) 10.008 1.981 ( 9.070 3.313 2.631) 10.008 2.219 ( 2.299 -4.266 -3.775) 6.143 2.219 ( 2.299 4.266 -3.775) 6.143 2.442 ( 8.795 -4.600 -0.585) 9.942 2.442 ( 8.795 4.600 -0.585) 9.942 2.505 ( 4.976 -2.405 -0.533) 5.553 2.505 ( 4.976 2.405 -0.533) 5.553 2.655 ( 9.784 -5.130 -2.295) 11.283 2.655 ( 9.784 5.130 -2.295) 11.283 2.792 ( 3.893 -4.233 0.525) 5.775 2.792 ( 3.893 4.233 0.525) 5.775 2.892 ( 10.109 -2.880 0.116) 10.512 2.892 ( 10.109 2.880 0.116) 10.512 3.146 ( 6.255 -2.297 0.695) 6.699 3.146 ( 6.255 2.297 0.695) 6.699 3.341 ( 3.662 -4.569 3.728) 6.942 3.341 ( 3.662 4.569 3.728) 6.942 3.445 ( 5.850 -1.294 -2.146) 6.364 3.445 ( 5.850 1.294 -2.146) 6.364 3.576 ( 3.367 -5.723 -8.096) 10.471 3.576 ( 3.367 5.723 -8.096) 10.471 3.831 ( 0.868 -2.503 2.288) 3.500 3.831 ( 0.868 2.503 2.288) 3.500 3.931 ( -5.297 -1.806 -0.362) 5.608 3.931 ( -5.297 1.806 -0.362) 5.608 4.035 ( -4.523 -1.291 2.106) 5.153 4.035 ( -4.523 1.291 2.106) 5.153 4.269 ( -3.139 -1.205 2.178) 4.006 4.269 ( -3.139 1.205 2.178) 4.006 4.337 ( -1.593 -3.361 -1.054) 3.866 4.337 ( -1.593 3.361 -1.054) 3.866 4.544 ( -6.831 -3.055 1.548) 7.642 4.544 ( -6.831 3.055 1.548) 7.642 4.642 ( -6.777 -1.884 0.060) 7.034 4.642 ( -6.777 1.884 0.060) 7.034 5.356 ( -2.033 -1.014 1.980) 3.013 5.356 ( -2.033 1.014 1.980) 3.013 5.530 ( -0.987 -0.620 -0.652) 1.335 5.530 ( -0.987 0.620 -0.652) 1.335 5.581 ( -0.539 -1.403 -1.857) 2.389 5.581 ( -0.539 1.403 -1.857) 2.389 5.635 ( -1.668 -1.866 0.999) 2.695 5.635 ( -1.668 1.866 0.999) 2.695 5.906 ( -1.221 -1.044 0.377) 1.649 5.906 ( -1.221 1.044 0.377) 1.649 6.072 ( -3.456 -1.115 -1.601) 3.969 6.072 ( -3.456 1.115 -1.601) 3.969 9.748 ( 2.714 -1.120 -0.215) 2.944 9.748 ( 2.714 1.120 -0.215) 2.944 9.923 ( -1.556 -2.167 3.347) 4.280 9.923 ( -1.556 2.167 3.347) 4.280 10.100 ( -1.634 -4.870 -4.081) 6.560 10.100 ( -1.634 4.870 -4.081) 6.560 10.334 ( 0.778 -4.312 1.431) 4.609 10.334 ( 0.778 4.312 1.431) 4.609 10.783 ( -1.205 -0.781 -0.034) 1.436 10.783 ( -1.205 0.781 -0.034) 1.436 11.020 ( 1.568 -0.582 -0.281) 1.696 11.020 ( 1.568 0.582 -0.281) 1.696======================= Grid point 35 (20/76) =======================q-point: ( 0.44 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.813 ( -2.333 -1.484 -0.220) 2.774 0.813 ( -2.333 1.484 -0.220) 2.774 1.097 ( 1.115 -3.400 -0.801) 3.667 1.097 ( 1.115 3.400 -0.801) 3.667 1.381 ( 3.502 -2.179 0.998) 4.243 1.381 ( 3.502 2.179 0.998) 4.243 1.511 ( -0.646 -2.873 2.409) 3.805 1.511 ( -0.646 2.873 2.409) 3.805 1.570 ( -0.809 -0.983 0.227) 1.293 1.570 ( -0.809 0.983 0.227) 1.293 1.729 ( 0.786 -0.853 -0.139) 1.168 1.729 ( 0.786 0.853 -0.139) 1.168 2.119 ( 4.907 -2.652 0.294) 5.586 2.119 ( 4.907 2.652 0.294) 5.586 2.197 ( -1.586 -0.119 -1.043) 1.902 2.197 ( -1.586 0.119 -1.043) 1.902 2.522 ( 1.818 -3.258 -0.440) 3.757 2.522 ( 1.818 3.258 -0.440) 3.757 2.607 ( 4.773 -0.621 -0.194) 4.818 2.607 ( 4.773 0.621 -0.194) 4.818 2.732 ( 1.830 -3.281 -1.151) 3.929 2.732 ( 1.830 3.281 -1.151) 3.929 2.867 ( 1.327 -6.357 1.986) 6.791 2.867 ( 1.327 6.357 1.986) 6.791 3.010 ( 4.803 -2.474 -2.515) 5.959 3.010 ( 4.803 2.474 -2.515) 5.959 3.240 ( 1.213 -5.569 3.285) 6.579 3.240 ( 1.213 5.569 3.285) 6.579 3.466 ( 3.499 -1.785 -2.713) 4.774 3.466 ( 3.499 1.785 -2.713) 4.774 3.509 ( 9.490 -1.374 0.200) 9.591 3.509 ( 9.490 1.374 0.200) 9.591 3.671 ( 4.202 -2.946 0.626) 5.170 3.671 ( 4.202 2.946 0.626) 5.170 3.775 ( -4.775 -2.981 -2.110) 6.012 3.775 ( -4.775 2.981 -2.110) 6.012 3.821 ( -3.801 -1.476 -0.276) 4.086 3.821 ( -3.801 1.476 -0.276) 4.086 4.068 ( 3.359 -1.756 0.525) 3.826 4.068 ( 3.359 1.756 0.525) 3.826 4.205 ( -4.964 -0.842 1.764) 5.335 4.205 ( -4.964 0.842 1.764) 5.335 4.280 ( -2.746 -2.151 -0.790) 3.576 4.280 ( -2.746 2.151 -0.790) 3.576 4.462 ( -3.230 -6.582 1.204) 7.430 4.462 ( -3.230 6.582 1.204) 7.430 4.552 ( -2.700 -3.226 -0.131) 4.209 4.552 ( -2.700 3.226 -0.131) 4.209 5.346 ( -0.715 -1.680 1.124) 2.144 5.346 ( -0.715 1.680 1.124) 2.144 5.507 ( -0.536 -0.117 -0.867) 1.027 5.507 ( -0.536 0.117 -0.867) 1.027 5.561 ( -0.417 -1.515 -0.715) 1.727 5.561 ( -0.417 1.515 -0.715) 1.727 5.620 ( -0.731 -2.060 0.561) 2.257 5.620 ( -0.731 2.060 0.561) 2.257 5.895 ( -0.303 -1.059 0.080) 1.105 5.895 ( -0.303 1.059 0.080) 1.105 6.014 ( -1.734 -0.319 -0.419) 1.812 6.014 ( -1.734 0.319 -0.419) 1.812 9.797 ( 2.369 -2.991 0.185) 3.820 9.797 ( 2.369 2.991 0.185) 3.820 9.904 ( -2.339 -1.777 1.101) 3.137 9.904 ( -2.339 1.777 1.101) 3.137 10.054 ( -0.510 -0.968 -1.737) 2.052 10.054 ( -0.510 0.968 -1.737) 2.052 10.356 ( 0.520 -3.220 0.530) 3.305 10.356 ( 0.520 3.220 0.530) 3.305 10.770 ( -0.334 -0.861 0.018) 0.924 10.770 ( -0.334 0.861 0.018) 0.924 11.037 ( 0.523 -0.177 -0.072) 0.557 11.037 ( 0.523 0.177 -0.072) 0.557======================= Grid point 63 (21/76) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.204 ( -3.867 0.000 11.886) 12.499 0.372 ( -2.219 0.000 19.530) 19.655 0.616 ( -4.155 0.000 30.493) 30.775 0.729 ( 2.861 0.000 -13.774) 14.068 1.067 ( 2.092 0.000 -12.644) 12.816 1.109 ( -1.373 0.000 -1.780) 2.248 1.120 ( -2.871 0.000 0.470) 2.909 1.291 ( 3.196 0.000 2.059) 3.801 1.403 ( 0.154 0.000 1.829) 1.835 1.476 ( 0.139 0.000 0.409) 0.432 1.501 ( -1.254 0.000 -3.458) 3.679 1.540 ( 0.492 0.000 2.201) 2.255 1.732 ( 2.746 0.000 0.123) 2.749 1.812 ( -2.924 0.000 1.706) 3.385 1.820 ( 0.699 0.000 -4.409) 4.464 1.897 ( -0.087 0.000 -2.572) 2.574 1.973 ( 0.150 0.000 0.217) 0.264 2.073 ( -1.225 0.000 -5.313) 5.452 2.085 ( 0.290 0.000 0.047) 0.293 2.135 ( -0.393 0.000 -2.240) 2.274 2.278 ( 0.225 0.000 12.261) 12.263 2.389 ( 1.494 0.000 12.585) 12.674 2.472 ( -3.280 0.000 4.643) 5.684 2.645 ( 0.601 0.000 -5.779) 5.811 2.847 ( 2.854 0.000 -9.585) 10.001 2.913 ( -2.115 0.000 3.929) 4.463 2.979 ( -1.034 0.000 -3.126) 3.292 3.067 ( 0.562 0.000 -13.701) 13.713 3.191 ( 3.754 0.000 0.148) 3.757 3.328 ( -2.003 0.000 -3.955) 4.433 3.355 ( -4.800 0.000 0.903) 4.884 3.427 ( 0.093 0.000 0.111) 0.145 3.498 ( -0.495 0.000 1.862) 1.926 3.552 ( 2.946 0.000 1.642) 3.373 3.653 ( -0.695 0.000 5.587) 5.630 3.916 ( -3.520 0.000 -5.073) 6.175 3.975 ( -1.556 0.000 6.527) 6.710 4.111 ( 5.328 0.000 1.271) 5.478 4.169 ( -1.398 0.000 -1.291) 1.903 4.169 ( 1.552 0.000 -1.781) 2.362 4.273 ( 0.317 0.000 5.619) 5.628 4.320 ( 1.271 0.000 3.055) 3.309 4.460 ( 6.799 0.000 -2.889) 7.387 4.468 ( -0.825 0.000 -2.688) 2.812 4.812 ( 0.858 0.000 -0.513) 1.000 4.826 ( -4.864 0.000 -0.814) 4.931 4.882 ( 0.710 0.000 0.803) 1.072 4.894 ( -1.073 0.000 0.450) 1.163 5.495 ( -0.571 0.000 0.326) 0.657 5.496 ( 0.786 0.000 0.128) 0.797 5.529 ( -0.250 0.000 0.133) 0.283 5.570 ( 0.900 0.000 -2.052) 2.241 5.591 ( -14.134 0.000 1.149) 14.181 5.610 ( -1.972 0.000 1.338) 2.383 5.627 ( -0.307 0.000 -0.139) 0.337 5.696 ( 2.499 0.000 -2.197) 3.328 5.990 ( 0.690 0.000 -0.248) 0.733 5.997 ( 0.004 0.000 -0.258) 0.258 6.041 ( -1.927 0.000 1.969) 2.755 6.095 ( 8.018 0.000 -0.665) 8.045 9.674 ( 0.019 0.000 0.748) 0.748 9.734 ( 1.187 0.000 -2.370) 2.651 9.857 ( 5.506 0.000 3.445) 6.495 9.963 ( -0.305 0.000 -1.652) 1.680 10.007 ( 2.802 0.000 2.680) 3.877 10.144 ( -2.673 0.000 -3.026) 4.038 10.672 ( 1.650 0.000 1.278) 2.087 10.741 ( -1.603 0.000 -2.063) 2.613 10.835 ( 5.300 0.000 1.603) 5.537 10.856 ( 2.889 0.000 0.074) 2.890 10.869 ( -1.998 0.000 -0.110) 2.001 10.876 ( -8.286 0.000 -0.620) 8.310======================= Grid point 64 (22/76) =======================q-point: ( 0.11 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.548 ( 4.180 0.000 16.541) 17.061 0.581 ( 22.611 0.000 7.110) 23.702 0.822 ( 15.140 0.000 -10.005) 18.147 0.834 ( 2.807 0.000 22.442) 22.617 0.963 ( 1.887 0.000 -15.407) 15.522 1.196 ( 9.429 0.000 0.320) 9.435 1.232 ( 10.293 0.000 1.172) 10.359 1.339 ( 3.638 0.000 -6.014) 7.029 1.453 ( 2.194 0.000 1.919) 2.915 1.492 ( 1.836 0.000 -0.288) 1.858 1.549 ( 6.325 0.000 -1.875) 6.597 1.570 ( 3.496 0.000 2.277) 4.172 1.758 ( 0.853 0.000 -0.633) 1.062 1.803 ( 3.136 0.000 -1.903) 3.668 1.885 ( 8.983 0.000 2.342) 9.283 1.947 ( 4.729 0.000 0.667) 4.776 2.022 ( 3.739 0.000 2.199) 4.337 2.059 ( 5.299 0.000 -2.862) 6.022 2.157 ( 9.773 0.000 -2.662) 10.129 2.160 ( 6.039 0.000 -1.375) 6.194 2.370 ( 0.086 0.000 9.410) 9.410 2.535 ( 6.688 0.000 3.880) 7.732 2.536 ( 1.416 0.000 12.101) 12.184 2.594 ( 0.347 0.000 -6.485) 6.495 2.835 ( 3.641 0.000 -7.072) 7.954 2.866 ( -2.124 0.000 -10.720) 10.929 2.924 ( 1.857 0.000 1.191) 2.206 3.071 ( 4.561 0.000 -4.352) 6.304 3.223 ( -4.198 0.000 -5.949) 7.282 3.272 ( 1.301 0.000 1.057) 1.676 3.304 ( -0.633 0.000 5.135) 5.174 3.414 ( -1.518 0.000 0.728) 1.683 3.542 ( 3.544 0.000 0.635) 3.601 3.586 ( 3.131 0.000 -3.543) 4.728 3.718 ( -0.571 0.000 9.003) 9.021 3.819 ( -3.537 0.000 -2.535) 4.352 3.985 ( -2.638 0.000 4.256) 5.007 4.115 ( -3.187 0.000 -0.671) 3.257 4.118 ( -2.453 0.000 -3.119) 3.968 4.185 ( 0.092 0.000 -1.356) 1.359 4.305 ( -0.005 0.000 5.372) 5.372 4.326 ( -3.004 0.000 2.237) 3.746 4.429 ( -0.581 0.000 -2.924) 2.981 4.473 ( -1.561 0.000 -4.286) 4.561 4.728 ( -5.689 0.000 1.223) 5.819 4.794 ( -2.702 0.000 0.252) 2.713 4.847 ( -4.364 0.000 0.037) 4.364 4.885 ( -0.981 0.000 0.303) 1.027 5.468 ( -3.243 0.000 2.090) 3.858 5.474 ( -1.780 0.000 0.059) 1.781 5.510 ( 0.633 0.000 0.350) 0.723 5.536 ( -0.906 0.000 1.507) 1.758 5.561 ( -0.268 0.000 -1.802) 1.821 5.609 ( -1.386 0.000 -0.346) 1.429 5.619 ( -0.423 0.000 1.422) 1.483 5.735 ( 2.043 0.000 0.711) 2.163 5.990 ( -0.700 0.000 -0.315) 0.768 5.996 ( -0.596 0.000 -0.014) 0.596 6.011 ( -1.673 0.000 0.402) 1.721 6.137 ( 0.008 0.000 -2.817) 2.817 9.703 ( 1.980 0.000 0.666) 2.088 9.737 ( 1.710 0.000 -1.598) 2.341 9.942 ( 3.713 0.000 0.225) 3.720 9.943 ( -0.191 0.000 -3.637) 3.642 10.063 ( -1.555 0.000 -3.842) 4.145 10.083 ( 1.275 0.000 4.654) 4.826 10.575 ( -12.032 0.000 2.795) 12.353 10.667 ( -3.560 0.000 1.428) 3.836 10.785 ( -1.915 0.000 1.219) 2.270 10.814 ( -2.705 0.000 -0.881) 2.845 10.930 ( 3.510 0.000 -1.135) 3.689 10.933 ( 3.895 0.000 1.310) 4.110======================= Grid point 65 (23/76) =======================q-point: ( 0.22 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 6.145 0.000 13.418) 14.758 0.904 ( 5.801 0.000 -9.832) 11.415 0.915 ( 3.990 0.000 10.226) 10.977 0.958 ( 6.244 0.000 -6.806) 9.236 1.094 ( 12.363 0.000 6.432) 13.936 1.319 ( 5.866 0.000 -9.251) 10.955 1.356 ( 2.502 0.000 1.026) 2.704 1.387 ( 5.628 0.000 1.350) 5.788 1.471 ( -0.588 0.000 -0.266) 0.646 1.475 ( -2.714 0.000 -3.900) 4.752 1.656 ( 9.319 0.000 -2.395) 9.621 1.710 ( 6.766 0.000 2.399) 7.179 1.847 ( 8.759 0.000 -0.080) 8.759 1.944 ( 12.408 0.000 0.972) 12.446 2.037 ( 8.299 0.000 -0.758) 8.334 2.038 ( 5.090 0.000 1.312) 5.256 2.151 ( 6.311 0.000 7.338) 9.679 2.245 ( 13.290 0.000 2.568) 13.535 2.373 ( 17.333 0.000 -4.099) 17.811 2.378 ( 17.937 0.000 1.353) 17.988 2.461 ( 5.357 0.000 3.022) 6.150 2.467 ( -1.885 0.000 -11.225) 11.383 2.710 ( 3.833 0.000 11.968) 12.567 2.726 ( 7.209 0.000 -1.161) 7.302 2.772 ( 4.129 0.000 -5.045) 6.519 2.851 ( 1.511 0.000 -1.007) 1.816 3.001 ( 5.341 0.000 0.458) 5.361 3.034 ( -3.686 0.000 -7.607) 8.454 3.198 ( 5.559 0.000 -0.819) 5.619 3.278 ( 2.661 0.000 -0.829) 2.787 3.392 ( 3.048 0.000 4.558) 5.483 3.413 ( 1.390 0.000 1.704) 2.199 3.619 ( 4.517 0.000 0.942) 4.615 3.624 ( 3.868 0.000 -2.167) 4.433 3.738 ( -3.631 0.000 -2.008) 4.149 3.749 ( -2.494 0.000 4.984) 5.574 3.941 ( -3.303 0.000 -1.553) 3.649 4.026 ( -4.535 0.000 -3.259) 5.585 4.081 ( -1.909 0.000 3.962) 4.398 4.131 ( -4.260 0.000 -1.227) 4.433 4.282 ( -2.322 0.000 -0.188) 2.330 4.353 ( 1.565 0.000 -4.395) 4.665 4.391 ( -2.668 0.000 0.006) 2.668 4.396 ( -3.884 0.000 4.479) 5.929 4.621 ( -7.814 0.000 0.316) 7.821 4.722 ( -6.025 0.000 -0.167) 6.028 4.752 ( -6.540 0.000 1.517) 6.714 4.844 ( -3.111 0.000 -1.616) 3.506 5.434 ( -2.044 0.000 0.312) 2.068 5.438 ( -2.372 0.000 0.063) 2.373 5.515 ( -1.165 0.000 0.794) 1.410 5.529 ( -1.886 0.000 -1.168) 2.219 5.534 ( -0.707 0.000 2.100) 2.216 5.581 ( -1.107 0.000 -0.679) 1.299 5.618 ( -0.805 0.000 1.355) 1.576 5.753 ( -1.400 0.000 1.638) 2.154 5.960 ( -1.907 0.000 -0.624) 2.007 5.969 ( -1.465 0.000 0.018) 1.465 6.003 ( -0.925 0.000 0.459) 1.033 6.082 ( -3.389 0.000 -2.208) 4.045 9.717 ( -0.558 0.000 -1.416) 1.522 9.768 ( 2.441 0.000 -0.002) 2.441 9.913 ( 1.615 0.000 -3.759) 4.091 10.004 ( 3.365 0.000 -0.899) 3.483 10.060 ( 3.061 0.000 -1.864) 3.584 10.121 ( -1.305 0.000 4.774) 4.949 10.417 ( -8.512 0.000 2.418) 8.849 10.578 ( -6.354 0.000 -0.658) 6.388 10.764 ( -1.995 0.000 -1.044) 2.252 10.769 ( -0.659 0.000 0.395) 0.768 10.975 ( 2.695 0.000 -0.726) 2.792 11.002 ( 2.394 0.000 1.518) 2.835======================= Grid point 66 (24/76) =======================q-point: ( 0.33 0.00 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.934 ( 7.199 0.000 -7.792) 10.609 0.939 ( -2.212 0.000 0.993) 2.424 0.977 ( 5.859 0.000 7.119) 9.220 1.019 ( -1.655 0.000 9.152) 9.300 1.269 ( 3.943 0.000 -1.295) 4.150 1.319 ( 2.707 0.000 -8.186) 8.622 1.372 ( -1.600 0.000 1.367) 2.104 1.384 ( -1.161 0.000 -6.332) 6.438 1.462 ( 0.414 0.000 1.746) 1.795 1.487 ( 3.945 0.000 1.042) 4.080 1.790 ( 5.976 0.000 -0.556) 6.002 1.810 ( 3.226 0.000 1.242) 3.457 1.993 ( 7.664 0.000 -1.092) 7.742 2.053 ( 0.705 0.000 2.388) 2.490 2.212 ( 10.148 0.000 -0.148) 10.149 2.237 ( 11.951 0.000 -4.140) 12.647 2.328 ( 6.497 0.000 9.008) 11.106 2.353 ( 2.600 0.000 -12.516) 12.784 2.488 ( 10.192 0.000 3.354) 10.730 2.578 ( 8.004 0.000 -5.024) 9.450 2.661 ( 6.622 0.000 6.513) 9.288 2.664 ( 13.197 0.000 3.508) 13.655 2.760 ( 7.590 0.000 -1.562) 7.750 2.846 ( -1.544 0.000 2.006) 2.532 2.874 ( -0.223 0.000 -5.127) 5.132 2.960 ( 4.742 0.000 -2.028) 5.158 2.965 ( 16.655 0.000 6.176) 17.764 3.085 ( 2.724 0.000 2.482) 3.685 3.342 ( 11.573 0.000 -0.605) 11.589 3.352 ( 6.014 0.000 -4.112) 7.286 3.466 ( 2.434 0.000 1.220) 2.722 3.506 ( 5.840 0.000 1.647) 6.068 3.669 ( -1.689 0.000 1.971) 2.596 3.671 ( 1.954 0.000 -0.515) 2.021 3.720 ( 3.940 0.000 2.591) 4.716 3.732 ( -1.320 0.000 1.634) 2.101 3.888 ( 1.014 0.000 -3.339) 3.490 3.916 ( -4.502 0.000 -3.506) 5.706 4.036 ( -4.699 0.000 -1.377) 4.897 4.096 ( -0.435 0.000 3.667) 3.693 4.235 ( -2.541 0.000 -2.701) 3.708 4.253 ( -4.908 0.000 -4.857) 6.905 4.345 ( -4.011 0.000 4.243) 5.839 4.424 ( -3.475 0.000 0.220) 3.482 4.468 ( -6.371 0.000 2.790) 6.955 4.581 ( -8.575 0.000 -0.912) 8.623 4.651 ( -7.842 0.000 3.444) 8.565 4.756 ( -4.111 0.000 -3.287) 5.263 5.390 ( -2.801 0.000 -0.444) 2.836 5.403 ( -1.407 0.000 -0.308) 1.440 5.486 ( -2.883 0.000 1.511) 3.255 5.488 ( -1.985 0.000 0.151) 1.990 5.535 ( -0.984 0.000 1.423) 1.730 5.564 ( -0.228 0.000 -0.449) 0.504 5.620 ( -0.104 0.000 0.999) 1.004 5.722 ( -2.140 0.000 -0.485) 2.194 5.924 ( -1.258 0.000 -1.499) 1.957 5.946 ( -1.269 0.000 0.633) 1.418 5.977 ( -2.512 0.000 1.229) 2.796 5.997 ( -3.997 0.000 -1.828) 4.395 9.694 ( -0.323 0.000 -0.422) 0.531 9.811 ( 1.836 0.000 0.582) 1.926 9.927 ( 2.508 0.000 -2.994) 3.906 10.027 ( -0.226 0.000 -1.298) 1.317 10.117 ( 4.170 0.000 -0.434) 4.192 10.125 ( -1.496 0.000 3.312) 3.634 10.323 ( -3.924 0.000 1.400) 4.166 10.458 ( -5.462 0.000 -2.199) 5.888 10.731 ( -1.008 0.000 -0.281) 1.047 10.767 ( 0.130 0.000 -0.004) 0.131 11.012 ( 1.974 0.000 -0.411) 2.016 11.041 ( 0.923 0.000 0.818) 1.233======================= Grid point 67 (25/76) =======================q-point: ( 0.44 0.00 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.906 ( -1.900 0.000 3.739) 4.194 1.013 ( 6.406 0.000 -4.109) 7.611 1.022 ( -4.608 0.000 6.267) 7.779 1.069 ( -2.467 0.000 2.055) 3.210 1.257 ( 0.052 0.000 -6.543) 6.544 1.323 ( 4.253 0.000 -1.573) 4.534 1.351 ( 3.061 0.000 -5.724) 6.491 1.353 ( -1.200 0.000 2.705) 2.959 1.495 ( -0.202 0.000 3.134) 3.141 1.534 ( 1.287 0.000 -1.342) 1.860 1.843 ( -0.165 0.000 0.235) 0.287 1.848 ( 1.669 0.000 -0.749) 1.829 2.064 ( -0.930 0.000 1.151) 1.479 2.095 ( 4.674 0.000 -1.224) 4.832 2.224 ( -0.965 0.000 -6.321) 6.394 2.271 ( -0.320 0.000 -7.057) 7.064 2.459 ( 10.332 0.000 -2.597) 10.653 2.505 ( 4.655 0.000 3.897) 6.071 2.649 ( 4.812 0.000 3.718) 6.081 2.680 ( 3.931 0.000 2.363) 4.586 2.742 ( -2.015 0.000 6.955) 7.241 2.794 ( -1.157 0.000 0.119) 1.163 2.812 ( -4.090 0.000 2.406) 4.745 2.821 ( 2.752 0.000 -1.276) 3.033 2.929 ( 9.240 0.000 1.221) 9.321 3.084 ( 6.547 0.000 0.718) 6.586 3.126 ( 1.159 0.000 -0.262) 1.188 3.297 ( -5.024 0.000 -1.180) 5.161 3.336 ( 13.230 0.000 1.785) 13.350 3.525 ( 6.647 0.000 -2.871) 7.240 3.538 ( 6.457 0.000 -2.467) 6.912 3.585 ( 5.505 0.000 0.201) 5.509 3.667 ( -3.912 0.000 3.142) 5.018 3.689 ( -3.442 0.000 1.016) 3.588 3.743 ( 0.305 0.000 0.348) 0.463 3.775 ( -1.471 0.000 5.273) 5.475 3.863 ( 1.337 0.000 -0.402) 1.396 3.949 ( 8.929 0.000 -5.191) 10.328 3.970 ( -1.570 0.000 -0.920) 1.820 4.104 ( -2.173 0.000 1.066) 2.420 4.148 ( -1.955 0.000 -3.296) 3.832 4.153 ( -1.494 0.000 -3.325) 3.645 4.261 ( -6.835 0.000 2.039) 7.132 4.299 ( -6.238 0.000 3.204) 7.013 4.455 ( -4.062 0.000 -0.071) 4.062 4.465 ( -0.823 0.000 -1.771) 1.953 4.537 ( -7.264 0.000 3.951) 8.269 4.687 ( 0.462 0.000 -2.643) 2.683 5.352 ( -0.737 0.000 0.113) 0.746 5.385 ( -0.250 0.000 -0.260) 0.361 5.450 ( -2.173 0.000 1.273) 2.518 5.465 ( -0.919 0.000 0.497) 1.045 5.529 ( -0.783 0.000 1.484) 1.677 5.566 ( 0.402 0.000 0.323) 0.516 5.621 ( -0.477 0.000 0.016) 0.477 5.682 ( -0.860 0.000 -2.289) 2.445 5.896 ( -0.127 0.000 -1.481) 1.486 5.921 ( -2.327 0.000 -1.277) 2.655 5.945 ( 0.099 0.000 0.624) 0.632 5.950 ( -1.505 0.000 1.185) 1.916 9.705 ( 0.516 0.000 2.236) 2.295 9.834 ( 0.496 0.000 -0.323) 0.592 9.950 ( 2.616 0.000 -1.928) 3.250 9.986 ( -2.652 0.000 -0.636) 2.727 10.132 ( -0.038 0.000 1.618) 1.618 10.178 ( 2.179 0.000 -0.037) 2.179 10.289 ( -1.453 0.000 0.463) 1.525 10.366 ( -2.172 0.000 -2.640) 3.419 10.725 ( -0.006 0.000 0.641) 0.641 10.769 ( 0.087 0.000 -0.439) 0.447 11.036 ( 0.960 0.000 -0.090) 0.964 11.050 ( -0.188 0.000 0.128) 0.227======================= Grid point 68 (26/76) =======================q-point: (-0.44 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.895 ( -6.841 0.000 1.881) 7.095 0.944 ( -7.820 0.000 3.301) 8.488 1.020 ( 0.868 0.000 2.981) 3.105 1.100 ( 3.380 0.000 1.521) 3.707 1.194 ( 0.712 0.000 -8.671) 8.700 1.342 ( 4.076 0.000 -8.952) 9.836 1.383 ( 1.065 0.000 3.917) 4.059 1.441 ( 3.452 0.000 5.731) 6.690 1.495 ( -1.563 0.000 0.520) 1.648 1.513 ( -0.926 0.000 -3.492) 3.612 1.815 ( -2.626 0.000 -0.268) 2.640 1.850 ( -0.678 0.000 -0.350) 0.763 2.043 ( -2.548 0.000 1.194) 2.814 2.128 ( -1.261 0.000 0.657) 1.422 2.153 ( -1.013 0.000 -4.926) 5.029 2.164 ( -5.102 0.000 -6.158) 7.997 2.481 ( -7.824 0.000 -2.217) 8.132 2.536 ( -1.801 0.000 -1.825) 2.564 2.681 ( -5.139 0.000 3.689) 6.326 2.688 ( -5.221 0.000 1.335) 5.389 2.764 ( -2.327 0.000 3.771) 4.431 2.777 ( 0.557 0.000 4.315) 4.351 2.807 ( 1.896 0.000 4.491) 4.875 2.885 ( 2.526 0.000 -0.589) 2.593 3.056 ( -8.311 0.000 -6.308) 10.434 3.065 ( 2.292 0.000 4.092) 4.690 3.122 ( -6.691 0.000 -1.262) 6.809 3.145 ( -0.414 0.000 4.628) 4.647 3.498 ( -4.728 0.000 2.416) 5.310 3.503 ( -6.133 0.000 -4.073) 7.362 3.538 ( -4.783 0.000 -5.499) 7.288 3.568 ( -8.013 0.000 -0.050) 8.013 3.633 ( 8.452 0.000 0.550) 8.470 3.682 ( -9.560 0.000 4.866) 10.727 3.719 ( -2.873 0.000 2.845) 4.044 3.753 ( -0.307 0.000 2.258) 2.279 3.872 ( 4.975 0.000 -2.370) 5.510 3.983 ( 3.063 0.000 1.760) 3.533 4.006 ( 0.550 0.000 -1.539) 1.635 4.068 ( -4.771 0.000 -1.480) 4.995 4.115 ( 0.250 0.000 -6.865) 6.870 4.186 ( 6.722 0.000 -2.751) 7.264 4.252 ( 2.612 0.000 3.155) 4.096 4.313 ( 6.666 0.000 5.043) 8.359 4.420 ( -0.583 0.000 -1.909) 1.996 4.437 ( 4.035 0.000 -0.823) 4.118 4.530 ( 2.279 0.000 3.762) 4.398 4.728 ( 5.554 0.000 -2.559) 6.115 5.367 ( 1.564 0.000 0.665) 1.699 5.385 ( 0.627 0.000 -0.861) 1.065 5.445 ( 0.494 0.000 1.367) 1.453 5.467 ( 0.944 0.000 0.485) 1.061 5.538 ( -0.011 0.000 2.337) 2.337 5.580 ( 0.614 0.000 0.886) 1.078 5.601 ( -1.218 0.000 -0.702) 1.406 5.660 ( 0.769 0.000 -3.064) 3.159 5.892 ( 0.339 0.000 -1.158) 1.206 5.905 ( 2.122 0.000 -0.740) 2.247 5.945 ( -0.033 0.000 0.694) 0.695 5.972 ( 2.368 0.000 0.357) 2.395 9.740 ( 0.711 0.000 3.381) 3.455 9.824 ( -0.883 0.000 -0.860) 1.233 9.936 ( -1.440 0.000 -3.102) 3.420 9.986 ( 2.101 0.000 -0.156) 2.107 10.148 ( -0.433 0.000 2.461) 2.498 10.174 ( -1.782 0.000 -0.453) 1.839 10.271 ( -0.435 0.000 -0.029) 0.436 10.359 ( 3.442 0.000 -2.484) 4.245 10.737 ( 0.472 0.000 1.023) 1.127 10.761 ( -0.352 0.000 -0.829) 0.901 11.038 ( -1.122 0.000 -0.289) 1.158 11.044 ( -0.147 0.000 0.328) 0.360======================= Grid point 69 (27/76) =======================q-point: (-0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.720 ( -11.923 0.000 0.291) 11.927 0.800 ( -11.857 0.000 3.569) 12.383 1.094 ( -3.025 0.000 -3.684) 4.767 1.122 ( 3.936 0.000 5.031) 6.388 1.199 ( 2.477 0.000 1.036) 2.685 1.326 ( 1.097 0.000 -6.473) 6.566 1.431 ( -0.223 0.000 3.966) 3.972 1.455 ( -0.564 0.000 -4.251) 4.289 1.458 ( -1.701 0.000 -2.536) 3.053 1.516 ( 0.779 0.000 1.161) 1.398 1.751 ( -5.128 0.000 0.452) 5.148 1.819 ( -3.252 0.000 0.822) 3.355 1.970 ( -8.306 0.000 -0.716) 8.336 2.031 ( -3.797 0.000 -1.049) 3.939 2.051 ( -6.769 0.000 1.972) 7.051 2.127 ( -1.094 0.000 -1.219) 1.638 2.253 ( -13.824 0.000 -2.754) 14.096 2.373 ( -13.053 0.000 -0.256) 13.055 2.541 ( -14.355 0.000 1.206) 14.405 2.565 ( -9.424 0.000 0.192) 9.426 2.711 ( -6.367 0.000 -0.858) 6.424 2.787 ( -3.297 0.000 -1.528) 3.634 2.815 ( -10.300 0.000 3.823) 10.987 2.851 ( -3.577 0.000 -0.445) 3.605 2.936 ( 0.179 0.000 4.811) 4.814 2.968 ( -7.874 0.000 -5.334) 9.510 3.043 ( -7.936 0.000 1.903) 8.161 3.185 ( 0.132 0.000 5.509) 5.511 3.313 ( -4.460 0.000 -1.732) 4.785 3.376 ( -7.245 0.000 0.049) 7.245 3.421 ( -6.498 0.000 -0.878) 6.557 3.464 ( -0.582 0.000 -7.372) 7.395 3.538 ( -7.994 0.000 5.712) 9.825 3.696 ( -6.803 0.000 0.295) 6.809 3.740 ( 3.182 0.000 3.058) 4.413 3.781 ( 1.951 0.000 4.248) 4.675 3.926 ( -3.956 0.000 -5.982) 7.171 3.975 ( 6.667 0.000 -6.999) 9.667 3.988 ( -0.220 0.000 2.954) 2.962 4.051 ( 2.649 0.000 3.670) 4.526 4.127 ( 5.374 0.000 -3.808) 6.587 4.229 ( 1.425 0.000 -2.046) 2.493 4.372 ( 5.097 0.000 3.246) 6.043 4.436 ( 1.629 0.000 1.214) 2.031 4.509 ( 9.978 0.000 3.163) 10.467 4.547 ( 8.125 0.000 -1.980) 8.363 4.649 ( 7.414 0.000 2.463) 7.812 4.806 ( 5.333 0.000 -3.183) 6.211 5.400 ( 2.160 0.000 -1.035) 2.395 5.401 ( 1.982 0.000 0.080) 1.983 5.475 ( 1.277 0.000 1.213) 1.761 5.506 ( 2.564 0.000 0.565) 2.625 5.563 ( 0.231 0.000 2.693) 2.703 5.585 ( -0.036 0.000 1.156) 1.157 5.604 ( 1.053 0.000 1.298) 1.672 5.654 ( 1.611 0.000 -3.510) 3.862 5.909 ( 2.342 0.000 -1.003) 2.548 5.944 ( 1.743 0.000 0.406) 1.789 5.961 ( 1.963 0.000 -0.103) 1.966 6.029 ( 4.102 0.000 -0.642) 4.152 9.773 ( -0.328 0.000 2.517) 2.538 9.799 ( -1.076 0.000 -0.568) 1.217 9.876 ( -1.260 0.000 -6.135) 6.263 10.007 ( 0.049 0.000 0.904) 0.906 10.131 ( -3.296 0.000 0.708) 3.371 10.146 ( -1.095 0.000 0.764) 1.335 10.299 ( 2.522 0.000 2.649) 3.658 10.421 ( 5.918 0.000 -3.084) 6.673 10.748 ( -0.156 0.000 -0.837) 0.851 10.756 ( 0.898 0.000 0.579) 1.068 11.008 ( -1.954 0.000 -0.399) 1.994 11.037 ( -1.108 0.000 0.800) 1.367======================= Grid point 70 (28/76) =======================q-point: (-0.22 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.510 ( -13.446 0.000 4.098) 14.056 0.604 ( -15.129 0.000 8.643) 17.424 0.942 ( -14.100 0.000 0.782) 14.121 1.172 ( -4.133 0.000 1.564) 4.420 1.221 ( -0.130 0.000 -3.209) 3.211 1.260 ( -3.175 0.000 -3.755) 4.918 1.395 ( -3.012 0.000 -1.491) 3.361 1.398 ( -3.728 0.000 -2.069) 4.264 1.450 ( -0.088 0.000 -0.463) 0.471 1.501 ( -1.244 0.000 -1.009) 1.602 1.609 ( -11.599 0.000 -0.205) 11.601 1.752 ( -4.934 0.000 0.773) 4.995 1.821 ( -6.049 0.000 1.892) 6.338 1.915 ( -11.128 0.000 1.266) 11.200 1.968 ( -5.303 0.000 1.368) 5.477 2.036 ( -10.434 0.000 0.986) 10.480 2.058 ( -4.201 0.000 0.539) 4.236 2.200 ( -4.850 0.000 1.520) 5.083 2.282 ( -11.976 0.000 1.189) 12.035 2.362 ( -12.775 0.000 -2.184) 12.961 2.497 ( -12.681 0.000 -1.817) 12.811 2.541 ( -18.553 0.000 -1.279) 18.597 2.710 ( -11.765 0.000 4.140) 12.472 2.788 ( -4.945 0.000 -6.347) 8.046 2.796 ( 0.765 0.000 3.738) 3.816 2.970 ( -0.468 0.000 -0.505) 0.688 2.988 ( 1.818 0.000 -3.843) 4.251 3.214 ( 0.972 0.000 -2.393) 2.583 3.255 ( -5.124 0.000 -2.545) 5.721 3.312 ( 2.607 0.000 -0.876) 2.751 3.362 ( -1.723 0.000 4.540) 4.856 3.413 ( -0.179 0.000 -1.793) 1.802 3.504 ( -3.023 0.000 7.185) 7.795 3.560 ( -6.803 0.000 0.805) 6.850 3.752 ( -4.691 0.000 -2.329) 5.237 3.835 ( 3.457 0.000 1.412) 3.734 3.889 ( 1.055 0.000 2.511) 2.724 3.983 ( 4.107 0.000 -8.012) 9.004 4.082 ( 5.713 0.000 2.573) 6.266 4.140 ( 3.538 0.000 2.633) 4.410 4.190 ( 3.741 0.000 -1.195) 3.927 4.230 ( -0.151 0.000 -0.565) 0.585 4.454 ( -0.189 0.000 -1.077) 1.093 4.456 ( 2.281 0.000 1.645) 2.812 4.672 ( 7.623 0.000 -1.823) 7.838 4.686 ( 7.481 0.000 2.250) 7.812 4.790 ( 5.962 0.000 1.769) 6.219 4.853 ( 2.972 0.000 -2.923) 4.168 5.438 ( 2.313 0.000 0.101) 2.315 5.441 ( 2.446 0.000 0.054) 2.447 5.501 ( 1.001 0.000 0.460) 1.102 5.549 ( 2.016 0.000 -0.425) 2.061 5.577 ( 0.798 0.000 -0.515) 0.949 5.625 ( 0.115 0.000 0.767) 0.776 5.645 ( 1.928 0.000 8.935) 9.141 5.663 ( 2.584 0.000 -3.232) 4.138 5.946 ( 2.579 0.000 -1.182) 2.837 5.966 ( 0.900 0.000 -0.010) 0.900 6.006 ( 1.991 0.000 1.105) 2.277 6.089 ( 3.667 0.000 -3.026) 4.754 9.754 ( -3.224 0.000 0.730) 3.305 9.766 ( -0.762 0.000 -6.802) 6.844 9.806 ( -1.973 0.000 -0.458) 2.026 10.011 ( -0.514 0.000 0.375) 0.636 10.061 ( -3.912 0.000 -1.147) 4.077 10.150 ( 0.250 0.000 2.319) 2.332 10.386 ( 3.161 0.000 6.146) 6.911 10.510 ( 6.838 0.000 -2.992) 7.464 10.747 ( 0.645 0.000 -0.290) 0.707 10.778 ( 1.531 0.000 -0.211) 1.546 10.965 ( -2.600 0.000 -0.227) 2.609 11.020 ( -1.596 0.000 1.042) 1.906======================= Grid point 71 (29/76) =======================q-point: (-0.11 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.351 ( -11.300 0.000 13.293) 17.447 0.447 ( -15.387 0.000 14.713) 21.289 0.626 ( -23.858 0.000 13.434) 27.380 0.944 ( -12.811 0.000 -9.586) 16.000 1.143 ( -1.915 0.000 -8.312) 8.530 1.230 ( -4.647 0.000 5.748) 7.392 1.252 ( -9.544 0.000 -3.326) 10.107 1.272 ( -5.889 0.000 -2.949) 6.586 1.436 ( -4.411 0.000 0.802) 4.483 1.479 ( 1.334 0.000 2.030) 2.429 1.482 ( -0.639 0.000 -0.135) 0.653 1.633 ( -9.046 0.000 -2.017) 9.269 1.745 ( -4.317 0.000 -1.634) 4.616 1.802 ( 1.540 0.000 0.472) 1.611 1.876 ( -7.766 0.000 3.923) 8.701 1.927 ( -0.640 0.000 1.035) 1.217 2.068 ( -0.530 0.000 7.110) 7.130 2.103 ( -11.637 0.000 -3.831) 12.251 2.136 ( -2.146 0.000 -2.460) 3.265 2.201 ( -3.781 0.000 0.576) 3.825 2.256 ( -10.161 0.000 -0.376) 10.168 2.323 ( -5.327 0.000 5.217) 7.456 2.563 ( -9.827 0.000 5.532) 11.277 2.688 ( -0.430 0.000 -6.454) 6.468 2.853 ( 1.126 0.000 2.826) 3.042 2.938 ( -1.255 0.000 -5.146) 5.297 2.976 ( 1.497 0.000 -1.455) 2.087 3.176 ( -0.455 0.000 -3.745) 3.773 3.182 ( 2.130 0.000 -11.664) 11.856 3.350 ( 2.124 0.000 -1.807) 2.789 3.408 ( 1.075 0.000 0.675) 1.270 3.416 ( 0.456 0.000 0.395) 0.603 3.486 ( -4.152 0.000 7.920) 8.943 3.515 ( -2.655 0.000 5.283) 5.912 3.668 ( -2.024 0.000 -2.309) 3.071 3.869 ( 3.692 0.000 0.821) 3.782 3.937 ( -0.136 0.000 6.020) 6.021 4.044 ( 5.397 0.000 -1.517) 5.606 4.172 ( 1.996 0.000 0.477) 2.052 4.191 ( -3.689 0.000 -1.627) 4.032 4.209 ( 2.555 0.000 0.904) 2.710 4.250 ( 3.807 0.000 1.138) 3.974 4.418 ( -1.678 0.000 -0.419) 1.730 4.485 ( 0.564 0.000 -0.491) 0.748 4.770 ( 4.706 0.000 -1.202) 4.857 4.812 ( 5.348 0.000 1.198) 5.481 4.868 ( 1.031 0.000 -1.732) 2.016 4.876 ( 2.438 0.000 1.118) 2.682 5.475 ( 1.375 0.000 0.624) 1.509 5.481 ( 1.633 0.000 0.438) 1.691 5.520 ( 0.743 0.000 0.178) 0.764 5.568 ( 1.221 0.000 -1.766) 2.147 5.590 ( 0.858 0.000 0.101) 0.864 5.628 ( 0.215 0.000 -0.358) 0.418 5.680 ( 1.926 0.000 -2.509) 3.163 5.806 ( 6.586 0.000 8.527) 10.774 5.969 ( 1.111 0.000 -2.101) 2.377 5.979 ( 0.755 0.000 -0.255) 0.797 6.039 ( 0.116 0.000 2.183) 2.186 6.050 ( -4.702 0.000 -8.042) 9.316 9.690 ( -0.711 0.000 -0.651) 0.964 9.697 ( -2.990 0.000 0.406) 3.017 9.792 ( -1.116 0.000 1.744) 2.071 9.990 ( -1.384 0.000 -0.786) 1.592 9.994 ( -2.054 0.000 -0.761) 2.190 10.176 ( 0.244 0.000 0.564) 0.614 10.545 ( 8.359 0.000 12.754) 15.249 10.603 ( 5.527 0.000 -1.117) 5.639 10.762 ( 0.874 0.000 0.392) 0.958 10.808 ( 2.385 0.000 -0.579) 2.454 10.916 ( -2.819 0.000 0.070) 2.820 10.997 ( -1.871 0.000 -0.560) 1.953======================= Grid point 72 (30/76) =======================q-point: ( 0.00 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.324 ( -2.526 10.156 6.592) 12.368 0.417 ( -0.834 9.300 11.694) 14.965 0.746 ( 2.239 2.328 -12.123) 12.546 0.813 ( -2.483 14.315 21.012) 25.546 1.026 ( 1.019 -3.172 -14.550) 14.927 1.108 ( -0.343 -0.144 0.223) 0.433 1.132 ( -1.661 0.484 0.099) 1.733 1.272 ( 2.355 -4.244 2.011) 5.254 1.365 ( 0.522 -4.100 3.485) 5.406 1.425 ( 0.884 -2.343 1.951) 3.174 1.492 ( -2.719 -1.389 -0.363) 3.075 1.540 ( -0.509 0.040 2.810) 2.856 1.722 ( 1.808 -1.280 1.733) 2.812 1.748 ( -0.420 -2.801 4.347) 5.188 1.845 ( -0.823 0.011 -5.272) 5.335 1.919 ( 1.442 1.786 -3.168) 3.912 1.971 ( -0.783 1.107 -0.575) 1.473 2.040 ( 0.993 -1.259 -2.619) 3.071 2.145 ( 0.427 -2.716 6.203) 6.785 2.180 ( -0.082 6.150 -2.480) 6.632 2.263 ( -1.366 5.593 1.391) 5.924 2.457 ( -0.213 2.656 8.930) 9.319 2.503 ( -1.315 2.994 4.040) 5.197 2.645 ( 0.715 0.057 -4.984) 5.035 2.787 ( 1.215 -4.716 -9.105) 10.325 2.918 ( -1.880 -0.893 1.982) 2.874 2.977 ( 0.013 -1.651 -0.233) 1.668 3.054 ( 0.758 -0.729 -10.406) 10.459 3.191 ( 2.861 0.255 -1.709) 3.343 3.262 ( -0.939 -4.249 -3.931) 5.864 3.379 ( -3.894 0.543 3.239) 5.094 3.430 ( 0.580 1.109 1.008) 1.607 3.515 ( -1.977 3.058 1.169) 3.825 3.617 ( 2.369 1.349 -2.199) 3.502 3.711 ( 0.807 5.697 7.201) 9.217 3.861 ( -0.611 -2.132 -1.122) 2.486 3.989 ( -2.586 2.137 1.291) 3.595 4.093 ( 1.564 -3.117 -3.187) 4.724 4.140 ( 2.384 1.996 2.332) 3.887 4.216 ( 0.367 0.979 -0.424) 1.128 4.300 ( 0.478 1.702 4.621) 4.947 4.322 ( -0.013 0.928 3.877) 3.987 4.377 ( -0.201 -3.554 -0.969) 3.689 4.520 ( 0.973 -0.556 0.592) 1.268 4.776 ( -2.061 -1.905 1.743) 3.304 4.813 ( 1.283 -1.805 -0.663) 2.311 4.876 ( 0.359 -0.008 -0.116) 0.377 4.899 ( -0.894 0.020 -0.360) 0.964 5.458 ( -1.599 -2.800 1.433) 3.529 5.468 ( 0.868 -1.941 0.658) 2.225 5.513 ( -0.769 0.010 0.450) 0.891 5.542 ( 0.565 0.649 -0.761) 1.148 5.613 ( -2.168 0.309 1.557) 2.687 5.631 ( 0.368 1.461 -0.301) 1.536 5.684 ( -0.773 0.655 -2.107) 2.338 5.701 ( -0.527 0.529 -2.566) 2.672 5.969 ( 1.027 -0.761 0.307) 1.314 5.990 ( -0.680 0.014 -0.462) 0.822 6.049 ( -0.380 1.088 1.712) 2.064 6.188 ( 1.601 3.638 -7.608) 8.584 9.669 ( 0.195 -0.440 -0.085) 0.489 9.719 ( 0.408 -1.078 -3.029) 3.241 9.878 ( 2.469 1.534 2.745) 3.998 9.970 ( -1.020 -0.362 -0.622) 1.248 10.036 ( 3.394 3.111 1.535) 4.853 10.155 ( -3.654 1.356 -2.941) 4.883 10.495 ( -2.146 -14.331 10.485) 17.887 10.625 ( 2.943 -6.069 -0.160) 6.747 10.807 ( 0.946 0.830 2.156) 2.497 10.863 ( 0.373 -0.166 -0.062) 0.413 10.881 ( -0.624 0.952 -0.377) 1.199 10.926 ( -1.245 0.895 -3.074) 3.435======================= Grid point 73 (31/76) =======================q-point: ( 0.11 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.541 ( 5.322 3.177 12.115) 13.608 0.629 ( 18.493 4.734 5.445) 19.850 0.832 ( 13.504 2.191 -9.591) 16.707 0.946 ( 5.462 -0.240 -11.530) 12.761 0.981 ( 2.537 9.784 13.998) 17.266 1.204 ( 7.867 -0.200 -0.174) 7.871 1.223 ( 10.186 -0.376 1.916) 10.372 1.340 ( 4.875 -2.929 -0.614) 5.720 1.405 ( 0.568 -4.000 -0.548) 4.077 1.456 ( 2.427 -0.815 -0.437) 2.597 1.535 ( 5.469 -1.031 1.601) 5.791 1.582 ( 2.909 -0.336 2.162) 3.640 1.743 ( 0.885 -1.291 2.015) 2.552 1.825 ( 5.081 1.547 -1.614) 5.551 1.879 ( 8.786 -0.910 3.321) 9.437 1.975 ( 4.035 2.291 0.809) 4.710 1.989 ( 5.138 1.182 -3.455) 6.303 2.105 ( 10.809 0.228 -4.566) 11.736 2.188 ( 3.635 4.605 -0.392) 5.880 2.206 ( 5.647 4.397 0.519) 7.176 2.347 ( 3.118 -1.686 9.223) 9.881 2.504 ( 0.709 -2.360 -0.136) 2.468 2.553 ( 2.906 0.718 1.878) 3.534 2.637 ( 1.809 4.026 1.639) 4.708 2.745 ( 1.373 -5.405 -6.651) 8.680 2.914 ( 2.793 -1.998 -3.263) 4.737 2.926 ( -1.949 1.858 -3.823) 4.676 3.052 ( 3.706 -1.773 -1.504) 4.375 3.203 ( -0.870 -1.277 -5.111) 5.340 3.260 ( 4.799 -1.835 0.220) 5.143 3.327 ( -4.473 3.001 3.129) 6.230 3.447 ( -1.243 3.734 1.059) 4.076 3.496 ( 0.152 -2.257 2.273) 3.207 3.632 ( 2.209 1.490 -2.887) 3.929 3.786 ( 0.445 4.781 5.969) 7.660 3.812 ( -2.805 -0.190 -2.054) 3.482 3.968 ( -1.769 0.888 1.670) 2.590 4.069 ( -1.728 -3.090 -1.749) 3.949 4.170 ( -1.542 3.045 -0.592) 3.464 4.188 ( -1.849 0.967 -0.493) 2.144 4.313 ( -0.400 -0.396 -0.332) 0.654 4.326 ( -3.222 -0.154 4.063) 5.187 4.364 ( -0.533 -2.723 0.867) 2.907 4.502 ( -3.409 -0.240 -0.404) 3.441 4.728 ( -4.462 0.089 0.911) 4.555 4.803 ( -2.009 -0.494 -0.592) 2.152 4.839 ( -4.154 -0.409 -0.323) 4.187 4.869 ( -2.055 -1.017 0.696) 2.396 5.435 ( -1.653 -1.612 0.472) 2.357 5.477 ( -1.062 -1.149 1.598) 2.236 5.506 ( 0.087 0.025 -0.529) 0.537 5.544 ( -0.343 0.512 0.145) 0.633 5.574 ( -1.929 1.187 -0.260) 2.280 5.625 ( -1.201 1.343 -0.009) 1.802 5.643 ( -0.807 1.783 -0.792) 2.111 5.729 ( 1.841 -1.086 0.647) 2.233 5.962 ( -1.467 -0.700 -0.567) 1.721 5.981 ( -0.741 -0.905 0.075) 1.172 6.044 ( -0.808 1.738 0.888) 2.113 6.159 ( -0.283 1.276 -3.877) 4.092 9.696 ( 2.052 -0.663 -0.037) 2.156 9.722 ( 2.707 -1.843 -1.667) 3.675 9.931 ( 0.757 0.714 1.481) 1.810 9.957 ( 0.600 0.279 -1.954) 2.063 10.050 ( -3.415 -0.658 -1.891) 3.958 10.108 ( 1.864 2.324 3.345) 4.479 10.456 ( -7.205 -8.499 3.952) 11.823 10.625 ( -2.614 -5.564 -0.526) 6.170 10.800 ( -1.677 0.878 0.999) 2.140 10.831 ( -2.772 1.403 -0.599) 3.164 10.931 ( 2.632 0.133 -0.063) 2.636 10.937 ( 4.522 0.049 -0.763) 4.587======================= Grid point 74 (32/76) =======================q-point: ( 0.22 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.721 ( 5.825 -1.517 7.903) 9.934 0.894 ( 8.519 -0.275 -3.727) 9.303 0.931 ( 4.962 1.743 -0.606) 5.294 1.009 ( 4.554 3.644 -0.434) 5.849 1.174 ( 7.813 6.110 4.898) 11.061 1.297 ( 3.265 -2.341 -2.319) 4.639 1.379 ( 0.317 -3.468 -1.195) 3.682 1.400 ( 5.470 1.710 2.167) 6.127 1.413 ( 3.783 3.734 -4.523) 6.979 1.535 ( 3.171 1.578 0.695) 3.609 1.618 ( 7.547 -3.155 -3.095) 8.746 1.685 ( 5.765 -2.309 3.038) 6.914 1.833 ( 7.517 -1.301 0.902) 7.682 1.965 ( 10.605 1.697 -0.315) 10.744 2.069 ( 8.403 1.487 -0.647) 8.558 2.082 ( 8.201 5.016 0.886) 9.654 2.114 ( 8.863 -1.607 5.647) 10.631 2.281 ( 9.442 3.354 2.915) 10.435 2.352 ( 15.631 -1.706 -4.167) 16.267 2.409 ( 14.202 2.444 3.214) 14.765 2.425 ( 0.539 -4.408 -13.824) 14.520 2.483 ( 6.967 1.048 4.530) 8.376 2.698 ( 8.780 -3.156 0.359) 9.336 2.721 ( 4.053 -0.547 -2.184) 4.636 2.741 ( 2.454 1.720 7.716) 8.278 2.869 ( 0.104 1.366 -3.749) 3.991 2.977 ( 4.353 -3.034 -2.059) 5.691 3.095 ( 1.213 4.174 -0.948) 4.449 3.187 ( 3.917 0.812 -1.133) 4.158 3.320 ( 4.598 0.822 -0.603) 4.710 3.352 ( 3.875 -3.174 1.703) 5.290 3.425 ( -1.224 2.001 1.847) 2.985 3.543 ( 1.318 -4.643 4.412) 6.539 3.647 ( 1.088 0.360 -2.983) 3.196 3.740 ( -1.385 0.238 -2.336) 2.727 3.820 ( -0.343 5.533 1.330) 5.701 3.933 ( -3.167 1.438 -0.487) 3.512 4.028 ( -2.080 -3.987 1.710) 4.811 4.086 ( -5.029 3.875 -2.553) 6.843 4.145 ( -3.778 0.689 0.324) 3.854 4.275 ( -1.066 -0.556 -3.516) 3.716 4.300 ( -2.025 -2.719 0.885) 3.504 4.393 ( 0.636 -0.263 4.466) 4.519 4.413 ( -5.964 0.127 -0.105) 5.966 4.632 ( -7.377 0.987 0.622) 7.469 4.732 ( -6.552 0.727 -0.968) 6.663 4.740 ( -5.822 -1.255 0.970) 6.034 4.825 ( -3.300 -1.915 -0.811) 3.901 5.406 ( -1.865 -1.260 -0.229) 2.262 5.457 ( -2.436 0.041 1.290) 2.756 5.499 ( -0.491 -0.949 -1.196) 1.604 5.523 ( -2.105 0.935 0.774) 2.430 5.554 ( 0.238 0.221 -1.156) 1.200 5.599 ( -2.027 2.046 0.754) 2.977 5.628 ( -0.913 0.480 0.710) 1.252 5.746 ( -1.082 -1.158 1.350) 2.082 5.929 ( -1.630 -0.904 -0.628) 1.967 5.957 ( -1.583 -0.990 0.021) 1.867 6.034 ( -1.487 1.861 0.506) 2.435 6.106 ( -3.136 1.643 -1.421) 3.815 9.712 ( 0.664 -0.378 -1.650) 1.818 9.787 ( 3.957 -0.233 0.348) 3.979 9.889 ( -1.455 -0.183 -2.088) 2.551 9.976 ( 1.460 -1.526 -0.599) 2.195 10.059 ( 2.713 -0.878 1.403) 3.178 10.150 ( 0.263 2.917 2.189) 3.657 10.349 ( -6.621 -5.838 1.034) 8.888 10.544 ( -4.834 -3.804 -1.714) 6.386 10.768 ( -1.848 0.535 -0.845) 2.101 10.796 ( -1.360 1.904 0.733) 2.453 10.975 ( 2.637 -0.030 -0.491) 2.682 11.002 ( 2.509 -0.143 0.906) 2.672======================= Grid point 75 (33/76) =======================q-point: ( 0.33 0.17 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( 7.122 -4.390 -0.328) 8.373 0.928 ( -2.376 -0.696 -0.887) 2.630 1.015 ( 6.256 4.219 1.164) 7.635 1.064 ( -1.189 0.723 5.966) 6.126 1.219 ( -3.068 -1.929 -1.190) 3.814 1.301 ( 2.075 -0.413 -3.159) 3.802 1.410 ( 0.914 2.060 -2.056) 3.051 1.451 ( 4.079 5.596 -1.076) 7.008 1.480 ( 3.630 0.179 0.280) 3.645 1.531 ( -1.099 5.500 -1.689) 5.858 1.737 ( 5.693 -5.054 -1.266) 7.717 1.790 ( 3.540 -2.128 1.206) 4.303 1.993 ( 7.812 -0.265 1.645) 7.988 2.062 ( 2.511 0.896 -0.665) 2.748 2.227 ( 5.397 0.162 -1.860) 5.711 2.271 ( 10.210 3.605 -2.636) 11.144 2.319 ( 9.913 -0.362 6.768) 12.009 2.334 ( 5.243 -1.633 -9.769) 11.206 2.473 ( 8.674 -0.249 2.984) 9.176 2.565 ( 8.553 -2.552 -1.383) 9.032 2.643 ( 7.483 0.075 2.529) 7.899 2.692 ( 8.695 0.570 3.628) 9.439 2.746 ( 5.418 -2.148 -1.217) 5.954 2.820 ( 4.211 0.236 -1.150) 4.372 2.899 ( 0.329 2.393 1.203) 2.699 2.919 ( 8.705 -1.557 0.743) 8.875 3.021 ( 11.456 3.729 0.950) 12.085 3.165 ( 3.368 5.470 3.321) 7.232 3.278 ( 6.713 -0.777 -2.361) 7.158 3.419 ( 4.956 -1.160 2.075) 5.497 3.445 ( 6.290 -1.096 -2.093) 6.719 3.495 ( 6.250 -2.753 1.484) 6.989 3.596 ( 1.114 -3.914 0.429) 4.092 3.624 ( 2.853 -1.351 1.915) 3.692 3.762 ( 4.049 3.076 -2.150) 5.521 3.795 ( -3.401 3.366 -0.042) 4.785 3.875 ( -1.282 0.764 -1.495) 2.113 3.968 ( -5.177 2.104 -2.730) 6.219 4.005 ( -3.700 -1.477 0.880) 4.080 4.086 ( -1.800 -1.851 0.917) 2.740 4.228 ( -0.690 0.795 -4.255) 4.384 4.276 ( -3.510 0.718 -0.223) 3.590 4.299 ( -6.019 -2.298 3.604) 7.382 4.432 ( -0.784 -0.755 1.310) 1.703 4.479 ( -10.210 1.572 1.838) 10.492 4.584 ( -8.252 0.249 -1.124) 8.332 4.644 ( -6.405 -0.963 1.680) 6.691 4.739 ( -4.535 -1.814 -2.619) 5.542 5.366 ( -2.027 -1.157 -0.930) 2.512 5.416 ( -2.643 0.075 0.337) 2.665 5.477 ( -0.818 -0.235 -0.493) 0.984 5.492 ( -2.145 0.713 0.622) 2.345 5.554 ( 0.428 -0.624 -0.624) 0.981 5.570 ( -2.047 2.467 1.461) 3.523 5.623 ( -0.540 -0.101 1.035) 1.172 5.719 ( -2.098 -0.608 -0.358) 2.214 5.897 ( -1.337 -0.942 -0.535) 1.721 5.931 ( -1.364 -1.184 -0.094) 1.808 5.998 ( -2.503 1.916 0.159) 3.156 6.035 ( -3.984 2.293 0.253) 4.603 9.702 ( 0.074 0.778 -0.836) 1.144 9.835 ( 0.970 2.482 0.927) 2.821 9.900 ( 3.542 -3.434 -1.596) 5.185 9.979 ( -0.796 -2.416 -0.719) 2.643 10.108 ( -0.171 -1.555 2.661) 3.087 10.170 ( 2.365 3.733 -0.621) 4.462 10.259 ( -4.050 -5.583 0.184) 6.899 10.452 ( -3.535 -1.119 -1.855) 4.146 10.738 ( -0.880 0.772 -0.178) 1.184 10.783 ( -0.635 1.169 0.168) 1.341 11.012 ( 1.945 0.029 -0.342) 1.975 11.039 ( 0.950 -0.205 0.755) 1.231======================= Grid point 76 (34/76) =======================q-point: ( 0.44 0.17 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.870 ( -0.887 -2.057 -0.380) 2.272 0.994 ( 5.195 -2.936 0.755) 6.015 1.007 ( -5.634 -3.530 0.897) 6.709 1.140 ( -1.283 5.246 5.374) 7.619 1.163 ( 2.380 0.057 -3.338) 4.101 1.310 ( 1.041 -0.540 -0.718) 1.375 1.395 ( 0.349 3.021 -2.713) 4.076 1.490 ( 1.648 1.539 -1.285) 2.595 1.502 ( -0.426 6.152 -1.109) 6.266 1.531 ( 1.956 1.342 -0.595) 2.446 1.789 ( 1.889 -5.561 -1.425) 6.043 1.815 ( -0.587 -2.761 -1.123) 3.037 2.075 ( 0.218 1.097 1.559) 1.919 2.117 ( 4.524 1.816 -1.101) 4.997 2.217 ( 0.340 -0.803 -5.306) 5.377 2.279 ( -2.107 0.391 -4.485) 4.971 2.480 ( 9.569 1.942 -2.676) 10.124 2.511 ( 5.205 1.095 2.765) 5.995 2.622 ( 5.207 -1.881 2.499) 6.075 2.674 ( 3.106 -1.381 4.357) 5.526 2.710 ( 0.693 -4.412 1.063) 4.591 2.769 ( -1.682 0.635 4.996) 5.310 2.797 ( 1.438 -0.990 -1.601) 2.369 2.872 ( -3.590 3.257 1.591) 5.102 2.943 ( 7.286 1.938 2.216) 7.858 3.062 ( 6.622 -1.477 0.169) 6.787 3.204 ( -0.004 6.466 0.336) 6.475 3.264 ( -3.173 -3.021 -0.233) 4.387 3.347 ( 13.406 1.012 0.491) 13.454 3.524 ( 4.151 -0.099 -0.835) 4.236 3.554 ( 6.139 -1.749 0.619) 6.414 3.583 ( 7.108 -1.727 -0.372) 7.324 3.666 ( 0.732 0.623 -0.654) 1.163 3.684 ( -4.213 0.858 0.426) 4.320 3.736 ( -4.438 3.403 2.218) 6.016 3.777 ( 3.601 -0.905 -0.280) 3.723 3.887 ( 3.697 -1.486 0.295) 3.995 3.916 ( -5.023 -1.431 -1.572) 5.455 3.954 ( 6.608 -0.269 -2.760) 7.166 4.084 ( -0.273 -2.429 -0.300) 2.463 4.156 ( -5.619 2.043 -0.375) 5.991 4.196 ( 0.388 2.619 -1.634) 3.111 4.263 ( -5.606 -0.422 1.928) 5.943 4.294 ( -7.665 0.661 2.445) 8.073 4.410 ( -3.265 -3.241 1.873) 4.967 4.463 ( -4.425 0.259 -0.779) 4.501 4.566 ( -3.112 1.347 -0.706) 3.464 4.658 ( -0.469 -3.079 -2.638) 4.082 5.331 ( -0.877 -1.433 -0.242) 1.698 5.383 ( -1.013 -0.538 -0.613) 1.301 5.461 ( -1.222 0.852 0.732) 1.660 5.471 ( 0.123 0.800 -0.255) 0.848 5.547 ( -1.161 1.112 1.667) 2.316 5.569 ( 0.536 0.678 0.558) 1.029 5.619 ( -0.791 -0.436 0.327) 0.961 5.680 ( -1.076 -0.425 -1.816) 2.153 5.878 ( -0.342 -0.738 -0.245) 0.849 5.907 ( -0.792 -0.515 -0.914) 1.315 5.969 ( -0.685 1.818 0.388) 1.981 5.983 ( -2.216 2.062 0.871) 3.150 9.714 ( 0.864 1.003 1.753) 2.196 9.848 ( 0.096 1.394 -0.208) 1.413 9.943 ( -0.206 -1.101 -1.138) 1.597 9.944 ( 0.408 -3.449 -0.903) 3.588 10.109 ( -0.245 -1.961 0.856) 2.154 10.204 ( -1.740 -3.088 -1.186) 3.738 10.222 ( 2.053 0.373 1.889) 2.815 10.393 ( -1.386 1.014 -2.202) 2.792 10.733 ( 0.017 0.858 0.581) 1.036 10.775 ( -0.246 0.475 -0.389) 0.662 11.036 ( 0.973 0.042 -0.062) 0.976 11.049 ( -0.182 -0.127 0.219) 0.312======================= Grid point 77 (35/76) =======================q-point: (-0.44 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( -4.099 -1.209 -0.288) 4.283 0.932 ( 1.222 -5.348 1.577) 5.708 1.000 ( -6.267 2.006 1.338) 6.715 1.141 ( 0.800 3.577 3.582) 5.125 1.199 ( 2.974 1.131 -6.031) 6.819 1.328 ( 1.137 -1.961 -0.037) 2.267 1.395 ( 0.630 0.229 0.404) 0.783 1.482 ( -0.199 -0.007 -2.127) 2.136 1.506 ( 0.279 4.950 -0.238) 4.964 1.544 ( 0.541 3.688 -0.756) 3.803 1.768 ( -2.713 -4.229 -2.207) 5.488 1.792 ( -0.106 -5.514 -1.070) 5.617 2.065 ( -3.936 1.808 1.763) 4.677 2.147 ( -4.610 0.654 -1.756) 4.976 2.154 ( -0.305 1.654 -1.462) 2.229 2.199 ( -0.830 2.694 -4.409) 5.234 2.476 ( -7.217 0.119 -1.416) 7.355 2.574 ( -0.083 3.173 -2.923) 4.315 2.640 ( -4.995 -1.831 1.102) 5.433 2.694 ( -2.421 -2.354 1.860) 3.855 2.749 ( -3.686 -3.177 2.465) 5.455 2.781 ( -0.087 -0.321 7.890) 7.897 2.819 ( -1.385 0.865 0.636) 1.752 2.836 ( 1.463 1.098 2.052) 2.749 3.017 ( -1.161 -3.232 1.101) 3.607 3.083 ( -5.846 -1.397 1.012) 6.095 3.140 ( -5.244 3.127 -2.623) 6.645 3.208 ( 0.125 4.384 0.897) 4.477 3.459 ( -6.604 -1.135 1.721) 6.919 3.487 ( -8.067 -1.009 -1.997) 8.372 3.532 ( -7.319 -1.138 0.269) 7.412 3.579 ( -0.356 -1.343 1.740) 2.226 3.666 ( 0.874 4.177 -3.372) 5.439 3.701 ( -3.334 1.081 3.317) 4.826 3.755 ( -1.523 2.279 1.161) 2.977 3.792 ( 2.361 3.878 1.720) 4.855 3.817 ( 4.243 -5.211 -4.283) 7.969 3.923 ( -0.614 -2.450 -2.091) 3.279 4.026 ( -2.657 0.394 0.895) 2.831 4.065 ( -1.130 -1.557 1.890) 2.697 4.125 ( 1.513 0.946 -5.012) 5.321 4.180 ( 4.527 0.157 -2.512) 5.180 4.255 ( 2.604 -0.123 3.849) 4.649 4.315 ( 7.240 0.486 3.572) 8.087 4.408 ( 0.405 -1.326 0.332) 1.425 4.450 ( 4.750 1.446 -0.965) 5.058 4.534 ( 1.611 0.176 0.447) 1.681 4.682 ( 4.605 -4.516 -3.139) 7.173 5.338 ( 1.108 -2.094 0.420) 2.406 5.371 ( 0.770 -1.441 -1.267) 2.067 5.457 ( 0.365 1.360 0.214) 1.424 5.491 ( 2.244 1.271 -0.005) 2.579 5.553 ( -0.310 1.451 2.747) 3.122 5.582 ( 0.075 0.319 0.805) 0.869 5.602 ( -0.708 0.119 -0.230) 0.754 5.660 ( 0.751 -0.276 -2.335) 2.469 5.878 ( 0.445 -0.701 -0.140) 0.842 5.905 ( 1.603 0.148 -0.905) 1.846 5.970 ( 0.351 2.079 0.712) 2.226 5.991 ( 2.398 1.566 0.477) 2.903 9.756 ( 1.319 1.484 3.376) 3.917 9.830 ( -1.167 0.624 -1.242) 1.814 9.901 ( -1.730 -3.287 -2.170) 4.302 9.961 ( 0.933 -2.536 -0.697) 2.790 10.109 ( -2.003 -2.294 1.525) 3.406 10.180 ( 0.848 -0.619 -1.209) 1.602 10.271 ( 1.264 0.346 2.772) 3.066 10.368 ( 1.338 0.413 -3.490) 3.761 10.744 ( 0.347 0.676 0.910) 1.186 10.767 ( -0.078 0.506 -0.724) 0.887 11.036 ( -1.143 -0.069 -0.079) 1.148 11.047 ( 0.003 0.194 0.237) 0.307======================= Grid point 78 (36/76) =======================q-point: (-0.33 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.746 ( -7.087 2.914 -1.666) 7.841 0.851 ( -11.081 4.540 2.584) 12.251 1.041 ( 4.796 -4.715 4.272) 7.967 1.142 ( -2.236 3.485 -1.616) 4.445 1.206 ( 1.614 -0.249 -1.587) 2.277 1.333 ( -0.261 -1.858 -1.648) 2.497 1.397 ( -1.645 -2.001 1.197) 2.853 1.457 ( -0.014 0.163 -3.373) 3.377 1.487 ( -3.008 2.562 -0.040) 3.951 1.543 ( 0.048 3.050 -0.849) 3.167 1.691 ( -5.078 -4.895 -0.844) 7.103 1.772 ( -1.984 -4.700 0.520) 5.128 1.939 ( -9.888 -1.599 0.244) 10.019 2.039 ( -6.082 0.331 -0.537) 6.114 2.125 ( -4.376 5.293 2.794) 7.414 2.153 ( -2.660 3.152 -3.333) 5.303 2.276 ( -11.527 2.538 -1.583) 11.909 2.426 ( -11.824 4.698 -1.632) 12.827 2.507 ( -11.811 -1.744 0.697) 11.959 2.580 ( -10.984 -0.337 1.077) 11.042 2.687 ( -6.460 -4.534 2.005) 8.143 2.734 ( -5.890 1.527 -2.221) 6.478 2.818 ( -3.513 -1.665 0.876) 3.985 2.899 ( 1.768 2.108 0.659) 2.829 2.911 ( -9.478 -3.481 -1.444) 10.200 2.981 ( -8.109 3.306 -0.359) 8.764 2.991 ( -7.097 -4.748 4.385) 9.599 3.195 ( -3.932 -0.262 3.106) 5.018 3.327 ( -4.691 1.727 -0.963) 5.091 3.347 ( -5.923 -2.126 0.395) 6.305 3.443 ( -2.799 2.278 0.198) 3.614 3.517 ( -6.863 0.661 2.234) 7.248 3.547 ( -3.779 3.905 -1.055) 5.536 3.695 ( -7.385 0.075 -1.272) 7.494 3.729 ( 1.573 -1.663 0.472) 2.338 3.811 ( 0.538 2.144 -0.118) 2.213 3.887 ( 3.697 -2.540 -2.895) 5.339 3.951 ( 1.141 -1.313 -2.922) 3.401 3.982 ( 4.007 0.484 2.703) 4.858 4.066 ( 2.638 1.627 1.695) 3.532 4.169 ( 3.594 1.155 -4.880) 6.170 4.234 ( 2.486 1.278 -0.043) 2.796 4.357 ( 3.999 -1.768 3.568) 5.643 4.423 ( 0.733 -1.232 1.016) 1.757 4.500 ( 9.396 -0.445 2.395) 9.706 4.564 ( 8.146 1.465 -1.532) 8.417 4.637 ( 7.375 -1.337 1.712) 7.688 4.743 ( 5.191 -5.152 -3.397) 8.064 5.359 ( 1.667 -2.133 -0.769) 2.814 5.397 ( 2.160 -2.086 0.257) 3.014 5.478 ( 1.933 1.453 -0.244) 2.431 5.536 ( 2.662 0.730 -0.746) 2.859 5.561 ( -0.828 -0.206 0.114) 0.861 5.595 ( 0.439 1.676 3.783) 4.161 5.614 ( 1.740 0.636 0.683) 1.974 5.660 ( 1.220 0.297 -2.065) 2.417 5.897 ( 1.927 -0.783 -0.334) 2.106 5.935 ( 1.989 -0.653 -0.187) 2.102 5.996 ( 1.882 2.985 0.236) 3.537 6.061 ( 4.981 2.627 0.207) 5.635 9.789 ( -1.474 -0.254 0.044) 1.496 9.809 ( 0.386 2.239 0.475) 2.321 9.847 ( -1.394 -2.637 -2.801) 4.092 9.964 ( -0.144 -3.244 0.427) 3.275 10.073 ( -2.805 -3.588 1.500) 4.795 10.179 ( -1.274 2.729 -0.589) 3.069 10.319 ( 1.505 0.318 3.250) 3.596 10.395 ( 5.446 -2.545 -4.277) 7.377 10.753 ( 0.249 0.627 -0.428) 0.799 10.772 ( 1.138 1.219 0.440) 1.725 11.007 ( -1.962 0.050 -0.191) 1.972 11.044 ( -0.821 0.404 0.598) 1.093======================= Grid point 79 (37/76) =======================q-point: (-0.22 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.595 ( -8.741 8.319 -1.836) 12.205 0.684 ( -11.777 7.326 8.288) 16.157 0.999 ( -12.340 5.448 1.365) 13.558 1.140 ( -0.139 -3.582 -0.023) 3.585 1.208 ( -0.572 -0.444 -2.450) 2.555 1.280 ( -4.166 -0.028 -1.850) 4.559 1.360 ( -4.748 -2.168 1.693) 5.487 1.387 ( -4.560 -3.507 -2.579) 6.304 1.419 ( -2.443 1.314 -2.315) 3.613 1.534 ( -2.693 -1.079 1.199) 3.139 1.543 ( -10.049 -3.552 0.453) 10.668 1.723 ( -3.990 -2.318 0.094) 4.615 1.776 ( -9.290 -2.909 3.492) 10.342 1.923 ( -10.278 -0.964 2.144) 10.543 1.990 ( -6.903 -0.878 -2.898) 7.538 2.022 ( -7.679 3.856 0.476) 8.606 2.147 ( -6.697 6.955 -0.763) 9.685 2.237 ( -7.884 1.895 0.251) 8.113 2.310 ( -6.674 3.276 2.068) 7.717 2.353 ( -14.124 -0.707 -1.558) 14.227 2.527 ( -11.642 1.279 1.293) 11.783 2.553 ( -15.095 1.754 -1.754) 15.298 2.645 ( -8.522 -2.190 0.861) 8.841 2.768 ( -3.846 -2.389 -4.438) 6.340 2.859 ( -4.238 2.642 4.004) 6.401 2.939 ( 1.066 -1.673 -3.718) 4.214 2.963 ( -0.657 -2.859 0.644) 3.003 3.159 ( -0.882 -2.254 -0.732) 2.529 3.260 ( -3.783 -1.678 0.781) 4.211 3.297 ( -0.392 0.844 -3.709) 3.824 3.394 ( -2.131 0.354 3.941) 4.494 3.473 ( -3.357 -1.314 2.269) 4.260 3.526 ( 1.941 8.346 2.175) 8.841 3.562 ( -4.879 0.054 -1.726) 5.175 3.733 ( -4.071 -1.593 -2.502) 5.037 3.799 ( 3.932 -2.970 0.463) 4.949 3.940 ( 1.925 5.065 2.336) 5.901 4.009 ( 5.568 2.332 -4.771) 7.694 4.069 ( 4.401 -1.098 3.657) 5.827 4.138 ( 0.548 -2.545 -2.220) 3.421 4.169 ( 4.365 1.819 -0.805) 4.797 4.276 ( 0.967 2.451 0.703) 2.727 4.427 ( -0.389 -2.056 -0.418) 2.134 4.439 ( 2.027 -2.427 2.703) 4.160 4.659 ( 6.938 -1.025 1.061) 7.093 4.692 ( 6.711 0.025 -0.270) 6.716 4.761 ( 5.150 -2.886 -0.296) 5.911 4.811 ( 4.748 -2.102 -0.734) 5.245 5.391 ( 2.462 -2.345 -0.255) 3.409 5.435 ( 1.460 -2.001 0.979) 2.663 5.512 ( 1.941 1.172 -0.454) 2.312 5.544 ( -0.619 -0.192 -0.550) 0.850 5.572 ( 2.178 -0.076 -0.661) 2.278 5.628 ( 0.286 0.522 2.084) 2.167 5.661 ( 2.076 -0.299 -2.240) 3.069 5.679 ( 1.970 1.470 3.435) 4.224 5.934 ( 2.372 -0.865 -0.327) 2.546 5.966 ( 1.581 -1.115 -0.020) 1.935 6.026 ( 1.049 3.265 0.060) 3.429 6.156 ( 5.786 4.323 -1.105) 7.306 9.733 ( -2.413 -1.733 -3.153) 4.332 9.801 ( -1.557 -0.119 1.440) 2.124 9.813 ( -0.825 3.068 -3.280) 4.567 9.982 ( 0.889 -0.527 0.936) 1.394 10.044 ( -2.680 -4.515 3.606) 6.370 10.136 ( -1.940 1.560 -0.331) 2.512 10.371 ( 1.038 -1.605 3.164) 3.697 10.472 ( 6.664 -3.872 -3.607) 8.510 10.756 ( 0.629 0.963 -0.402) 1.219 10.807 ( 2.239 1.828 0.363) 2.913 10.967 ( -2.467 0.258 -0.122) 2.483 11.028 ( -1.548 0.341 0.527) 1.671======================= Grid point 80 (38/76) =======================q-point: (-0.11 0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.437 ( -8.454 10.781 3.792) 14.216 0.546 ( -15.962 7.395 6.891) 18.893 0.772 ( -13.945 12.578 13.959) 23.399 0.966 ( -13.414 2.772 -7.931) 15.828 1.120 ( 0.284 -2.863 -10.816) 11.192 1.203 ( -7.160 -1.148 1.255) 7.359 1.243 ( -8.547 -1.199 2.291) 8.929 1.281 ( -6.859 -2.495 -0.639) 7.327 1.387 ( -4.952 -5.224 0.930) 7.258 1.390 ( 1.175 -2.339 0.997) 2.801 1.530 ( -1.797 0.631 4.106) 4.526 1.619 ( -9.523 -1.757 -0.424) 9.693 1.696 ( -0.396 -3.053 1.795) 3.564 1.761 ( -6.894 -2.552 4.016) 8.376 1.888 ( -1.308 2.872 -4.355) 5.378 1.993 ( -2.232 -4.103 6.978) 8.397 2.027 ( -3.558 5.518 -0.090) 6.566 2.074 ( -10.662 -2.004 -3.762) 11.483 2.148 ( -4.258 -0.309 -2.042) 4.733 2.252 ( -5.324 3.843 -1.849) 6.821 2.345 ( -5.962 7.943 -3.035) 10.385 2.394 ( -3.325 4.891 8.447) 10.312 2.542 ( -6.287 -0.503 4.216) 7.586 2.684 ( -0.576 -0.913 -5.740) 5.841 2.843 ( -0.161 -2.419 -4.124) 4.784 2.917 ( -1.339 -0.876 2.450) 2.926 2.964 ( 1.036 -1.704 -0.284) 2.014 3.126 ( 0.792 -2.278 -8.116) 8.466 3.202 ( -1.259 0.779 -3.523) 3.822 3.278 ( 1.003 -2.947 -1.235) 3.349 3.417 ( -0.208 0.480 2.292) 2.351 3.437 ( -3.262 -2.975 -0.687) 4.468 3.512 ( -1.688 0.883 5.497) 5.817 3.577 ( 2.311 7.181 0.690) 7.575 3.678 ( -1.284 1.886 1.161) 2.560 3.849 ( 2.023 -1.121 -0.517) 2.370 3.994 ( 1.418 3.969 3.045) 5.200 4.062 ( 3.885 2.593 -2.655) 5.372 4.116 ( 0.098 -3.528 -2.043) 4.078 4.171 ( 3.237 -1.714 2.719) 4.562 4.239 ( 2.118 2.691 2.290) 4.119 4.287 ( 1.043 1.960 0.208) 2.230 4.398 ( -1.801 -1.871 -0.065) 2.597 4.488 ( 1.288 -0.995 1.913) 2.512 4.758 ( 3.057 -1.575 1.261) 3.663 4.777 ( 3.057 -2.867 -0.209) 4.196 4.832 ( 4.083 -0.249 -0.422) 4.112 4.881 ( 2.770 -0.548 0.289) 2.838 5.434 ( 2.019 -2.457 0.597) 3.236 5.461 ( 0.271 -2.460 1.290) 2.791 5.526 ( -0.673 -0.830 0.061) 1.070 5.536 ( 0.970 1.168 -1.068) 1.856 5.602 ( 1.677 0.605 -0.331) 1.813 5.637 ( -0.505 0.494 0.699) 0.994 5.674 ( 1.757 -0.421 -2.026) 2.715 5.740 ( 0.590 -2.100 2.348) 3.205 5.960 ( 0.678 -0.963 -0.870) 1.464 5.989 ( 1.040 -0.564 0.115) 1.189 6.035 ( 0.111 2.736 0.630) 2.809 6.216 ( 3.656 5.212 -6.525) 9.117 9.683 ( -1.041 -0.454 -0.941) 1.475 9.752 ( -1.350 0.763 -3.209) 3.564 9.815 ( 1.144 3.450 2.091) 4.193 9.984 ( -0.186 0.515 0.199) 0.583 10.018 ( -1.972 1.478 -0.460) 2.507 10.161 ( 2.180 -0.912 3.478) 4.205 10.409 ( -0.528 -8.110 7.461) 11.032 10.558 ( 5.302 -4.605 -1.694) 7.224 10.770 ( 1.152 1.109 0.428) 1.656 10.846 ( 1.835 1.337 -0.242) 2.283 10.921 ( -2.612 0.529 -0.092) 2.667 10.991 ( -2.698 -0.628 -1.050) 2.962======================= Grid point 81 (39/76) =======================q-point: ( 0.00 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.527 ( -0.844 10.887 3.267) 11.398 0.646 ( -0.013 11.453 0.103) 11.453 0.824 ( 1.680 5.770 -4.908) 7.759 0.939 ( 1.311 0.444 -4.214) 4.435 1.033 ( -0.700 0.686 -2.402) 2.594 1.091 ( -1.396 -3.072 -0.335) 3.390 1.131 ( 1.131 -7.123 0.793) 7.256 1.162 ( -0.586 1.664 -0.833) 1.951 1.295 ( 1.434 0.191 6.800) 6.952 1.415 ( 0.457 0.073 5.183) 5.204 1.455 ( -3.614 -2.510 3.941) 5.907 1.522 ( -1.405 -2.410 5.540) 6.203 1.683 ( 0.599 -1.500 3.336) 3.707 1.746 ( 0.193 -0.865 4.333) 4.422 1.822 ( 0.339 1.219 -0.137) 1.273 1.936 ( 1.109 -0.359 -3.896) 4.067 1.977 ( 0.725 -0.771 -1.234) 1.625 2.045 ( 0.398 -2.645 7.562) 8.022 2.119 ( 2.294 5.281 -5.778) 8.156 2.296 ( -0.385 3.878 -2.374) 4.563 2.384 ( -2.441 4.261 2.500) 5.510 2.486 ( 0.780 3.390 -2.942) 4.556 2.549 ( -1.094 0.268 3.159) 3.353 2.637 ( 1.102 -0.722 -2.948) 3.229 2.722 ( -1.485 -1.630 -1.910) 2.917 2.852 ( -2.481 -5.582 -0.725) 6.151 2.952 ( 1.193 0.194 -2.183) 2.496 3.034 ( 0.775 -1.806 -8.211) 8.443 3.198 ( 0.979 0.710 -2.650) 2.913 3.216 ( 0.897 -0.557 -4.159) 4.291 3.394 ( -1.408 1.448 4.954) 5.350 3.473 ( -0.582 2.965 4.132) 5.119 3.505 ( -0.198 -3.879 2.880) 4.835 3.619 ( 1.042 -2.251 -1.772) 3.049 3.791 ( -0.135 4.156 1.312) 4.360 3.876 ( -0.584 1.980 -0.075) 2.066 4.043 ( -0.442 1.511 -0.001) 1.575 4.097 ( 0.552 5.367 -3.438) 6.397 4.180 ( 0.776 -1.409 4.582) 4.856 4.211 ( 1.400 1.437 0.763) 2.146 4.296 ( 0.620 -0.294 -0.839) 1.084 4.330 ( -0.691 -0.549 -1.258) 1.537 4.368 ( -0.803 1.231 6.557) 6.720 4.459 ( -0.953 -5.279 3.570) 6.444 4.755 ( -0.305 -0.697 0.728) 1.054 4.772 ( 0.260 -1.962 0.477) 2.036 4.880 ( 0.231 0.262 -0.602) 0.696 4.894 ( 0.100 -0.411 -0.775) 0.883 5.423 ( -0.379 -1.105 0.817) 1.425 5.434 ( 0.711 -1.533 0.848) 1.891 5.519 ( 0.121 0.579 -0.583) 0.830 5.546 ( 0.675 -0.324 -1.619) 1.784 5.623 ( -1.291 0.821 1.603) 2.216 5.659 ( 0.512 1.212 -0.364) 1.365 5.673 ( 0.560 -1.147 -0.524) 1.380 5.698 ( -1.086 -0.511 -1.812) 2.173 5.968 ( 0.501 0.582 1.021) 1.277 5.993 ( -0.771 -0.078 1.065) 1.317 6.080 ( -0.098 2.471 -0.955) 2.651 6.196 ( 0.271 -2.015 -6.002) 6.338 9.667 ( -0.255 0.391 -0.620) 0.776 9.702 ( 0.223 -0.850 -3.065) 3.189 9.900 ( 0.931 0.858 2.979) 3.237 9.947 ( -1.008 -1.802 1.517) 2.562 10.100 ( 1.711 3.435 1.104) 3.993 10.203 ( -4.914 3.314 -2.328) 6.368 10.300 ( 1.837 -6.392 6.673) 9.421 10.487 ( 2.110 -8.190 -2.144) 8.725 10.828 ( 0.614 1.203 0.974) 1.665 10.858 ( 0.223 -0.369 -0.107) 0.444 10.901 ( -0.333 1.102 -0.391) 1.216 10.929 ( -0.715 -0.277 -1.854) 2.007======================= Grid point 82 (40/76) =======================q-point: ( 0.11 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.686 ( 4.472 10.658 3.751) 12.151 0.735 ( 13.189 6.298 0.432) 14.622 0.933 ( 10.138 8.131 -5.130) 13.972 0.944 ( 7.582 0.501 -8.719) 11.565 1.082 ( 4.031 -2.151 4.863) 6.672 1.158 ( 8.065 -3.275 0.238) 8.708 1.178 ( 4.504 -6.852 0.380) 8.209 1.245 ( 11.160 -4.050 -1.502) 11.967 1.388 ( 1.407 4.135 6.950) 8.209 1.471 ( 3.187 0.110 0.420) 3.217 1.514 ( 4.512 -0.746 3.600) 5.820 1.562 ( 1.354 -1.312 3.827) 4.267 1.733 ( 1.963 0.446 4.550) 4.975 1.824 ( 4.706 -3.772 5.806) 8.372 1.886 ( 6.124 5.132 0.111) 7.990 2.014 ( 8.782 1.732 -4.730) 10.124 2.024 ( 8.556 -0.176 -2.266) 8.853 2.129 ( 8.176 3.758 -4.323) 9.983 2.204 ( 6.942 -4.104 4.390) 9.182 2.284 ( 1.325 1.999 -1.198) 2.681 2.396 ( 1.039 5.197 2.405) 5.820 2.461 ( 1.939 1.886 -6.868) 7.382 2.570 ( 1.328 -0.217 2.235) 2.609 2.648 ( 2.270 -1.843 -1.358) 3.224 2.719 ( 0.380 1.184 3.932) 4.124 2.821 ( 0.671 -6.792 -0.522) 6.845 2.950 ( 0.524 1.144 -5.409) 5.553 3.006 ( 3.649 -2.522 -3.070) 5.394 3.201 ( 1.877 0.470 -3.351) 3.870 3.230 ( 4.127 -0.863 -2.776) 5.048 3.393 ( -4.221 3.339 5.117) 7.426 3.454 ( -2.829 -1.384 2.244) 3.867 3.532 ( -0.672 3.500 0.308) 3.578 3.614 ( 1.882 -3.237 -2.462) 4.481 3.788 ( -2.517 0.493 0.918) 2.724 3.866 ( 0.206 0.886 1.971) 2.171 4.025 ( -1.987 3.289 0.464) 3.871 4.062 ( -2.064 3.859 -2.293) 4.940 4.201 ( -1.936 -0.111 1.520) 2.464 4.209 ( -2.072 -0.815 -0.046) 2.227 4.290 ( -1.125 -0.267 1.566) 1.947 4.308 ( 0.438 1.538 -2.738) 3.171 4.373 ( -3.112 0.683 4.381) 5.417 4.455 ( -2.959 -4.287 2.642) 5.841 4.730 ( -3.340 -0.009 0.775) 3.429 4.762 ( -1.925 -2.597 0.609) 3.290 4.841 ( -3.521 0.133 -1.019) 3.668 4.857 ( -3.630 -0.404 -0.094) 3.654 5.415 ( -1.177 -0.491 0.651) 1.432 5.447 ( -0.403 -1.765 1.246) 2.198 5.514 ( 0.169 0.743 -1.363) 1.562 5.544 ( 0.410 -0.425 -1.356) 1.479 5.600 ( -2.354 1.533 1.091) 3.014 5.648 ( -0.962 0.697 -0.482) 1.282 5.661 ( -1.121 0.139 -1.397) 1.796 5.694 ( 0.959 -1.865 0.966) 2.309 5.968 ( -2.047 0.675 1.530) 2.644 5.975 ( -1.356 0.243 0.039) 1.379 6.076 ( 0.256 2.002 -0.676) 2.128 6.160 ( 0.186 -1.177 -4.110) 4.279 9.677 ( 1.888 -0.889 0.106) 2.090 9.695 ( 1.207 -0.936 -1.998) 2.515 9.938 ( 0.408 -0.044 2.233) 2.271 9.961 ( 1.598 -0.516 2.029) 2.634 10.074 ( -5.257 3.690 -2.371) 6.846 10.163 ( 1.392 3.182 3.316) 4.802 10.321 ( -2.995 -5.260 0.894) 6.118 10.484 ( -0.566 -8.686 -1.911) 8.912 10.818 ( -1.517 1.056 0.150) 1.855 10.847 ( -1.755 0.111 -0.114) 1.762 10.934 ( 2.234 0.099 -0.700) 2.343 10.935 ( 3.692 -0.034 -0.249) 3.701======================= Grid point 83 (41/76) =======================q-point: ( 0.22 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.765 ( 4.058 6.204 0.033) 7.413 0.912 ( 4.164 2.545 0.701) 4.931 0.993 ( 6.567 3.073 -4.715) 8.649 1.053 ( 2.765 1.426 1.290) 3.368 1.162 ( 0.278 -7.032 1.575) 7.211 1.252 ( 5.380 -2.394 0.212) 5.892 1.374 ( 11.669 1.041 -2.089) 11.900 1.458 ( 5.335 3.347 2.570) 6.802 1.479 ( 6.829 2.420 0.180) 7.248 1.521 ( 6.899 1.034 -2.611) 7.449 1.601 ( 2.139 -0.140 0.603) 2.227 1.641 ( 4.441 -1.822 4.106) 6.316 1.829 ( 6.101 1.675 2.590) 6.837 1.978 ( 6.638 -2.003 2.006) 7.218 2.031 ( 9.229 -0.696 3.805) 10.007 2.147 ( 11.277 2.818 -3.315) 12.087 2.201 ( 11.605 4.213 -2.261) 12.551 2.274 ( 2.489 -8.225 -8.214) 11.887 2.314 ( 13.765 -0.006 -2.818) 14.051 2.387 ( 6.561 4.137 1.061) 7.829 2.436 ( 7.208 0.323 3.483) 8.012 2.539 ( 9.565 4.811 -1.722) 10.845 2.629 ( 3.260 -3.018 0.995) 4.553 2.725 ( 6.840 0.831 1.304) 7.013 2.797 ( 3.351 2.287 6.534) 7.691 2.881 ( 2.720 -4.965 3.143) 6.475 2.917 ( 5.091 2.260 -5.634) 7.923 3.105 ( 7.134 -4.296 0.617) 8.350 3.224 ( 4.589 2.711 -3.642) 6.455 3.299 ( 6.180 -1.867 -3.422) 7.307 3.334 ( -3.103 2.802 1.208) 4.352 3.443 ( -1.386 -1.058 2.452) 3.008 3.501 ( -1.773 0.197 2.946) 3.444 3.611 ( -1.263 -4.794 -4.916) 6.982 3.765 ( 1.310 2.676 1.121) 3.183 3.898 ( 0.436 1.033 0.561) 1.254 3.971 ( -4.836 2.263 -0.713) 5.386 4.005 ( -2.083 2.058 1.398) 3.245 4.132 ( -5.800 0.155 -0.498) 5.823 4.141 ( -5.182 0.097 -0.611) 5.219 4.279 ( -0.270 1.849 -0.702) 1.997 4.296 ( -1.096 1.463 -0.395) 1.870 4.374 ( 0.464 -1.751 1.581) 2.405 4.394 ( -5.583 -1.952 1.915) 6.217 4.650 ( -6.565 0.846 0.923) 6.684 4.704 ( -5.223 -2.315 0.184) 5.716 4.743 ( -6.532 0.401 -1.160) 6.646 4.784 ( -4.487 -2.119 0.021) 4.962 5.393 ( -1.680 0.017 0.173) 1.689 5.437 ( -1.909 -1.742 1.076) 2.799 5.501 ( -0.102 0.801 -1.983) 2.141 5.532 ( -0.770 -0.371 -1.134) 1.420 5.568 ( -1.471 1.476 -0.115) 2.087 5.622 ( -1.389 -0.863 0.112) 1.638 5.638 ( -1.476 1.775 0.601) 2.386 5.709 ( -0.501 -2.339 1.075) 2.622 5.936 ( -2.636 0.887 1.184) 3.023 5.947 ( -1.552 -0.065 -0.420) 1.609 6.066 ( -1.256 1.838 -0.039) 2.227 6.121 ( -2.371 -0.173 -1.113) 2.624 9.704 ( 1.356 -0.476 -1.166) 1.851 9.735 ( 3.976 -3.156 0.457) 5.097 9.951 ( -3.355 3.438 3.264) 5.807 9.974 ( 0.096 3.032 -2.893) 4.192 10.028 ( 1.744 -2.067 2.356) 3.587 10.209 ( 0.101 -0.542 2.206) 2.274 10.241 ( -3.433 -1.662 -2.869) 4.773 10.445 ( -1.674 -6.310 -1.681) 6.742 10.785 ( -1.707 1.278 -0.556) 2.204 10.818 ( -1.643 0.292 0.531) 1.752 10.975 ( 2.544 0.153 -0.188) 2.555 10.994 ( 2.651 -0.686 0.364) 2.762======================= Grid point 84 (42/76) =======================q-point: ( 0.33 0.33 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.824 ( 2.544 0.267 -1.035) 2.760 0.919 ( -2.022 -0.820 0.268) 2.199 1.020 ( -1.667 -2.504 -0.739) 3.098 1.114 ( 5.260 3.875 -1.334) 6.668 1.190 ( 1.522 -0.339 2.769) 3.178 1.333 ( 2.836 0.560 1.061) 3.079 1.449 ( 3.267 1.867 -5.533) 6.691 1.490 ( -0.787 4.553 0.561) 4.655 1.560 ( 3.294 3.627 -1.684) 5.181 1.598 ( 0.972 -2.338 -2.982) 3.912 1.661 ( 4.620 1.182 -0.372) 4.783 1.740 ( 3.008 -2.995 1.716) 4.578 1.997 ( 7.993 1.092 3.482) 8.787 2.065 ( 4.544 -1.038 -3.160) 5.631 2.187 ( 4.086 -3.182 -1.865) 5.505 2.247 ( 1.643 -4.969 1.443) 5.429 2.354 ( 11.610 3.455 0.329) 12.117 2.392 ( 14.406 5.044 -4.814) 16.004 2.494 ( 4.545 2.939 3.704) 6.558 2.524 ( 9.382 -0.826 -1.482) 9.534 2.599 ( 3.737 -3.808 2.254) 5.792 2.707 ( 7.315 -2.668 -1.055) 7.858 2.717 ( 7.326 2.779 2.353) 8.181 2.847 ( 7.041 0.580 0.623) 7.093 2.911 ( 5.126 0.858 -0.143) 5.199 2.944 ( 1.971 1.570 3.740) 4.510 3.089 ( 13.480 3.137 -1.112) 13.884 3.203 ( 4.183 -1.965 2.633) 5.319 3.308 ( 5.864 2.781 -2.171) 6.843 3.376 ( 5.344 -2.012 -0.102) 5.711 3.389 ( 6.081 -1.845 -0.180) 6.357 3.455 ( 1.916 0.095 2.601) 3.231 3.528 ( 2.663 -3.911 -4.075) 6.245 3.602 ( 8.351 -3.498 3.984) 9.891 3.813 ( -1.658 1.301 0.222) 2.119 3.864 ( -2.502 2.973 -0.047) 3.886 3.878 ( -0.492 2.534 -3.625) 4.450 3.975 ( -7.080 -3.134 -0.153) 7.744 4.021 ( -7.431 -0.100 -1.038) 7.504 4.052 ( -0.611 2.867 2.278) 3.712 4.260 ( -0.266 1.910 -2.894) 3.478 4.275 ( -2.125 0.712 1.876) 2.922 4.298 ( -5.478 0.596 0.441) 5.528 4.393 ( -1.228 -3.113 1.216) 3.561 4.516 ( -9.315 2.063 0.965) 9.589 4.588 ( -7.032 -0.232 -0.919) 7.095 4.615 ( -5.997 -1.257 -0.821) 6.182 4.692 ( -5.635 -3.020 -1.129) 6.492 5.357 ( -1.962 0.267 -1.085) 2.258 5.402 ( -2.270 -1.362 -0.103) 2.650 5.483 ( -0.315 0.616 -1.212) 1.396 5.504 ( -1.250 0.051 -0.612) 1.393 5.551 ( -0.383 0.702 -0.156) 0.815 5.607 ( -0.963 -1.338 0.986) 1.921 5.615 ( -1.819 2.110 1.127) 3.005 5.694 ( -1.639 -1.928 0.116) 2.533 5.902 ( -1.958 0.983 0.859) 2.353 5.919 ( -1.034 -0.166 -0.535) 1.176 6.032 ( -2.581 1.661 0.447) 3.102 6.063 ( -3.840 0.553 0.739) 3.949 9.719 ( 1.352 1.045 -0.744) 1.863 9.813 ( 4.103 -4.576 0.338) 6.156 9.903 ( -2.111 4.491 0.328) 4.973 9.968 ( -1.358 0.836 0.392) 1.642 10.067 ( 0.208 -2.688 0.941) 2.856 10.137 ( -3.593 -6.313 -0.421) 7.276 10.253 ( 2.190 4.392 -0.656) 4.951 10.411 ( -0.758 -3.254 -1.466) 3.648 10.759 ( -0.897 1.365 -0.013) 1.634 10.795 ( -1.258 0.014 0.223) 1.278 11.013 ( 1.834 0.148 -0.117) 1.843 11.031 ( 1.165 -0.636 0.564) 1.442======================= Grid point 85 (43/76) =======================q-point: ( 0.44 0.33 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.832 ( 0.412 -2.307 -0.682) 2.441 0.869 ( -3.623 -5.785 0.341) 6.834 1.020 ( 2.312 2.937 -0.297) 3.750 1.173 ( 2.537 -1.809 -1.022) 3.279 1.236 ( 0.887 5.111 1.867) 5.513 1.354 ( -1.734 4.265 0.468) 4.627 1.439 ( -0.253 3.126 -3.036) 4.365 1.475 ( 1.833 -0.765 -4.953) 5.336 1.579 ( 0.512 2.603 0.453) 2.691 1.592 ( 1.416 -2.153 -3.382) 4.252 1.697 ( 1.346 -0.893 -2.006) 2.576 1.763 ( -0.657 -2.122 -0.799) 2.360 2.099 ( 2.691 1.361 1.229) 3.256 2.142 ( 5.047 0.527 -0.336) 5.085 2.198 ( 0.156 -0.670 -0.775) 1.036 2.265 ( -2.792 -2.153 0.566) 3.571 2.506 ( 4.126 1.315 0.930) 4.429 2.582 ( 7.286 5.953 -1.811) 9.582 2.595 ( 5.437 -1.102 1.309) 5.700 2.634 ( -0.023 -3.484 1.554) 3.815 2.637 ( 4.342 -1.808 2.289) 5.231 2.771 ( 2.008 -2.088 -0.890) 3.030 2.799 ( -2.243 2.951 3.489) 5.091 2.915 ( -0.543 1.417 -1.937) 2.460 3.005 ( 3.099 2.578 4.750) 6.230 3.036 ( 8.208 -2.104 -0.013) 8.474 3.200 ( -3.721 -1.405 -0.585) 4.020 3.302 ( -1.462 1.750 -0.740) 2.397 3.370 ( 11.445 1.591 -1.393) 11.639 3.479 ( 8.744 -4.448 -1.306) 9.897 3.528 ( 7.234 0.631 1.841) 7.491 3.560 ( 7.620 0.641 4.176) 8.713 3.677 ( -8.473 -1.497 -0.792) 8.640 3.691 ( 6.934 1.170 1.042) 7.109 3.778 ( -1.719 1.109 0.334) 2.073 3.795 ( -6.248 -0.910 -0.645) 6.347 3.833 ( 1.585 -1.139 0.615) 2.046 3.900 ( -1.727 -3.733 1.954) 4.554 3.952 ( 6.920 2.897 -3.882) 8.447 4.059 ( -1.241 0.090 -0.375) 1.299 4.205 ( -5.109 2.924 1.143) 5.996 4.228 ( -2.187 0.828 0.044) 2.339 4.254 ( -2.167 -0.137 -0.355) 2.201 4.317 ( -5.873 -0.514 0.385) 5.908 4.377 ( -5.877 1.436 1.881) 6.336 4.481 ( -2.986 1.869 -1.452) 3.810 4.562 ( 1.039 -2.852 -2.162) 3.726 4.579 ( -4.586 -4.088 -2.653) 6.692 5.317 ( -1.164 0.107 -1.068) 1.583 5.364 ( -1.021 -1.443 -1.816) 2.534 5.474 ( 0.265 0.627 -0.473) 0.829 5.488 ( 0.093 0.590 -0.429) 0.735 5.555 ( 0.385 0.402 1.424) 1.529 5.597 ( -0.967 1.772 1.023) 2.263 5.602 ( -0.734 -1.210 0.972) 1.716 5.662 ( -1.439 -1.416 -0.633) 2.116 5.885 ( -0.891 1.167 0.867) 1.705 5.905 ( -0.060 0.160 -0.394) 0.430 5.999 ( -1.073 1.297 0.459) 1.745 6.011 ( -2.408 0.854 0.834) 2.688 9.744 ( 1.607 2.222 0.666) 2.822 9.866 ( 1.117 -4.015 -0.257) 4.176 9.878 ( -1.072 1.386 -0.547) 1.836 9.928 ( -2.171 -0.966 -1.208) 2.666 10.065 ( 1.096 -2.101 0.196) 2.378 10.116 ( -1.393 -3.856 3.025) 5.095 10.281 ( 1.460 3.553 -0.740) 3.912 10.388 ( -0.363 -1.449 -2.065) 2.548 10.753 ( -0.111 1.096 0.384) 1.166 10.779 ( -0.548 -0.094 -0.215) 0.596 11.037 ( 0.859 0.030 0.051) 0.861 11.045 ( 0.026 -0.353 0.320) 0.477======================= Grid point 86 (44/76) =======================q-point: (-0.44 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.820 ( -1.302 -2.884 -0.757) 3.254 0.868 ( 3.895 -2.385 0.458) 4.590 1.043 ( -1.392 3.403 0.370) 3.696 1.187 ( 0.247 -1.270 -1.187) 1.756 1.248 ( -0.267 4.037 0.015) 4.046 1.301 ( -3.404 1.623 1.023) 3.908 1.408 ( -1.301 1.491 -1.013) 2.223 1.463 ( 1.753 -1.654 -6.202) 6.654 1.581 ( -0.560 -0.588 -1.018) 1.302 1.592 ( 1.306 -1.588 -2.904) 3.558 1.695 ( -1.018 -0.553 -0.129) 1.166 1.724 ( -1.468 0.625 -1.710) 2.338 2.097 ( -6.679 1.640 1.609) 7.063 2.144 ( -5.188 -0.619 -1.085) 5.336 2.202 ( 1.007 2.541 1.479) 3.108 2.239 ( 2.152 1.140 -0.708) 2.536 2.497 ( -5.575 2.156 0.155) 5.980 2.607 ( -3.319 -0.532 0.943) 3.491 2.615 ( -3.585 -2.447 -0.491) 4.368 2.665 ( -0.014 1.274 -1.050) 1.651 2.678 ( -2.223 -2.286 3.204) 4.520 2.771 ( -0.860 -0.926 1.955) 2.327 2.819 ( 1.173 -0.136 1.678) 2.052 2.870 ( -1.690 -0.419 -0.948) 1.983 3.015 ( -5.879 3.475 4.257) 8.048 3.066 ( -8.125 0.841 -1.484) 8.302 3.149 ( -0.115 -2.001 1.999) 2.831 3.245 ( -1.620 -1.583 -4.034) 4.626 3.467 ( -8.577 0.332 -1.635) 8.737 3.479 ( -10.346 -0.522 -0.473) 10.370 3.523 ( -2.245 1.629 5.393) 6.064 3.555 ( -3.048 0.160 1.863) 3.576 3.682 ( -2.690 -3.073 -0.965) 4.196 3.724 ( 3.503 0.854 2.241) 4.245 3.762 ( 4.818 1.505 -1.698) 5.325 3.785 ( 3.742 0.957 2.191) 4.440 3.850 ( 1.662 1.281 -0.028) 2.099 3.917 ( -7.442 0.103 -4.936) 8.930 3.997 ( 2.057 -3.292 4.259) 5.763 4.030 ( -2.557 -0.529 -2.315) 3.489 4.159 ( 1.759 2.488 -1.990) 3.639 4.211 ( 2.507 3.103 -1.088) 4.135 4.238 ( 1.754 -1.305 3.072) 3.770 4.331 ( 7.016 0.329 0.844) 7.074 4.381 ( 1.964 -0.568 2.075) 2.913 4.487 ( 4.979 2.306 -1.140) 5.604 4.516 ( 1.018 -3.017 -2.631) 4.130 4.589 ( 4.163 -4.394 -3.142) 6.820 5.309 ( 0.899 -0.734 -0.398) 1.227 5.340 ( 0.386 -1.727 -2.097) 2.744 5.482 ( 1.109 1.185 -0.561) 1.718 5.503 ( 1.984 0.137 -0.939) 2.199 5.580 ( -0.210 1.232 2.379) 2.687 5.593 ( 0.230 0.757 0.542) 0.959 5.605 ( 0.158 0.118 1.198) 1.214 5.643 ( 0.227 -1.436 -1.077) 1.809 5.881 ( -0.251 0.941 0.560) 1.123 5.910 ( 0.607 0.113 -0.034) 0.619 6.005 ( 1.358 1.536 0.483) 2.107 6.018 ( 2.815 1.103 0.735) 3.112 9.781 ( 0.748 0.817 2.509) 2.743 9.829 ( -2.245 -2.336 -2.664) 4.195 9.855 ( -1.349 0.496 -0.092) 1.440 9.912 ( 0.903 -2.125 -1.149) 2.579 10.084 ( -1.491 -0.224 1.635) 2.224 10.149 ( 3.955 -2.479 1.444) 4.886 10.291 ( -0.399 1.712 0.780) 1.923 10.361 ( -0.058 -1.160 -3.388) 3.581 10.758 ( 0.245 0.783 0.561) 0.994 10.774 ( 0.274 0.125 -0.400) 0.501 11.036 ( -0.979 0.097 0.111) 0.990 11.047 ( -0.010 -0.240 0.262) 0.355======================= Grid point 87 (45/76) =======================q-point: (-0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( 0.423 3.361 -1.135) 3.572 0.926 ( -3.123 0.475 -0.001) 3.159 0.998 ( 2.208 2.513 -0.329) 3.362 1.172 ( -1.856 -2.449 0.624) 3.135 1.222 ( -2.408 3.349 -1.183) 4.291 1.267 ( -2.095 -2.263 1.090) 3.271 1.383 ( -2.449 -0.539 2.724) 3.703 1.434 ( 0.463 -3.423 -5.459) 6.460 1.533 ( -2.958 -1.194 -3.140) 4.476 1.567 ( -3.339 2.237 -1.646) 4.343 1.649 ( -1.668 -1.141 -1.443) 2.483 1.695 ( -3.854 -0.251 1.945) 4.324 1.928 ( -11.446 0.573 0.449) 11.469 2.021 ( -9.085 -2.383 0.628) 9.413 2.204 ( -4.140 4.311 3.091) 6.729 2.252 ( -0.546 5.217 -3.785) 6.469 2.334 ( -10.488 3.057 -0.186) 10.926 2.473 ( -9.906 -3.139 -2.230) 10.627 2.495 ( -9.710 2.410 -0.988) 10.053 2.575 ( -9.196 1.396 2.595) 9.657 2.650 ( -6.176 0.106 2.399) 6.626 2.732 ( -3.042 -1.811 -1.495) 3.843 2.796 ( -3.853 -1.377 -1.106) 4.238 2.819 ( -9.016 -5.065 0.136) 10.342 2.921 ( -7.036 -1.148 6.600) 9.715 2.956 ( -1.708 3.761 -1.160) 4.291 3.017 ( -11.439 0.069 0.448) 11.448 3.177 ( -4.190 -1.956 0.130) 4.626 3.312 ( -5.812 -1.296 1.534) 6.150 3.344 ( -4.626 -0.836 -2.033) 5.122 3.477 ( -4.073 0.888 -0.389) 4.187 3.501 ( -6.381 -1.046 2.135) 6.809 3.625 ( -2.414 3.370 6.403) 7.628 3.703 ( -4.664 2.073 -6.583) 8.330 3.722 ( -2.703 1.279 -0.223) 2.999 3.825 ( -3.690 -1.851 -4.150) 5.853 3.887 ( 7.048 1.068 1.253) 7.237 3.936 ( 2.778 1.290 1.507) 3.414 3.990 ( 8.456 -0.180 -0.131) 8.459 4.088 ( 2.505 -0.744 1.126) 2.845 4.174 ( 2.904 1.261 -3.618) 4.808 4.273 ( 2.211 2.499 1.098) 3.513 4.309 ( 2.219 -2.738 2.230) 4.171 4.398 ( 0.395 -1.699 0.348) 1.778 4.501 ( 8.601 0.527 1.109) 8.688 4.571 ( 5.861 -2.429 -0.859) 6.402 4.610 ( 8.621 0.322 -1.194) 8.710 4.669 ( 6.872 -2.551 -1.289) 7.442 5.329 ( 1.744 -0.945 -0.769) 2.128 5.355 ( 2.318 -2.109 -0.396) 3.159 5.503 ( 1.707 0.951 -0.778) 2.103 5.529 ( 1.821 -0.759 -1.456) 2.452 5.577 ( -0.217 1.591 0.029) 1.606 5.623 ( 0.748 0.963 1.914) 2.270 5.625 ( 1.291 0.491 0.882) 1.639 5.652 ( 1.435 -1.159 -0.257) 1.863 5.891 ( 1.096 0.327 0.322) 1.188 5.924 ( 1.091 -0.700 0.011) 1.296 6.053 ( 2.999 2.896 0.300) 4.180 6.101 ( 5.359 1.151 0.806) 5.540 9.761 ( -2.444 -1.658 -2.043) 3.591 9.797 ( -1.694 -2.687 1.886) 3.694 9.854 ( 0.802 1.806 0.293) 1.998 9.917 ( 0.377 -1.953 0.112) 1.992 10.061 ( -1.367 2.988 0.036) 3.286 10.230 ( 1.746 2.003 -0.019) 2.657 10.279 ( -0.536 -3.845 2.364) 4.545 10.346 ( 2.124 -2.484 -3.939) 5.118 10.769 ( 0.710 0.983 -0.156) 1.223 10.788 ( 1.445 0.354 0.365) 1.532 11.012 ( -1.800 0.508 0.041) 1.871 11.042 ( -0.873 -0.596 0.406) 1.132======================= Grid point 88 (46/76) =======================q-point: (-0.22 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.779 ( -2.701 10.269 -4.383) 11.488 0.829 ( -6.067 7.165 3.581) 10.048 1.057 ( 1.427 -4.343 -2.099) 5.030 1.101 ( -8.457 3.039 2.576) 9.348 1.179 ( 0.069 -1.456 -0.310) 1.490 1.223 ( -3.901 -3.745 -0.361) 5.420 1.346 ( -3.598 -0.923 -1.016) 3.850 1.369 ( -6.723 -5.802 -1.031) 8.940 1.412 ( -11.389 2.708 0.648) 11.725 1.456 ( -4.779 1.068 -0.693) 4.946 1.575 ( -6.879 1.908 3.051) 7.763 1.654 ( -2.069 -4.779 1.693) 5.476 1.739 ( -10.774 -0.648 2.637) 11.111 1.868 ( -8.946 -4.796 3.460) 10.724 2.014 ( -14.078 4.386 -2.033) 14.885 2.112 ( -10.453 3.150 -3.446) 11.448 2.237 ( -4.283 0.669 -2.914) 5.224 2.299 ( -7.191 3.501 -2.443) 8.363 2.310 ( -8.725 1.998 -2.350) 9.255 2.397 ( -10.433 3.099 2.911) 11.266 2.511 ( -11.051 -1.117 3.706) 11.709 2.616 ( -7.750 3.911 -1.926) 8.892 2.636 ( -8.596 -2.413 1.731) 9.094 2.716 ( -2.053 -1.766 -2.995) 4.037 2.855 ( -6.197 -1.889 3.530) 7.378 2.901 ( -3.032 -3.323 4.780) 6.564 2.954 ( 0.875 3.572 -3.405) 5.012 3.131 ( -1.050 -1.713 -1.280) 2.382 3.242 ( -2.471 -0.160 -0.220) 2.486 3.287 ( -1.754 -2.438 -2.721) 4.052 3.400 ( -1.921 0.153 2.843) 3.434 3.438 ( -3.357 -0.988 1.075) 3.661 3.553 ( -4.942 -0.167 -3.740) 6.200 3.638 ( -1.006 -0.121 -1.922) 2.173 3.740 ( 0.989 4.026 -0.286) 4.155 3.778 ( 3.463 1.409 2.483) 4.488 4.016 ( 5.648 -1.576 2.102) 6.229 4.035 ( 4.221 0.447 1.548) 4.518 4.073 ( 1.402 4.868 0.342) 5.077 4.122 ( 2.326 1.619 -3.446) 4.462 4.203 ( 4.371 1.234 -2.344) 5.112 4.303 ( 0.097 1.125 0.673) 1.314 4.364 ( 1.768 -5.261 3.431) 6.524 4.394 ( -0.613 -1.695 0.393) 1.845 4.645 ( 6.367 -0.412 1.084) 6.471 4.664 ( 4.890 -2.062 -0.199) 5.311 4.742 ( 7.193 0.523 -1.115) 7.297 4.781 ( 5.914 -1.406 0.085) 6.079 5.362 ( 2.374 -0.742 -0.164) 2.493 5.395 ( 1.847 -2.072 0.494) 2.819 5.521 ( 0.893 0.151 -0.796) 1.206 5.540 ( 0.998 -0.642 -1.424) 1.854 5.587 ( 1.317 1.747 0.097) 2.190 5.644 ( 0.662 0.284 0.095) 0.727 5.652 ( 1.254 0.024 0.081) 1.257 5.686 ( 1.538 -0.440 1.397) 2.124 5.921 ( 1.740 -0.199 0.361) 1.788 5.948 ( 1.536 -0.960 0.158) 1.818 6.094 ( 1.353 3.829 -0.323) 4.074 6.196 ( 4.625 -0.205 -0.587) 4.667 9.709 ( -1.775 -0.339 -1.096) 2.113 9.775 ( -1.563 -2.388 -0.421) 2.885 9.855 ( -0.309 1.384 -0.228) 1.437 9.943 ( -0.290 -4.266 4.539) 6.236 10.053 ( 1.332 6.381 -0.382) 6.530 10.180 ( -3.668 2.352 -0.907) 4.451 10.328 ( -0.086 -2.935 2.387) 3.784 10.376 ( 5.757 -5.937 -4.228) 9.288 10.781 ( 1.004 1.671 -0.350) 1.980 10.824 ( 1.972 0.015 0.377) 2.008 10.976 ( -2.284 0.775 -0.016) 2.412 11.021 ( -1.981 -1.091 0.151) 2.266======================= Grid point 89 (47/76) =======================q-point: (-0.11 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.677 ( -8.164 11.242 -0.947) 13.926 0.705 ( -8.881 11.128 0.887) 14.265 0.941 ( -9.496 2.813 3.943) 10.660 1.017 ( -5.550 0.908 -6.806) 8.829 1.091 ( -4.978 -2.318 -2.004) 5.846 1.163 ( -3.870 -4.717 -0.832) 6.158 1.216 ( -7.045 6.143 2.610) 9.704 1.219 ( -9.753 -3.872 0.954) 10.537 1.269 ( -1.380 -5.249 -1.986) 5.780 1.408 ( -3.860 2.129 4.271) 6.138 1.517 ( -4.646 -1.937 7.680) 9.183 1.562 ( -10.209 -4.415 3.176) 11.568 1.655 ( -0.710 -0.936 2.030) 2.345 1.762 ( -7.166 0.573 3.987) 8.220 1.856 ( -2.753 -3.101 1.165) 4.308 1.946 ( -3.438 -2.225 0.073) 4.096 2.062 ( -9.570 1.270 -3.850) 10.393 2.129 ( -9.102 -0.748 -1.718) 9.293 2.167 ( -3.286 7.719 -4.235) 9.398 2.323 ( -1.666 3.391 -0.354) 3.795 2.417 ( -4.227 -1.006 4.799) 6.474 2.508 ( -2.259 8.088 -2.296) 8.706 2.558 ( -3.466 -1.143 3.374) 4.970 2.662 ( -0.655 -0.043 -3.820) 3.876 2.785 ( -3.056 -2.496 -2.368) 4.602 2.885 ( -2.510 -3.000 3.418) 5.195 2.951 ( 1.063 1.412 -1.945) 2.628 3.089 ( 0.124 -2.604 -6.836) 7.316 3.217 ( -0.067 1.084 -3.259) 3.436 3.244 ( -0.216 -1.063 -2.255) 2.502 3.389 ( -0.721 -1.203 -1.735) 2.231 3.437 ( -0.813 0.613 6.059) 6.144 3.489 ( -1.636 -1.849 4.131) 4.812 3.612 ( 0.674 -3.317 -2.149) 4.009 3.776 ( 1.548 7.013 0.390) 7.193 3.854 ( 2.533 2.143 1.446) 3.620 4.053 ( -0.073 -1.087 -1.827) 2.127 4.102 ( 0.830 5.451 -0.190) 5.517 4.115 ( 3.513 -1.968 1.669) 4.359 4.155 ( 3.280 4.628 1.257) 5.810 4.267 ( 3.608 0.099 -1.266) 3.825 4.315 ( 0.576 0.657 2.180) 2.349 4.364 ( -1.644 -1.594 0.233) 2.301 4.431 ( 0.480 -4.790 4.447) 6.554 4.729 ( 2.519 -1.127 0.744) 2.858 4.739 ( 3.215 -1.378 0.479) 3.530 4.840 ( 4.703 0.600 -0.893) 4.824 4.865 ( 3.463 -0.966 -0.135) 3.598 5.402 ( 1.789 -0.971 0.540) 2.106 5.421 ( 0.528 -1.768 0.703) 1.974 5.522 ( 0.078 0.252 -0.565) 0.623 5.546 ( 0.968 -0.351 -1.586) 1.891 5.614 ( 0.973 0.933 0.894) 1.618 5.650 ( 0.553 0.260 -0.661) 0.900 5.669 ( 0.627 0.365 -0.160) 0.743 5.713 ( 0.413 -1.177 0.197) 1.263 5.949 ( 1.078 0.026 0.278) 1.114 5.978 ( 1.229 -0.798 0.947) 1.744 6.095 ( -0.413 3.694 -0.930) 3.832 6.231 ( 1.356 -2.177 -3.977) 4.732 9.682 ( -0.801 0.541 -0.475) 1.077 9.736 ( -0.951 -1.546 -3.037) 3.538 9.864 ( 0.459 1.742 2.357) 2.967 9.953 ( -1.743 -3.205 3.088) 4.780 10.088 ( 0.595 4.940 -1.514) 5.201 10.166 ( 3.409 1.233 4.567) 5.831 10.305 ( -3.279 -3.073 -0.011) 4.495 10.447 ( 4.505 -6.854 -2.227) 8.498 10.800 ( 1.335 1.893 0.105) 2.318 10.852 ( 0.896 -0.444 -0.043) 1.001 10.934 ( -2.305 0.871 -0.242) 2.476 10.974 ( -2.740 -1.119 -0.796) 3.065======================= Grid point 90 (48/76) =======================q-point: ( 0.00 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.699 ( 0.205 -6.081 0.328) 6.094 0.699 ( 0.205 6.081 0.328) 6.094 0.937 ( -0.897 -7.784 1.429) 7.965 0.937 ( -0.897 7.784 1.429) 7.965 1.035 ( 1.713 -5.719 -3.468) 6.904 1.035 ( 1.713 5.719 -3.468) 6.904 1.083 ( 0.606 -5.348 -6.290) 8.278 1.083 ( 0.606 5.348 -6.290) 8.278 1.397 ( -1.858 -4.278 5.858) 7.488 1.397 ( -1.858 4.278 5.858) 7.488 1.446 ( -0.245 -4.128 6.731) 7.900 1.446 ( -0.245 4.128 6.731) 7.900 1.694 ( -1.183 -2.627 5.429) 6.146 1.694 ( -1.183 2.627 5.429) 6.146 1.898 ( 3.757 -3.993 0.595) 5.515 1.898 ( 3.757 3.993 0.595) 5.515 1.986 ( -0.783 -2.067 1.372) 2.601 1.986 ( -0.783 2.067 1.372) 2.601 2.251 ( 0.443 -6.811 -6.184) 9.210 2.251 ( 0.443 6.811 -6.184) 9.210 2.467 ( -0.766 -5.390 3.264) 6.347 2.467 ( -0.766 5.390 3.264) 6.347 2.609 ( -0.238 -4.818 -0.731) 4.879 2.609 ( -0.238 4.818 -0.731) 4.879 2.742 ( -2.334 -4.879 -2.919) 6.146 2.742 ( -2.334 4.879 -2.919) 6.146 2.989 ( 1.260 -2.849 -5.319) 6.164 2.989 ( 1.260 2.849 -5.319) 6.164 3.213 ( 0.825 -0.519 -3.235) 3.378 3.213 ( 0.825 0.519 -3.235) 3.378 3.434 ( -0.428 -2.975 3.504) 4.616 3.434 ( -0.428 2.975 3.504) 4.616 3.540 ( 0.833 -4.434 2.646) 5.230 3.540 ( 0.833 4.434 2.646) 5.230 3.871 ( -1.276 -2.848 -1.471) 3.450 3.871 ( -1.276 2.848 -1.471) 3.450 4.096 ( 0.547 -4.574 2.722) 5.351 4.096 ( 0.547 4.574 2.722) 5.351 4.207 ( 0.111 -4.505 -2.611) 5.208 4.207 ( 0.111 4.505 -2.611) 5.208 4.338 ( 0.823 -5.234 3.175) 6.177 4.338 ( 0.823 5.234 3.175) 6.177 4.362 ( -0.985 -2.829 2.575) 3.950 4.362 ( -0.985 2.829 2.575) 3.950 4.750 ( -0.129 -0.386 0.631) 0.751 4.750 ( -0.129 0.386 0.631) 0.751 4.886 ( 0.186 -0.421 -0.576) 0.738 4.886 ( 0.186 0.421 -0.576) 0.738 5.416 ( 0.200 -0.325 0.908) 0.985 5.416 ( 0.200 0.325 0.908) 0.985 5.533 ( 0.614 -0.885 -1.415) 1.779 5.533 ( 0.614 0.885 -1.415) 1.779 5.643 ( -0.368 -1.357 0.840) 1.638 5.643 ( -0.368 1.357 0.840) 1.638 5.684 ( -0.360 -1.024 -1.133) 1.569 5.684 ( -0.360 1.024 -1.133) 1.569 5.983 ( -0.156 -0.856 1.729) 1.936 5.983 ( -0.156 0.856 1.729) 1.936 6.139 ( 0.110 -3.549 -3.621) 5.071 6.139 ( 0.110 3.549 -3.621) 5.071 9.683 ( -0.118 -1.166 -1.770) 2.123 9.683 ( -0.118 1.166 -1.770) 2.123 9.917 ( -0.153 -1.183 2.717) 2.967 9.917 ( -0.153 1.183 2.717) 2.967 10.169 ( -0.916 -4.193 2.768) 5.108 10.169 ( -0.916 4.193 2.768) 5.108 10.340 ( 1.349 -7.131 -2.533) 7.687 10.340 ( 1.349 7.131 -2.533) 7.687 10.847 ( 0.345 -0.830 0.201) 0.921 10.847 ( 0.345 0.830 0.201) 0.921 10.919 ( -0.449 -0.805 -0.869) 1.267 10.919 ( -0.449 0.805 -0.869) 1.267======================= Grid point 92 (49/76) =======================q-point: ( 0.11 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.836 ( 9.822 -2.663 -0.928) 10.219 0.836 ( 9.822 2.663 -0.928) 10.219 0.956 ( 2.020 -6.928 1.828) 7.445 0.956 ( 2.020 6.928 1.828) 7.445 1.074 ( 4.570 -5.319 -3.299) 7.749 1.074 ( 4.570 5.319 -3.299) 7.749 1.155 ( 13.631 -5.427 -3.003) 14.976 1.155 ( 13.631 5.427 -3.003) 14.976 1.464 ( 3.799 -1.544 4.201) 5.870 1.464 ( 3.799 1.544 4.201) 5.870 1.523 ( 2.547 -2.337 4.709) 5.841 1.523 ( 2.547 2.337 4.709) 5.841 1.760 ( 3.125 -2.629 6.716) 7.860 1.760 ( 3.125 2.629 6.716) 7.860 1.988 ( 8.069 -3.855 -1.051) 9.005 1.988 ( 8.069 3.855 -1.051) 9.005 2.075 ( 6.872 -5.907 -0.749) 9.093 2.075 ( 6.872 5.907 -0.749) 9.093 2.236 ( 4.937 -5.050 -5.270) 8.812 2.236 ( 4.937 5.050 -5.270) 8.812 2.480 ( 0.281 -4.218 1.474) 4.477 2.480 ( 0.281 4.218 1.474) 4.477 2.620 ( 2.428 -5.500 -0.514) 6.034 2.620 ( 2.428 5.500 -0.514) 6.034 2.715 ( 0.610 -2.260 1.929) 3.033 2.715 ( 0.610 2.260 1.929) 3.033 2.976 ( 2.137 -1.300 -4.903) 5.504 2.976 ( 2.137 1.300 -4.903) 5.504 3.214 ( 2.483 -1.201 -3.152) 4.189 3.214 ( 2.483 1.201 -3.152) 4.189 3.439 ( -2.074 -1.930 3.518) 4.517 3.439 ( -2.074 1.930 3.518) 4.517 3.561 ( -0.265 -0.946 -1.066) 1.449 3.561 ( -0.265 0.946 -1.066) 1.449 3.833 ( -1.740 -3.391 1.002) 3.941 3.833 ( -1.740 3.391 1.002) 3.941 4.097 ( -2.968 -3.706 1.810) 5.081 4.097 ( -2.968 3.706 1.810) 5.081 4.180 ( -0.866 -2.783 -2.057) 3.568 4.180 ( -0.866 2.783 -2.057) 3.568 4.340 ( -1.932 -3.540 1.406) 4.271 4.340 ( -1.932 3.540 1.406) 4.271 4.372 ( -0.995 -3.172 2.238) 4.007 4.372 ( -0.995 3.172 2.238) 4.007 4.731 ( -2.630 -0.591 0.765) 2.802 4.731 ( -2.630 0.591 0.765) 2.802 4.848 ( -3.824 -0.562 -0.544) 3.903 4.848 ( -3.824 0.562 -0.544) 3.903 5.420 ( -0.690 -0.986 0.983) 1.554 5.420 ( -0.690 0.986 0.983) 1.554 5.531 ( 0.470 -0.915 -1.679) 1.969 5.531 ( 0.470 0.915 -1.679) 1.969 5.630 ( -1.758 -1.676 0.270) 2.444 5.630 ( -1.758 1.676 0.270) 2.444 5.673 ( -0.161 -0.856 0.013) 0.871 5.673 ( -0.161 0.856 0.013) 0.871 5.977 ( -2.024 -0.255 1.531) 2.550 5.977 ( -2.024 0.255 1.531) 2.550 6.122 ( 0.726 -2.647 -2.936) 4.019 6.122 ( 0.726 2.647 -2.936) 4.019 9.678 ( 0.871 -0.770 -0.886) 1.462 9.678 ( 0.871 0.770 -0.886) 1.462 9.944 ( 0.862 -0.786 2.556) 2.810 9.944 ( 0.862 0.786 2.556) 2.810 10.156 ( -2.621 -4.126 1.044) 4.998 10.156 ( -2.621 4.126 1.044) 4.998 10.333 ( 0.209 -6.473 -1.936) 6.759 10.333 ( 0.209 6.473 -1.936) 6.759 10.838 ( -1.338 -0.954 -0.136) 1.649 10.838 ( -1.338 0.954 -0.136) 1.649 10.935 ( 2.509 -0.050 -0.324) 2.530 10.935 ( 2.509 0.050 -0.324) 2.530======================= Grid point 94 (50/76) =======================q-point: ( 0.22 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.912 ( 0.947 -7.557 -2.034) 7.883 0.912 ( 0.947 7.557 -2.034) 7.883 1.009 ( 2.070 -5.609 1.517) 6.168 1.009 ( 2.070 5.609 1.517) 6.168 1.164 ( 7.055 -6.203 -1.234) 9.475 1.164 ( 7.055 6.203 -1.234) 9.475 1.414 ( 13.332 -3.299 -2.369) 13.937 1.414 ( 13.332 3.299 -2.369) 13.937 1.565 ( 2.734 -3.361 1.109) 4.472 1.565 ( 2.734 3.361 1.109) 4.472 1.596 ( 4.326 -4.198 3.651) 7.047 1.596 ( 4.326 4.198 3.651) 7.047 1.896 ( 5.810 -4.882 5.113) 9.150 1.896 ( 5.810 4.882 5.113) 9.150 2.101 ( 4.645 -6.967 -3.216) 8.969 2.101 ( 4.645 6.967 -3.216) 8.969 2.203 ( 14.113 -2.018 -6.200) 15.546 2.203 ( 14.113 2.018 -6.200) 15.546 2.374 ( 10.837 -3.738 0.844) 11.495 2.374 ( 10.837 3.738 0.844) 11.495 2.515 ( 2.514 -5.542 1.391) 6.243 2.515 ( 2.514 5.542 1.391) 6.243 2.692 ( 6.435 -6.072 -1.283) 8.940 2.692 ( 6.435 6.072 -1.283) 8.940 2.810 ( 4.860 -0.827 7.690) 9.135 2.810 ( 4.860 0.827 7.690) 9.135 2.998 ( 5.319 -5.643 -3.150) 8.370 2.998 ( 5.319 5.643 -3.150) 8.370 3.264 ( 6.963 -2.046 -4.069) 8.320 3.264 ( 6.963 2.046 -4.069) 8.320 3.422 ( -3.113 -4.116 4.015) 6.538 3.422 ( -3.113 4.116 4.015) 6.538 3.508 ( -1.988 -3.568 -4.525) 6.096 3.508 ( -1.988 3.568 -4.525) 6.096 3.844 ( 0.747 -5.101 2.838) 5.885 3.844 ( 0.747 5.101 2.838) 5.885 4.023 ( -5.837 -1.523 -0.233) 6.037 4.023 ( -5.837 1.523 -0.233) 6.037 4.135 ( -3.448 -0.709 0.143) 3.523 4.135 ( -3.448 0.709 0.143) 3.523 4.321 ( -1.021 -1.746 -0.116) 2.026 4.321 ( -1.021 1.746 -0.116) 2.026 4.352 ( -2.012 -1.834 0.445) 2.759 4.352 ( -2.012 1.834 0.445) 2.759 4.668 ( -5.411 -1.345 0.529) 5.600 4.668 ( -5.411 1.345 0.529) 5.600 4.754 ( -6.043 -1.045 -0.403) 6.146 4.754 ( -6.043 1.045 -0.403) 6.146 5.406 ( -1.583 -1.314 0.603) 2.144 5.406 ( -1.583 1.314 0.603) 2.144 5.518 ( -0.190 -0.945 -2.049) 2.265 5.518 ( -0.190 0.945 -2.049) 2.265 5.597 ( -1.841 -1.562 0.251) 2.427 5.597 ( -1.841 1.562 0.251) 2.427 5.671 ( -0.832 -1.789 0.931) 2.182 5.671 ( -0.832 1.789 0.931) 2.182 5.946 ( -2.290 -0.259 0.765) 2.428 5.946 ( -2.290 0.259 0.765) 2.428 6.102 ( -1.454 -1.713 -0.913) 2.425 6.102 ( -1.454 1.713 -0.913) 2.425 9.701 ( 2.181 -0.551 -0.067) 2.251 9.701 ( 2.181 0.551 -0.067) 2.251 9.984 ( 0.717 -1.963 3.180) 3.805 9.984 ( 0.717 1.963 3.180) 3.805 10.093 ( -3.623 -7.061 -2.309) 8.265 10.093 ( -3.623 7.061 -2.309) 8.265 10.327 ( 0.579 -6.089 -0.880) 6.179 10.327 ( 0.579 6.089 -0.880) 6.179 10.809 ( -1.641 -1.083 -0.026) 1.966 10.809 ( -1.641 1.083 -0.026) 1.966 10.982 ( 2.536 -0.523 0.098) 2.592 10.982 ( 2.536 0.523 0.098) 2.592======================= Grid point 96 (51/76) =======================q-point: ( 0.33 -0.50 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.867 ( -3.487 -3.627 -1.014) 5.133 0.867 ( -3.487 3.627 -1.014) 5.133 1.057 ( 2.226 -5.321 0.526) 5.792 1.057 ( 2.226 5.321 0.526) 5.792 1.279 ( 6.646 -5.681 -1.352) 8.847 1.279 ( 6.646 5.681 -1.352) 8.847 1.508 ( 2.100 -4.486 -3.709) 6.188 1.508 ( 2.100 4.486 -3.709) 6.188 1.583 ( -0.117 -2.947 -0.259) 2.961 1.583 ( -0.117 2.947 -0.259) 2.961 1.697 ( 3.034 -1.343 0.488) 3.353 1.697 ( 3.034 1.343 0.488) 3.353 2.031 ( 6.247 -2.171 0.698) 6.650 2.031 ( 6.247 2.171 0.698) 6.650 2.168 ( 4.562 -2.093 0.306) 5.028 2.168 ( 4.562 2.093 0.306) 5.028 2.411 ( 11.695 -1.926 -1.338) 11.928 2.411 ( 11.695 1.926 -1.338) 11.928 2.531 ( 3.975 -2.575 2.053) 5.162 2.531 ( 3.975 2.575 2.053) 5.162 2.619 ( 8.573 -6.673 -0.505) 10.876 2.619 ( 8.573 6.673 -0.505) 10.876 2.796 ( 6.101 -5.028 0.097) 7.907 2.796 ( 6.101 5.028 0.097) 7.907 2.942 ( 3.258 -1.485 3.866) 5.270 2.942 ( 3.258 1.485 3.866) 5.270 3.141 ( 11.127 -3.029 -1.000) 11.576 3.141 ( 11.127 3.029 -1.000) 11.576 3.364 ( 6.617 -0.581 -2.477) 7.089 3.364 ( 6.617 0.581 -2.477) 7.089 3.408 ( 0.401 -6.122 -2.773) 6.732 3.408 ( 0.401 6.122 -2.773) 6.732 3.520 ( 7.112 -3.986 5.210) 9.675 3.520 ( 7.112 3.986 5.210) 9.675 3.864 ( -3.457 -4.113 1.408) 5.554 3.864 ( -3.457 4.113 1.408) 5.554 3.909 ( -4.185 -0.665 -2.042) 4.703 3.909 ( -4.185 0.665 -2.042) 4.703 4.067 ( -4.199 -2.244 0.560) 4.793 4.067 ( -4.199 2.244 0.560) 4.793 4.284 ( -1.960 -0.373 -1.314) 2.389 4.284 ( -1.960 0.373 -1.314) 2.389 4.329 ( -1.962 -3.155 0.940) 3.832 4.329 ( -1.962 3.155 0.940) 3.832 4.554 ( -6.703 -2.239 -0.677) 7.099 4.554 ( -6.703 2.239 -0.677) 7.099 4.637 ( -6.837 -2.595 -0.473) 7.328 4.637 ( -6.837 2.595 -0.473) 7.328 5.374 ( -1.874 -1.384 -0.862) 2.485 5.374 ( -1.874 1.384 -0.862) 2.485 5.495 ( -0.555 -0.682 -1.348) 1.610 5.495 ( -0.555 0.682 -1.348) 1.610 5.576 ( -1.050 -1.709 0.790) 2.156 5.576 ( -1.050 1.709 0.790) 2.156 5.655 ( -1.630 -2.127 0.708) 2.772 5.655 ( -1.630 2.127 0.708) 2.772 5.916 ( -1.498 -0.387 0.405) 1.600 5.916 ( -1.498 0.387 0.405) 1.600 6.058 ( -3.119 -0.979 0.540) 3.314 6.058 ( -3.119 0.979 0.540) 3.314 9.748 ( 2.905 -2.358 0.174) 3.746 9.748 ( 2.905 2.358 0.174) 3.746 9.982 ( -4.165 -1.929 -0.303) 4.600 9.982 ( -4.165 1.929 -0.303) 4.600 10.038 ( 0.298 -2.322 0.637) 2.426 10.038 ( 0.298 2.322 0.637) 2.426 10.337 ( 1.271 -4.429 -1.013) 4.718 10.337 ( 1.271 4.429 -1.013) 4.718 10.784 ( -1.189 -1.131 0.130) 1.646 10.784 ( -1.189 1.131 0.130) 1.646 11.019 ( 1.536 -0.516 0.233) 1.637 11.019 ( 1.536 0.516 0.233) 1.637======================= Grid point 98 (52/76) =======================q-point: ( 0.44 -0.50 -0.75)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.809 ( -1.801 -0.770 -0.092) 1.961 0.809 ( -1.801 0.770 -0.092) 1.961 1.097 ( 1.672 -4.887 0.969) 5.255 1.097 ( 1.672 4.887 0.969) 5.255 1.348 ( 3.130 -5.096 -3.797) 7.084 1.348 ( 3.130 5.097 -3.797) 7.084 1.487 ( -0.492 -2.229 -3.900) 4.519 1.487 ( -0.492 2.229 -3.900) 4.519 1.556 ( -0.920 -3.770 -2.274) 4.498 1.556 ( -0.920 3.770 -2.274) 4.498 1.731 ( 0.902 -2.316 0.546) 2.544 1.731 ( 0.902 2.316 0.546) 2.544 2.128 ( 4.563 -1.705 0.610) 4.909 2.128 ( 4.563 1.705 0.610) 4.909 2.215 ( -1.262 -2.436 2.408) 3.650 2.215 ( -1.262 2.436 2.408) 3.650 2.548 ( 1.754 -3.190 2.957) 4.690 2.548 ( 1.754 3.190 2.957) 4.690 2.610 ( 4.643 -0.414 0.174) 4.664 2.610 ( 4.643 0.414 0.174) 4.664 2.704 ( 3.105 -5.310 -1.547) 6.343 2.704 ( 3.105 5.310 -1.547) 6.343 2.882 ( -0.618 -5.311 -0.579) 5.378 2.882 ( -0.618 5.311 -0.579) 5.378 3.008 ( 5.503 -1.514 1.996) 6.047 3.008 ( 5.503 1.514 1.996) 6.047 3.255 ( -1.344 -5.022 -2.048) 5.588 3.255 ( -1.344 5.022 -2.048) 5.588 3.413 ( 8.895 -2.851 -1.061) 9.400 3.413 ( 8.895 2.851 -1.061) 9.400 3.551 ( 8.684 -1.528 3.238) 9.393 3.551 ( 8.684 1.528 3.238) 9.393 3.711 ( -2.999 -3.448 1.795) 4.910 3.711 ( -2.999 3.448 1.795) 4.910 3.751 ( 1.173 -1.594 1.327) 2.382 3.751 ( 1.173 1.594 1.327) 2.382 3.840 ( -3.458 -2.042 1.411) 4.257 3.840 ( -3.458 2.042 1.411) 4.257 4.034 ( 1.944 -3.552 -3.523) 5.367 4.034 ( 1.944 3.552 -3.523) 5.367 4.236 ( -4.124 -0.076 -0.046) 4.125 4.236 ( -4.124 0.076 -0.046) 4.125 4.275 ( -3.335 -2.652 1.334) 4.465 4.275 ( -3.335 2.652 1.334) 4.465 4.456 ( -3.380 -5.792 -1.711) 6.921 4.456 ( -3.380 5.792 -1.711) 6.921 4.530 ( -2.620 -2.706 -1.857) 4.200 4.530 ( -2.620 2.706 -1.857) 4.200 5.334 ( -1.085 -1.526 -1.975) 2.722 5.334 ( -1.085 1.526 -1.975) 2.722 5.486 ( 0.570 -0.580 -0.670) 1.054 5.486 ( 0.570 0.580 -0.670) 1.054 5.574 ( -0.141 -1.485 1.448) 2.079 5.574 ( -0.141 1.485 1.448) 2.079 5.632 ( -1.432 -1.760 0.473) 2.318 5.632 ( -1.432 1.760 0.473) 2.318 5.904 ( -0.509 -0.569 0.644) 0.999 5.904 ( -0.509 0.569 0.644) 0.999 6.015 ( -1.746 -0.372 0.527) 1.861 6.015 ( -1.746 0.372 0.527) 1.861 9.796 ( 2.048 -3.345 -0.143) 3.924 9.796 ( 2.048 3.345 -0.143) 3.924 9.904 ( -2.903 -1.465 -1.295) 3.500 9.904 ( -2.903 1.465 -1.295) 3.500 10.062 ( 0.501 -1.764 2.644) 3.218 10.062 ( 0.501 1.764 2.644) 3.218 10.344 ( 0.567 -3.084 -1.618) 3.529 10.344 ( 0.567 3.084 -1.618) 3.529 10.771 ( -0.415 -0.784 0.079) 0.891 10.771 ( -0.415 0.784 0.079) 0.891 11.039 ( 0.477 -0.222 0.231) 0.575 11.039 ( 0.477 0.222 0.231) 0.575======================= Grid point 100 (53/76) =======================q-point: (-0.44 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.815 ( 2.411 -2.151 -0.066) 3.231 0.815 ( 2.411 2.151 -0.066) 3.232 1.121 ( -0.567 -4.385 1.460) 4.656 1.121 ( -0.567 4.385 1.460) 4.656 1.329 ( -1.242 -3.337 -3.694) 5.130 1.329 ( -1.242 3.337 -3.694) 5.130 1.428 ( -1.781 -1.505 -4.130) 4.743 1.428 ( -1.781 1.505 -4.130) 4.743 1.542 ( 1.277 -0.491 -2.550) 2.893 1.542 ( 1.277 0.491 -2.550) 2.893 1.736 ( -1.139 -1.235 0.531) 1.762 1.736 ( -1.139 1.235 0.531) 1.762 2.125 ( -6.937 -1.340 0.843) 7.115 2.125 ( -6.937 1.340 0.843) 7.115 2.237 ( 2.782 -1.155 2.276) 3.775 2.237 ( 2.782 1.155 2.276) 3.775 2.550 ( -3.667 -3.340 1.802) 5.277 2.550 ( -3.667 3.340 1.802) 5.277 2.621 ( -4.376 -1.836 1.334) 4.929 2.621 ( -4.376 1.836 1.334) 4.929 2.733 ( 0.914 -3.166 -1.825) 3.768 2.733 ( 0.914 3.166 -1.825) 3.768 2.838 ( -1.928 -2.123 -0.134) 2.871 2.838 ( -1.928 2.123 -0.134) 2.871 3.078 ( -4.556 -3.520 3.491) 6.733 3.078 ( -4.556 3.520 3.491) 6.733 3.160 ( -2.663 -5.920 -3.822) 7.533 3.160 ( -2.663 5.920 -3.822) 7.533 3.467 ( -9.693 -0.376 -1.255) 9.781 3.467 ( -9.693 0.376 -1.255) 9.781 3.561 ( -1.564 -1.324 3.497) 4.053 3.561 ( -1.564 1.324 3.497) 4.053 3.685 ( -1.674 -3.444 1.325) 4.052 3.685 ( -1.674 3.444 1.325) 4.052 3.804 ( 7.877 -1.258 1.889) 8.198 3.804 ( 7.877 1.258 1.889) 8.198 3.864 ( -2.208 -2.449 2.522) 4.152 3.864 ( -2.208 2.449 2.522) 4.152 4.006 ( -2.979 -2.076 -5.215) 6.354 4.006 ( -2.979 2.076 -5.215) 6.354 4.202 ( 1.794 -2.029 1.505) 3.099 4.202 ( 1.794 2.029 1.505) 3.099 4.290 ( 3.821 -3.915 -0.075) 5.471 4.290 ( 3.821 3.915 -0.075) 5.471 4.428 ( 2.858 -4.829 -1.393) 5.782 4.428 ( 2.858 4.829 -1.393) 5.782 4.532 ( 4.148 -2.465 -2.027) 5.234 4.532 ( 4.148 2.465 -2.027) 5.234 5.313 ( 0.485 -1.015 -1.594) 1.951 5.313 ( 0.485 1.015 -1.594) 1.951 5.499 ( 1.513 -0.573 -1.111) 1.962 5.499 ( 1.513 0.573 -1.111) 1.962 5.597 ( 1.053 -0.538 1.778) 2.135 5.597 ( 1.053 0.538 1.778) 2.135 5.616 ( -0.637 -1.235 0.224) 1.407 5.616 ( -0.637 1.235 0.224) 1.407 5.902 ( -0.406 -0.969 0.637) 1.229 5.902 ( -0.406 0.969 0.637) 1.229 6.025 ( 2.562 -0.440 0.523) 2.652 6.025 ( 2.562 0.440 0.523) 2.652 9.793 ( -1.989 -1.032 -0.029) 2.241 9.793 ( -1.989 1.032 -0.029) 2.241 9.880 ( 0.810 -1.599 -1.070) 2.088 9.880 ( 0.810 1.599 -1.070) 2.088 10.103 ( 1.721 -2.079 2.636) 3.772 10.103 ( 1.721 2.079 2.636) 3.772 10.329 ( -0.652 -2.134 -1.946) 2.961 10.329 ( -0.652 2.134 -1.946) 2.961 10.770 ( 0.316 -0.461 0.074) 0.563 10.770 ( 0.316 0.461 0.074) 0.563 11.041 ( -0.480 -0.346 0.232) 0.636 11.041 ( -0.480 0.346 0.232) 0.636======================= Grid point 102 (54/76) =======================q-point: (-0.33 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.874 ( 4.013 -3.715 -1.066) 5.572 0.874 ( 4.013 3.715 -1.066) 5.572 1.095 ( -3.051 -5.287 0.559) 6.129 1.095 ( -3.051 5.287 0.559) 6.129 1.268 ( -3.640 -3.359 0.537) 4.982 1.268 ( -3.640 3.359 0.537) 4.982 1.368 ( -1.247 -2.868 -4.558) 5.528 1.368 ( -1.247 2.868 -4.558) 5.528 1.539 ( -0.174 -2.123 -1.673) 2.709 1.539 ( -0.174 2.123 -1.673) 2.709 1.689 ( -5.014 -2.441 0.797) 5.634 1.689 ( -5.014 2.441 0.797) 5.634 1.964 ( -11.424 -3.099 0.740) 11.860 1.964 ( -11.424 3.099 0.740) 11.860 2.279 ( -1.042 -2.688 1.892) 3.448 2.279 ( -1.042 2.688 1.892) 3.448 2.397 ( -11.427 -4.204 -3.521) 12.674 2.397 ( -11.427 4.204 -3.521) 12.674 2.560 ( -6.297 -3.675 3.094) 7.920 2.560 ( -6.297 3.675 3.094) 7.920 2.678 ( -5.569 -2.572 -0.489) 6.153 2.678 ( -5.569 2.572 -0.489) 6.153 2.775 ( -5.868 -0.284 -0.462) 5.893 2.775 ( -5.868 0.284 -0.462) 5.893 2.948 ( -11.355 -3.153 5.253) 12.902 2.948 ( -11.355 3.153 5.253) 12.902 3.090 ( -0.561 -6.578 -4.390) 7.928 3.090 ( -0.561 6.578 -4.390) 7.928 3.314 ( -7.046 -1.426 0.468) 7.204 3.314 ( -7.046 1.426 0.468) 7.204 3.488 ( -5.045 -0.460 0.772) 5.124 3.488 ( -5.045 0.460 0.772) 5.124 3.707 ( -1.554 -4.334 4.960) 6.768 3.707 ( -1.554 4.334 4.960) 6.768 3.755 ( -5.550 -2.990 -5.019) 8.058 3.755 ( -5.550 2.990 -5.019) 8.058 3.932 ( 5.244 -2.206 -0.086) 5.690 3.932 ( 5.244 2.206 -0.086) 5.690 4.025 ( 7.016 -4.098 1.087) 8.198 4.025 ( 7.016 4.098 1.087) 8.198 4.235 ( 1.133 -3.998 -0.824) 4.236 4.235 ( 1.133 3.998 -0.824) 4.236 4.347 ( 1.398 -3.687 0.015) 3.943 4.347 ( 1.398 3.687 0.015) 3.943 4.522 ( 7.377 -1.876 -0.287) 7.618 4.522 ( 7.377 1.876 -0.287) 7.618 4.633 ( 7.717 -1.556 -0.676) 7.901 4.633 ( 7.717 1.556 -0.676) 7.901 5.327 ( 2.088 -0.748 -0.730) 2.334 5.327 ( 2.088 0.748 -0.730) 2.334 5.516 ( 1.488 -0.610 -1.322) 2.082 5.516 ( 1.488 0.610 -1.322) 2.082 5.611 ( 0.255 -1.839 0.033) 1.857 5.611 ( 0.255 1.839 0.033) 1.857 5.636 ( 1.542 -0.412 1.367) 2.101 5.636 ( 1.542 0.412 1.367) 2.101 5.906 ( 0.636 -1.087 0.349) 1.306 5.906 ( 0.636 1.087 0.349) 1.306 6.096 ( 4.342 -1.505 0.539) 4.627 6.096 ( 4.342 1.505 0.539) 4.627 9.756 ( -2.104 -1.222 0.411) 2.467 9.756 ( -2.104 1.222 0.411) 2.467 9.884 ( 0.142 -1.624 -0.447) 1.690 9.884 ( 0.142 1.624 -0.447) 1.690 10.158 ( 2.251 -6.277 1.200) 6.776 10.158 ( 2.251 6.277 1.200) 6.776 10.296 ( -0.939 -2.860 -1.663) 3.439 10.296 ( -0.939 2.860 -1.663) 3.439 10.785 ( 1.219 -0.625 0.123) 1.375 10.785 ( 1.219 0.625 0.123) 1.375 11.026 ( -1.383 -0.946 0.234) 1.692 11.026 ( -1.383 0.946 0.234) 1.692======================= Grid point 104 (55/76) =======================q-point: (-0.22 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.908 ( 0.655 -1.329 -2.035) 2.517 0.908 ( 0.655 1.329 -2.035) 2.517 1.040 ( -3.918 -4.732 0.867) 6.204 1.040 ( -3.918 4.732 0.867) 6.204 1.200 ( -5.707 -2.920 0.294) 6.417 1.200 ( -5.707 2.920 0.294) 6.417 1.302 ( -2.902 -2.907 -2.593) 4.858 1.302 ( -2.902 2.907 -2.593) 4.858 1.471 ( -7.874 -0.821 1.307) 8.024 1.471 ( -7.874 0.821 1.307) 8.024 1.595 ( -6.338 -1.170 2.672) 6.978 1.595 ( -6.338 1.170 2.672) 6.978 1.774 ( -10.160 -4.466 2.827) 11.452 1.774 ( -10.160 4.466 2.827) 11.452 2.099 ( -15.180 -3.798 -2.185) 15.799 2.099 ( -15.180 3.798 -2.185) 15.799 2.265 ( -3.022 -2.316 -5.105) 6.369 2.265 ( -3.022 2.316 -5.105) 6.369 2.419 ( -10.058 -2.006 1.011) 10.306 2.419 ( -10.058 2.006 1.011) 10.306 2.533 ( -9.150 -5.209 2.451) 10.811 2.533 ( -9.150 5.209 2.451) 10.811 2.684 ( -3.631 -3.003 -0.430) 4.731 2.684 ( -3.631 3.003 -0.430) 4.731 2.850 ( -4.828 -1.775 5.090) 7.236 2.850 ( -4.828 1.775 5.090) 7.236 3.056 ( -0.325 -6.183 -3.966) 7.353 3.056 ( -0.325 6.183 -3.966) 7.353 3.247 ( -1.221 -1.145 0.533) 1.757 3.247 ( -1.221 1.145 0.533) 1.757 3.414 ( -2.558 -1.680 -1.634) 3.470 3.414 ( -2.558 1.680 -1.634) 3.470 3.589 ( -5.135 -3.343 -2.670) 6.683 3.589 ( -5.135 3.343 -2.670) 6.683 3.799 ( 3.851 -1.010 3.203) 5.110 3.799 ( 3.851 1.010 3.203) 5.110 4.007 ( 3.065 -1.376 0.268) 3.371 4.007 ( 3.065 1.376 0.268) 3.371 4.150 ( 5.644 -0.834 -0.040) 5.706 4.150 ( 5.644 0.834 -0.040) 5.706 4.249 ( 1.241 -5.643 0.473) 5.797 4.249 ( 1.241 5.643 0.473) 5.797 4.350 ( -0.367 -2.991 -0.017) 3.013 4.350 ( -0.367 2.991 -0.017) 3.013 4.643 ( 5.731 -0.299 0.494) 5.760 4.643 ( 5.731 0.299 0.494) 5.760 4.758 ( 6.584 -1.060 -0.361) 6.678 4.758 ( 6.584 1.060 -0.361) 6.678 5.365 ( 2.203 -0.998 0.152) 2.423 5.365 ( 2.203 0.998 0.152) 2.423 5.527 ( 1.046 -0.564 -1.317) 1.774 5.527 ( 1.046 0.564 -1.317) 1.774 5.622 ( 0.803 -1.769 0.098) 1.945 5.622 ( 0.803 1.769 0.098) 1.945 5.671 ( 1.295 -1.090 0.798) 1.871 5.671 ( 1.295 1.090 0.798) 1.871 5.929 ( 1.477 -0.935 0.447) 1.804 5.929 ( 1.477 0.935 0.447) 1.804 6.161 ( 2.527 -3.087 -0.599) 4.034 6.161 ( 2.527 3.087 -0.599) 4.034 9.727 ( -1.257 -2.150 -0.268) 2.504 9.727 ( -1.257 2.150 -0.268) 2.504 9.884 ( -0.452 -2.124 1.774) 2.804 9.884 ( -0.452 2.124 1.774) 2.804 10.175 ( -0.667 -4.856 -0.452) 4.922 10.175 ( -0.667 4.856 -0.452) 4.922 10.294 ( 2.116 -1.471 -1.127) 2.813 10.294 ( 2.116 1.471 -1.127) 2.813 10.811 ( 1.519 -1.312 -0.004) 2.007 10.811 ( 1.519 1.312 -0.004) 2.007 10.996 ( -2.212 -1.332 0.075) 2.583 10.996 ( -2.212 1.332 0.075) 2.583======================= Grid point 106 (56/76) =======================q-point: (-0.11 -0.50 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.829 ( -9.303 -4.829 -1.016) 10.531 0.829 ( -9.303 4.829 -1.016) 10.531 0.970 ( -4.138 -6.971 1.642) 8.271 0.970 ( -4.138 6.971 1.642) 8.271 1.082 ( -4.161 -5.844 -2.942) 7.754 1.082 ( -4.161 5.844 -2.942) 7.754 1.188 ( -6.114 -3.269 -4.910) 8.495 1.188 ( -6.114 3.269 -4.910) 8.495 1.396 ( -3.524 -8.055 7.097) 11.299 1.396 ( -3.524 8.055 7.097) 11.299 1.481 ( -8.951 -3.071 4.360) 10.419 1.481 ( -8.951 3.071 4.360) 10.419 1.699 ( -3.795 -4.881 5.550) 8.308 1.699 ( -3.795 4.881 5.550) 8.308 1.885 ( -5.141 -3.723 -1.175) 6.456 1.885 ( -5.141 3.723 -1.175) 6.456 2.099 ( -9.292 -2.082 -3.097) 10.013 2.099 ( -9.292 2.082 -3.097) 10.013 2.304 ( -2.409 -5.624 -3.067) 6.844 2.304 ( -2.409 5.624 -3.067) 6.844 2.463 ( -2.750 -6.239 3.829) 7.820 2.463 ( -2.750 6.239 3.829) 7.820 2.631 ( -1.805 -4.580 -0.502) 4.948 2.631 ( -1.805 4.580 -0.502) 4.948 2.810 ( -3.130 -4.369 -0.178) 5.377 2.810 ( -3.130 4.369 -0.178) 5.377 3.017 ( 0.300 -4.692 -4.836) 6.745 3.017 ( 0.300 4.692 -4.836) 6.745 3.233 ( 0.046 -0.424 -2.884) 2.916 3.233 ( 0.046 0.424 -2.884) 2.916 3.400 ( 0.656 -2.396 2.321) 3.400 3.400 ( 0.656 2.396 2.321) 3.400 3.526 ( -1.387 -4.426 0.701) 4.691 3.526 ( -1.387 4.426 0.701) 4.691 3.872 ( 2.091 -1.958 0.325) 2.883 3.872 ( 2.091 1.958 0.325) 2.883 4.053 ( 1.625 -2.110 1.918) 3.282 4.053 ( 1.625 2.110 1.918) 3.282 4.209 ( 2.318 -3.262 -2.255) 4.594 4.209 ( 2.318 3.262 -2.255) 4.594 4.289 ( 1.715 -5.166 2.293) 5.906 4.289 ( 1.715 5.166 2.293) 5.906 4.351 ( -0.219 -2.297 1.969) 3.034 4.351 ( -0.219 2.297 1.969) 3.034 4.722 ( 2.746 -0.395 0.666) 2.853 4.722 ( 2.746 0.395 0.666) 2.853 4.850 ( 4.153 -0.618 -0.481) 4.227 4.850 ( 4.153 0.618 -0.481) 4.227 5.398 ( 1.128 -0.575 0.661) 1.428 5.398 ( 1.128 0.575 0.661) 1.428 5.532 ( 0.772 -0.787 -1.287) 1.694 5.532 ( 0.772 0.787 -1.287) 1.694 5.636 ( 0.532 -1.251 0.350) 1.403 5.636 ( 0.532 1.251 0.350) 1.403 5.690 ( 0.461 -1.329 -0.144) 1.414 5.690 ( 0.461 1.329 -0.144) 1.414 5.960 ( 1.270 -0.997 0.951) 1.874 5.960 ( 1.270 0.997 0.951) 1.874 6.169 ( -0.048 -4.033 -2.365) 4.676 6.169 ( -0.048 4.033 -2.365) 4.676 9.704 ( -0.559 -1.671 -1.578) 2.365 9.704 ( -0.559 1.671 -1.578) 2.365 9.899 ( -0.521 -2.314 3.363) 4.115 9.899 ( -0.521 2.314 3.363) 4.115 10.161 ( -0.542 -2.500 0.986) 2.742 10.161 ( -0.542 2.500 0.986) 2.742 10.325 ( 2.412 -5.231 -1.974) 6.089 10.325 ( 2.412 5.231 -1.974) 6.089 10.833 ( 1.039 -1.498 -0.066) 1.824 10.833 ( 1.039 1.498 -0.066) 1.824 10.953 ( -2.339 -1.123 -0.391) 2.624 10.953 ( -2.339 1.123 -0.391) 2.624======================= Grid point 126 (57/76) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 40Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.450 ( 3.017 0.000 -13.946) 14.269 0.450 ( -3.017 0.000 13.946) 14.269 0.743 ( 1.189 0.000 -18.492) 18.530 0.743 ( -1.189 0.000 18.492) 18.530 1.072 ( 0.580 0.000 -11.559) 11.574 1.072 ( -0.580 0.000 11.559) 11.574 1.157 ( 2.492 0.000 -8.939) 9.280 1.157 ( -2.492 0.000 8.939) 9.280 1.446 ( -0.713 0.000 -2.514) 2.613 1.446 ( 0.713 0.000 2.514) 2.613 1.533 ( 0.706 0.000 -2.947) 3.031 1.533 ( -0.706 0.000 2.947) 3.031 1.752 ( -1.253 0.000 -2.378) 2.688 1.752 ( 1.253 0.000 2.378) 2.688 1.846 ( 3.204 0.000 -2.192) 3.882 1.846 ( -3.204 0.000 2.192) 3.882 1.994 ( -0.297 0.000 -2.311) 2.330 1.994 ( 0.297 0.000 2.311) 2.330 2.096 ( -0.107 0.000 -1.498) 1.501 2.096 ( 0.107 0.000 1.498) 1.501 2.520 ( -2.130 0.000 -10.769) 10.978 2.520 ( 2.130 0.000 10.769) 10.978 2.553 ( -7.159 0.000 1.771) 7.375 2.553 ( 7.159 0.000 -1.771) 7.375 2.762 ( -0.758 0.000 -10.512) 10.540 2.762 ( 0.758 0.000 10.512) 10.540 2.968 ( 3.181 0.000 -1.972) 3.742 2.968 ( -3.181 0.000 1.972) 3.742 3.244 ( -4.227 0.000 -4.361) 6.073 3.244 ( 4.227 0.000 4.361) 6.073 3.400 ( 2.973 0.000 -3.131) 4.318 3.400 ( -2.973 0.000 3.131) 4.318 3.516 ( 1.125 0.000 -1.753) 2.083 3.516 ( -1.125 0.000 1.753) 2.083 3.808 ( -0.818 0.000 -7.206) 7.252 3.808 ( 0.818 0.000 7.206) 7.252 4.093 ( 2.136 0.000 -5.448) 5.851 4.093 ( -2.136 0.000 5.448) 5.851 4.142 ( -2.056 0.000 -1.577) 2.591 4.142 ( 2.056 0.000 1.577) 2.591 4.374 ( 2.840 0.000 -1.108) 3.049 4.374 ( -2.840 0.000 1.108) 3.049 4.405 ( -4.130 0.000 -0.412) 4.151 4.405 ( 4.130 0.000 0.412) 4.151 4.812 ( -1.707 0.000 -0.503) 1.780 4.812 ( 1.707 0.000 0.503) 1.780 4.895 ( -1.104 0.000 -0.404) 1.176 4.895 ( 1.104 0.000 0.404) 1.176 5.499 ( -1.012 0.000 -0.023) 1.013 5.499 ( 1.012 0.000 0.023) 1.013 5.537 ( 1.142 0.000 -1.075) 1.568 5.537 ( -1.142 0.000 1.075) 1.568 5.614 ( 2.140 0.000 -1.126) 2.418 5.614 ( -2.140 0.000 1.126) 2.418 5.648 ( 4.070 0.000 -2.551) 4.804 5.648 ( -4.070 0.000 2.551) 4.804 5.992 ( -0.244 0.000 -0.310) 0.395 5.992 ( 0.244 0.000 0.310) 0.395 6.075 ( 3.438 0.000 -1.480) 3.743 6.075 ( -3.438 0.000 1.480) 3.743 9.696 ( 0.111 0.000 -1.607) 1.611 9.696 ( -0.111 0.000 1.607) 1.611 9.919 ( -1.348 0.000 -2.956) 3.248 9.919 ( 1.348 0.000 2.956) 3.248 10.074 ( -3.889 0.000 -4.043) 5.610 10.074 ( 3.889 0.000 4.043) 5.610 10.702 ( -2.243 0.000 -1.911) 2.946 10.702 ( 2.243 0.000 1.911) 2.946 10.859 ( -2.648 0.000 -0.908) 2.800 10.859 ( 2.648 0.000 0.908) 2.800 10.863 ( -4.228 0.000 -0.606) 4.271 10.863 ( 4.228 0.000 0.606) 4.271======================= Grid point 128 (58/76) =======================q-point: ( 0.11 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.625 ( 19.136 0.000 -8.138) 20.795 0.650 ( 5.479 0.000 -16.793) 17.664 0.747 ( 18.711 0.000 10.230) 21.325 0.886 ( 0.737 0.000 15.921) 15.938 1.024 ( 9.197 0.000 -20.397) 22.375 1.170 ( -1.816 0.000 10.835) 10.986 1.241 ( 10.849 0.000 -0.897) 10.886 1.260 ( 8.546 0.000 1.548) 8.685 1.463 ( 3.757 0.000 -1.865) 4.195 1.481 ( 0.113 0.000 0.498) 0.511 1.522 ( -1.347 0.000 -1.845) 2.285 1.594 ( 8.720 0.000 0.842) 8.760 1.751 ( 4.626 0.000 -2.162) 5.106 1.767 ( 0.865 0.000 1.614) 1.831 1.932 ( 5.004 0.000 1.698) 5.284 1.943 ( 8.120 0.000 -2.269) 8.431 2.035 ( 9.466 0.000 1.064) 9.526 2.073 ( 6.245 0.000 4.016) 7.425 2.149 ( 7.499 0.000 -0.129) 7.500 2.156 ( 5.080 0.000 2.450) 5.640 2.383 ( -1.670 0.000 -11.982) 12.098 2.464 ( -1.814 0.000 -3.454) 3.901 2.622 ( 2.982 0.000 0.453) 3.016 2.682 ( 10.437 0.000 -5.623) 11.855 2.723 ( 0.559 0.000 5.402) 5.431 2.873 ( -2.214 0.000 15.484) 15.642 2.957 ( 0.960 0.000 2.830) 2.989 2.998 ( 1.030 0.000 -4.791) 4.901 3.146 ( -1.276 0.000 -1.131) 1.705 3.300 ( -1.239 0.000 2.404) 2.705 3.403 ( 0.423 0.000 3.338) 3.365 3.418 ( 0.486 0.000 -0.723) 0.872 3.542 ( 3.119 0.000 0.794) 3.219 3.547 ( 3.364 0.000 -0.548) 3.408 3.732 ( -0.860 0.000 -6.801) 6.855 3.847 ( -2.836 0.000 4.242) 5.102 4.024 ( -6.024 0.000 0.321) 6.033 4.048 ( -1.654 0.000 -4.792) 5.070 4.138 ( -0.065 0.000 2.911) 2.912 4.172 ( -0.481 0.000 -0.083) 0.488 4.298 ( -2.932 0.000 -5.247) 6.010 4.307 ( -2.556 0.000 -3.806) 4.585 4.410 ( 0.368 0.000 0.864) 0.939 4.457 ( 0.335 0.000 2.067) 2.094 4.750 ( -5.453 0.000 1.028) 5.550 4.809 ( -3.242 0.000 1.096) 3.422 4.848 ( -3.425 0.000 0.185) 3.430 4.888 ( -2.063 0.000 -0.138) 2.067 5.476 ( -1.659 0.000 0.180) 1.669 5.488 ( -2.594 0.000 -0.022) 2.594 5.529 ( -0.244 0.000 1.910) 1.926 5.532 ( -0.402 0.000 -1.141) 1.210 5.587 ( -1.812 0.000 3.325) 3.787 5.599 ( -1.305 0.000 -0.689) 1.476 5.646 ( -0.608 0.000 1.355) 1.485 5.769 ( 4.370 0.000 3.604) 5.664 5.982 ( -0.543 0.000 -0.423) 0.688 5.997 ( -3.348 0.000 -1.080) 3.518 6.004 ( 0.240 0.000 -0.228) 0.331 6.086 ( -0.065 0.000 -2.644) 2.645 9.711 ( 2.788 0.000 -1.053) 2.980 9.713 ( -0.060 0.000 -0.156) 0.167 9.857 ( -0.882 0.000 -4.912) 4.991 9.964 ( 1.842 0.000 1.634) 2.463 10.006 ( 0.298 0.000 -2.006) 2.029 10.154 ( 1.505 0.000 2.714) 3.104 10.593 ( -8.065 0.000 0.184) 8.067 10.673 ( -6.115 0.000 -1.702) 6.348 10.785 ( -2.248 0.000 -1.952) 2.977 10.799 ( -2.340 0.000 0.441) 2.381 10.919 ( 2.981 0.000 -0.249) 2.992 10.966 ( 3.999 0.000 2.005) 4.473======================= Grid point 129 (59/76) =======================q-point: ( 0.22 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.671 ( 10.040 0.000 -11.564) 15.315 0.812 ( 10.278 0.000 -8.690) 13.460 1.026 ( 4.337 0.000 8.401) 9.454 1.081 ( 8.591 0.000 -8.538) 12.112 1.106 ( 10.254 0.000 7.480) 12.692 1.199 ( -0.629 0.000 4.000) 4.049 1.377 ( 3.049 0.000 0.706) 3.129 1.393 ( 1.580 0.000 -1.469) 2.157 1.436 ( 0.763 0.000 0.887) 1.170 1.479 ( -0.420 0.000 1.039) 1.120 1.621 ( 11.277 0.000 -1.345) 11.357 1.743 ( 5.541 0.000 1.340) 5.701 1.850 ( 6.885 0.000 0.031) 6.885 1.926 ( 14.957 0.000 -1.044) 14.993 2.007 ( 7.747 0.000 -2.209) 8.055 2.057 ( 5.311 0.000 -0.053) 5.312 2.190 ( 1.126 0.000 -12.419) 12.470 2.260 ( 10.880 0.000 -2.048) 11.071 2.305 ( 14.442 0.000 3.526) 14.866 2.307 ( 10.878 0.000 0.409) 10.886 2.468 ( 7.262 0.000 -0.964) 7.326 2.473 ( 17.022 0.000 4.303) 17.557 2.685 ( 4.688 0.000 2.898) 5.512 2.808 ( 7.851 0.000 -4.333) 8.968 2.828 ( 3.045 0.000 4.082) 5.093 2.918 ( -2.468 0.000 -2.645) 3.618 2.920 ( -0.070 0.000 6.106) 6.107 3.060 ( 3.544 0.000 8.877) 9.558 3.206 ( 5.419 0.000 1.636) 5.661 3.282 ( -1.810 0.000 1.169) 2.155 3.428 ( 2.575 0.000 -1.179) 2.832 3.432 ( 1.428 0.000 -0.730) 1.604 3.606 ( 3.501 0.000 -1.565) 3.835 3.628 ( 5.881 0.000 -1.831) 6.159 3.687 ( 0.752 0.000 -0.344) 0.827 3.805 ( -3.091 0.000 1.792) 3.573 3.922 ( -5.880 0.000 0.382) 5.893 3.964 ( -3.850 0.000 -3.547) 5.235 4.114 ( -5.048 0.000 -0.791) 5.110 4.156 ( -1.583 0.000 3.015) 3.405 4.234 ( -1.351 0.000 -5.055) 5.232 4.234 ( -0.976 0.000 -3.905) 4.025 4.419 ( -0.482 0.000 2.211) 2.263 4.463 ( -1.094 0.000 1.363) 1.748 4.640 ( -8.145 0.000 1.488) 8.280 4.713 ( -7.149 0.000 -0.778) 7.191 4.795 ( -4.569 0.000 2.794) 5.355 4.818 ( -5.153 0.000 -1.296) 5.314 5.439 ( -2.804 0.000 0.011) 2.804 5.440 ( -2.739 0.000 0.197) 2.746 5.512 ( -0.912 0.000 -0.644) 1.117 5.534 ( -1.050 0.000 1.114) 1.531 5.573 ( -1.092 0.000 -0.151) 1.102 5.587 ( -1.650 0.000 3.384) 3.765 5.638 ( -1.013 0.000 0.560) 1.158 5.765 ( -3.992 0.000 -1.864) 4.406 5.937 ( -1.772 0.000 -0.987) 2.028 5.967 ( -0.849 0.000 -0.122) 0.858 6.029 ( -0.775 0.000 2.486) 2.604 6.039 ( -2.719 0.000 -2.211) 3.505 9.694 ( 0.025 0.000 -0.127) 0.129 9.765 ( 3.543 0.000 -0.413) 3.567 9.849 ( 2.356 0.000 -2.988) 3.805 10.005 ( 1.375 0.000 0.638) 1.516 10.041 ( 3.882 0.000 0.162) 3.885 10.171 ( -0.704 0.000 0.556) 0.897 10.458 ( -8.014 0.000 2.349) 8.351 10.518 ( -6.065 0.000 -5.864) 8.436 10.748 ( -1.232 0.000 -0.458) 1.315 10.774 ( -0.974 0.000 0.183) 0.991 10.966 ( 2.672 0.000 -0.296) 2.688 11.025 ( 1.770 0.000 0.620) 1.875======================= Grid point 130 (60/76) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.790 ( 11.303 0.000 -6.538) 13.058 0.907 ( 7.102 0.000 -3.380) 7.866 1.108 ( 3.626 0.000 -8.300) 9.057 1.156 ( 0.177 0.000 6.575) 6.578 1.177 ( -3.418 0.000 5.630) 6.586 1.222 ( -1.210 0.000 -1.586) 1.995 1.360 ( -0.825 0.000 3.039) 3.149 1.404 ( -0.527 0.000 2.343) 2.401 1.485 ( 1.854 0.000 -1.364) 2.302 1.508 ( 1.490 0.000 2.024) 2.513 1.773 ( 5.921 0.000 -1.256) 6.053 1.824 ( 2.804 0.000 0.279) 2.817 1.973 ( 7.894 0.000 -0.962) 7.952 2.073 ( 2.257 0.000 -0.238) 2.270 2.121 ( 2.397 0.000 -9.525) 9.822 2.158 ( 5.609 0.000 -3.740) 6.742 2.217 ( 14.343 0.000 0.548) 14.354 2.385 ( 10.141 0.000 -1.399) 10.238 2.546 ( 9.943 0.000 2.190) 10.181 2.559 ( 14.324 0.000 0.948) 14.355 2.676 ( 11.108 0.000 0.888) 11.143 2.786 ( 8.274 0.000 5.353) 9.855 2.793 ( -2.139 0.000 -2.399) 3.214 2.843 ( 7.429 0.000 7.110) 10.283 2.870 ( 1.626 0.000 -0.230) 1.643 2.966 ( 3.936 0.000 1.071) 4.079 3.032 ( 10.258 0.000 1.505) 10.368 3.199 ( 3.399 0.000 8.760) 9.396 3.275 ( 2.861 0.000 -4.106) 5.004 3.342 ( 9.144 0.000 1.356) 9.244 3.439 ( 1.082 0.000 -2.763) 2.967 3.483 ( 5.436 0.000 -4.213) 6.878 3.652 ( 6.186 0.000 -4.184) 7.468 3.699 ( 4.784 0.000 0.382) 4.799 3.768 ( -2.582 0.000 1.132) 2.819 3.798 ( 6.500 0.000 5.782) 8.699 3.851 ( -3.694 0.000 2.577) 4.504 3.856 ( -5.349 0.000 -2.556) 5.928 4.020 ( -3.869 0.000 -0.342) 3.884 4.128 ( -1.460 0.000 -2.647) 3.023 4.143 ( -3.379 0.000 -5.367) 6.342 4.195 ( -3.106 0.000 0.868) 3.225 4.418 ( -5.790 0.000 -1.239) 5.921 4.420 ( -2.504 0.000 2.955) 3.873 4.512 ( -6.402 0.000 1.821) 6.656 4.560 ( -8.594 0.000 -1.772) 8.775 4.699 ( -5.716 0.000 -2.821) 6.374 4.723 ( -7.067 0.000 4.443) 8.347 5.386 ( -2.773 0.000 0.249) 2.784 5.401 ( -1.729 0.000 0.068) 1.730 5.490 ( -1.262 0.000 -0.206) 1.279 5.508 ( -2.525 0.000 0.539) 2.582 5.563 ( 0.012 0.000 0.374) 0.374 5.579 ( -2.251 0.000 3.252) 3.955 5.627 ( -0.307 0.000 -0.257) 0.400 5.675 ( -2.290 0.000 -4.697) 5.225 5.901 ( -1.685 0.000 -0.454) 1.745 5.952 ( -0.930 0.000 -0.013) 0.930 5.967 ( -3.300 0.000 -1.086) 3.474 6.006 ( -3.079 0.000 1.619) 3.478 9.725 ( 0.933 0.000 3.992) 4.100 9.809 ( 1.681 0.000 -1.030) 1.972 9.870 ( 3.000 0.000 -2.745) 4.067 10.015 ( -0.574 0.000 -0.164) 0.597 10.121 ( 4.155 0.000 0.796) 4.230 10.156 ( -0.864 0.000 0.090) 0.869 10.362 ( -5.293 0.000 2.836) 6.004 10.384 ( -4.006 0.000 -5.157) 6.530 10.734 ( -0.330 0.000 0.524) 0.620 10.764 ( -0.238 0.000 -0.318) 0.397 11.006 ( 2.094 0.000 -0.170) 2.101 11.047 ( 0.706 0.000 -0.154) 0.722======================= Grid point 131 (61/76) =======================q-point: ( 0.44 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 76Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.941 ( 10.030 0.000 -3.122) 10.504 1.009 ( 3.821 0.000 4.616) 5.992 1.070 ( -4.410 0.000 -1.336) 4.608 1.116 ( -3.281 0.000 -5.489) 6.395 1.148 ( 2.410 0.000 -5.990) 6.457 1.174 ( -5.705 0.000 7.259) 9.233 1.426 ( -0.149 0.000 4.800) 4.802 1.434 ( 2.943 0.000 4.343) 5.247 1.476 ( 0.349 0.000 -3.393) 3.411 1.516 ( -1.270 0.000 -1.480) 1.950 1.827 ( 2.240 0.000 -1.229) 2.555 1.845 ( -0.327 0.000 0.150) 0.360 2.085 ( 2.871 0.000 -0.375) 2.895 2.090 ( -0.573 0.000 1.933) 2.016 2.110 ( 4.108 0.000 -3.391) 5.326 2.165 ( -0.041 0.000 -3.702) 3.702 2.444 ( 9.166 0.000 0.831) 9.203 2.517 ( 2.055 0.000 -0.024) 2.055 2.693 ( 5.741 0.000 1.042) 5.835 2.760 ( 5.374 0.000 -4.169) 6.801 2.771 ( 2.088 0.000 0.707) 2.205 2.803 ( 2.897 0.000 4.185) 5.090 2.848 ( -1.814 0.000 2.093) 2.770 2.859 ( -3.752 0.000 1.937) 4.222 2.986 ( 6.662 0.000 2.031) 6.965 3.094 ( 7.934 0.000 0.994) 7.996 3.113 ( -2.944 0.000 -1.199) 3.179 3.220 ( -4.731 0.000 -3.583) 5.935 3.432 ( 12.995 0.000 4.923) 13.896 3.481 ( 5.677 0.000 -1.635) 5.908 3.504 ( 4.391 0.000 0.884) 4.479 3.573 ( 7.364 0.000 -1.738) 7.566 3.675 ( -5.399 0.000 -2.126) 5.803 3.737 ( 2.199 0.000 1.105) 2.461 3.772 ( -8.316 0.000 2.645) 8.727 3.795 ( -1.033 0.000 -1.182) 1.570 3.823 ( 12.214 0.000 -5.213) 13.280 3.960 ( 3.746 0.000 2.779) 4.664 3.966 ( -4.668 0.000 6.402) 7.923 4.064 ( -1.958 0.000 -5.551) 5.886 4.088 ( 1.872 0.000 -2.501) 3.124 4.137 ( -5.067 0.000 2.112) 5.490 4.289 ( -3.264 0.000 0.012) 3.264 4.349 ( -7.034 0.000 1.610) 7.216 4.431 ( -2.999 0.000 -2.512) 3.912 4.433 ( -3.513 0.000 -0.871) 3.620 4.616 ( 0.579 0.000 -4.726) 4.762 4.637 ( -6.690 0.000 6.164) 9.097 5.364 ( -0.313 0.000 1.084) 1.128 5.379 ( -0.801 0.000 -0.495) 0.942 5.466 ( -0.769 0.000 -0.576) 0.960 5.469 ( -1.783 0.000 0.473) 1.845 5.573 ( -0.993 0.000 2.615) 2.797 5.575 ( 0.597 0.000 0.247) 0.646 5.617 ( -0.853 0.000 0.051) 0.855 5.617 ( -0.061 0.000 -3.778) 3.778 5.880 ( -0.094 0.000 -0.077) 0.121 5.902 ( -2.382 0.000 -0.459) 2.426 5.952 ( 0.301 0.000 -0.005) 0.301 5.968 ( -1.955 0.000 0.664) 2.065 9.772 ( 0.343 0.000 4.234) 4.248 9.805 ( 0.001 0.000 -2.867) 2.867 9.917 ( 4.026 0.000 -1.097) 4.173 9.980 ( -3.285 0.000 0.167) 3.290 10.160 ( 0.902 0.000 1.115) 1.435 10.177 ( 1.174 0.000 -0.386) 1.236 10.303 ( -0.574 0.000 -3.319) 3.368 10.311 ( -3.030 0.000 2.103) 3.688 10.742 ( 0.306 0.000 1.071) 1.113 10.756 ( -0.205 0.000 -0.902) 0.925 11.035 ( 1.238 0.000 0.028) 1.239 11.049 ( -0.266 0.000 -0.215) 0.343======================= Grid point 136 (62/76) =======================q-point: ( 0.00 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.504 ( 2.226 5.732 -11.917) 13.410 0.504 ( -2.226 5.732 11.917) 13.410 0.709 ( 1.443 -1.058 -17.055) 17.149 0.709 ( -1.443 -1.058 17.055) 17.149 1.101 ( 0.118 1.273 -3.112) 3.365 1.101 ( -0.118 1.273 3.112) 3.365 1.196 ( 2.711 1.802 -9.917) 10.438 1.196 ( -2.711 1.802 9.917) 10.438 1.419 ( -0.037 -1.996 -2.188) 2.961 1.419 ( 0.037 -1.996 2.188) 2.961 1.535 ( 1.401 0.743 -2.799) 3.217 1.535 ( -1.401 0.743 2.799) 3.217 1.765 ( -1.968 0.602 -3.283) 3.875 1.765 ( 1.968 0.602 3.283) 3.875 1.837 ( 1.332 -0.259 -4.974) 5.155 1.837 ( -1.332 -0.259 4.974) 5.155 1.976 ( 0.432 -0.818 -1.974) 2.180 1.976 ( -0.432 -0.818 1.974) 2.180 2.168 ( -1.022 6.091 -1.261) 6.303 2.168 ( 1.022 6.091 1.261) 6.303 2.440 ( -0.768 -5.763 -11.418) 12.813 2.440 ( 0.768 -5.763 11.418) 12.813 2.583 ( 2.151 1.871 -3.202) 4.287 2.583 ( -2.151 1.871 3.202) 4.287 2.778 ( 1.221 1.154 -10.507) 10.641 2.778 ( -1.221 1.154 10.507) 10.641 2.975 ( -3.391 -1.002 0.304) 3.550 2.975 ( 3.391 -1.002 -0.304) 3.550 3.201 ( -3.089 -2.898 -2.270) 4.805 3.201 ( 3.089 -2.898 2.270) 4.805 3.435 ( -2.304 3.246 -1.467) 4.242 3.435 ( 2.304 3.246 1.467) 4.242 3.545 ( 2.641 2.130 -3.987) 5.235 3.545 ( -2.641 2.130 3.987) 5.235 3.824 ( -1.572 0.984 -3.692) 4.132 3.824 ( 1.572 0.984 3.692) 4.132 4.033 ( 1.180 -2.170 -2.995) 3.882 4.033 ( -1.180 -2.170 2.995) 3.882 4.188 ( -1.200 2.747 -2.357) 3.813 4.188 ( 1.200 2.747 2.357) 3.813 4.336 ( -2.354 -2.602 -2.065) 4.071 4.336 ( 2.354 -2.602 2.065) 4.071 4.462 ( 0.295 2.949 -5.782) 6.497 4.462 ( -0.295 2.949 5.782) 6.497 4.798 ( 0.608 -1.349 -0.510) 1.565 4.798 ( -0.608 -1.349 0.510) 1.565 4.886 ( -0.804 -0.666 -0.813) 1.323 4.886 ( 0.804 -0.666 0.813) 1.323 5.473 ( -1.082 -2.106 -0.052) 2.368 5.473 ( 1.082 -2.106 0.052) 2.368 5.527 ( 1.120 -0.508 -0.853) 1.497 5.527 ( -1.120 -0.508 0.853) 1.497 5.640 ( -0.496 1.258 -1.040) 1.706 5.640 ( 0.496 1.258 1.040) 1.706 5.654 ( -1.602 0.797 -0.273) 1.810 5.654 ( 1.602 0.797 0.273) 1.810 5.979 ( -1.106 -0.282 -0.637) 1.307 5.979 ( 1.106 -0.282 0.637) 1.307 6.095 ( 0.495 1.086 -3.103) 3.324 6.095 ( -0.495 1.086 3.103) 3.324 9.681 ( -0.278 -1.164 -1.257) 1.736 9.681 ( 0.278 -1.164 1.257) 1.736 9.936 ( -1.048 1.181 -2.765) 3.184 9.936 ( 1.048 1.181 2.765) 3.184 10.088 ( -4.499 1.728 -3.656) 6.049 10.088 ( 4.499 1.728 3.656) 6.049 10.602 ( 3.088 -9.201 -2.536) 10.031 10.602 ( -3.088 -9.201 2.536) 10.031 10.848 ( -2.081 -0.243 -1.564) 2.614 10.848 ( 2.081 -0.243 1.564) 2.614 10.884 ( -1.750 1.155 -1.032) 2.337 10.884 ( 1.750 1.155 1.032) 2.337======================= Grid point 138 (63/76) =======================q-point: ( 0.11 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.619 ( 7.719 0.471 -11.388) 13.766 0.664 ( 14.291 3.120 -6.121) 15.856 0.789 ( 17.870 4.387 6.934) 19.663 0.855 ( 2.671 -1.576 13.755) 14.100 1.108 ( 6.853 6.631 -14.154) 17.066 1.185 ( 3.457 0.739 4.103) 5.416 1.256 ( 9.369 -0.103 -0.413) 9.378 1.270 ( 6.651 -0.897 1.115) 6.803 1.413 ( -1.414 -2.664 -0.474) 3.053 1.430 ( 4.009 -3.279 -1.662) 5.439 1.557 ( 0.506 1.929 0.684) 2.108 1.606 ( 7.155 0.668 0.297) 7.192 1.736 ( 2.515 -0.678 -2.682) 3.739 1.801 ( 3.212 2.455 1.090) 4.187 1.891 ( 6.899 -2.414 -5.474) 9.132 1.969 ( 9.599 1.887 4.571) 10.798 2.037 ( 7.772 0.378 1.677) 7.959 2.056 ( 7.044 -1.508 1.840) 7.435 2.197 ( 4.613 4.039 -1.313) 6.271 2.213 ( 3.546 3.779 0.384) 5.196 2.333 ( 0.820 -1.321 -7.661) 7.817 2.499 ( -0.596 -1.150 2.205) 2.557 2.603 ( 4.024 -1.085 1.587) 4.459 2.622 ( 3.170 -0.385 -2.365) 3.974 2.764 ( 3.891 1.436 -2.968) 5.100 2.866 ( -1.027 -0.089 12.965) 13.006 2.943 ( -0.240 -1.481 0.976) 1.790 3.026 ( 1.862 -0.389 -2.235) 2.935 3.153 ( 0.330 1.329 0.952) 1.668 3.261 ( 1.888 -3.703 0.348) 4.171 3.381 ( -1.790 -0.458 1.954) 2.690 3.476 ( -0.412 4.122 0.372) 4.160 3.555 ( 1.157 0.761 2.371) 2.746 3.567 ( 2.424 1.920 -1.570) 3.468 3.749 ( -2.410 1.061 -4.668) 5.360 3.847 ( -1.042 0.270 0.470) 1.175 3.992 ( -3.297 0.102 1.044) 3.459 4.056 ( 0.637 -2.955 0.293) 3.037 4.125 ( -3.024 3.758 -3.023) 5.693 4.198 ( -1.620 0.913 0.367) 1.896 4.264 ( -3.308 -1.568 -2.414) 4.385 4.358 ( -3.366 0.818 -1.866) 3.935 4.392 ( 1.299 -0.251 -0.361) 1.372 4.491 ( -1.257 1.734 0.885) 2.317 4.748 ( -4.782 -0.174 1.092) 4.908 4.793 ( -1.791 -1.810 -0.574) 2.610 4.833 ( -4.304 -0.869 -0.366) 4.406 4.879 ( -2.362 -0.944 0.387) 2.573 5.441 ( -2.210 -1.892 -0.043) 2.910 5.488 ( 0.285 -2.489 -0.936) 2.674 5.512 ( -1.525 0.194 1.260) 1.988 5.535 ( 0.569 -0.553 -0.942) 1.232 5.582 ( -3.172 1.542 1.278) 3.751 5.633 ( -0.952 1.426 0.928) 1.950 5.648 ( -0.436 0.190 0.723) 0.866 5.746 ( 3.003 -2.116 1.108) 3.837 5.950 ( -1.354 -0.027 -0.254) 1.378 5.986 ( -1.008 -0.515 0.333) 1.180 6.054 ( -1.238 1.856 -0.629) 2.318 6.126 ( 0.084 2.619 1.459) 2.999 9.683 ( 1.026 -0.898 -0.775) 1.568 9.721 ( 3.049 -1.248 0.936) 3.425 9.886 ( -1.682 2.856 -4.451) 5.549 9.978 ( -0.233 1.770 2.253) 2.875 10.006 ( 1.044 -0.195 -1.504) 1.842 10.167 ( 1.214 1.475 2.094) 2.835 10.500 ( -7.823 -8.788 0.487) 11.776 10.578 ( -2.651 -7.226 -4.137) 8.738 10.790 ( -2.046 0.630 -1.429) 2.574 10.836 ( -2.028 1.768 0.686) 2.776 10.920 ( 3.027 0.189 -0.080) 3.034 10.960 ( 3.943 -0.506 1.775) 4.354======================= Grid point 139 (64/76) =======================q-point: ( 0.22 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.669 ( 9.056 1.181 -8.156) 12.245 0.841 ( 8.281 2.373 -6.041) 10.521 1.000 ( 2.583 -1.813 10.916) 11.363 1.080 ( 9.272 1.963 -0.894) 9.519 1.165 ( 6.467 3.639 -3.401) 8.162 1.252 ( 0.677 2.322 1.714) 2.965 1.359 ( 3.198 -1.395 -0.479) 3.521 1.377 ( 3.075 -1.333 0.610) 3.406 1.416 ( 3.576 1.645 -1.212) 4.118 1.545 ( 1.026 3.266 0.662) 3.487 1.569 ( 9.129 -4.820 -2.489) 10.619 1.718 ( 4.809 -1.835 0.713) 5.197 1.843 ( 9.806 -0.316 -0.615) 9.830 1.950 ( 10.172 1.049 -0.114) 10.227 1.985 ( 10.957 0.295 -4.339) 11.789 2.117 ( 5.246 3.066 -2.664) 6.635 2.133 ( 3.689 -2.251 -6.138) 7.507 2.266 ( 10.457 -0.514 -0.154) 10.470 2.287 ( 15.498 -2.409 1.016) 15.717 2.354 ( 7.713 4.332 2.027) 9.076 2.470 ( 12.575 1.796 4.034) 13.327 2.541 ( 7.982 3.680 0.414) 8.799 2.673 ( 4.749 -1.993 -0.102) 5.151 2.709 ( 5.944 -2.882 0.021) 6.606 2.847 ( 4.781 -0.721 2.342) 5.373 2.910 ( -1.229 0.168 4.555) 4.721 2.956 ( 0.454 1.605 -0.605) 1.775 3.077 ( 6.099 0.324 3.623) 7.101 3.215 ( 2.444 2.275 2.753) 4.327 3.294 ( 4.154 -2.304 -1.626) 5.021 3.411 ( 1.328 -0.851 4.073) 4.367 3.459 ( -0.333 1.926 0.146) 1.960 3.573 ( 0.853 -1.398 -4.145) 4.457 3.620 ( 4.363 -0.946 0.894) 4.553 3.690 ( -0.969 0.087 -0.839) 1.285 3.809 ( -1.984 0.670 -1.683) 2.687 3.938 ( -4.067 2.501 1.602) 5.036 4.019 ( -3.821 4.256 -3.733) 6.830 4.073 ( -2.113 -2.693 2.206) 4.072 4.148 ( -2.899 -0.591 -1.063) 3.144 4.187 ( -2.683 -0.667 -3.340) 4.336 4.301 ( -0.962 1.826 -1.836) 2.762 4.410 ( -1.144 -0.633 1.064) 1.686 4.457 ( -2.098 -1.035 1.029) 2.555 4.650 ( -7.465 0.801 1.081) 7.586 4.712 ( -6.664 -0.006 -1.188) 6.769 4.753 ( -4.539 -3.416 0.364) 5.692 4.811 ( -5.293 -1.058 -0.525) 5.423 5.396 ( -2.491 -1.879 -0.604) 3.178 5.462 ( -1.931 -1.464 -1.393) 2.795 5.495 ( -1.547 0.405 1.116) 1.950 5.539 ( 0.590 -0.770 -0.261) 1.004 5.548 ( -2.544 0.309 1.633) 3.039 5.621 ( -1.749 1.581 1.650) 2.877 5.642 ( -0.533 0.202 0.337) 0.662 5.744 ( -1.891 -1.846 -2.094) 3.372 5.924 ( -2.010 0.329 0.417) 2.079 5.962 ( -1.656 -1.434 0.347) 2.218 6.032 ( -1.335 2.285 -0.581) 2.710 6.114 ( -3.398 3.858 2.262) 5.617 9.691 ( 0.620 -0.093 0.081) 0.632 9.792 ( 4.133 0.410 0.279) 4.163 9.842 ( 0.562 0.979 -2.569) 2.806 9.980 ( -0.013 -0.397 0.582) 0.705 10.070 ( 4.223 0.742 0.520) 4.319 10.163 ( -1.165 -0.244 -1.695) 2.072 10.382 ( -6.571 -6.251 2.372) 9.375 10.480 ( -3.644 -3.682 -4.336) 6.756 10.755 ( -1.164 0.801 -0.344) 1.454 10.807 ( -1.821 2.060 0.330) 2.769 10.967 ( 2.622 0.188 -0.213) 2.637 11.023 ( 1.961 -0.299 0.926) 2.189======================= Grid point 140 (65/76) =======================q-point: ( 0.33 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.776 ( 8.168 -0.166 -4.748) 9.449 0.911 ( 5.536 0.611 -2.251) 6.007 1.103 ( 0.034 -5.912 2.319) 6.350 1.127 ( -3.793 -1.357 1.313) 4.238 1.188 ( 4.531 4.551 -4.867) 8.058 1.261 ( -1.384 4.707 4.805) 6.867 1.395 ( -0.345 1.642 1.677) 2.372 1.427 ( 2.502 -0.523 -2.162) 3.347 1.480 ( 3.906 0.935 0.414) 4.038 1.528 ( -1.528 3.469 0.943) 3.906 1.707 ( 5.821 -6.099 -1.717) 8.604 1.791 ( 2.372 -3.010 -0.997) 3.960 1.983 ( 8.486 -0.178 -3.559) 9.204 2.050 ( 3.920 -0.784 0.178) 4.002 2.128 ( 4.298 0.955 -3.818) 5.828 2.202 ( 6.805 3.761 -4.131) 8.804 2.257 ( 11.294 3.969 0.275) 11.975 2.400 ( 8.315 0.807 1.257) 8.448 2.518 ( 10.321 -0.820 0.500) 10.366 2.582 ( 13.317 -0.805 1.387) 13.413 2.674 ( 7.030 -0.384 2.326) 7.415 2.726 ( 3.630 -3.184 -1.203) 4.976 2.761 ( 5.886 -1.453 4.426) 7.506 2.854 ( 7.355 1.324 3.064) 8.077 2.903 ( 1.793 -0.549 0.391) 1.916 2.962 ( 3.805 1.890 2.346) 4.853 3.048 ( 11.666 0.731 -0.270) 11.692 3.235 ( 7.226 -1.449 -0.636) 7.397 3.266 ( 0.622 5.299 5.060) 7.353 3.375 ( 7.152 -2.160 -3.131) 8.100 3.463 ( 3.212 0.790 0.378) 3.329 3.488 ( 2.638 3.079 -0.473) 4.082 3.589 ( 5.828 -4.664 -1.188) 7.559 3.694 ( 1.266 -1.151 0.990) 1.977 3.720 ( 4.353 -0.409 0.021) 4.372 3.800 ( 4.062 -1.226 0.593) 4.284 3.863 ( -6.183 0.353 1.984) 6.504 3.905 ( -5.182 3.631 -3.238) 7.108 4.026 ( -5.861 1.242 1.089) 6.090 4.108 ( -1.263 -2.989 1.117) 3.432 4.130 ( 0.737 1.698 -5.362) 5.672 4.251 ( -4.209 3.212 -1.477) 5.496 4.374 ( -3.740 -2.751 2.679) 5.360 4.435 ( -2.762 -0.492 -0.713) 2.894 4.516 ( -7.535 0.437 1.320) 7.662 4.562 ( -8.732 0.477 -1.180) 8.824 4.666 ( -5.553 -4.354 0.187) 7.058 4.695 ( -6.787 -1.265 -0.660) 6.936 5.351 ( -1.841 -1.889 -0.267) 2.651 5.412 ( -2.507 -1.056 -0.841) 2.847 5.475 ( -1.187 0.255 0.069) 1.217 5.514 ( -2.719 -0.201 1.477) 3.100 5.553 ( 0.928 -0.367 0.457) 1.098 5.600 ( -1.939 1.479 1.665) 2.953 5.635 ( -0.562 0.258 0.125) 0.631 5.681 ( -2.080 0.345 -3.435) 4.031 5.892 ( -1.655 0.073 0.100) 1.660 5.932 ( -2.040 -1.413 0.086) 2.483 5.997 ( -1.976 2.711 0.019) 3.355 6.053 ( -4.492 3.167 0.980) 5.583 9.721 ( 1.155 -0.273 3.062) 3.284 9.835 ( 0.888 2.291 -1.010) 2.656 9.866 ( 3.466 -0.819 -1.949) 4.060 9.971 ( -1.094 -2.422 -0.219) 2.667 10.109 ( 0.540 -4.309 -2.000) 4.781 10.167 ( 2.760 3.440 0.448) 4.433 10.303 ( -5.422 -4.015 4.162) 7.927 10.395 ( -2.199 -0.598 -3.779) 4.413 10.742 ( -0.355 0.827 0.489) 1.025 10.781 ( -1.053 1.276 -0.351) 1.691 11.007 ( 2.051 0.140 -0.156) 2.062 11.049 ( 0.622 0.014 0.129) 0.636======================= Grid point 141 (66/76) =======================q-point: ( 0.44 0.17 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.869 ( 5.530 -4.192 -0.128) 6.941 0.986 ( -6.177 -6.335 -2.867) 9.301 1.017 ( 5.889 0.070 1.222) 6.015 1.112 ( -3.094 0.607 -0.340) 3.172 1.230 ( 4.738 6.207 -5.593) 9.605 1.261 ( -3.974 5.363 6.048) 9.007 1.411 ( -0.114 -0.808 3.925) 4.009 1.440 ( 0.945 -3.196 -3.394) 4.757 1.510 ( 0.620 5.410 0.956) 5.528 1.528 ( -0.095 2.351 0.106) 2.355 1.759 ( 2.368 -6.252 -1.198) 6.792 1.787 ( -0.956 -4.972 -0.964) 5.154 2.095 ( 4.915 0.365 0.074) 4.929 2.116 ( 3.200 2.471 0.262) 4.052 2.143 ( 0.295 3.254 -0.645) 3.331 2.195 ( -1.420 2.656 -3.624) 4.713 2.458 ( 8.820 1.731 0.089) 8.988 2.528 ( 1.375 1.263 1.130) 2.183 2.652 ( 5.279 -2.631 0.371) 5.910 2.715 ( -0.276 -3.832 -0.433) 3.867 2.772 ( 3.884 -2.039 0.433) 4.408 2.786 ( 3.823 -0.534 2.680) 4.699 2.847 ( 0.382 -0.366 2.438) 2.495 2.883 ( -0.997 0.606 -1.140) 1.631 3.001 ( 5.502 2.173 2.764) 6.529 3.054 ( 3.515 0.271 0.224) 3.532 3.177 ( 1.847 2.566 -3.588) 4.782 3.235 ( -4.199 0.033 -1.477) 4.452 3.416 ( 12.077 -1.395 4.871) 13.096 3.496 ( 8.116 1.815 -2.112) 8.580 3.547 ( 5.509 -0.339 -0.461) 5.538 3.575 ( 2.764 4.910 0.630) 5.669 3.663 ( -5.780 -0.994 -2.597) 6.414 3.706 ( 0.358 -4.873 4.772) 6.829 3.760 ( 6.435 -0.390 -1.637) 6.651 3.774 ( -3.974 1.727 -0.043) 4.333 3.856 ( 2.083 1.685 -3.665) 4.540 3.890 ( -2.219 -4.813 0.650) 5.340 3.986 ( 4.669 0.795 5.438) 7.211 4.069 ( -2.167 -0.255 -0.875) 2.351 4.132 ( 0.663 2.571 -4.159) 4.934 4.148 ( -5.385 1.799 0.298) 5.686 4.296 ( -3.723 0.378 0.209) 3.748 4.343 ( -6.598 -0.469 1.709) 6.832 4.429 ( -2.538 -0.060 -2.312) 3.434 4.438 ( -3.812 0.380 0.397) 3.851 4.588 ( -0.666 -3.323 -3.699) 5.017 4.596 ( -5.152 -3.324 3.876) 7.254 5.337 ( 0.111 -1.924 0.812) 2.091 5.365 ( -1.867 -1.859 -1.039) 2.833 5.464 ( 0.359 0.596 -0.414) 0.809 5.481 ( -2.061 0.403 0.989) 2.321 5.576 ( 0.923 0.120 0.787) 1.219 5.589 ( -0.754 1.210 1.161) 1.839 5.622 ( -0.835 0.298 0.055) 0.888 5.628 ( -0.767 0.908 -2.663) 2.916 5.877 ( 0.052 0.190 0.060) 0.206 5.895 ( -1.843 -0.147 -0.104) 1.852 5.976 ( -0.300 1.898 0.175) 1.930 5.994 ( -2.402 2.036 0.200) 3.155 9.772 ( 1.157 0.042 4.013) 4.177 9.820 ( -0.831 1.456 -2.827) 3.287 9.904 ( 3.202 -1.471 -1.969) 4.037 9.945 ( -2.341 -3.064 0.634) 3.908 10.123 ( 2.201 -2.879 0.482) 3.656 10.176 ( -2.011 -0.348 -1.198) 2.367 10.288 ( -0.076 -0.287 4.334) 4.344 10.335 ( -1.363 0.837 -3.535) 3.880 10.748 ( 0.345 0.612 0.839) 1.094 10.763 ( -0.546 0.631 -0.744) 1.118 11.036 ( 1.265 0.085 -0.004) 1.268 11.051 ( -0.366 0.071 -0.091) 0.383======================= Grid point 146 (67/76) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 58Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.628 ( -1.022 6.349 -5.982) 8.783 0.628 ( 1.022 6.349 5.982) 8.783 0.782 ( -0.875 9.191 -6.454) 11.265 0.782 ( 0.875 9.191 6.454) 11.265 1.078 ( -0.227 -4.561 -2.133) 5.040 1.078 ( 0.227 -4.561 2.133) 5.040 1.136 ( -0.699 -6.560 -0.974) 6.669 1.136 ( 0.699 -6.560 0.974) 6.669 1.431 ( -0.455 2.082 -3.996) 4.529 1.431 ( 0.455 2.082 3.996) 4.529 1.540 ( 1.663 -0.720 -3.277) 3.745 1.540 ( -1.663 -0.720 3.277) 3.745 1.777 ( 1.225 0.904 -4.288) 4.550 1.777 ( -1.225 0.904 4.288) 4.550 1.842 ( -0.375 1.035 -4.719) 4.845 1.842 ( 0.375 1.035 4.719) 4.845 1.997 ( 0.247 3.433 -4.190) 5.422 1.997 ( -0.247 3.433 4.190) 5.422 2.223 ( -0.043 -3.568 -6.877) 7.748 2.223 ( 0.043 -3.568 6.877) 7.748 2.404 ( -0.282 4.554 -2.508) 5.207 2.404 ( 0.282 4.554 2.508) 5.207 2.601 ( 1.073 -0.014 -1.831) 2.122 2.601 ( -1.073 -0.014 1.831) 2.122 2.785 ( 0.274 -1.749 -6.148) 6.397 2.785 ( -0.274 -1.749 6.148) 6.397 2.925 ( -0.600 -2.133 -1.287) 2.563 2.925 ( 0.600 -2.133 1.287) 2.563 3.173 ( -0.159 -0.319 -0.286) 0.457 3.173 ( 0.159 -0.319 0.286) 0.457 3.489 ( -1.867 0.764 -3.700) 4.215 3.489 ( 1.867 0.764 3.700) 4.215 3.557 ( 0.041 0.105 -4.057) 4.058 3.557 ( -0.041 0.105 4.057) 4.058 3.842 ( -1.196 1.196 -3.135) 3.562 3.842 ( 1.196 1.196 3.135) 3.562 4.054 ( -0.096 3.920 -1.194) 4.099 4.054 ( 0.096 3.920 1.194) 4.099 4.229 ( -0.721 -0.680 -0.792) 1.269 4.229 ( 0.721 -0.680 0.792) 1.269 4.299 ( -1.321 1.131 -1.559) 2.336 4.299 ( 1.321 1.131 1.559) 2.336 4.468 ( -0.938 -2.509 -2.773) 3.856 4.468 ( 0.938 -2.509 2.773) 3.856 4.771 ( 0.409 -1.277 -0.606) 1.471 4.771 ( -0.409 -1.277 0.606) 1.471 4.879 ( -0.407 -0.118 -0.522) 0.672 4.879 ( 0.407 -0.118 0.522) 0.672 5.441 ( 0.791 -1.248 -0.457) 1.547 5.441 ( -0.791 -1.248 0.457) 1.547 5.519 ( 0.735 -0.365 -0.839) 1.174 5.519 ( -0.735 -0.365 0.839) 1.174 5.652 ( 0.146 0.394 -1.187) 1.259 5.652 ( -0.146 0.394 1.187) 1.259 5.666 ( -2.243 0.201 -0.980) 2.456 5.666 ( 2.243 0.201 0.980) 2.456 5.994 ( -0.873 1.573 -1.289) 2.213 5.994 ( 0.873 1.573 1.289) 2.213 6.097 ( 0.062 -0.709 -3.451) 3.524 6.097 ( -0.062 -0.709 3.451) 3.524 9.667 ( 0.166 -0.271 -0.797) 0.857 9.667 ( -0.166 -0.271 0.797) 0.857 9.947 ( -0.988 -0.039 -1.433) 1.741 9.947 ( 0.988 -0.039 1.433) 1.741 10.143 ( -3.696 4.156 -3.202) 6.418 10.143 ( 3.696 4.156 3.202) 6.418 10.420 ( 1.162 -9.348 -4.979) 10.655 10.420 ( -1.162 -9.348 4.979) 10.655 10.848 ( -1.027 0.094 -0.875) 1.353 10.848 ( 1.027 0.094 0.875) 1.353 10.902 ( -0.467 0.721 -0.726) 1.125 10.902 ( 0.467 0.721 0.726) 1.125======================= Grid point 148 (68/76) =======================q-point: ( 0.11 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.691 ( 5.857 6.802 -2.407) 9.293 0.774 ( 8.758 8.110 -4.871) 12.892 0.854 ( 8.728 3.877 7.772) 12.313 0.915 ( 11.342 6.251 3.258) 13.354 1.124 ( 5.884 -5.442 -2.985) 8.553 1.154 ( 2.723 -7.109 1.327) 7.727 1.190 ( 7.421 -2.629 1.049) 7.943 1.229 ( 11.308 -5.725 -0.111) 12.675 1.386 ( 1.617 4.726 -7.906) 9.352 1.467 ( 2.059 3.587 -0.089) 4.137 1.573 ( 2.216 -1.182 0.862) 2.655 1.592 ( 5.224 -2.091 -0.029) 5.627 1.761 ( 2.709 3.934 -5.017) 6.927 1.840 ( 6.490 1.309 -0.215) 6.624 1.864 ( 7.693 -0.338 -5.352) 9.378 1.969 ( 8.198 -2.082 3.728) 9.243 2.020 ( 4.829 -0.630 0.309) 4.880 2.108 ( 7.976 5.608 1.347) 9.843 2.155 ( 1.191 -5.458 -8.094) 9.834 2.289 ( 3.863 1.777 3.049) 5.232 2.425 ( 2.245 6.237 3.796) 7.639 2.447 ( 1.973 1.290 2.558) 3.479 2.604 ( 1.353 -1.073 0.798) 1.902 2.632 ( 3.258 0.917 -1.537) 3.717 2.779 ( 3.472 -0.029 -2.948) 4.554 2.863 ( 1.963 -1.744 7.960) 8.382 2.906 ( -1.104 -0.963 2.122) 2.579 2.977 ( 3.644 -3.207 0.566) 4.887 3.178 ( 0.780 0.883 1.393) 1.825 3.196 ( 2.145 -2.459 -0.144) 3.266 3.405 ( -3.795 2.545 -2.455) 5.187 3.517 ( -1.500 -1.941 0.946) 2.629 3.538 ( 0.901 0.055 0.629) 1.100 3.578 ( -0.504 -2.673 -1.191) 2.969 3.782 ( -2.225 3.870 -0.741) 4.525 3.876 ( 0.386 1.972 -0.677) 2.120 4.034 ( -0.991 2.621 0.508) 2.848 4.050 ( -2.411 3.727 1.346) 4.638 4.185 ( -2.430 -2.141 -2.561) 4.129 4.215 ( -1.838 3.024 -1.690) 3.921 4.253 ( -2.637 1.694 -1.332) 3.406 4.329 ( 0.148 -1.098 1.515) 1.877 4.395 ( -2.407 -1.212 -2.115) 3.425 4.478 ( -1.889 -3.273 -0.240) 3.786 4.741 ( -3.112 -0.560 0.122) 3.164 4.755 ( -1.846 -1.739 -1.167) 2.792 4.830 ( -4.432 0.406 -0.044) 4.451 4.859 ( -3.150 -1.025 0.361) 3.332 5.417 ( -1.536 -0.562 -0.599) 1.742 5.445 ( 0.218 -1.898 -1.475) 2.413 5.512 ( -1.047 -0.047 1.331) 1.694 5.523 ( 0.223 -0.639 -0.589) 0.897 5.614 ( -2.732 1.462 0.517) 3.141 5.644 ( -0.641 -0.170 0.128) 0.676 5.660 ( -0.347 1.118 0.702) 1.365 5.709 ( 1.241 -1.706 0.555) 2.182 5.962 ( -1.284 1.038 -1.047) 1.955 5.992 ( -1.918 0.505 0.195) 1.993 6.078 ( 0.043 1.294 0.311) 1.332 6.143 ( 0.462 -0.769 3.386) 3.503 9.676 ( 0.999 -0.065 -0.127) 1.009 9.691 ( 1.893 -1.308 1.469) 2.730 9.928 ( 0.482 1.453 -3.021) 3.387 9.988 ( 2.679 -1.521 -0.460) 3.115 10.051 ( -4.094 5.689 1.361) 7.140 10.213 ( 0.904 3.521 1.030) 3.778 10.328 ( -5.075 -8.947 -1.210) 10.357 10.433 ( -0.576 -7.858 -1.842) 8.091 10.809 ( -1.764 1.328 -0.728) 2.325 10.849 ( -1.103 -0.246 0.221) 1.151 10.928 ( 2.571 0.636 0.276) 2.663 10.950 ( 3.135 -0.487 1.306) 3.430======================= Grid point 149 (69/76) =======================q-point: ( 0.22 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.749 ( 3.879 7.279 -0.962) 8.304 0.888 ( 4.871 2.538 -2.587) 6.071 0.992 ( 3.443 1.101 3.577) 5.085 1.116 ( 2.045 -0.418 4.562) 5.016 1.188 ( 3.287 -1.990 -0.382) 3.862 1.209 ( 5.116 -3.796 -2.897) 6.998 1.325 ( 5.655 -2.661 -2.552) 6.751 1.421 ( 9.372 5.058 -3.256) 11.136 1.444 ( 10.289 -3.428 -1.671) 10.973 1.500 ( 2.405 4.171 -3.143) 5.750 1.606 ( 1.845 1.682 -0.397) 2.528 1.679 ( 4.161 -2.433 -0.115) 4.822 1.842 ( 10.167 0.261 -3.797) 10.856 1.946 ( 4.720 -1.259 -2.723) 5.593 2.026 ( 12.808 1.123 -6.866) 14.575 2.059 ( 9.828 0.012 0.034) 9.828 2.202 ( 12.234 -2.124 1.323) 12.488 2.222 ( 4.773 -2.467 4.545) 7.037 2.286 ( 11.347 6.026 0.292) 12.851 2.421 ( 8.587 1.927 0.444) 8.812 2.530 ( 5.246 3.198 6.100) 8.657 2.545 ( 8.369 -0.190 0.432) 8.382 2.660 ( 3.181 -0.882 1.919) 3.819 2.701 ( 7.402 0.603 -3.302) 8.127 2.861 ( 6.711 2.651 0.010) 7.216 2.912 ( 0.453 0.580 3.425) 3.503 2.965 ( 3.075 -0.672 2.165) 3.820 3.064 ( 6.523 -2.589 -0.237) 7.023 3.229 ( 2.889 -0.576 2.862) 4.107 3.245 ( 4.012 -1.870 -1.077) 4.555 3.372 ( 1.211 -1.414 3.650) 4.097 3.496 ( -1.278 -0.192 -1.909) 2.306 3.518 ( -2.209 -3.639 -1.325) 4.458 3.578 ( 1.606 -2.756 4.132) 5.220 3.763 ( 0.622 6.615 -1.364) 6.783 3.841 ( -1.435 2.507 -4.183) 5.084 3.986 ( -6.268 1.978 2.026) 6.878 4.040 ( -0.304 -0.589 1.777) 1.896 4.104 ( -4.124 2.592 -2.061) 5.289 4.142 ( -5.121 0.461 -0.883) 5.217 4.201 ( -0.307 2.994 -3.849) 4.886 4.313 ( -1.147 0.084 -0.209) 1.169 4.388 ( 0.345 -2.036 0.564) 2.140 4.413 ( -4.210 -3.762 -0.630) 5.681 4.659 ( -6.393 0.062 -0.191) 6.396 4.688 ( -4.228 -2.429 -1.907) 5.236 4.727 ( -7.157 0.955 0.110) 7.221 4.783 ( -5.518 -1.744 -0.088) 5.788 5.376 ( -2.103 -0.191 -1.448) 2.561 5.422 ( -1.220 -2.195 -1.979) 3.197 5.503 ( -1.397 0.176 1.435) 2.010 5.518 ( -0.472 -0.949 0.136) 1.068 5.576 ( -2.140 2.007 0.865) 3.059 5.635 ( -0.835 -0.748 0.781) 1.367 5.651 ( -1.201 1.462 0.497) 1.956 5.710 ( -0.788 -1.703 -0.842) 2.056 5.932 ( -1.444 0.311 -0.771) 1.667 5.951 ( -2.326 -0.003 0.063) 2.327 6.077 ( -1.322 2.556 1.040) 3.060 6.149 ( -3.181 -0.063 3.360) 4.627 9.694 ( 1.080 0.417 0.199) 1.175 9.751 ( 3.370 -2.868 1.232) 4.593 9.898 ( -0.080 3.218 -3.830) 5.003 10.010 ( 0.565 1.708 1.325) 2.234 10.042 ( -0.859 -1.152 -1.027) 1.766 10.183 ( 0.030 1.042 -2.175) 2.412 10.277 ( -3.819 -3.762 4.642) 7.092 10.394 ( -0.767 -5.161 -3.262) 6.153 10.778 ( -1.262 1.670 -0.086) 2.095 10.826 ( -1.738 -0.053 0.202) 1.750 10.974 ( 2.452 0.578 0.095) 2.521 11.010 ( 2.225 -1.026 1.010) 2.650======================= Grid point 150 (70/76) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.801 ( 2.010 2.415 -0.674) 3.213 0.923 ( 0.895 -1.253 0.092) 1.542 1.003 ( -1.883 -0.840 -0.663) 2.166 1.135 ( -0.187 0.665 2.754) 2.839 1.259 ( 1.911 -0.302 3.123) 3.674 1.278 ( 6.076 0.206 -5.137) 7.959 1.370 ( 2.353 -2.641 -1.644) 3.901 1.464 ( -1.858 4.070 -2.907) 5.336 1.525 ( 3.818 -2.869 -2.445) 5.365 1.552 ( 3.312 1.416 -0.291) 3.614 1.641 ( 1.842 1.524 -0.914) 2.559 1.737 ( 2.827 -1.993 -1.830) 3.913 1.972 ( 9.355 -0.006 -4.381) 10.330 2.042 ( 7.172 -1.282 -0.133) 7.287 2.163 ( 4.886 3.150 2.716) 6.416 2.272 ( 3.532 2.344 -2.230) 4.790 2.335 ( 12.438 2.996 -0.215) 12.796 2.404 ( 9.178 0.055 3.845) 9.951 2.505 ( 11.726 0.511 -0.887) 11.771 2.565 ( 5.740 0.732 3.032) 6.532 2.648 ( 3.075 -1.883 2.543) 4.413 2.704 ( 4.942 -1.125 0.790) 5.130 2.760 ( 6.935 1.080 1.684) 7.218 2.837 ( 10.066 -3.118 -1.489) 10.643 2.924 ( 0.179 3.696 1.510) 3.997 3.008 ( 3.746 1.943 1.260) 4.404 3.056 ( 12.461 0.250 -3.264) 12.884 3.180 ( 6.191 -5.472 -2.088) 8.522 3.326 ( 5.858 -1.216 0.676) 6.021 3.327 ( 4.038 0.247 0.216) 4.052 3.447 ( 2.084 -1.348 -0.068) 2.483 3.488 ( 5.833 -2.613 5.179) 8.226 3.565 ( 5.184 2.728 5.322) 7.915 3.687 ( 6.901 -2.454 4.210) 8.448 3.761 ( 0.583 3.356 -6.996) 7.781 3.795 ( 1.554 3.979 -1.886) 4.670 3.884 ( -5.839 1.416 2.192) 6.396 3.953 ( -7.733 0.502 -2.230) 8.064 4.012 ( -7.814 -2.213 -0.554) 8.140 4.090 ( -1.117 0.801 1.937) 2.375 4.178 ( 1.443 3.108 -4.650) 5.776 4.294 ( -2.892 2.001 -0.726) 3.591 4.319 ( -3.355 -3.307 1.898) 5.079 4.403 ( -0.806 -2.659 -0.435) 2.812 4.521 ( -8.035 0.131 -0.566) 8.056 4.581 ( -7.175 -3.253 -0.249) 7.882 4.586 ( -7.560 1.290 -0.882) 7.720 4.667 ( -7.007 -1.824 -0.997) 7.309 5.329 ( -1.728 -0.395 -1.037) 2.054 5.374 ( -2.145 -2.343 -2.022) 3.766 5.487 ( -1.390 0.514 0.920) 1.744 5.505 ( -1.472 -0.582 0.782) 1.766 5.563 ( -0.156 1.472 1.089) 1.837 5.625 ( -1.018 -0.244 0.762) 1.295 5.631 ( -1.265 0.712 0.402) 1.506 5.677 ( -1.535 -0.786 -1.668) 2.399 5.901 ( -1.030 0.660 -0.712) 1.415 5.920 ( -1.424 -0.045 0.433) 1.489 6.046 ( -2.921 2.455 0.864) 3.912 6.093 ( -5.002 0.843 1.568) 5.310 9.723 ( 1.687 0.765 1.303) 2.265 9.816 ( 3.198 -3.651 -0.119) 4.855 9.877 ( 0.080 1.812 -1.894) 2.622 9.965 ( -3.518 -0.670 -3.245) 4.833 10.042 ( 1.597 0.018 0.866) 1.817 10.219 ( -2.411 -4.412 6.038) 7.857 10.237 ( 0.326 3.135 -0.829) 3.259 10.363 ( 0.090 -2.587 -3.206) 4.121 10.763 ( -0.645 1.314 0.332) 1.501 10.795 ( -1.526 0.107 -0.253) 1.550 11.012 ( 1.837 0.471 0.004) 1.896 11.042 ( 0.813 -0.735 0.409) 1.170======================= Grid point 151 (71/76) =======================q-point: ( 0.44 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 110Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.818 ( 1.680 -1.613 -0.533) 2.389 0.873 ( -4.565 -5.092 0.008) 6.839 1.049 ( 4.665 3.541 1.966) 6.178 1.129 ( -2.186 1.297 -0.803) 2.666 1.303 ( 0.612 -0.438 2.745) 2.846 1.320 ( 2.718 0.841 -4.432) 5.266 1.386 ( 0.643 -1.003 -0.068) 1.193 1.409 ( -1.738 1.561 -1.122) 2.592 1.551 ( 1.320 -3.404 -0.132) 3.653 1.573 ( -0.423 -1.277 -0.792) 1.561 1.680 ( 2.880 1.818 0.974) 3.542 1.733 ( -1.248 0.733 -1.909) 2.396 2.109 ( 7.331 1.192 0.165) 7.429 2.148 ( 4.418 0.539 -0.355) 4.465 2.209 ( -1.054 3.365 1.670) 3.902 2.243 ( -3.039 1.987 -2.148) 4.219 2.514 ( 7.758 4.113 -1.207) 8.864 2.566 ( 2.515 2.558 2.438) 4.337 2.620 ( 3.115 -0.695 0.246) 3.201 2.651 ( 1.080 -2.731 0.570) 2.992 2.717 ( 3.253 -3.313 2.326) 5.193 2.747 ( 1.000 -3.054 0.455) 3.245 2.845 ( 0.984 0.303 0.569) 1.176 2.879 ( -1.469 -0.757 -1.973) 2.574 3.041 ( 9.569 0.287 0.439) 9.583 3.091 ( 4.598 2.815 2.096) 5.785 3.180 ( -1.418 -3.106 -1.047) 3.571 3.205 ( -1.175 -0.943 -4.512) 4.757 3.405 ( 9.058 0.601 3.353) 9.678 3.481 ( 11.687 -2.759 0.330) 12.012 3.570 ( 6.051 1.932 1.445) 6.514 3.618 ( -2.548 -0.958 -2.629) 3.784 3.655 ( 1.062 0.163 1.659) 1.977 3.731 ( -1.746 7.474 2.126) 7.965 3.766 ( -4.176 1.224 -1.337) 4.553 3.806 ( 0.089 -0.199 -1.471) 1.488 3.818 ( 0.591 -1.221 3.113) 3.396 3.880 ( 2.078 1.169 -3.249) 4.030 3.963 ( 5.466 -2.900 4.134) 7.441 4.047 ( -3.275 -2.865 -0.544) 4.385 4.169 ( 1.265 2.618 -3.583) 4.615 4.207 ( -5.493 3.903 -0.745) 6.779 4.286 ( -2.358 -1.611 0.358) 2.878 4.331 ( -6.240 -1.149 0.972) 6.419 4.425 ( -1.964 -0.494 -0.084) 2.027 4.450 ( -5.188 0.646 0.928) 5.310 4.507 ( -0.178 -3.715 -2.400) 4.427 4.543 ( -5.495 -2.508 0.058) 6.041 5.308 ( -0.234 -1.009 0.335) 1.088 5.326 ( -1.348 -1.876 -1.474) 2.740 5.476 ( -0.167 0.534 0.231) 0.606 5.485 ( -1.207 0.087 0.487) 1.304 5.582 ( 1.084 0.607 1.052) 1.628 5.610 ( -1.274 0.766 -0.132) 1.492 5.621 ( -0.322 -0.298 1.083) 1.169 5.638 ( -0.993 0.055 -1.775) 2.035 5.892 ( 0.543 1.195 -0.470) 1.394 5.905 ( -1.042 0.839 0.490) 1.425 6.007 ( -1.243 1.367 0.281) 1.869 6.024 ( -3.046 0.936 0.269) 3.198 9.775 ( 2.340 0.404 2.530) 3.470 9.838 ( -1.562 -1.137 -2.906) 3.490 9.865 ( 1.945 -0.930 -0.717) 2.272 9.900 ( -2.101 -1.616 -0.457) 2.690 10.090 ( 2.823 -0.099 1.388) 3.147 10.158 ( -4.322 -1.720 0.493) 4.678 10.292 ( 1.823 0.722 2.602) 3.259 10.335 ( -0.530 -0.760 -3.055) 3.192 10.761 ( 0.112 0.690 0.421) 0.816 10.772 ( -0.740 0.248 -0.429) 0.890 11.038 ( 1.055 0.157 0.002) 1.066 11.049 ( -0.203 -0.276 0.070) 0.350======================= Grid point 156 (72/76) =======================q-point: ( 0.00 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 38Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.707 ( -0.000 0.000 0.000) 0.000 0.707 ( 0.000 -0.000 0.000) 0.000 0.977 ( -0.000 -0.000 0.000) 0.000 0.977 ( -0.000 0.000 0.000) 0.000 0.986 ( -0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 -0.000) 0.000 1.000 ( -0.000 -0.000 -0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.453 ( 0.000 0.000 -0.000) 0.000 1.453 ( -0.000 0.000 0.000) 0.000 1.527 ( -0.000 0.000 0.000) 0.000 1.527 ( -0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 -0.000) 0.000 1.780 ( -0.000 0.000 0.000) 0.000 1.866 ( -0.000 0.000 0.000) 0.000 1.866 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 -0.000 -0.000) 0.000 2.098 ( 0.000 -0.000 0.000) 0.000 2.105 ( -0.000 0.000 -0.000) 0.000 2.105 ( -0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 -0.000) 0.000 2.489 ( -0.000 0.000 0.000) 0.000 2.594 ( -0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.738 ( -0.000 0.000 0.000) 0.000 2.738 ( 0.000 0.000 0.000) 0.000 2.918 ( 0.000 0.000 0.000) 0.000 2.918 ( -0.000 0.000 0.000) 0.000 3.175 ( 0.000 0.000 0.000) 0.000 3.175 ( -0.000 0.000 0.000) 0.000 3.469 ( -0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.574 ( -0.000 0.000 0.000) 0.000 3.574 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.855 ( -0.000 0.000 0.000) 0.000 4.142 ( -0.000 -0.000 -0.000) 0.000 4.142 ( -0.000 0.000 -0.000) 0.000 4.160 ( 0.000 -0.000 0.000) 0.000 4.160 ( -0.000 0.000 0.000) 0.000 4.375 ( -0.000 -0.000 -0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 -0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.758 ( 0.000 0.000 0.000) 0.000 4.758 ( -0.000 0.000 0.000) 0.000 4.879 ( -0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 5.429 ( -0.000 0.000 -0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.515 ( -0.000 0.000 0.000) 0.000 5.515 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 0.000) 0.000 5.666 ( -0.000 0.000 -0.000) 0.000 5.666 ( -0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 -0.000) 0.000 6.015 ( 0.000 0.000 0.000) 0.000 6.085 ( -0.000 0.000 -0.000) 0.000 6.085 ( -0.000 0.000 0.000) 0.000 9.666 ( -0.000 0.000 0.000) 0.000 9.666 ( -0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 9.944 ( 0.000 0.000 0.000) 0.000 10.217 ( -0.000 0.000 0.000) 0.000 10.217 ( -0.000 0.000 0.000) 0.000 10.297 ( 0.000 0.000 -0.000) 0.000 10.297 ( 0.000 0.000 0.000) 0.000 10.849 ( -0.000 0.000 -0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 10.909 ( -0.000 0.000 -0.000) 0.000 10.909 ( -0.000 0.000 0.000) 0.000======================= Grid point 160 (73/76) =======================q-point: ( 0.11 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.827 ( 8.324 -5.561 -0.428) 10.020 0.827 ( 8.324 5.561 -0.428) 10.020 0.982 ( 2.765 -3.964 0.895) 4.916 0.982 ( 2.765 3.964 0.895) 4.916 1.032 ( 5.042 -0.562 0.011) 5.073 1.032 ( 5.042 0.562 0.011) 5.073 1.140 ( 12.287 -3.281 0.977) 12.755 1.140 ( 12.287 3.281 0.977) 12.755 1.496 ( 4.027 -4.583 -1.057) 6.192 1.496 ( 4.027 4.583 -1.057) 6.192 1.542 ( 3.711 -2.404 -2.814) 5.242 1.542 ( 3.711 2.404 -2.814) 5.242 1.834 ( 6.174 -2.132 -2.418) 6.965 1.834 ( 6.174 2.132 -2.418) 6.965 1.900 ( 5.531 -4.260 -5.124) 8.660 1.900 ( 5.531 4.260 -5.124) 8.660 2.055 ( 2.592 -3.963 0.000) 4.735 2.055 ( 2.592 3.963 0.000) 4.735 2.227 ( 6.596 -6.009 4.080) 9.811 2.227 ( 6.596 6.009 4.080) 9.811 2.502 ( 1.449 -3.070 0.404) 3.419 2.502 ( 1.449 3.070 0.404) 3.419 2.611 ( 1.742 -3.196 0.735) 3.713 2.611 ( 1.742 3.196 0.735) 3.713 2.793 ( 4.919 -3.327 2.362) 6.390 2.793 ( 4.919 3.327 2.362) 6.390 2.932 ( 0.634 -2.415 2.122) 3.277 2.932 ( 0.634 2.415 2.122) 3.277 3.181 ( 0.619 -0.460 0.733) 1.064 3.181 ( 0.619 0.460 0.733) 1.064 3.458 ( -0.849 -3.485 -2.222) 4.220 3.458 ( -0.849 3.485 -2.222) 4.220 3.538 ( -2.296 -0.882 -0.521) 2.514 3.538 ( -2.296 0.882 -0.521) 2.514 3.863 ( -0.177 -3.422 1.408) 3.705 3.863 ( -0.177 3.422 1.408) 3.705 4.098 ( -2.806 -3.419 -2.160) 4.923 4.098 ( -2.806 3.419 -2.160) 4.923 4.167 ( -1.158 -4.465 1.519) 4.856 4.167 ( -1.158 4.465 1.519) 4.856 4.336 ( -1.917 -3.608 -1.774) 4.454 4.336 ( -1.917 3.608 -1.774) 4.454 4.387 ( -1.164 -5.205 -0.980) 5.423 4.387 ( -1.164 5.205 -0.980) 5.423 4.736 ( -2.461 -0.271 -0.428) 2.512 4.736 ( -2.461 0.271 -0.428) 2.512 4.842 ( -3.973 -0.824 0.157) 4.060 4.842 ( -3.973 0.824 0.157) 4.060 5.420 ( -0.586 -0.784 -1.120) 1.487 5.420 ( -0.586 0.784 -1.120) 1.487 5.514 ( -0.387 -0.270 0.315) 0.567 5.514 ( -0.387 0.270 0.315) 0.567 5.635 ( -1.602 -0.780 0.337) 1.814 5.635 ( -1.602 0.780 0.337) 1.814 5.682 ( 0.332 -1.276 0.620) 1.457 5.682 ( 0.332 1.276 0.620) 1.457 5.985 ( -1.917 -1.161 -1.132) 2.511 5.985 ( -1.917 1.161 -1.132) 2.511 6.112 ( 0.725 -2.122 2.388) 3.276 6.112 ( 0.725 2.122 2.388) 3.276 9.677 ( 0.930 -0.285 0.842) 1.286 9.677 ( 0.930 0.285 0.842) 1.286 9.955 ( 1.717 -1.714 -1.558) 2.883 9.955 ( 1.717 1.714 -1.558) 2.883 10.175 ( -3.810 -7.438 0.175) 8.359 10.175 ( -3.810 7.438 0.175) 8.359 10.302 ( 0.340 -6.009 -0.357) 6.029 10.302 ( 0.340 6.009 -0.357) 6.029 10.834 ( -1.207 -1.219 -0.146) 1.722 10.834 ( -1.207 1.219 -0.146) 1.722 10.940 ( 2.478 -0.640 0.697) 2.652 10.940 ( 2.478 0.640 0.697) 2.652======================= Grid point 162 (74/76) =======================q-point: ( 0.22 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.889 ( 0.034 -4.845 -0.241) 4.851 0.889 ( 0.034 4.845 -0.241) 4.851 1.040 ( 2.119 -4.893 1.037) 5.432 1.040 ( 2.119 4.893 1.037) 5.432 1.154 ( 6.754 -2.410 1.504) 7.327 1.154 ( 6.754 2.410 1.504) 7.327 1.354 ( 9.679 -4.578 -4.157) 11.486 1.354 ( 9.679 4.578 -4.157) 11.486 1.530 ( 3.966 -4.023 -3.807) 6.812 1.530 ( 3.966 4.023 -3.807) 6.812 1.630 ( 5.087 -2.952 -0.420) 5.896 1.630 ( 5.087 2.952 -0.420) 5.896 1.880 ( 6.863 -4.066 -6.652) 10.386 1.880 ( 6.863 4.066 -6.652) 10.386 2.064 ( 12.926 -2.580 0.967) 13.217 2.064 ( 12.926 2.580 0.967) 13.217 2.174 ( 7.835 -1.976 3.101) 8.655 2.174 ( 7.835 1.976 3.101) 8.655 2.405 ( 10.187 -4.102 1.949) 11.153 2.405 ( 10.187 4.102 1.949) 11.153 2.555 ( 3.913 -2.541 1.214) 4.821 2.555 ( 3.913 2.541 1.214) 4.821 2.675 ( 5.455 -3.007 -0.130) 6.230 2.675 ( 5.455 3.007 -0.130) 6.230 2.917 ( 6.547 -2.912 -0.147) 7.167 2.917 ( 6.547 2.912 -0.147) 7.167 2.981 ( 3.121 -5.204 2.903) 6.727 2.981 ( 3.121 5.204 2.903) 6.727 3.226 ( 3.954 -0.517 1.243) 4.177 3.226 ( 3.954 0.517 1.243) 4.177 3.401 ( -1.598 -4.651 -1.943) 5.288 3.401 ( -1.598 4.651 -1.943) 5.288 3.536 ( 0.732 -1.844 3.431) 3.964 3.536 ( 0.732 1.844 3.431) 3.964 3.857 ( -0.433 -2.268 -1.888) 2.983 3.857 ( -0.433 2.268 -1.888) 2.983 4.015 ( -5.340 -1.898 -0.280) 5.674 4.015 ( -5.340 1.898 -0.280) 5.674 4.138 ( -3.141 -1.345 0.315) 3.432 4.138 ( -3.141 1.345 0.315) 3.432 4.292 ( -1.482 -4.580 -2.596) 5.470 4.292 ( -1.482 4.580 -2.596) 5.470 4.353 ( -1.105 -0.960 -0.288) 1.492 4.353 ( -1.105 0.960 -0.288) 1.492 4.661 ( -5.507 -0.525 -1.050) 5.631 4.661 ( -5.507 0.525 -1.050) 5.631 4.752 ( -6.287 -1.531 0.168) 6.473 4.752 ( -6.287 1.531 0.168) 6.473 5.388 ( -1.625 -1.356 -1.942) 2.873 5.388 ( -1.625 1.356 -1.942) 2.873 5.507 ( -0.872 -0.347 0.680) 1.159 5.507 ( -0.872 0.347 0.680) 1.159 5.611 ( -1.595 -1.676 0.970) 2.509 5.611 ( -1.595 1.676 0.970) 2.509 5.680 ( -0.843 -1.598 -0.045) 1.807 5.680 ( -0.843 1.598 -0.045) 1.807 5.943 ( -1.751 -0.798 -0.856) 2.106 5.943 ( -1.751 0.798 -0.856) 2.106 6.124 ( -2.007 -2.265 2.616) 4.000 6.124 ( -2.007 2.265 2.616) 4.000 9.710 ( 1.861 -1.461 0.968) 2.556 9.710 ( 1.861 1.461 0.968) 2.556 9.957 ( 0.860 -3.484 -4.619) 5.850 9.957 ( 0.860 3.484 -4.619) 5.850 10.124 ( -3.313 -5.677 4.039) 7.714 10.124 ( -3.313 5.677 4.039) 7.714 10.301 ( 0.602 -4.409 -1.426) 4.673 10.301 ( 0.602 4.409 -1.426) 4.673 10.810 ( -1.470 -1.476 0.086) 2.085 10.810 ( -1.470 1.476 0.086) 2.085 10.990 ( 2.301 -1.067 0.576) 2.600 10.990 ( 2.301 1.067 0.576) 2.600======================= Grid point 164 (75/76) =======================q-point: ( 0.33 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.857 ( -3.022 -3.772 0.271) 4.841 0.857 ( -3.022 3.772 0.271) 4.841 1.081 ( 1.820 -6.258 1.619) 6.716 1.081 ( 1.820 6.258 1.619) 6.716 1.258 ( 3.740 -3.317 0.098) 5.000 1.258 ( 3.740 3.317 0.098) 5.000 1.403 ( 3.413 -5.858 -5.977) 9.039 1.403 ( 3.413 5.858 -5.977) 9.039 1.548 ( -0.097 -3.035 -2.413) 3.879 1.548 ( -0.097 3.035 -2.413) 3.879 1.699 ( 3.576 -3.126 -0.156) 4.752 1.699 ( 3.576 3.126 -0.156) 4.752 1.998 ( 9.464 -2.632 -2.563) 10.152 1.998 ( 9.464 2.632 -2.563) 10.152 2.240 ( 2.342 -4.352 5.195) 7.170 2.240 ( 2.342 4.352 5.195) 7.170 2.382 ( 14.476 -2.376 -1.636) 14.761 2.382 ( 14.476 2.376 -1.636) 14.761 2.573 ( 5.915 -2.432 1.815) 6.648 2.573 ( 5.915 2.432 1.815) 6.648 2.642 ( 3.332 -3.584 2.227) 5.376 2.642 ( 3.332 3.584 2.227) 5.376 2.787 ( 7.337 -1.812 -1.093) 7.636 2.787 ( 7.337 1.812 -1.093) 7.636 3.005 ( 1.128 -3.453 2.671) 4.509 3.005 ( 1.128 3.453 2.671) 4.509 3.075 ( 10.333 -3.292 -5.493) 12.156 3.075 ( 10.333 3.292 -5.493) 12.156 3.320 ( 5.218 -0.273 -0.377) 5.239 3.320 ( 5.218 0.273 -0.377) 5.239 3.445 ( 5.655 -1.500 4.221) 7.214 3.445 ( 5.655 1.500 4.221) 7.214 3.633 ( 6.612 -3.366 6.000) 9.542 3.633 ( 6.612 3.366 6.000) 9.542 3.818 ( -0.997 -2.757 -5.232) 5.998 3.818 ( -0.997 2.757 -5.232) 5.998 3.918 ( -5.689 -2.168 1.794) 6.347 3.918 ( -5.689 2.168 1.794) 6.347 4.053 ( -5.926 -4.378 -1.609) 7.541 4.053 ( -5.926 4.378 -1.609) 7.541 4.248 ( -0.883 -4.097 -1.861) 4.586 4.248 ( -0.883 4.097 -1.861) 4.586 4.345 ( -0.778 -3.282 0.319) 3.388 4.345 ( -0.778 3.282 0.319) 3.388 4.532 ( -7.481 -1.355 -1.163) 7.691 4.532 ( -7.481 1.355 -1.163) 7.691 4.628 ( -7.724 -2.321 -0.261) 8.069 4.628 ( -7.724 2.321 -0.261) 8.069 5.338 ( -1.886 -1.298 -1.859) 2.949 5.338 ( -1.886 1.298 -1.859) 2.949 5.495 ( -1.128 -0.477 0.802) 1.464 5.495 ( -1.128 0.477 0.802) 1.464 5.597 ( -0.926 -1.924 1.180) 2.440 5.597 ( -0.926 1.924 1.180) 2.440 5.657 ( -1.318 -1.330 -0.533) 1.946 5.657 ( -1.318 1.330 -0.533) 1.946 5.915 ( -0.783 -0.665 -0.432) 1.114 5.915 ( -0.783 0.665 -0.432) 1.114 6.085 ( -4.133 -1.512 1.600) 4.683 6.085 ( -4.133 1.512 1.600) 4.683 9.754 ( 2.392 -2.627 0.441) 3.580 9.754 ( 2.392 2.627 0.441) 3.580 9.917 ( -1.006 -2.696 -3.620) 4.624 9.917 ( -1.006 2.696 -3.620) 4.624 10.117 ( -2.156 -5.654 4.682) 7.651 10.117 ( -2.156 5.654 4.682) 7.651 10.305 ( 1.423 -3.567 -1.980) 4.321 10.305 ( 1.423 3.567 -1.980) 4.321 10.786 ( -1.209 -1.007 0.027) 1.574 10.786 ( -1.209 1.007 0.027) 1.574 11.026 ( 1.358 -0.902 0.282) 1.654 11.026 ( 1.358 0.902 0.282) 1.654======================= Grid point 166 (76/76) =======================q-point: ( 0.44 -0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 2.84e-04 2.84e-04 2.84e-04 2.84e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 Number of triplets: 72Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.811 ( -1.837 -1.341 0.246) 2.288 0.811 ( -1.837 1.341 0.246) 2.288 1.128 ( 1.405 -3.257 1.391) 3.810 1.128 ( 1.405 3.257 1.391) 3.810 1.287 ( 0.636 -2.177 -1.043) 2.496 1.287 ( 0.636 2.177 -1.043) 2.496 1.417 ( 2.032 -2.695 -2.511) 4.206 1.417 ( 2.032 2.695 -2.511) 4.206 1.514 ( -1.355 -2.477 -0.612) 2.889 1.514 ( -1.355 2.477 -0.612) 2.889 1.741 ( 1.072 -1.752 0.154) 2.060 1.741 ( 1.072 1.752 0.154) 2.060 2.136 ( 6.692 -1.485 -0.037) 6.855 2.136 ( 6.692 1.485 -0.037) 6.855 2.253 ( -2.721 -1.076 0.888) 3.058 2.253 ( -2.721 1.076 0.888) 3.058 2.578 ( 7.696 -1.907 -1.009) 7.993 2.578 ( 7.696 1.907 -1.009) 7.993 2.632 ( -0.621 -1.105 1.951) 2.326 2.632 ( -0.621 1.105 1.951) 2.326 2.687 ( 1.356 -2.067 0.609) 2.546 2.687 ( 1.356 2.067 0.609) 2.546 2.858 ( 0.366 -1.174 -1.573) 1.997 2.858 ( 0.366 1.174 -1.573) 1.997 3.060 ( 4.804 -3.311 3.230) 6.668 3.060 ( 4.804 3.311 3.230) 6.668 3.185 ( 1.622 -2.104 -4.311) 5.064 3.185 ( 1.622 2.104 -4.311) 5.064 3.432 ( 9.868 -2.169 2.140) 10.328 3.432 ( 9.868 2.169 2.140) 10.328 3.595 ( 2.761 -1.394 0.445) 3.125 3.595 ( 2.761 1.394 0.445) 3.125 3.710 ( -2.610 -4.450 -1.015) 5.258 3.710 ( -2.610 4.450 -1.015) 5.258 3.812 ( -0.980 -0.922 2.559) 2.891 3.812 ( -0.980 0.922 2.559) 2.891 3.870 ( 2.084 -4.232 1.930) 5.097 3.870 ( 2.084 4.232 1.930) 5.097 3.961 ( 0.028 -5.102 -2.732) 5.788 3.961 ( 0.028 5.102 -2.732) 5.788 4.229 ( -0.110 -3.175 -0.249) 3.186 4.229 ( -0.110 3.175 -0.249) 3.186 4.289 ( -5.406 -3.313 -0.663) 6.375 4.289 ( -5.406 3.313 -0.663) 6.375 4.428 ( -2.428 -1.312 -0.752) 2.861 4.428 ( -2.428 1.312 -0.752) 2.861 4.503 ( -4.669 -1.800 -0.070) 5.005 4.503 ( -4.669 1.800 -0.070) 5.005 5.303 ( -0.677 -0.501 -0.734) 1.118 5.303 ( -0.677 0.501 -0.734) 1.118 5.483 ( -0.600 -0.261 0.361) 0.748 5.483 ( -0.600 0.261 0.361) 0.748 5.599 ( -0.008 -1.107 0.925) 1.443 5.599 ( -0.008 1.107 0.925) 1.443 5.631 ( -0.831 -0.715 -0.632) 1.265 5.631 ( -0.831 0.715 -0.632) 1.265 5.910 ( 0.290 -0.474 -0.086) 0.562 5.910 ( 0.290 0.474 -0.086) 0.562 6.026 ( -2.644 -0.615 0.415) 2.746 6.026 ( -2.644 0.615 0.415) 2.746 9.795 ( 1.733 -1.929 -0.062) 2.594 9.795 ( 1.733 1.929 -0.062) 2.594 9.876 ( -1.218 -1.020 -0.894) 1.823 9.876 ( -1.218 1.020 -0.894) 1.823 10.116 ( -0.943 -2.405 1.768) 3.130 10.116 ( -0.943 2.405 1.768) 3.130 10.313 ( 0.710 -1.387 -0.887) 1.793 10.313 ( 0.710 1.387 -0.887) 1.793 10.771 ( -0.397 -0.337 -0.023) 0.521 10.771 ( -0.397 0.337 -0.023) 0.521 11.042 ( 0.434 -0.337 0.072) 0.555 11.042 ( 0.434 0.337 0.072) 0.555=================== 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 3/15552 10.0 28.830 15.864 26.187 0.000 -2.671 0.000 3/15552 20.0 10.605 5.171 8.060 0.000 -0.992 0.000 3/15552 30.0 6.178 2.870 4.258 0.000 -0.526 0.000 3/15552 40.0 4.258 1.927 2.786 0.000 -0.336 0.000 3/15552 50.0 3.211 1.435 2.042 0.000 -0.240 0.000 3/15552 60.0 2.567 1.139 1.605 0.000 -0.185 0.000 3/15552 70.0 2.137 0.945 1.322 0.000 -0.149 0.000 3/15552 80.0 1.832 0.809 1.125 0.000 -0.125 0.000 3/15552 90.0 1.605 0.709 0.980 0.000 -0.108 0.000 3/15552 100.0 1.429 0.632 0.870 0.000 -0.095 0.000 3/15552 110.0 1.290 0.571 0.782 0.000 -0.085 0.000 3/15552 120.0 1.176 0.521 0.711 0.000 -0.077 0.000 3/15552 130.0 1.081 0.480 0.653 0.000 -0.070 0.000 3/15552 140.0 1.001 0.446 0.604 0.000 -0.064 0.000 3/15552 150.0 0.932 0.416 0.562 0.000 -0.060 0.000 3/15552 160.0 0.872 0.390 0.525 0.000 -0.056 0.000 3/15552 170.0 0.820 0.368 0.493 0.000 -0.052 0.000 3/15552 180.0 0.774 0.348 0.465 0.000 -0.049 0.000 3/15552 190.0 0.733 0.330 0.440 0.000 -0.046 0.000 3/15552 200.0 0.696 0.314 0.418 0.000 -0.044 0.000 3/15552 210.0 0.663 0.299 0.398 0.000 -0.042 0.000 3/15552 220.0 0.633 0.286 0.379 0.000 -0.040 0.000 3/15552 230.0 0.605 0.274 0.363 0.000 -0.038 0.000 3/15552 240.0 0.580 0.263 0.348 0.000 -0.036 0.000 3/15552 250.0 0.557 0.253 0.334 0.000 -0.035 0.000 3/15552 260.0 0.535 0.243 0.321 0.000 -0.033 0.000 3/15552 270.0 0.516 0.234 0.309 0.000 -0.032 0.000 3/15552 280.0 0.497 0.226 0.298 0.000 -0.031 0.000 3/15552 290.0 0.480 0.219 0.288 0.000 -0.030 0.000 3/15552 300.0 0.464 0.212 0.278 0.000 -0.029 0.000 3/15552 310.0 0.449 0.205 0.269 0.000 -0.028 0.000 3/15552 320.0 0.435 0.199 0.261 0.000 -0.027 0.000 3/15552 330.0 0.422 0.193 0.253 0.000 -0.026 0.000 3/15552 340.0 0.410 0.187 0.245 0.000 -0.025 0.000 3/15552 350.0 0.398 0.182 0.238 0.000 -0.025 0.000 3/15552 360.0 0.387 0.177 0.232 0.000 -0.024 0.000 3/15552 370.0 0.377 0.173 0.225 0.000 -0.023 0.000 3/15552 380.0 0.367 0.168 0.219 0.000 -0.023 0.000 3/15552 390.0 0.358 0.164 0.214 0.000 -0.022 0.000 3/15552 400.0 0.349 0.160 0.209 0.000 -0.021 0.000 3/15552 410.0 0.340 0.156 0.203 0.000 -0.021 0.000 3/15552 420.0 0.332 0.152 0.199 0.000 -0.020 0.000 3/15552 430.0 0.325 0.149 0.194 0.000 -0.020 0.000 3/15552 440.0 0.317 0.146 0.190 0.000 -0.020 0.000 3/15552 450.0 0.310 0.142 0.185 0.000 -0.019 0.000 3/15552 460.0 0.304 0.139 0.181 0.000 -0.019 0.000 3/15552 470.0 0.297 0.136 0.178 0.000 -0.018 0.000 3/15552 480.0 0.291 0.134 0.174 0.000 -0.018 0.000 3/15552 490.0 0.285 0.131 0.170 0.000 -0.017 0.000 3/15552 500.0 0.279 0.128 0.167 0.000 -0.017 0.000 3/15552 510.0 0.274 0.126 0.164 0.000 -0.017 0.000 3/15552 520.0 0.269 0.124 0.161 0.000 -0.016 0.000 3/15552 530.0 0.264 0.121 0.158 0.000 -0.016 0.000 3/15552 540.0 0.259 0.119 0.155 0.000 -0.016 0.000 3/15552 550.0 0.254 0.117 0.152 0.000 -0.016 0.000 3/15552 560.0 0.250 0.115 0.149 0.000 -0.015 0.000 3/15552 570.0 0.245 0.113 0.147 0.000 -0.015 0.000 3/15552 580.0 0.241 0.111 0.144 0.000 -0.015 0.000 3/15552 590.0 0.237 0.109 0.142 0.000 -0.015 0.000 3/15552 600.0 0.233 0.107 0.139 0.000 -0.014 0.000 3/15552 610.0 0.229 0.106 0.137 0.000 -0.014 0.000 3/15552 620.0 0.226 0.104 0.135 0.000 -0.014 0.000 3/15552 630.0 0.222 0.102 0.133 0.000 -0.014 0.000 3/15552 640.0 0.219 0.101 0.131 0.000 -0.013 0.000 3/15552 650.0 0.215 0.099 0.129 0.000 -0.013 0.000 3/15552 660.0 0.212 0.098 0.127 0.000 -0.013 0.000 3/15552 670.0 0.209 0.096 0.125 0.000 -0.013 0.000 3/15552 680.0 0.206 0.095 0.123 0.000 -0.013 0.000 3/15552 690.0 0.203 0.093 0.121 0.000 -0.012 0.000 3/15552 700.0 0.200 0.092 0.119 0.000 -0.012 0.000 3/15552 710.0 0.197 0.091 0.118 0.000 -0.012 0.000 3/15552 720.0 0.194 0.090 0.116 0.000 -0.012 0.000 3/15552 730.0 0.192 0.088 0.114 0.000 -0.012 0.000 3/15552 740.0 0.189 0.087 0.113 0.000 -0.012 0.000 3/15552 750.0 0.187 0.086 0.111 0.000 -0.011 0.000 3/15552 760.0 0.184 0.085 0.110 0.000 -0.011 0.000 3/15552 770.0 0.182 0.084 0.109 0.000 -0.011 0.000 3/15552 780.0 0.180 0.083 0.107 0.000 -0.011 0.000 3/15552 790.0 0.177 0.082 0.106 0.000 -0.011 0.000 3/15552 800.0 0.175 0.081 0.104 0.000 -0.011 0.000 3/15552 810.0 0.173 0.080 0.103 0.000 -0.011 0.000 3/15552 820.0 0.171 0.079 0.102 0.000 -0.010 0.000 3/15552 830.0 0.169 0.078 0.101 0.000 -0.010 0.000 3/15552 840.0 0.167 0.077 0.100 0.000 -0.010 0.000 3/15552 850.0 0.165 0.076 0.098 0.000 -0.010 0.000 3/15552 860.0 0.163 0.075 0.097 0.000 -0.010 0.000 3/15552 870.0 0.161 0.074 0.096 0.000 -0.010 0.000 3/15552 880.0 0.159 0.073 0.095 0.000 -0.010 0.000 3/15552 890.0 0.157 0.073 0.094 0.000 -0.010 0.000 3/15552 900.0 0.156 0.072 0.093 0.000 -0.009 0.000 3/15552 910.0 0.154 0.071 0.092 0.000 -0.009 0.000 3/15552 920.0 0.152 0.070 0.091 0.000 -0.009 0.000 3/15552 930.0 0.151 0.070 0.090 0.000 -0.009 0.000 3/15552 940.0 0.149 0.069 0.089 0.000 -0.009 0.000 3/15552 950.0 0.148 0.068 0.088 0.000 -0.009 0.000 3/15552 960.0 0.146 0.067 0.087 0.000 -0.009 0.000 3/15552 970.0 0.144 0.067 0.086 0.000 -0.009 0.000 3/15552 980.0 0.143 0.066 0.085 0.000 -0.009 0.000 3/15552 990.0 0.142 0.065 0.084 0.000 -0.009 0.000 3/15552 1000.0 0.140 0.065 0.084 0.000 -0.009 0.000 3/15552Thermal conductivity related properties were written into "kappa-m964.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 08:24:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|