----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:59:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.853891010658940 0.000000000000000 0.000000000000000 b 0.000000000000000 10.310548389999997 0.000000000000000 c -7.685613403004109 0.000000000000000 9.953404210606216 Atomic positions (fractional): *1 Ta 0.06957979399167 0.72549299643763 0.45355963737939 180.948 2 Ta 0.93042020600833 0.22549299643763 0.04644036262061 180.948 3 Ta 0.06957979399167 0.77450700356237 0.95355963737939 180.948 4 Ta 0.93042020600833 0.27450700356237 0.54644036262061 180.948 *5 Tl 0.59265897203198 0.77353096113283 0.48993052175734 204.383 *6 Tl 0.33553720651428 0.99620058387528 0.72640676899491 204.383 7 Tl 0.66446279348572 0.00379941612471 0.27359323100509 204.383 8 Tl 0.40734102796802 0.22646903886718 0.51006947824266 204.383 9 Tl 0.33553720651428 0.50379941612472 0.22640676899491 204.383 10 Tl 0.66446279348572 0.49620058387528 0.77359323100509 204.383 11 Tl 0.59265897203198 0.72646903886717 0.98993052175734 204.383 12 Tl 0.40734102796802 0.27353096113282 0.01006947824266 204.383 *13 Ag 0.90887918420088 0.48957849460062 0.28500026867819 107.868 14 Ag 0.09112081579912 0.51042150539938 0.71499973132181 107.868 15 Ag 0.09112081579912 0.98957849460062 0.21499973132181 107.868 16 Ag 0.90887918420088 0.01042150539938 0.78500026867819 107.868 *17 S 0.10915795250298 0.76224516096707 0.14759521742171 32.065 *18 S 0.18798544760075 0.92241655890904 0.43843543615039 32.065 19 S 0.89084204749702 0.26224516096707 0.35240478257829 32.065 *20 S 0.28582525934689 0.31262402054120 0.72131407470887 32.065 21 S 0.81201455239925 0.42241655890904 0.06156456384961 32.065 *22 S 0.28626644343316 0.93251201800707 0.96920456731191 32.065 23 S 0.71373355656684 0.43251201800707 0.53079543268809 32.065 24 S 0.89084204749702 0.23775483903293 0.85240478257830 32.065 25 S 0.18798544760075 0.57758344109096 0.93843543615039 32.065 26 S 0.28582525934689 0.18737597945880 0.22131407470888 32.065 27 S 0.71417474065311 0.81262402054120 0.77868592529113 32.065 28 S 0.81201455239925 0.07758344109096 0.56156456384961 32.065 29 S 0.71417474065311 0.68737597945880 0.27868592529113 32.065 30 S 0.10915795250298 0.73775483903293 0.64759521742170 32.065 31 S 0.71373355656684 0.06748798199293 0.03079543268809 32.065 32 S 0.28626644343316 0.56748798199293 0.46920456731191 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.853891010658940 0.000000000000000 0.000000000000000 b 0.000000000000000 10.310548389999997 0.000000000000000 c -7.685613403004109 0.000000000000000 9.953404210606216 Atomic positions (fractional): *1 Ta 0.06957979399167 0.72549299643763 0.45355963737939 180.948 > 1 2 Ta 0.93042020600833 0.22549299643763 0.04644036262061 180.948 > 2 3 Ta 0.06957979399167 0.77450700356237 0.95355963737939 180.948 > 3 4 Ta 0.93042020600833 0.27450700356237 0.54644036262061 180.948 > 4 *5 Tl 0.59265897203198 0.77353096113283 0.48993052175734 204.383 > 5 *6 Tl 0.33553720651428 0.99620058387528 0.72640676899491 204.383 > 6 7 Tl 0.66446279348572 0.00379941612471 0.27359323100509 204.383 > 7 8 Tl 0.40734102796802 0.22646903886718 0.51006947824266 204.383 > 8 9 Tl 0.33553720651428 0.50379941612472 0.22640676899491 204.383 > 9 10 Tl 0.66446279348572 0.49620058387528 0.77359323100509 204.383 > 10 11 Tl 0.59265897203198 0.72646903886717 0.98993052175734 204.383 > 11 12 Tl 0.40734102796802 0.27353096113282 0.01006947824266 204.383 > 12 *13 Ag 0.90887918420088 0.48957849460062 0.28500026867819 107.868 > 13 14 Ag 0.09112081579912 0.51042150539938 0.71499973132181 107.868 > 14 15 Ag 0.09112081579912 0.98957849460062 0.21499973132181 107.868 > 15 16 Ag 0.90887918420088 0.01042150539938 0.78500026867819 107.868 > 16 *17 S 0.10915795250298 0.76224516096707 0.14759521742171 32.065 > 17 *18 S 0.18798544760075 0.92241655890904 0.43843543615039 32.065 > 18 19 S 0.89084204749702 0.26224516096707 0.35240478257829 32.065 > 19 *20 S 0.28582525934689 0.31262402054120 0.72131407470887 32.065 > 20 21 S 0.81201455239925 0.42241655890904 0.06156456384961 32.065 > 21 *22 S 0.28626644343316 0.93251201800707 0.96920456731191 32.065 > 22 23 S 0.71373355656684 0.43251201800707 0.53079543268809 32.065 > 23 24 S 0.89084204749702 0.23775483903293 0.85240478257830 32.065 > 24 25 S 0.18798544760075 0.57758344109096 0.93843543615039 32.065 > 25 26 S 0.28582525934689 0.18737597945880 0.22131407470888 32.065 > 26 27 S 0.71417474065311 0.81262402054120 0.77868592529113 32.065 > 27 28 S 0.81201455239925 0.07758344109096 0.56156456384961 32.065 > 28 29 S 0.71417474065311 0.68737597945880 0.27868592529113 32.065 > 29 30 S 0.10915795250298 0.73775483903293 0.64759521742170 32.065 > 30 31 S 0.71373355656684 0.06748798199293 0.03079543268809 32.065 > 31 32 S 0.28626644343316 0.56748798199293 0.46920456731191 32.065 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.707782021317881 0.000000000000000 0.000000000000000 b 0.000000000000000 20.621096779999995 0.000000000000000 c -7.685613403004109 0.000000000000000 9.953404210606216 Atomic positions (fractional): *1 Ta 0.03478989699583 0.36274649821881 0.45355963737939 180.948 > 1 2 Ta 0.53478989699583 0.36274649821881 0.45355963737939 180.948 > 1 3 Ta 0.03478989699583 0.86274649821881 0.45355963737939 180.948 > 1 4 Ta 0.53478989699583 0.86274649821881 0.45355963737939 180.948 > 1 5 Ta 0.46521010300417 0.11274649821881 0.04644036262061 180.948 > 2 6 Ta 0.96521010300417 0.11274649821881 0.04644036262061 180.948 > 2 7 Ta 0.46521010300417 0.61274649821881 0.04644036262061 180.948 > 2 8 Ta 0.96521010300417 0.61274649821881 0.04644036262061 180.948 > 2 9 Ta 0.03478989699583 0.38725350178119 0.95355963737939 180.948 > 3 10 Ta 0.53478989699583 0.38725350178119 0.95355963737939 180.948 > 3 11 Ta 0.03478989699583 0.88725350178119 0.95355963737939 180.948 > 3 12 Ta 0.53478989699583 0.88725350178119 0.95355963737939 180.948 > 3 13 Ta 0.46521010300417 0.13725350178119 0.54644036262061 180.948 > 4 14 Ta 0.96521010300417 0.13725350178119 0.54644036262061 180.948 > 4 15 Ta 0.46521010300417 0.63725350178119 0.54644036262061 180.948 > 4 16 Ta 0.96521010300417 0.63725350178119 0.54644036262061 180.948 > 4 *17 Tl 0.29632948601599 0.38676548056641 0.48993052175734 204.383 > 5 18 Tl 0.79632948601599 0.38676548056641 0.48993052175734 204.383 > 5 19 Tl 0.29632948601599 0.88676548056641 0.48993052175734 204.383 > 5 20 Tl 0.79632948601599 0.88676548056641 0.48993052175734 204.383 > 5 *21 Tl 0.16776860325714 0.49810029193764 0.72640676899491 204.383 > 6 22 Tl 0.66776860325714 0.49810029193764 0.72640676899491 204.383 > 6 23 Tl 0.16776860325714 0.99810029193764 0.72640676899491 204.383 > 6 24 Tl 0.66776860325714 0.99810029193764 0.72640676899491 204.383 > 6 25 Tl 0.33223139674286 0.00189970806236 0.27359323100509 204.383 > 7 26 Tl 0.83223139674286 0.00189970806236 0.27359323100509 204.383 > 7 27 Tl 0.33223139674286 0.50189970806236 0.27359323100509 204.383 > 7 28 Tl 0.83223139674286 0.50189970806236 0.27359323100509 204.383 > 7 29 Tl 0.20367051398401 0.11323451943359 0.51006947824266 204.383 > 8 30 Tl 0.70367051398401 0.11323451943359 0.51006947824266 204.383 > 8 31 Tl 0.20367051398401 0.61323451943359 0.51006947824266 204.383 > 8 32 Tl 0.70367051398401 0.61323451943359 0.51006947824266 204.383 > 8 33 Tl 0.16776860325714 0.25189970806236 0.22640676899491 204.383 > 9 34 Tl 0.66776860325714 0.25189970806236 0.22640676899491 204.383 > 9 35 Tl 0.16776860325714 0.75189970806236 0.22640676899491 204.383 > 9 36 Tl 0.66776860325714 0.75189970806236 0.22640676899491 204.383 > 9 37 Tl 0.33223139674286 0.24810029193764 0.77359323100509 204.383 > 10 38 Tl 0.83223139674286 0.24810029193764 0.77359323100509 204.383 > 10 39 Tl 0.33223139674286 0.74810029193764 0.77359323100509 204.383 > 10 40 Tl 0.83223139674286 0.74810029193764 0.77359323100509 204.383 > 10 41 Tl 0.29632948601599 0.36323451943359 0.98993052175734 204.383 > 11 42 Tl 0.79632948601599 0.36323451943359 0.98993052175734 204.383 > 11 43 Tl 0.29632948601599 0.86323451943359 0.98993052175734 204.383 > 11 44 Tl 0.79632948601599 0.86323451943359 0.98993052175734 204.383 > 11 45 Tl 0.20367051398401 0.13676548056641 0.01006947824266 204.383 > 12 46 Tl 0.70367051398401 0.13676548056641 0.01006947824266 204.383 > 12 47 Tl 0.20367051398401 0.63676548056641 0.01006947824266 204.383 > 12 48 Tl 0.70367051398401 0.63676548056641 0.01006947824266 204.383 > 12 *49 Ag 0.45443959210044 0.24478924730031 0.28500026867819 107.868 > 13 50 Ag 0.95443959210044 0.24478924730031 0.28500026867819 107.868 > 13 51 Ag 0.45443959210044 0.74478924730031 0.28500026867819 107.868 > 13 52 Ag 0.95443959210044 0.74478924730031 0.28500026867819 107.868 > 13 53 Ag 0.04556040789956 0.25521075269969 0.71499973132181 107.868 > 14 54 Ag 0.54556040789956 0.25521075269969 0.71499973132181 107.868 > 14 55 Ag 0.04556040789956 0.75521075269969 0.71499973132181 107.868 > 14 56 Ag 0.54556040789956 0.75521075269969 0.71499973132181 107.868 > 14 57 Ag 0.04556040789956 0.49478924730031 0.21499973132181 107.868 > 15 58 Ag 0.54556040789956 0.49478924730031 0.21499973132181 107.868 > 15 59 Ag 0.04556040789956 0.99478924730031 0.21499973132181 107.868 > 15 60 Ag 0.54556040789956 0.99478924730031 0.21499973132181 107.868 > 15 61 Ag 0.45443959210044 0.00521075269969 0.78500026867819 107.868 > 16 62 Ag 0.95443959210044 0.00521075269969 0.78500026867819 107.868 > 16 63 Ag 0.45443959210044 0.50521075269969 0.78500026867819 107.868 > 16 64 Ag 0.95443959210044 0.50521075269969 0.78500026867819 107.868 > 16 *65 S 0.05457897625149 0.38112258048353 0.14759521742171 32.065 > 17 66 S 0.55457897625149 0.38112258048353 0.14759521742171 32.065 > 17 67 S 0.05457897625149 0.88112258048353 0.14759521742171 32.065 > 17 68 S 0.55457897625149 0.88112258048353 0.14759521742171 32.065 > 17 *69 S 0.09399272380037 0.46120827945452 0.43843543615039 32.065 > 18 70 S 0.59399272380037 0.46120827945452 0.43843543615039 32.065 > 18 71 S 0.09399272380037 0.96120827945452 0.43843543615039 32.065 > 18 72 S 0.59399272380037 0.96120827945452 0.43843543615039 32.065 > 18 73 S 0.44542102374851 0.13112258048353 0.35240478257829 32.065 > 19 74 S 0.94542102374851 0.13112258048353 0.35240478257829 32.065 > 19 75 S 0.44542102374851 0.63112258048353 0.35240478257829 32.065 > 19 76 S 0.94542102374851 0.63112258048353 0.35240478257829 32.065 > 19 *77 S 0.14291262967345 0.15631201027060 0.72131407470887 32.065 > 20 78 S 0.64291262967345 0.15631201027060 0.72131407470887 32.065 > 20 79 S 0.14291262967345 0.65631201027060 0.72131407470887 32.065 > 20 80 S 0.64291262967345 0.65631201027060 0.72131407470887 32.065 > 20 81 S 0.40600727619963 0.21120827945452 0.06156456384961 32.065 > 21 82 S 0.90600727619963 0.21120827945452 0.06156456384961 32.065 > 21 83 S 0.40600727619963 0.71120827945452 0.06156456384961 32.065 > 21 84 S 0.90600727619963 0.71120827945452 0.06156456384961 32.065 > 21 *85 S 0.14313322171658 0.46625600900353 0.96920456731191 32.065 > 22 86 S 0.64313322171658 0.46625600900353 0.96920456731191 32.065 > 22 87 S 0.14313322171658 0.96625600900353 0.96920456731191 32.065 > 22 88 S 0.64313322171658 0.96625600900353 0.96920456731191 32.065 > 22 89 S 0.35686677828342 0.21625600900353 0.53079543268809 32.065 > 23 90 S 0.85686677828342 0.21625600900353 0.53079543268809 32.065 > 23 91 S 0.35686677828342 0.71625600900353 0.53079543268809 32.065 > 23 92 S 0.85686677828342 0.71625600900353 0.53079543268809 32.065 > 23 93 S 0.44542102374851 0.11887741951647 0.85240478257830 32.065 > 24 94 S 0.94542102374851 0.11887741951647 0.85240478257830 32.065 > 24 95 S 0.44542102374851 0.61887741951647 0.85240478257830 32.065 > 24 96 S 0.94542102374851 0.61887741951647 0.85240478257830 32.065 > 24 97 S 0.09399272380037 0.28879172054548 0.93843543615039 32.065 > 25 98 S 0.59399272380037 0.28879172054548 0.93843543615039 32.065 > 25 99 S 0.09399272380037 0.78879172054548 0.93843543615039 32.065 > 25 100 S 0.59399272380037 0.78879172054548 0.93843543615039 32.065 > 25 101 S 0.14291262967345 0.09368798972940 0.22131407470888 32.065 > 26 102 S 0.64291262967345 0.09368798972940 0.22131407470888 32.065 > 26 103 S 0.14291262967345 0.59368798972940 0.22131407470888 32.065 > 26 104 S 0.64291262967345 0.59368798972940 0.22131407470888 32.065 > 26 105 S 0.35708737032655 0.40631201027060 0.77868592529113 32.065 > 27 106 S 0.85708737032655 0.40631201027060 0.77868592529113 32.065 > 27 107 S 0.35708737032655 0.90631201027060 0.77868592529113 32.065 > 27 108 S 0.85708737032655 0.90631201027060 0.77868592529113 32.065 > 27 109 S 0.40600727619963 0.03879172054548 0.56156456384961 32.065 > 28 110 S 0.90600727619963 0.03879172054548 0.56156456384961 32.065 > 28 111 S 0.40600727619963 0.53879172054548 0.56156456384961 32.065 > 28 112 S 0.90600727619963 0.53879172054548 0.56156456384961 32.065 > 28 113 S 0.35708737032655 0.34368798972940 0.27868592529113 32.065 > 29 114 S 0.85708737032655 0.34368798972940 0.27868592529113 32.065 > 29 115 S 0.35708737032655 0.84368798972940 0.27868592529113 32.065 > 29 116 S 0.85708737032655 0.84368798972940 0.27868592529113 32.065 > 29 117 S 0.05457897625149 0.36887741951647 0.64759521742170 32.065 > 30 118 S 0.55457897625149 0.36887741951647 0.64759521742170 32.065 > 30 119 S 0.05457897625149 0.86887741951647 0.64759521742170 32.065 > 30 120 S 0.55457897625149 0.86887741951647 0.64759521742170 32.065 > 30 121 S 0.35686677828342 0.03374399099647 0.03079543268809 32.065 > 31 122 S 0.85686677828342 0.03374399099647 0.03079543268809 32.065 > 31 123 S 0.35686677828342 0.53374399099647 0.03079543268809 32.065 > 31 124 S 0.85686677828342 0.53374399099647 0.03079543268809 32.065 > 31 125 S 0.14313322171658 0.28374399099647 0.46920456731191 32.065 > 32 126 S 0.64313322171658 0.28374399099647 0.46920456731191 32.065 > 32 127 S 0.14313322171658 0.78374399099647 0.46920456731191 32.065 > 32 128 S 0.64313322171658 0.78374399099647 0.46920456731191 32.065 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8758171 0.0000000 -0.3825912 0.0000000 7.7553365 0.0000000 -0.3825905 0.0000000 7.9390308 -------------------------- Born effective charges -------------------------- 1 Ta 2.5741743 -0.0500683 -0.3401982 -0.0264711 2.6345867 0.3921877 -0.2772889 -0.0585082 2.5971241 2 Ta 2.5741743 0.0500683 -0.3401982 0.0264711 2.6345867 -0.3921877 -0.2772889 0.0585082 2.5971241 3 Ta 2.5741743 0.0500683 -0.3401982 0.0264711 2.6345867 -0.3921877 -0.2772889 0.0585082 2.5971241 4 Ta 2.5741743 -0.0500683 -0.3401982 -0.0264711 2.6345867 0.3921877 -0.2772889 -0.0585082 2.5971241 5 Tl 3.0890242 0.0507498 0.1695566 0.1037952 1.6176947 0.1505059 0.0043875 0.2275526 1.9048154 6 Tl 1.8241622 -0.4006523 0.2040506 -0.2635222 2.3597118 0.4813443 0.3087371 0.4781152 2.3599593 7 Tl 1.8241622 -0.4006523 0.2040506 -0.2635222 2.3597118 0.4813443 0.3087371 0.4781152 2.3599593 8 Tl 3.0890242 0.0507498 0.1695566 0.1037952 1.6176947 0.1505059 0.0043875 0.2275526 1.9048154 9 Tl 1.8241622 0.4006523 0.2040506 0.2635222 2.3597118 -0.4813443 0.3087371 -0.4781152 2.3599593 10 Tl 1.8241622 0.4006523 0.2040506 0.2635222 2.3597118 -0.4813443 0.3087371 -0.4781152 2.3599593 11 Tl 3.0890242 -0.0507498 0.1695566 -0.1037952 1.6176947 -0.1505059 0.0043875 -0.2275526 1.9048154 12 Tl 3.0890242 -0.0507498 0.1695566 -0.1037952 1.6176947 -0.1505059 0.0043875 -0.2275526 1.9048154 13 Ag 0.7584418 0.1130139 -0.2414116 -0.0919129 0.6782805 -0.0433491 -0.2163981 -0.1099519 0.8718611 14 Ag 0.7584418 0.1130139 -0.2414116 -0.0919129 0.6782805 -0.0433491 -0.2163981 -0.1099519 0.8718611 15 Ag 0.7584418 -0.1130139 -0.2414116 0.0919129 0.6782805 0.0433491 -0.2163981 0.1099519 0.8718611 16 Ag 0.7584418 -0.1130139 -0.2414116 0.0919129 0.6782805 0.0433491 -0.2163981 0.1099519 0.8718611 17 S -1.8143240 0.2081426 1.3121780 0.0505618 -1.0151208 0.3374209 1.1198037 0.0387009 -2.9436879 18 S -1.9517727 -0.9333307 0.1711730 -0.7540645 -2.8939410 0.1553461 0.1880503 0.4233092 -1.2775685 19 S -1.8143240 -0.2081426 1.3121780 -0.0505618 -1.0151208 -0.3374209 1.1198037 -0.0387009 -2.9436879 20 S -1.9899793 -0.1102554 -0.8798233 -0.1897753 -1.3677761 -0.4700487 -0.9565665 -0.2203437 -2.4301328 21 S -1.9517727 0.9333307 0.1711730 0.7540645 -2.8939410 -0.1553461 0.1880503 -0.4233092 -1.2775685 22 S -2.4897265 -1.0623727 -0.3955250 -1.0691963 -2.0134359 -0.1162176 -0.1707251 -0.0772119 -1.0823708 23 S -2.4897265 1.0623727 -0.3955250 1.0691963 -2.0134359 0.1162176 -0.1707251 0.0772119 -1.0823708 24 S -1.8143240 0.2081426 1.3121780 0.0505618 -1.0151208 0.3374209 1.1198037 0.0387009 -2.9436879 25 S -1.9517727 0.9333307 0.1711730 0.7540645 -2.8939410 -0.1553461 0.1880503 -0.4233092 -1.2775685 26 S -1.9899793 0.1102554 -0.8798233 0.1897753 -1.3677761 0.4700487 -0.9565665 0.2203437 -2.4301328 27 S -1.9899793 0.1102554 -0.8798233 0.1897753 -1.3677761 0.4700487 -0.9565665 0.2203437 -2.4301328 28 S -1.9517727 -0.9333307 0.1711730 -0.7540645 -2.8939410 0.1553461 0.1880503 0.4233092 -1.2775685 29 S -1.9899793 -0.1102554 -0.8798233 -0.1897753 -1.3677761 -0.4700487 -0.9565665 -0.2203437 -2.4301328 30 S -1.8143240 -0.2081426 1.3121780 -0.0505618 -1.0151208 -0.3374209 1.1198037 -0.0387009 -2.9436879 31 S -2.4897265 -1.0623727 -0.3955250 -1.0691963 -2.0134359 -0.1162176 -0.1707251 -0.0772119 -1.0823708 32 S -2.4897265 1.0623727 -0.3955250 1.0691963 -2.0134359 0.1162176 -0.1707251 0.0772119 -1.0823708 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.420 Solver_block: 200 / 960 - Time: 1.256 Solver_block: 300 / 960 - Time: 1.268 Solver_block: 400 / 960 - Time: 1.241 Solver_block: 500 / 960 - Time: 1.256 Solver_block: 600 / 960 - Time: 1.261 Solver_block: 700 / 960 - Time: 1.245 Solver_block: 800 / 960 - Time: 1.249 Solver_block: 900 / 960 - Time: 1.250 Solver_block: 960 / 960 - Time: 0.858 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.635 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 262 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 262), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 14:00:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:00:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.853891010658940 0.000000000000000 0.000000000000000 b 0.000000000000000 10.310548389999997 0.000000000000000 c -7.685613403004109 0.000000000000000 9.953404210606216 Atomic positions (fractional): 1 Ta 0.06957979399167 0.72549299643763 0.45355963737939 180.948 2 Ta 0.93042020600833 0.22549299643763 0.04644036262061 180.948 3 Ta 0.06957979399167 0.77450700356237 0.95355963737939 180.948 4 Ta 0.93042020600833 0.27450700356237 0.54644036262061 180.948 5 Tl 0.59265897203198 0.77353096113283 0.48993052175734 204.383 6 Tl 0.33553720651428 0.99620058387528 0.72640676899491 204.383 7 Tl 0.66446279348572 0.00379941612471 0.27359323100509 204.383 8 Tl 0.40734102796802 0.22646903886718 0.51006947824266 204.383 9 Tl 0.33553720651428 0.50379941612472 0.22640676899491 204.383 10 Tl 0.66446279348572 0.49620058387528 0.77359323100509 204.383 11 Tl 0.59265897203198 0.72646903886717 0.98993052175734 204.383 12 Tl 0.40734102796802 0.27353096113282 0.01006947824266 204.383 13 Ag 0.90887918420088 0.48957849460062 0.28500026867819 107.868 14 Ag 0.09112081579912 0.51042150539938 0.71499973132181 107.868 15 Ag 0.09112081579912 0.98957849460062 0.21499973132181 107.868 16 Ag 0.90887918420088 0.01042150539938 0.78500026867819 107.868 17 S 0.10915795250298 0.76224516096707 0.14759521742171 32.065 18 S 0.18798544760075 0.92241655890904 0.43843543615039 32.065 19 S 0.89084204749702 0.26224516096707 0.35240478257829 32.065 20 S 0.28582525934689 0.31262402054120 0.72131407470887 32.065 21 S 0.81201455239925 0.42241655890904 0.06156456384961 32.065 22 S 0.28626644343316 0.93251201800707 0.96920456731191 32.065 23 S 0.71373355656684 0.43251201800707 0.53079543268809 32.065 24 S 0.89084204749702 0.23775483903293 0.85240478257830 32.065 25 S 0.18798544760075 0.57758344109096 0.93843543615039 32.065 26 S 0.28582525934689 0.18737597945880 0.22131407470888 32.065 27 S 0.71417474065311 0.81262402054120 0.77868592529113 32.065 28 S 0.81201455239925 0.07758344109096 0.56156456384961 32.065 29 S 0.71417474065311 0.68737597945880 0.27868592529113 32.065 30 S 0.10915795250298 0.73775483903293 0.64759521742170 32.065 31 S 0.71373355656684 0.06748798199293 0.03079543268809 32.065 32 S 0.28626644343316 0.56748798199293 0.46920456731191 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.707782021317881 0.000000000000000 0.000000000000000 b 0.000000000000000 20.621096779999995 0.000000000000000 c -7.685613403004109 0.000000000000000 9.953404210606216 Atomic positions (fractional): 1 Ta 0.03478989699583 0.36274649821881 0.45355963737939 180.948 > 1 2 Ta 0.53478989699583 0.36274649821881 0.45355963737939 180.948 > 1 3 Ta 0.03478989699583 0.86274649821881 0.45355963737939 180.948 > 1 4 Ta 0.53478989699583 0.86274649821881 0.45355963737939 180.948 > 1 5 Ta 0.46521010300417 0.11274649821881 0.04644036262061 180.948 > 5 6 Ta 0.96521010300417 0.11274649821881 0.04644036262061 180.948 > 5 7 Ta 0.46521010300417 0.61274649821881 0.04644036262061 180.948 > 5 8 Ta 0.96521010300417 0.61274649821881 0.04644036262061 180.948 > 5 9 Ta 0.03478989699583 0.38725350178119 0.95355963737939 180.948 > 9 10 Ta 0.53478989699583 0.38725350178119 0.95355963737939 180.948 > 9 11 Ta 0.03478989699583 0.88725350178119 0.95355963737939 180.948 > 9 12 Ta 0.53478989699583 0.88725350178119 0.95355963737939 180.948 > 9 13 Ta 0.46521010300417 0.13725350178119 0.54644036262061 180.948 > 13 14 Ta 0.96521010300417 0.13725350178119 0.54644036262061 180.948 > 13 15 Ta 0.46521010300417 0.63725350178119 0.54644036262061 180.948 > 13 16 Ta 0.96521010300417 0.63725350178119 0.54644036262061 180.948 > 13 17 Tl 0.29632948601599 0.38676548056641 0.48993052175734 204.383 > 17 18 Tl 0.79632948601599 0.38676548056641 0.48993052175734 204.383 > 17 19 Tl 0.29632948601599 0.88676548056641 0.48993052175734 204.383 > 17 20 Tl 0.79632948601599 0.88676548056641 0.48993052175734 204.383 > 17 21 Tl 0.16776860325714 0.49810029193764 0.72640676899491 204.383 > 21 22 Tl 0.66776860325714 0.49810029193764 0.72640676899491 204.383 > 21 23 Tl 0.16776860325714 0.99810029193764 0.72640676899491 204.383 > 21 24 Tl 0.66776860325714 0.99810029193764 0.72640676899491 204.383 > 21 25 Tl 0.33223139674286 0.00189970806236 0.27359323100509 204.383 > 25 26 Tl 0.83223139674286 0.00189970806236 0.27359323100509 204.383 > 25 27 Tl 0.33223139674286 0.50189970806236 0.27359323100509 204.383 > 25 28 Tl 0.83223139674286 0.50189970806236 0.27359323100509 204.383 > 25 29 Tl 0.20367051398401 0.11323451943359 0.51006947824266 204.383 > 29 30 Tl 0.70367051398401 0.11323451943359 0.51006947824266 204.383 > 29 31 Tl 0.20367051398401 0.61323451943359 0.51006947824266 204.383 > 29 32 Tl 0.70367051398401 0.61323451943359 0.51006947824266 204.383 > 29 33 Tl 0.16776860325714 0.25189970806236 0.22640676899491 204.383 > 33 34 Tl 0.66776860325714 0.25189970806236 0.22640676899491 204.383 > 33 35 Tl 0.16776860325714 0.75189970806236 0.22640676899491 204.383 > 33 36 Tl 0.66776860325714 0.75189970806236 0.22640676899491 204.383 > 33 37 Tl 0.33223139674286 0.24810029193764 0.77359323100509 204.383 > 37 38 Tl 0.83223139674286 0.24810029193764 0.77359323100509 204.383 > 37 39 Tl 0.33223139674286 0.74810029193764 0.77359323100509 204.383 > 37 40 Tl 0.83223139674286 0.74810029193764 0.77359323100509 204.383 > 37 41 Tl 0.29632948601599 0.36323451943359 0.98993052175734 204.383 > 41 42 Tl 0.79632948601599 0.36323451943359 0.98993052175734 204.383 > 41 43 Tl 0.29632948601599 0.86323451943359 0.98993052175734 204.383 > 41 44 Tl 0.79632948601599 0.86323451943359 0.98993052175734 204.383 > 41 45 Tl 0.20367051398401 0.13676548056641 0.01006947824266 204.383 > 45 46 Tl 0.70367051398401 0.13676548056641 0.01006947824266 204.383 > 45 47 Tl 0.20367051398401 0.63676548056641 0.01006947824266 204.383 > 45 48 Tl 0.70367051398401 0.63676548056641 0.01006947824266 204.383 > 45 49 Ag 0.45443959210044 0.24478924730031 0.28500026867819 107.868 > 49 50 Ag 0.95443959210044 0.24478924730031 0.28500026867819 107.868 > 49 51 Ag 0.45443959210044 0.74478924730031 0.28500026867819 107.868 > 49 52 Ag 0.95443959210044 0.74478924730031 0.28500026867819 107.868 > 49 53 Ag 0.04556040789956 0.25521075269969 0.71499973132181 107.868 > 53 54 Ag 0.54556040789956 0.25521075269969 0.71499973132181 107.868 > 53 55 Ag 0.04556040789956 0.75521075269969 0.71499973132181 107.868 > 53 56 Ag 0.54556040789956 0.75521075269969 0.71499973132181 107.868 > 53 57 Ag 0.04556040789956 0.49478924730031 0.21499973132181 107.868 > 57 58 Ag 0.54556040789956 0.49478924730031 0.21499973132181 107.868 > 57 59 Ag 0.04556040789956 0.99478924730031 0.21499973132181 107.868 > 57 60 Ag 0.54556040789956 0.99478924730031 0.21499973132181 107.868 > 57 61 Ag 0.45443959210044 0.00521075269969 0.78500026867819 107.868 > 61 62 Ag 0.95443959210044 0.00521075269969 0.78500026867819 107.868 > 61 63 Ag 0.45443959210044 0.50521075269969 0.78500026867819 107.868 > 61 64 Ag 0.95443959210044 0.50521075269969 0.78500026867819 107.868 > 61 65 S 0.05457897625149 0.38112258048353 0.14759521742171 32.065 > 65 66 S 0.55457897625149 0.38112258048353 0.14759521742171 32.065 > 65 67 S 0.05457897625149 0.88112258048353 0.14759521742171 32.065 > 65 68 S 0.55457897625149 0.88112258048353 0.14759521742171 32.065 > 65 69 S 0.09399272380037 0.46120827945452 0.43843543615039 32.065 > 69 70 S 0.59399272380037 0.46120827945452 0.43843543615039 32.065 > 69 71 S 0.09399272380037 0.96120827945452 0.43843543615039 32.065 > 69 72 S 0.59399272380037 0.96120827945452 0.43843543615039 32.065 > 69 73 S 0.44542102374851 0.13112258048353 0.35240478257829 32.065 > 73 74 S 0.94542102374851 0.13112258048353 0.35240478257829 32.065 > 73 75 S 0.44542102374851 0.63112258048353 0.35240478257829 32.065 > 73 76 S 0.94542102374851 0.63112258048353 0.35240478257829 32.065 > 73 77 S 0.14291262967345 0.15631201027060 0.72131407470887 32.065 > 77 78 S 0.64291262967345 0.15631201027060 0.72131407470887 32.065 > 77 79 S 0.14291262967345 0.65631201027060 0.72131407470887 32.065 > 77 80 S 0.64291262967345 0.65631201027060 0.72131407470887 32.065 > 77 81 S 0.40600727619963 0.21120827945452 0.06156456384961 32.065 > 81 82 S 0.90600727619963 0.21120827945452 0.06156456384961 32.065 > 81 83 S 0.40600727619963 0.71120827945452 0.06156456384961 32.065 > 81 84 S 0.90600727619963 0.71120827945452 0.06156456384961 32.065 > 81 85 S 0.14313322171658 0.46625600900353 0.96920456731191 32.065 > 85 86 S 0.64313322171658 0.46625600900353 0.96920456731191 32.065 > 85 87 S 0.14313322171658 0.96625600900353 0.96920456731191 32.065 > 85 88 S 0.64313322171658 0.96625600900353 0.96920456731191 32.065 > 85 89 S 0.35686677828342 0.21625600900353 0.53079543268809 32.065 > 89 90 S 0.85686677828342 0.21625600900353 0.53079543268809 32.065 > 89 91 S 0.35686677828342 0.71625600900353 0.53079543268809 32.065 > 89 92 S 0.85686677828342 0.71625600900353 0.53079543268809 32.065 > 89 93 S 0.44542102374851 0.11887741951647 0.85240478257830 32.065 > 93 94 S 0.94542102374851 0.11887741951647 0.85240478257830 32.065 > 93 95 S 0.44542102374851 0.61887741951647 0.85240478257830 32.065 > 93 96 S 0.94542102374851 0.61887741951647 0.85240478257830 32.065 > 93 97 S 0.09399272380037 0.28879172054548 0.93843543615039 32.065 > 97 98 S 0.59399272380037 0.28879172054548 0.93843543615039 32.065 > 97 99 S 0.09399272380037 0.78879172054548 0.93843543615039 32.065 > 97 100 S 0.59399272380037 0.78879172054548 0.93843543615039 32.065 > 97 101 S 0.14291262967345 0.09368798972940 0.22131407470888 32.065 > 101 102 S 0.64291262967345 0.09368798972940 0.22131407470888 32.065 > 101 103 S 0.14291262967345 0.59368798972940 0.22131407470888 32.065 > 101 104 S 0.64291262967345 0.59368798972940 0.22131407470888 32.065 > 101 105 S 0.35708737032655 0.40631201027060 0.77868592529113 32.065 > 105 106 S 0.85708737032655 0.40631201027060 0.77868592529113 32.065 > 105 107 S 0.35708737032655 0.90631201027060 0.77868592529113 32.065 > 105 108 S 0.85708737032655 0.90631201027060 0.77868592529113 32.065 > 105 109 S 0.40600727619963 0.03879172054548 0.56156456384961 32.065 > 109 110 S 0.90600727619963 0.03879172054548 0.56156456384961 32.065 > 109 111 S 0.40600727619963 0.53879172054548 0.56156456384961 32.065 > 109 112 S 0.90600727619963 0.53879172054548 0.56156456384961 32.065 > 109 113 S 0.35708737032655 0.34368798972940 0.27868592529113 32.065 > 113 114 S 0.85708737032655 0.34368798972940 0.27868592529113 32.065 > 113 115 S 0.35708737032655 0.84368798972940 0.27868592529113 32.065 > 113 116 S 0.85708737032655 0.84368798972940 0.27868592529113 32.065 > 113 117 S 0.05457897625149 0.36887741951647 0.64759521742170 32.065 > 117 118 S 0.55457897625149 0.36887741951647 0.64759521742170 32.065 > 117 119 S 0.05457897625149 0.86887741951647 0.64759521742170 32.065 > 117 120 S 0.55457897625149 0.86887741951647 0.64759521742170 32.065 > 117 121 S 0.35686677828342 0.03374399099647 0.03079543268809 32.065 > 121 122 S 0.85686677828342 0.03374399099647 0.03079543268809 32.065 > 121 123 S 0.35686677828342 0.53374399099647 0.03079543268809 32.065 > 121 124 S 0.85686677828342 0.53374399099647 0.03079543268809 32.065 > 121 125 S 0.14313322171658 0.28374399099647 0.46920456731191 32.065 > 125 126 S 0.64313322171658 0.28374399099647 0.46920456731191 32.065 > 125 127 S 0.14313322171658 0.78374399099647 0.46920456731191 32.065 > 125 128 S 0.64313322171658 0.78374399099647 0.46920456731191 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.8758171 0.0000000 -0.3825912 0.0000000 7.7553365 0.0000000 -0.3825905 0.0000000 7.9390308 -------------------------- Born effective charges -------------------------- 1 Ta 2.5741743 -0.0500683 -0.3401982 -0.0264711 2.6345867 0.3921877 -0.2772889 -0.0585082 2.5971241 2 Ta 2.5741743 0.0500683 -0.3401982 0.0264711 2.6345867 -0.3921877 -0.2772889 0.0585082 2.5971241 3 Ta 2.5741743 0.0500683 -0.3401982 0.0264711 2.6345867 -0.3921877 -0.2772889 0.0585082 2.5971241 4 Ta 2.5741743 -0.0500683 -0.3401982 -0.0264711 2.6345867 0.3921877 -0.2772889 -0.0585082 2.5971241 5 Tl 3.0890242 0.0507498 0.1695566 0.1037952 1.6176947 0.1505059 0.0043875 0.2275526 1.9048154 6 Tl 1.8241622 -0.4006523 0.2040506 -0.2635222 2.3597118 0.4813443 0.3087371 0.4781152 2.3599593 7 Tl 1.8241622 -0.4006523 0.2040506 -0.2635222 2.3597118 0.4813443 0.3087371 0.4781152 2.3599593 8 Tl 3.0890242 0.0507498 0.1695566 0.1037952 1.6176947 0.1505059 0.0043875 0.2275526 1.9048154 9 Tl 1.8241622 0.4006523 0.2040506 0.2635222 2.3597118 -0.4813443 0.3087371 -0.4781152 2.3599593 10 Tl 1.8241622 0.4006523 0.2040506 0.2635222 2.3597118 -0.4813443 0.3087371 -0.4781152 2.3599593 11 Tl 3.0890242 -0.0507498 0.1695566 -0.1037952 1.6176947 -0.1505059 0.0043875 -0.2275526 1.9048154 12 Tl 3.0890242 -0.0507498 0.1695566 -0.1037952 1.6176947 -0.1505059 0.0043875 -0.2275526 1.9048154 13 Ag 0.7584418 0.1130139 -0.2414116 -0.0919129 0.6782805 -0.0433491 -0.2163981 -0.1099519 0.8718611 14 Ag 0.7584418 0.1130139 -0.2414116 -0.0919129 0.6782805 -0.0433491 -0.2163981 -0.1099519 0.8718611 15 Ag 0.7584418 -0.1130139 -0.2414116 0.0919129 0.6782805 0.0433491 -0.2163981 0.1099519 0.8718611 16 Ag 0.7584418 -0.1130139 -0.2414116 0.0919129 0.6782805 0.0433491 -0.2163981 0.1099519 0.8718611 17 S -1.8143240 0.2081426 1.3121780 0.0505618 -1.0151208 0.3374209 1.1198037 0.0387009 -2.9436879 18 S -1.9517727 -0.9333307 0.1711730 -0.7540645 -2.8939410 0.1553461 0.1880503 0.4233092 -1.2775685 19 S -1.8143240 -0.2081426 1.3121780 -0.0505618 -1.0151208 -0.3374209 1.1198037 -0.0387009 -2.9436879 20 S -1.9899793 -0.1102554 -0.8798233 -0.1897753 -1.3677761 -0.4700487 -0.9565665 -0.2203437 -2.4301328 21 S -1.9517727 0.9333307 0.1711730 0.7540645 -2.8939410 -0.1553461 0.1880503 -0.4233092 -1.2775685 22 S -2.4897265 -1.0623727 -0.3955250 -1.0691963 -2.0134359 -0.1162176 -0.1707251 -0.0772119 -1.0823708 23 S -2.4897265 1.0623727 -0.3955250 1.0691963 -2.0134359 0.1162176 -0.1707251 0.0772119 -1.0823708 24 S -1.8143240 0.2081426 1.3121780 0.0505618 -1.0151208 0.3374209 1.1198037 0.0387009 -2.9436879 25 S -1.9517727 0.9333307 0.1711730 0.7540645 -2.8939410 -0.1553461 0.1880503 -0.4233092 -1.2775685 26 S -1.9899793 0.1102554 -0.8798233 0.1897753 -1.3677761 0.4700487 -0.9565665 0.2203437 -2.4301328 27 S -1.9899793 0.1102554 -0.8798233 0.1897753 -1.3677761 0.4700487 -0.9565665 0.2203437 -2.4301328 28 S -1.9517727 -0.9333307 0.1711730 -0.7540645 -2.8939410 0.1553461 0.1880503 0.4233092 -1.2775685 29 S -1.9899793 -0.1102554 -0.8798233 -0.1897753 -1.3677761 -0.4700487 -0.9565665 -0.2203437 -2.4301328 30 S -1.8143240 -0.2081426 1.3121780 -0.0505618 -1.0151208 -0.3374209 1.1198037 -0.0387009 -2.9436879 31 S -2.4897265 -1.0623727 -0.3955250 -1.0691963 -2.0134359 -0.1162176 -0.1707251 -0.0772119 -1.0823708 32 S -2.4897265 1.0623727 -0.3955250 1.0691963 -2.0134359 0.1162176 -0.1707251 0.0772119 -1.0823708 ---------------------------------------------------------------------------- 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 17, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 21, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 69, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 77, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Computing fc3[ 85, 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] [-0.0061 0.0000 0.0079] [ 0.0061 0.0000 -0.0079] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:01:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:01:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.853891010658940 0.000000000000000 0.000000000000000 b 0.000000000000000 10.310548389999997 0.000000000000000 c -7.685613403004109 0.000000000000000 9.953404210606216 Atomic positions (fractional): 1 Ta 0.06957979399167 0.72549299643763 0.45355963737939 180.948 2 Ta 0.93042020600833 0.22549299643763 0.04644036262061 180.948 3 Ta 0.06957979399167 0.77450700356237 0.95355963737939 180.948 4 Ta 0.93042020600833 0.27450700356237 0.54644036262061 180.948 5 Tl 0.59265897203198 0.77353096113283 0.48993052175734 204.383 6 Tl 0.33553720651428 0.99620058387528 0.72640676899491 204.383 7 Tl 0.66446279348572 0.00379941612471 0.27359323100509 204.383 8 Tl 0.40734102796802 0.22646903886718 0.51006947824266 204.383 9 Tl 0.33553720651428 0.50379941612472 0.22640676899491 204.383 10 Tl 0.66446279348572 0.49620058387528 0.77359323100509 204.383 11 Tl 0.59265897203198 0.72646903886717 0.98993052175734 204.383 12 Tl 0.40734102796802 0.27353096113282 0.01006947824266 204.383 13 Ag 0.90887918420088 0.48957849460062 0.28500026867819 107.868 14 Ag 0.09112081579912 0.51042150539938 0.71499973132181 107.868 15 Ag 0.09112081579912 0.98957849460062 0.21499973132181 107.868 16 Ag 0.90887918420088 0.01042150539938 0.78500026867819 107.868 17 S 0.10915795250298 0.76224516096707 0.14759521742171 32.065 18 S 0.18798544760075 0.92241655890904 0.43843543615039 32.065 19 S 0.89084204749702 0.26224516096707 0.35240478257829 32.065 20 S 0.28582525934689 0.31262402054120 0.72131407470887 32.065 21 S 0.81201455239925 0.42241655890904 0.06156456384961 32.065 22 S 0.28626644343316 0.93251201800707 0.96920456731191 32.065 23 S 0.71373355656684 0.43251201800707 0.53079543268809 32.065 24 S 0.89084204749702 0.23775483903293 0.85240478257830 32.065 25 S 0.18798544760075 0.57758344109096 0.93843543615039 32.065 26 S 0.28582525934689 0.18737597945880 0.22131407470888 32.065 27 S 0.71417474065311 0.81262402054120 0.77868592529113 32.065 28 S 0.81201455239925 0.07758344109096 0.56156456384961 32.065 29 S 0.71417474065311 0.68737597945880 0.27868592529113 32.065 30 S 0.10915795250298 0.73775483903293 0.64759521742170 32.065 31 S 0.71373355656684 0.06748798199293 0.03079543268809 32.065 32 S 0.28626644343316 0.56748798199293 0.46920456731191 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.707782021317881 0.000000000000000 0.000000000000000 b 0.000000000000000 20.621096779999995 0.000000000000000 c -7.685613403004109 0.000000000000000 9.953404210606216 Atomic positions (fractional): 1 Ta 0.03478989699583 0.36274649821881 0.45355963737939 180.948 > 1 2 Ta 0.53478989699583 0.36274649821881 0.45355963737939 180.948 > 1 3 Ta 0.03478989699583 0.86274649821881 0.45355963737939 180.948 > 1 4 Ta 0.53478989699583 0.86274649821881 0.45355963737939 180.948 > 1 5 Ta 0.46521010300417 0.11274649821881 0.04644036262061 180.948 > 5 6 Ta 0.96521010300417 0.11274649821881 0.04644036262061 180.948 > 5 7 Ta 0.46521010300417 0.61274649821881 0.04644036262061 180.948 > 5 8 Ta 0.96521010300417 0.61274649821881 0.04644036262061 180.948 > 5 9 Ta 0.03478989699583 0.38725350178119 0.95355963737939 180.948 > 9 10 Ta 0.53478989699583 0.38725350178119 0.95355963737939 180.948 > 9 11 Ta 0.03478989699583 0.88725350178119 0.95355963737939 180.948 > 9 12 Ta 0.53478989699583 0.88725350178119 0.95355963737939 180.948 > 9 13 Ta 0.46521010300417 0.13725350178119 0.54644036262061 180.948 > 13 14 Ta 0.96521010300417 0.13725350178119 0.54644036262061 180.948 > 13 15 Ta 0.46521010300417 0.63725350178119 0.54644036262061 180.948 > 13 16 Ta 0.96521010300417 0.63725350178119 0.54644036262061 180.948 > 13 17 Tl 0.29632948601599 0.38676548056641 0.48993052175734 204.383 > 17 18 Tl 0.79632948601599 0.38676548056641 0.48993052175734 204.383 > 17 19 Tl 0.29632948601599 0.88676548056641 0.48993052175734 204.383 > 17 20 Tl 0.79632948601599 0.88676548056641 0.48993052175734 204.383 > 17 21 Tl 0.16776860325714 0.49810029193764 0.72640676899491 204.383 > 21 22 Tl 0.66776860325714 0.49810029193764 0.72640676899491 204.383 > 21 23 Tl 0.16776860325714 0.99810029193764 0.72640676899491 204.383 > 21 24 Tl 0.66776860325714 0.99810029193764 0.72640676899491 204.383 > 21 25 Tl 0.33223139674286 0.00189970806236 0.27359323100509 204.383 > 25 26 Tl 0.83223139674286 0.00189970806236 0.27359323100509 204.383 > 25 27 Tl 0.33223139674286 0.50189970806236 0.27359323100509 204.383 > 25 28 Tl 0.83223139674286 0.50189970806236 0.27359323100509 204.383 > 25 29 Tl 0.20367051398401 0.11323451943359 0.51006947824266 204.383 > 29 30 Tl 0.70367051398401 0.11323451943359 0.51006947824266 204.383 > 29 31 Tl 0.20367051398401 0.61323451943359 0.51006947824266 204.383 > 29 32 Tl 0.70367051398401 0.61323451943359 0.51006947824266 204.383 > 29 33 Tl 0.16776860325714 0.25189970806236 0.22640676899491 204.383 > 33 34 Tl 0.66776860325714 0.25189970806236 0.22640676899491 204.383 > 33 35 Tl 0.16776860325714 0.75189970806236 0.22640676899491 204.383 > 33 36 Tl 0.66776860325714 0.75189970806236 0.22640676899491 204.383 > 33 37 Tl 0.33223139674286 0.24810029193764 0.77359323100509 204.383 > 37 38 Tl 0.83223139674286 0.24810029193764 0.77359323100509 204.383 > 37 39 Tl 0.33223139674286 0.74810029193764 0.77359323100509 204.383 > 37 40 Tl 0.83223139674286 0.74810029193764 0.77359323100509 204.383 > 37 41 Tl 0.29632948601599 0.36323451943359 0.98993052175734 204.383 > 41 42 Tl 0.79632948601599 0.36323451943359 0.98993052175734 204.383 > 41 43 Tl 0.29632948601599 0.86323451943359 0.98993052175734 204.383 > 41 44 Tl 0.79632948601599 0.86323451943359 0.98993052175734 204.383 > 41 45 Tl 0.20367051398401 0.13676548056641 0.01006947824266 204.383 > 45 46 Tl 0.70367051398401 0.13676548056641 0.01006947824266 204.383 > 45 47 Tl 0.20367051398401 0.63676548056641 0.01006947824266 204.383 > 45 48 Tl 0.70367051398401 0.63676548056641 0.01006947824266 204.383 > 45 49 Ag 0.45443959210044 0.24478924730031 0.28500026867819 107.868 > 49 50 Ag 0.95443959210044 0.24478924730031 0.28500026867819 107.868 > 49 51 Ag 0.45443959210044 0.74478924730031 0.28500026867819 107.868 > 49 52 Ag 0.95443959210044 0.74478924730031 0.28500026867819 107.868 > 49 53 Ag 0.04556040789956 0.25521075269969 0.71499973132181 107.868 > 53 54 Ag 0.54556040789956 0.25521075269969 0.71499973132181 107.868 > 53 55 Ag 0.04556040789956 0.75521075269969 0.71499973132181 107.868 > 53 56 Ag 0.54556040789956 0.75521075269969 0.71499973132181 107.868 > 53 57 Ag 0.04556040789956 0.49478924730031 0.21499973132181 107.868 > 57 58 Ag 0.54556040789956 0.49478924730031 0.21499973132181 107.868 > 57 59 Ag 0.04556040789956 0.99478924730031 0.21499973132181 107.868 > 57 60 Ag 0.54556040789956 0.99478924730031 0.21499973132181 107.868 > 57 61 Ag 0.45443959210044 0.00521075269969 0.78500026867819 107.868 > 61 62 Ag 0.95443959210044 0.00521075269969 0.78500026867819 107.868 > 61 63 Ag 0.45443959210044 0.50521075269969 0.78500026867819 107.868 > 61 64 Ag 0.95443959210044 0.50521075269969 0.78500026867819 107.868 > 61 65 S 0.05457897625149 0.38112258048353 0.14759521742171 32.065 > 65 66 S 0.55457897625149 0.38112258048353 0.14759521742171 32.065 > 65 67 S 0.05457897625149 0.88112258048353 0.14759521742171 32.065 > 65 68 S 0.55457897625149 0.88112258048353 0.14759521742171 32.065 > 65 69 S 0.09399272380037 0.46120827945452 0.43843543615039 32.065 > 69 70 S 0.59399272380037 0.46120827945452 0.43843543615039 32.065 > 69 71 S 0.09399272380037 0.96120827945452 0.43843543615039 32.065 > 69 72 S 0.59399272380037 0.96120827945452 0.43843543615039 32.065 > 69 73 S 0.44542102374851 0.13112258048353 0.35240478257829 32.065 > 73 74 S 0.94542102374851 0.13112258048353 0.35240478257829 32.065 > 73 75 S 0.44542102374851 0.63112258048353 0.35240478257829 32.065 > 73 76 S 0.94542102374851 0.63112258048353 0.35240478257829 32.065 > 73 77 S 0.14291262967345 0.15631201027060 0.72131407470887 32.065 > 77 78 S 0.64291262967345 0.15631201027060 0.72131407470887 32.065 > 77 79 S 0.14291262967345 0.65631201027060 0.72131407470887 32.065 > 77 80 S 0.64291262967345 0.65631201027060 0.72131407470887 32.065 > 77 81 S 0.40600727619963 0.21120827945452 0.06156456384961 32.065 > 81 82 S 0.90600727619963 0.21120827945452 0.06156456384961 32.065 > 81 83 S 0.40600727619963 0.71120827945452 0.06156456384961 32.065 > 81 84 S 0.90600727619963 0.71120827945452 0.06156456384961 32.065 > 81 85 S 0.14313322171658 0.46625600900353 0.96920456731191 32.065 > 85 86 S 0.64313322171658 0.46625600900353 0.96920456731191 32.065 > 85 87 S 0.14313322171658 0.96625600900353 0.96920456731191 32.065 > 85 88 S 0.64313322171658 0.96625600900353 0.96920456731191 32.065 > 85 89 S 0.35686677828342 0.21625600900353 0.53079543268809 32.065 > 89 90 S 0.85686677828342 0.21625600900353 0.53079543268809 32.065 > 89 91 S 0.35686677828342 0.71625600900353 0.53079543268809 32.065 > 89 92 S 0.85686677828342 0.71625600900353 0.53079543268809 32.065 > 89 93 S 0.44542102374851 0.11887741951647 0.85240478257830 32.065 > 93 94 S 0.94542102374851 0.11887741951647 0.85240478257830 32.065 > 93 95 S 0.44542102374851 0.61887741951647 0.85240478257830 32.065 > 93 96 S 0.94542102374851 0.61887741951647 0.85240478257830 32.065 > 93 97 S 0.09399272380037 0.28879172054548 0.93843543615039 32.065 > 97 98 S 0.59399272380037 0.28879172054548 0.93843543615039 32.065 > 97 99 S 0.09399272380037 0.78879172054548 0.93843543615039 32.065 > 97 100 S 0.59399272380037 0.78879172054548 0.93843543615039 32.065 > 97 101 S 0.14291262967345 0.09368798972940 0.22131407470888 32.065 > 101 102 S 0.64291262967345 0.09368798972940 0.22131407470888 32.065 > 101 103 S 0.14291262967345 0.59368798972940 0.22131407470888 32.065 > 101 104 S 0.64291262967345 0.59368798972940 0.22131407470888 32.065 > 101 105 S 0.35708737032655 0.40631201027060 0.77868592529113 32.065 > 105 106 S 0.85708737032655 0.40631201027060 0.77868592529113 32.065 > 105 107 S 0.35708737032655 0.90631201027060 0.77868592529113 32.065 > 105 108 S 0.85708737032655 0.90631201027060 0.77868592529113 32.065 > 105 109 S 0.40600727619963 0.03879172054548 0.56156456384961 32.065 > 109 110 S 0.90600727619963 0.03879172054548 0.56156456384961 32.065 > 109 111 S 0.40600727619963 0.53879172054548 0.56156456384961 32.065 > 109 112 S 0.90600727619963 0.53879172054548 0.56156456384961 32.065 > 109 113 S 0.35708737032655 0.34368798972940 0.27868592529113 32.065 > 113 114 S 0.85708737032655 0.34368798972940 0.27868592529113 32.065 > 113 115 S 0.35708737032655 0.84368798972940 0.27868592529113 32.065 > 113 116 S 0.85708737032655 0.84368798972940 0.27868592529113 32.065 > 113 117 S 0.05457897625149 0.36887741951647 0.64759521742170 32.065 > 117 118 S 0.55457897625149 0.36887741951647 0.64759521742170 32.065 > 117 119 S 0.05457897625149 0.86887741951647 0.64759521742170 32.065 > 117 120 S 0.55457897625149 0.86887741951647 0.64759521742170 32.065 > 117 121 S 0.35686677828342 0.03374399099647 0.03079543268809 32.065 > 121 122 S 0.85686677828342 0.03374399099647 0.03079543268809 32.065 > 121 123 S 0.35686677828342 0.53374399099647 0.03079543268809 32.065 > 121 124 S 0.85686677828342 0.53374399099647 0.03079543268809 32.065 > 121 125 S 0.14313322171658 0.28374399099647 0.46920456731191 32.065 > 125 126 S 0.64313322171658 0.28374399099647 0.46920456731191 32.065 > 125 127 S 0.14313322171658 0.78374399099647 0.46920456731191 32.065 > 125 128 S 0.64313322171658 0.78374399099647 0.46920456731191 32.065 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.8758171 0.0000000 -0.3825912 0.0000000 7.7553365 0.0000000 -0.3825905 0.0000000 7.9390308 -------------------------- Born effective charges -------------------------- 1 Ta 2.5741743 -0.0500683 -0.3401982 -0.0264711 2.6345867 0.3921877 -0.2772889 -0.0585082 2.5971241 2 Ta 2.5741743 0.0500683 -0.3401982 0.0264711 2.6345867 -0.3921877 -0.2772889 0.0585082 2.5971241 3 Ta 2.5741743 0.0500683 -0.3401982 0.0264711 2.6345867 -0.3921877 -0.2772889 0.0585082 2.5971241 4 Ta 2.5741743 -0.0500683 -0.3401982 -0.0264711 2.6345867 0.3921877 -0.2772889 -0.0585082 2.5971241 5 Tl 3.0890242 0.0507498 0.1695566 0.1037952 1.6176947 0.1505059 0.0043875 0.2275526 1.9048154 6 Tl 1.8241622 -0.4006523 0.2040506 -0.2635222 2.3597118 0.4813443 0.3087371 0.4781152 2.3599593 7 Tl 1.8241622 -0.4006523 0.2040506 -0.2635222 2.3597118 0.4813443 0.3087371 0.4781152 2.3599593 8 Tl 3.0890242 0.0507498 0.1695566 0.1037952 1.6176947 0.1505059 0.0043875 0.2275526 1.9048154 9 Tl 1.8241622 0.4006523 0.2040506 0.2635222 2.3597118 -0.4813443 0.3087371 -0.4781152 2.3599593 10 Tl 1.8241622 0.4006523 0.2040506 0.2635222 2.3597118 -0.4813443 0.3087371 -0.4781152 2.3599593 11 Tl 3.0890242 -0.0507498 0.1695566 -0.1037952 1.6176947 -0.1505059 0.0043875 -0.2275526 1.9048154 12 Tl 3.0890242 -0.0507498 0.1695566 -0.1037952 1.6176947 -0.1505059 0.0043875 -0.2275526 1.9048154 13 Ag 0.7584418 0.1130139 -0.2414116 -0.0919129 0.6782805 -0.0433491 -0.2163981 -0.1099519 0.8718611 14 Ag 0.7584418 0.1130139 -0.2414116 -0.0919129 0.6782805 -0.0433491 -0.2163981 -0.1099519 0.8718611 15 Ag 0.7584418 -0.1130139 -0.2414116 0.0919129 0.6782805 0.0433491 -0.2163981 0.1099519 0.8718611 16 Ag 0.7584418 -0.1130139 -0.2414116 0.0919129 0.6782805 0.0433491 -0.2163981 0.1099519 0.8718611 17 S -1.8143240 0.2081426 1.3121780 0.0505618 -1.0151208 0.3374209 1.1198037 0.0387009 -2.9436879 18 S -1.9517727 -0.9333307 0.1711730 -0.7540645 -2.8939410 0.1553461 0.1880503 0.4233092 -1.2775685 19 S -1.8143240 -0.2081426 1.3121780 -0.0505618 -1.0151208 -0.3374209 1.1198037 -0.0387009 -2.9436879 20 S -1.9899793 -0.1102554 -0.8798233 -0.1897753 -1.3677761 -0.4700487 -0.9565665 -0.2203437 -2.4301328 21 S -1.9517727 0.9333307 0.1711730 0.7540645 -2.8939410 -0.1553461 0.1880503 -0.4233092 -1.2775685 22 S -2.4897265 -1.0623727 -0.3955250 -1.0691963 -2.0134359 -0.1162176 -0.1707251 -0.0772119 -1.0823708 23 S -2.4897265 1.0623727 -0.3955250 1.0691963 -2.0134359 0.1162176 -0.1707251 0.0772119 -1.0823708 24 S -1.8143240 0.2081426 1.3121780 0.0505618 -1.0151208 0.3374209 1.1198037 0.0387009 -2.9436879 25 S -1.9517727 0.9333307 0.1711730 0.7540645 -2.8939410 -0.1553461 0.1880503 -0.4233092 -1.2775685 26 S -1.9899793 0.1102554 -0.8798233 0.1897753 -1.3677761 0.4700487 -0.9565665 0.2203437 -2.4301328 27 S -1.9899793 0.1102554 -0.8798233 0.1897753 -1.3677761 0.4700487 -0.9565665 0.2203437 -2.4301328 28 S -1.9517727 -0.9333307 0.1711730 -0.7540645 -2.8939410 0.1553461 0.1880503 0.4233092 -1.2775685 29 S -1.9899793 -0.1102554 -0.8798233 -0.1897753 -1.3677761 -0.4700487 -0.9565665 -0.2203437 -2.4301328 30 S -1.8143240 -0.2081426 1.3121780 -0.0505618 -1.0151208 -0.3374209 1.1198037 -0.0387009 -2.9436879 31 S -2.4897265 -1.0623727 -0.3955250 -1.0691963 -2.0134359 -0.1162176 -0.1707251 -0.0772119 -1.0823708 32 S -2.4897265 1.0623727 -0.3955250 1.0691963 -2.0134359 0.1162176 -0.1707251 0.0772119 -1.0823708 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 5 5 ] 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: 0.45, Number of G-points: 319, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.579 ( 0.000 0.000 0.000) 0.000 0.630 ( 0.000 0.000 0.000) 0.000 0.691 ( 0.000 0.000 0.000) 0.000 0.753 ( 0.000 0.000 0.000) 0.000 0.768 ( 0.000 0.000 0.000) 0.000 0.771 ( 0.000 0.000 0.000) 0.000 0.816 ( 0.000 0.000 0.000) 0.000 0.881 ( 0.000 0.000 0.000) 0.000 0.916 ( 0.000 0.000 0.000) 0.000 0.952 ( 0.000 0.000 0.000) 0.000 0.958 ( 0.000 0.000 0.000) 0.000 0.984 ( 0.000 0.000 0.000) 0.000 0.997 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.026 ( 0.000 0.000 0.000) 0.000 1.079 ( 0.000 0.000 0.000) 0.000 1.095 ( 0.000 0.000 0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.203 ( 0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.280 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 0.000) 0.000 1.480 ( 0.000 0.000 0.000) 0.000 1.506 ( 0.000 0.000 0.000) 0.000 1.601 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.636 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.868 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.604 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.433 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.518 ( 0.000 0.000 0.000) 0.000 3.525 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.740 ( 0.000 0.000 0.000) 0.000 3.832 ( 0.000 0.000 0.000) 0.000 4.316 ( 0.000 0.000 0.000) 0.000 4.319 ( 0.000 0.000 0.000) 0.000 4.387 ( 0.000 0.000 0.000) 0.000 4.391 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.607 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 5.371 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.907 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 6.963 ( 0.000 0.000 0.000) 0.000 7.077 ( 0.000 0.000 0.000) 0.000 7.090 ( 0.000 0.000 0.000) 0.000 11.593 ( 0.000 0.000 0.000) 0.000 11.639 ( 0.000 0.000 0.000) 0.000 11.717 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.780 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 11.824 ( 0.000 0.000 0.000) 0.000 12.096 ( 0.000 0.000 0.000) 0.000 12.154 ( 0.000 0.000 0.000) 0.000 12.204 ( 0.000 0.000 0.000) 0.000 12.253 ( 0.000 0.000 0.000) 0.000 12.308 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.827 ( 0.000 0.000 0.000) 0.000 12.833 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( 2.417 0.000 13.848) 14.057 0.224 ( 8.568 0.000 6.468) 10.735 0.498 ( 18.124 0.000 10.594) 20.993 0.606 ( 4.310 0.000 0.851) 4.393 0.652 ( 2.418 0.000 0.461) 2.461 0.669 ( 2.384 0.000 -3.509) 4.242 0.747 ( -0.516 0.000 -2.349) 2.405 0.770 ( -1.570 0.000 2.307) 2.791 0.784 ( 0.202 0.000 2.766) 2.774 0.832 ( 1.191 0.000 0.972) 1.537 0.862 ( -2.390 0.000 -2.382) 3.374 0.868 ( -0.934 0.000 -1.163) 1.492 0.940 ( -1.331 0.000 -0.263) 1.356 0.960 ( -0.066 0.000 0.010) 0.067 0.974 ( 0.092 0.000 -0.436) 0.446 0.989 ( -1.074 0.000 -1.952) 2.228 1.026 ( 1.560 0.000 -1.354) 2.066 1.040 ( 3.389 0.000 -0.629) 3.447 1.061 ( 0.143 0.000 -3.304) 3.308 1.091 ( 1.804 0.000 -1.367) 2.263 1.130 ( 1.100 0.000 -1.883) 2.180 1.229 ( 0.318 0.000 2.023) 2.048 1.231 ( 0.312 0.000 1.964) 1.988 1.278 ( -0.123 0.000 0.290) 0.315 1.278 ( 1.209 0.000 -1.601) 2.006 1.351 ( -0.856 0.000 3.385) 3.492 1.436 ( -0.223 0.000 2.509) 2.519 1.476 ( -0.081 0.000 -0.296) 0.306 1.543 ( -0.376 0.000 2.648) 2.675 1.612 ( 0.278 0.000 1.462) 1.488 1.615 ( 0.351 0.000 0.951) 1.014 1.640 ( 0.680 0.000 2.598) 2.685 1.736 ( 0.822 0.000 2.295) 2.438 1.800 ( -1.302 0.000 -0.497) 1.394 1.839 ( 0.156 0.000 -2.387) 2.392 1.869 ( -0.357 0.000 1.036) 1.095 1.906 ( 0.623 0.000 -2.001) 2.096 1.920 ( 0.408 0.000 -3.153) 3.179 1.981 ( 3.643 0.000 -1.193) 3.833 2.065 ( 1.579 0.000 -2.535) 2.986 2.107 ( -1.346 0.000 0.642) 1.491 2.147 ( -1.358 0.000 3.376) 3.639 2.215 ( -0.668 0.000 -1.014) 1.214 2.527 ( 2.264 0.000 -6.516) 6.898 2.635 ( 1.886 0.000 1.632) 2.493 2.780 ( 0.733 0.000 1.421) 1.599 2.886 ( -1.465 0.000 -1.647) 2.204 2.954 ( -1.412 0.000 -0.037) 1.413 3.359 ( -0.755 0.000 0.578) 0.951 3.426 ( -0.557 0.000 -0.410) 0.692 3.454 ( -0.004 0.000 -0.653) 0.653 3.536 ( -0.945 0.000 1.981) 2.195 3.588 ( 3.536 0.000 2.719) 4.460 3.719 ( -0.269 0.000 -1.471) 1.495 3.746 ( -0.097 0.000 1.220) 1.224 3.888 ( -1.145 0.000 -1.108) 1.593 4.303 ( -0.486 0.000 -1.157) 1.254 4.335 ( 0.959 0.000 0.728) 1.204 4.374 ( -0.200 0.000 -2.255) 2.264 4.395 ( 0.225 0.000 0.744) 0.778 4.420 ( 0.699 0.000 -1.805) 1.936 4.597 ( -1.166 0.000 -0.687) 1.353 4.651 ( -2.314 0.000 -2.456) 3.374 4.695 ( -0.493 0.000 -1.071) 1.179 5.409 ( 2.376 0.000 -3.494) 4.225 5.484 ( 3.240 0.000 1.498) 3.570 5.515 ( -2.088 0.000 -0.179) 2.096 5.592 ( 2.386 0.000 -2.153) 3.214 5.690 ( -1.486 0.000 1.478) 2.096 5.735 ( 0.246 0.000 -0.520) 0.576 6.149 ( 0.131 0.000 0.122) 0.179 6.158 ( 0.594 0.000 0.371) 0.700 6.494 ( 0.202 0.000 -0.378) 0.428 6.518 ( -0.327 0.000 0.297) 0.442 6.837 ( 0.141 0.000 -0.233) 0.273 6.943 ( -2.474 0.000 2.962) 3.859 6.953 ( -0.105 0.000 0.782) 0.790 6.966 ( 0.058 0.000 0.386) 0.390 7.067 ( -0.418 0.000 -1.278) 1.345 7.088 ( -0.749 0.000 0.482) 0.890 11.598 ( 0.307 0.000 0.302) 0.431 11.636 ( -0.205 0.000 -0.359) 0.413 11.752 ( -1.959 0.000 3.022) 3.602 11.766 ( -0.533 0.000 -1.235) 1.345 11.782 ( 1.859 0.000 0.497) 1.924 11.826 ( 0.468 0.000 -0.312) 0.563 12.058 ( -3.501 0.000 0.581) 3.549 12.152 ( -0.067 0.000 -0.334) 0.340 12.200 ( -4.345 0.000 0.752) 4.410 12.217 ( -1.441 0.000 2.998) 3.326 12.330 ( 11.325 0.000 -15.248) 18.993 12.384 ( 5.909 0.000 0.988) 5.991 12.730 ( -3.648 0.000 5.193) 6.346 12.751 ( 0.163 0.000 -0.052) 0.171 12.825 ( -0.203 0.000 0.006) 0.203 12.831 ( -0.752 0.000 0.798) 1.096 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( 1.866 0.000 8.892) 9.085 0.419 ( 6.818 0.000 4.361) 8.094 0.639 ( 3.433 0.000 1.350) 3.689 0.692 ( 0.352 0.000 -1.233) 1.283 0.699 ( 2.389 0.000 0.375) 2.418 0.717 ( 4.932 0.000 -4.117) 6.424 0.752 ( -0.993 0.000 2.350) 2.551 0.818 ( -1.975 0.000 1.841) 2.700 0.820 ( 0.183 0.000 1.811) 1.821 0.822 ( -1.255 0.000 -0.257) 1.281 0.839 ( -0.301 0.000 1.270) 1.305 0.910 ( -1.802 0.000 -0.903) 2.015 0.925 ( 2.588 0.000 3.790) 4.590 0.950 ( 3.562 0.000 0.031) 3.562 0.975 ( 0.825 0.000 -1.260) 1.506 1.008 ( 1.587 0.000 -1.023) 1.888 1.013 ( 2.302 0.000 -1.210) 2.601 1.067 ( 0.712 0.000 -0.292) 0.769 1.068 ( 8.279 0.000 3.048) 8.822 1.114 ( 2.708 0.000 -2.803) 3.897 1.120 ( 0.508 0.000 -1.595) 1.674 1.225 ( 0.241 0.000 -2.119) 2.132 1.248 ( -0.755 0.000 1.133) 1.361 1.303 ( 0.262 0.000 2.505) 2.518 1.307 ( 5.447 0.000 -2.323) 5.922 1.369 ( -1.400 0.000 2.671) 3.015 1.452 ( -1.664 0.000 1.404) 2.177 1.482 ( 0.374 0.000 1.759) 1.798 1.573 ( 1.188 0.000 0.928) 1.507 1.635 ( -0.073 0.000 1.789) 1.790 1.658 ( 2.083 0.000 3.158) 3.783 1.673 ( -0.347 0.000 2.212) 2.239 1.765 ( 0.532 0.000 0.476) 0.714 1.794 ( -0.175 0.000 -4.519) 4.523 1.810 ( -0.670 0.000 3.388) 3.453 1.851 ( -1.740 0.000 -2.622) 3.147 1.890 ( 2.830 0.000 -3.918) 4.833 1.921 ( 0.843 0.000 3.373) 3.477 2.016 ( 2.710 0.000 -2.125) 3.444 2.061 ( 1.766 0.000 -2.842) 3.346 2.097 ( -1.844 0.000 1.962) 2.693 2.159 ( -1.721 0.000 0.808) 1.901 2.189 ( -1.852 0.000 2.289) 2.944 2.469 ( -1.225 0.000 -3.878) 4.067 2.702 ( 1.718 0.000 3.864) 4.229 2.806 ( 0.253 0.000 1.326) 1.350 2.836 ( -2.158 0.000 -1.364) 2.553 2.917 ( -2.364 0.000 -0.887) 2.525 3.359 ( -0.266 0.000 1.058) 1.091 3.410 ( -0.696 0.000 -0.338) 0.774 3.457 ( 0.435 0.000 -0.165) 0.465 3.550 ( -0.243 0.000 1.685) 1.703 3.679 ( 3.287 0.000 2.834) 4.340 3.695 ( -0.123 0.000 -1.720) 1.724 3.771 ( 0.883 0.000 1.911) 2.106 3.836 ( -2.537 0.000 -2.386) 3.483 4.281 ( -0.172 0.000 -1.320) 1.332 4.341 ( -0.414 0.000 -2.104) 2.144 4.349 ( 0.278 0.000 -0.134) 0.309 4.403 ( 0.570 0.000 -2.341) 2.409 4.427 ( 1.318 0.000 2.017) 2.409 4.555 ( -3.023 0.000 -0.448) 3.056 4.571 ( -3.011 0.000 -3.026) 4.268 4.661 ( -1.026 0.000 -2.219) 2.445 5.407 ( 0.831 0.000 -1.072) 1.356 5.488 ( -0.808 0.000 -0.272) 0.853 5.567 ( 3.423 0.000 2.763) 4.399 5.588 ( 1.087 0.000 -3.078) 3.264 5.689 ( 0.034 0.000 0.458) 0.459 5.729 ( 0.121 0.000 -1.046) 1.053 6.154 ( 0.099 0.000 0.410) 0.422 6.176 ( 0.957 0.000 0.386) 1.032 6.493 ( 0.340 0.000 -0.481) 0.589 6.516 ( -0.474 0.000 0.395) 0.617 6.839 ( 0.501 0.000 -0.166) 0.528 6.939 ( -1.274 0.000 1.253) 1.787 6.962 ( -0.504 0.000 1.404) 1.492 6.973 ( 0.293 0.000 0.217) 0.364 7.039 ( -0.712 0.000 -1.658) 1.804 7.077 ( -1.129 0.000 0.148) 1.138 11.608 ( 0.427 0.000 0.200) 0.472 11.619 ( -0.914 0.000 -0.907) 1.287 11.741 ( 0.074 0.000 -2.059) 2.060 11.764 ( -0.337 0.000 1.748) 1.781 11.824 ( 2.253 0.000 0.627) 2.338 11.835 ( 0.962 0.000 0.154) 0.974 12.011 ( -1.928 0.000 -0.766) 2.075 12.115 ( -3.904 0.000 -0.443) 3.929 12.176 ( 0.021 0.000 0.669) 0.670 12.214 ( -2.337 0.000 1.245) 2.648 12.329 ( 5.310 0.000 -6.210) 8.171 12.497 ( 5.805 0.000 1.737) 6.059 12.733 ( -1.778 0.000 2.081) 2.737 12.750 ( -0.298 0.000 -0.168) 0.342 12.823 ( -0.052 0.000 0.178) 0.186 12.831 ( -0.856 0.000 1.320) 1.573 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( 1.266 0.000 3.662) 3.875 0.519 ( 1.977 0.000 -0.192) 1.986 0.687 ( 0.455 0.000 2.348) 2.391 0.695 ( 2.008 0.000 -0.746) 2.142 0.717 ( -0.577 0.000 1.875) 1.962 0.740 ( 1.498 0.000 -2.447) 2.869 0.760 ( 1.024 0.000 -2.246) 2.468 0.799 ( -0.478 0.000 0.024) 0.479 0.825 ( -0.427 0.000 1.232) 1.304 0.838 ( -0.024 0.000 0.037) 0.044 0.860 ( -0.718 0.000 4.743) 4.797 0.869 ( -1.483 0.000 -0.162) 1.492 0.943 ( 0.143 0.000 0.209) 0.253 0.983 ( 0.959 0.000 1.219) 1.551 0.998 ( 0.693 0.000 -0.747) 1.019 1.028 ( 2.150 0.000 1.224) 2.474 1.056 ( 0.132 0.000 1.434) 1.440 1.086 ( 2.149 0.000 -2.163) 3.050 1.108 ( 4.278 0.000 -1.559) 4.553 1.108 ( -0.499 0.000 -0.024) 0.499 1.164 ( 0.361 0.000 -2.880) 2.903 1.245 ( 0.138 0.000 -0.585) 0.601 1.295 ( 4.116 0.000 1.746) 4.471 1.328 ( -0.879 0.000 1.976) 2.163 1.347 ( 1.895 0.000 -2.647) 3.256 1.410 ( 3.511 0.000 3.197) 4.748 1.449 ( 0.265 0.000 1.381) 1.406 1.516 ( 0.528 0.000 2.075) 2.141 1.604 ( 1.568 0.000 0.613) 1.683 1.655 ( 0.186 0.000 1.304) 1.317 1.687 ( -0.762 0.000 1.783) 1.939 1.730 ( -0.994 0.000 -3.116) 3.271 1.735 ( 1.676 0.000 0.609) 1.783 1.775 ( 0.073 0.000 -1.270) 1.272 1.810 ( 0.767 0.000 -0.005) 0.767 1.817 ( -0.120 0.000 1.871) 1.875 1.914 ( 2.485 0.000 -0.829) 2.619 1.984 ( 0.262 0.000 4.271) 4.279 2.020 ( 2.134 0.000 -2.570) 3.340 2.022 ( -2.104 0.000 -3.492) 4.077 2.091 ( -0.821 0.000 0.273) 0.866 2.143 ( 1.190 0.000 -0.899) 1.491 2.211 ( -1.373 0.000 3.886) 4.121 2.400 ( -2.762 0.000 -1.732) 3.260 2.762 ( 0.599 0.000 1.868) 1.961 2.793 ( -1.653 0.000 -0.382) 1.697 2.825 ( 0.305 0.000 1.488) 1.519 2.867 ( -2.056 0.000 -1.133) 2.348 3.375 ( 0.461 0.000 0.948) 1.054 3.401 ( -0.267 0.000 0.168) 0.316 3.453 ( -0.508 0.000 -0.242) 0.563 3.565 ( -0.089 0.000 0.951) 0.956 3.678 ( 0.276 0.000 -1.064) 1.099 3.757 ( 2.508 0.000 2.256) 3.373 3.762 ( -2.664 0.000 -2.096) 3.389 3.809 ( 0.888 0.000 1.157) 1.459 4.267 ( 0.033 0.000 -0.796) 0.797 4.315 ( -0.024 0.000 -1.469) 1.469 4.350 ( 0.117 0.000 0.170) 0.206 4.387 ( 0.812 0.000 -1.803) 1.977 4.442 ( -0.976 0.000 -1.933) 2.166 4.499 ( -3.118 0.000 -0.247) 3.128 4.525 ( 0.133 0.000 1.405) 1.412 4.615 ( -1.132 0.000 -2.427) 2.678 5.408 ( 0.271 0.000 -0.288) 0.396 5.486 ( 0.458 0.000 0.422) 0.623 5.556 ( -0.317 0.000 -2.793) 2.811 5.642 ( 1.428 0.000 2.478) 2.860 5.706 ( 1.455 0.000 0.119) 1.460 5.714 ( -0.144 0.000 -1.163) 1.171 6.161 ( 0.019 0.000 0.425) 0.426 6.194 ( 0.740 0.000 0.197) 0.766 6.494 ( 0.368 0.000 -0.337) 0.499 6.512 ( -0.429 0.000 0.287) 0.516 6.850 ( 0.843 0.000 0.128) 0.852 6.933 ( -0.893 0.000 0.530) 1.038 6.969 ( -0.731 0.000 1.382) 1.564 6.979 ( 0.453 0.000 -0.257) 0.521 7.007 ( -0.702 0.000 -1.354) 1.526 7.060 ( -0.859 0.000 -0.024) 0.859 11.591 ( -0.896 0.000 -0.878) 1.255 11.615 ( 0.302 0.000 0.029) 0.303 11.721 ( 0.388 0.000 -1.668) 1.713 11.780 ( 0.160 0.000 0.848) 0.862 11.859 ( 1.021 0.000 0.398) 1.095 11.862 ( 1.698 0.000 0.714) 1.842 11.988 ( -0.176 0.000 -0.155) 0.234 12.043 ( -3.788 0.000 -0.687) 3.849 12.183 ( -1.870 0.000 -0.234) 1.885 12.190 ( 0.510 0.000 0.425) 0.663 12.341 ( 2.338 0.000 -2.134) 3.166 12.599 ( 4.311 0.000 1.388) 4.529 12.726 ( -1.078 0.000 0.701) 1.286 12.735 ( -1.265 0.000 -0.210) 1.282 12.827 ( 0.086 0.000 0.229) 0.245 12.837 ( -0.342 0.000 1.090) 1.142 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 0.000 0.000 0.000) 0.000 0.533 ( 0.000 0.000 0.000) 0.000 0.697 ( -0.000 0.000 0.000) 0.000 0.718 ( 0.000 0.000 0.000) 0.000 0.732 ( 0.000 0.000 0.000) 0.000 0.745 ( -0.000 0.000 0.000) 0.000 0.750 ( 0.000 0.000 0.000) 0.000 0.794 ( 0.000 0.000 0.000) 0.000 0.798 ( 0.000 0.000 0.000) 0.000 0.847 ( 0.000 0.000 -0.000) 0.000 0.862 ( -0.000 0.000 0.000) 0.000 0.900 ( 0.000 0.000 0.000) 0.000 0.937 ( 0.000 0.000 0.000) 0.000 1.001 ( 0.000 0.000 0.000) 0.000 1.024 ( 0.000 0.000 0.000) 0.000 1.043 ( 0.000 0.000 -0.000) 0.000 1.057 ( 0.000 0.000 0.000) 0.000 1.062 ( 0.000 0.000 0.000) 0.000 1.107 ( 0.000 0.000 -0.000) 0.000 1.140 ( 0.000 0.000 0.000) 0.000 1.191 ( 0.000 0.000 0.000) 0.000 1.228 ( -0.000 0.000 -0.000) 0.000 1.325 ( -0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 0.000) 0.000 1.331 ( 0.000 0.000 0.000) 0.000 1.469 ( 0.000 0.000 0.000) 0.000 1.474 ( -0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.665 ( -0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 -0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.756 ( -0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 2.017 ( -0.000 0.000 0.000) 0.000 2.025 ( 0.000 0.000 -0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.153 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.773 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.842 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.444 ( -0.000 0.000 0.000) 0.000 3.569 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.721 ( 0.000 0.000 0.000) 0.000 3.801 ( -0.000 0.000 -0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.305 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.384 ( 0.000 0.000 0.000) 0.000 4.407 ( 0.000 0.000 -0.000) 0.000 4.468 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 4.569 ( -0.000 0.000 -0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.503 ( 0.000 0.000 0.000) 0.000 5.524 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 6.164 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.495 ( -0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 6.927 ( 0.000 0.000 0.000) 0.000 6.972 ( 0.000 0.000 0.000) 0.000 6.980 ( -0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.618 ( 0.000 0.000 0.000) 0.000 11.714 ( 0.000 0.000 0.000) 0.000 11.787 ( 0.000 0.000 0.000) 0.000 11.868 ( 0.000 0.000 0.000) 0.000 11.888 ( 0.000 0.000 0.000) 0.000 11.990 ( 0.000 0.000 0.000) 0.000 12.000 ( 0.000 0.000 0.000) 0.000 12.163 ( 0.000 0.000 0.000) 0.000 12.197 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 12.651 ( 0.000 0.000 0.000) 0.000 12.716 ( 0.000 0.000 0.000) 0.000 12.721 ( 0.000 0.000 0.000) 0.000 12.829 ( 0.000 0.000 0.000) 0.000 12.842 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 0.000 11.780 0.000) 11.780 0.246 ( 0.000 12.100 0.000) 12.100 0.483 ( 0.000 19.772 0.000) 19.772 0.613 ( 0.000 2.950 0.000) 2.950 0.617 ( 0.000 0.293 0.000) 0.293 0.679 ( 0.000 -1.509 0.000) 1.509 0.755 ( 0.000 -0.543 0.000) 0.543 0.782 ( 0.000 1.357 0.000) 1.357 0.786 ( 0.000 0.850 0.000) 0.850 0.820 ( 0.000 0.290 0.000) 0.290 0.860 ( 0.000 -2.972 0.000) 2.972 0.861 ( 0.000 -1.215 0.000) 1.215 0.908 ( 0.000 -4.031 0.000) 4.031 0.987 ( 0.000 0.913 0.000) 0.913 0.991 ( 0.000 3.202 0.000) 3.202 1.005 ( 0.000 0.867 0.000) 0.867 1.029 ( 0.000 1.480 0.000) 1.480 1.065 ( 0.000 -0.960 0.000) 0.960 1.087 ( 0.000 -1.044 0.000) 1.044 1.101 ( 0.000 2.472 0.000) 2.472 1.160 ( 0.000 -1.906 0.000) 1.906 1.163 ( 0.000 3.096 0.000) 3.096 1.254 ( 0.000 -1.469 0.000) 1.469 1.277 ( 0.000 3.324 0.000) 3.324 1.287 ( 0.000 0.626 0.000) 0.626 1.366 ( 0.000 -4.491 0.000) 4.491 1.384 ( 0.000 2.560 0.000) 2.560 1.460 ( 0.000 -0.452 0.000) 0.452 1.572 ( 0.000 4.051 0.000) 4.051 1.596 ( 0.000 -0.941 0.000) 0.941 1.606 ( 0.000 0.669 0.000) 0.669 1.654 ( 0.000 0.955 0.000) 0.955 1.713 ( 0.000 -0.601 0.000) 0.601 1.752 ( 0.000 -4.964 0.000) 4.964 1.803 ( 0.000 -1.784 0.000) 1.784 1.861 ( 0.000 -2.867 0.000) 2.867 1.895 ( 0.000 -0.404 0.000) 0.404 1.909 ( 0.000 -1.493 0.000) 1.493 1.985 ( 0.000 -1.102 0.000) 1.102 2.009 ( 0.000 2.359 0.000) 2.359 2.069 ( 0.000 -0.047 0.000) 0.047 2.129 ( 0.000 1.911 0.000) 1.911 2.177 ( 0.000 -1.555 0.000) 1.555 2.235 ( 0.000 0.526 0.000) 0.526 2.606 ( 0.000 0.315 0.000) 0.315 2.727 ( 0.000 -3.008 0.000) 3.008 2.924 ( 0.000 1.311 0.000) 1.311 3.000 ( 0.000 0.093 0.000) 0.093 3.381 ( 0.000 -1.986 0.000) 1.986 3.435 ( 0.000 -2.880 0.000) 2.880 3.475 ( 0.000 1.962 0.000) 1.962 3.529 ( 0.000 0.404 0.000) 0.404 3.573 ( 0.000 2.518 0.000) 2.518 3.727 ( 0.000 -1.318 0.000) 1.318 3.751 ( 0.000 1.817 0.000) 1.817 3.833 ( 0.000 0.009 0.000) 0.009 4.315 ( 0.000 -0.027 0.000) 0.027 4.322 ( 0.000 0.237 0.000) 0.237 4.378 ( 0.000 -0.800 0.000) 0.800 4.396 ( 0.000 -0.615 0.000) 0.615 4.438 ( 0.000 1.490 0.000) 1.490 4.590 ( 0.000 -1.804 0.000) 1.804 4.689 ( 0.000 -0.654 0.000) 0.654 4.694 ( 0.000 -0.748 0.000) 0.748 5.341 ( 0.000 -2.310 0.000) 2.310 5.418 ( 0.000 -2.593 0.000) 2.593 5.496 ( 0.000 -4.179 0.000) 4.179 5.525 ( 0.000 -3.577 0.000) 3.577 5.739 ( 0.000 4.127 0.000) 4.127 5.787 ( 0.000 3.282 0.000) 3.282 6.154 ( 0.000 0.519 0.000) 0.519 6.154 ( 0.000 0.297 0.000) 0.297 6.527 ( 0.000 2.915 0.000) 2.915 6.607 ( 0.000 1.075 0.000) 1.075 6.862 ( 0.000 2.315 0.000) 2.315 6.923 ( 0.000 1.362 0.000) 1.362 6.961 ( 0.000 0.009 0.000) 0.009 6.986 ( 0.000 -0.881 0.000) 0.881 7.065 ( 0.000 -1.203 0.000) 1.203 7.081 ( 0.000 -0.926 0.000) 0.926 11.604 ( 0.000 1.055 0.000) 1.055 11.701 ( 0.000 -1.504 0.000) 1.504 11.744 ( 0.000 -0.410 0.000) 0.410 11.767 ( 0.000 -0.914 0.000) 0.914 11.782 ( 0.000 1.368 0.000) 1.368 11.818 ( 0.000 0.637 0.000) 0.637 12.093 ( 0.000 0.020 0.000) 0.020 12.175 ( 0.000 -2.048 0.000) 2.048 12.177 ( 0.000 1.861 0.000) 1.861 12.226 ( 0.000 0.236 0.000) 0.236 12.306 ( 0.000 -0.073 0.000) 0.073 12.314 ( 0.000 0.193 0.000) 0.193 12.676 ( 0.000 0.360 0.000) 0.360 12.736 ( 0.000 -1.262 0.000) 1.262 12.831 ( 0.000 0.292 0.000) 0.292 12.833 ( 0.000 0.042 0.000) 0.042 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.302 ( 4.944 8.612 2.845) 10.330 0.361 ( 5.076 7.012 5.573) 10.295 0.610 ( 3.319 -1.630 1.005) 3.831 0.632 ( 3.322 1.696 -0.140) 3.733 0.645 ( 5.535 10.092 3.498) 12.030 0.679 ( 3.503 0.445 -1.560) 3.860 0.734 ( -0.525 -0.649 0.614) 1.037 0.792 ( -0.425 1.012 0.633) 1.267 0.797 ( 0.280 1.582 2.451) 2.931 0.842 ( -0.490 0.590 0.834) 1.133 0.847 ( -0.307 -0.783 -0.393) 0.928 0.858 ( 1.587 0.075 -1.488) 2.177 0.908 ( 0.885 -3.503 0.021) 3.614 0.955 ( -0.169 0.110 -0.684) 0.713 0.979 ( -0.384 2.886 -0.606) 2.974 0.993 ( -1.245 -0.501 -1.118) 1.747 1.039 ( 0.139 0.711 -1.208) 1.409 1.067 ( 0.985 1.410 -2.298) 2.870 1.079 ( 0.911 1.825 -1.294) 2.415 1.097 ( 2.587 -0.193 -1.104) 2.819 1.160 ( 0.696 2.435 -1.059) 2.745 1.215 ( 1.407 -0.672 3.434) 3.771 1.227 ( 0.214 -1.779 -0.952) 2.029 1.275 ( -0.293 3.373 0.433) 3.413 1.307 ( -0.713 1.275 2.862) 3.213 1.389 ( 0.305 2.729 1.424) 3.094 1.422 ( -0.165 -2.218 3.623) 4.251 1.468 ( 0.229 0.114 0.831) 0.870 1.573 ( -0.722 2.454 0.324) 2.578 1.586 ( 0.623 -2.278 0.927) 2.537 1.620 ( -0.252 0.491 1.262) 1.377 1.653 ( 0.176 0.523 2.077) 2.149 1.726 ( -0.114 -0.935 1.109) 1.455 1.788 ( -0.901 -2.813 -0.415) 2.982 1.805 ( 3.909 -3.608 -2.993) 6.104 1.857 ( -1.218 0.268 0.654) 1.408 1.879 ( 1.190 -2.660 -1.126) 3.124 1.916 ( -0.887 0.194 -0.863) 1.253 1.982 ( 3.800 0.523 -1.776) 4.227 2.043 ( -0.997 -1.363 -0.304) 1.716 2.101 ( 2.031 -1.364 0.844) 2.588 2.156 ( -2.013 0.267 1.988) 2.842 2.197 ( 0.986 -1.285 -0.559) 1.713 2.324 ( 6.921 -8.179 2.437) 10.988 2.633 ( 1.403 -0.024 2.216) 2.623 2.737 ( 0.204 -3.434 1.191) 3.640 2.914 ( -1.039 1.782 -0.534) 2.131 2.972 ( -2.230 0.599 -0.996) 2.515 3.375 ( -0.588 -1.165 -0.020) 1.305 3.424 ( -1.024 -1.629 -0.551) 2.001 3.439 ( -0.720 1.884 -0.560) 2.094 3.532 ( -0.312 -0.286 0.727) 0.841 3.618 ( 2.753 2.395 2.158) 4.239 3.729 ( -0.526 0.528 -0.235) 0.781 3.748 ( 0.781 0.370 0.119) 0.873 3.857 ( 0.163 -1.885 -0.074) 1.893 4.303 ( -0.022 0.137 -1.563) 1.569 4.338 ( 1.051 0.269 0.757) 1.323 4.368 ( 0.383 -0.715 -2.299) 2.438 4.394 ( 0.086 -0.746 -0.000) 0.750 4.426 ( -1.108 1.375 -0.080) 1.768 4.579 ( -1.264 -1.776 -0.286) 2.198 4.651 ( -2.056 -0.111 -2.447) 3.198 4.684 ( -0.638 -1.041 -1.319) 1.797 5.354 ( 1.244 -3.343 -0.730) 3.641 5.440 ( 1.214 -4.352 0.653) 4.565 5.490 ( 0.917 -2.056 -0.200) 2.260 5.538 ( 1.594 -3.467 -0.910) 3.923 5.739 ( -0.068 3.689 -0.098) 3.691 5.783 ( -0.143 3.273 -0.336) 3.293 6.155 ( 0.152 0.477 -0.004) 0.500 6.160 ( 0.438 0.181 0.389) 0.613 6.525 ( 0.176 2.879 -0.386) 2.910 6.575 ( -1.436 3.250 -0.888) 3.662 6.860 ( 0.076 2.200 -0.344) 2.228 6.937 ( -0.326 0.676 1.909) 2.052 6.961 ( -0.489 -0.192 0.534) 0.749 6.969 ( -1.026 0.019 0.069) 1.029 7.054 ( -0.314 -1.127 -1.156) 1.645 7.080 ( -0.707 -0.909 0.500) 1.255 11.602 ( 0.048 0.935 0.112) 0.943 11.691 ( -0.444 2.567 -1.748) 3.137 11.716 ( -1.121 -1.718 0.715) 2.172 11.775 ( 0.882 0.473 0.762) 1.258 11.799 ( 0.183 1.040 0.395) 1.127 11.824 ( 0.691 -0.652 -0.515) 1.080 12.046 ( -4.313 -0.664 1.131) 4.508 12.140 ( -1.465 -2.336 -0.739) 2.855 12.184 ( -2.704 1.062 0.697) 2.987 12.230 ( -0.719 0.452 2.154) 2.315 12.329 ( 7.562 0.199 -7.062) 10.348 12.382 ( 5.823 -0.398 0.035) 5.836 12.701 ( -0.748 -1.254 3.316) 3.623 12.738 ( 0.243 -1.212 0.024) 1.236 12.829 ( -0.302 0.310 -0.005) 0.433 12.832 ( -0.664 0.037 0.740) 0.995 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 4.219 4.069 4.555) 7.423 0.483 ( 3.042 3.723 3.698) 6.065 0.629 ( 0.410 -1.730 -1.055) 2.067 0.664 ( 2.481 -1.883 -0.423) 3.143 0.696 ( 1.527 0.221 -0.193) 1.555 0.729 ( 1.584 -0.031 0.115) 1.588 0.760 ( 2.611 1.070 -2.365) 3.682 0.801 ( -2.575 -0.595 1.953) 3.286 0.820 ( -0.973 0.250 1.298) 1.641 0.844 ( -0.024 1.963 2.419) 3.116 0.853 ( 0.170 0.742 1.387) 1.582 0.924 ( 1.643 -0.848 2.421) 3.046 0.926 ( 0.750 -1.007 -2.141) 2.482 0.962 ( 1.877 2.965 0.399) 3.532 0.973 ( 1.095 -0.079 -1.540) 1.892 1.001 ( 2.087 -0.006 -0.342) 2.115 1.012 ( 2.061 1.175 -1.544) 2.831 1.054 ( 0.294 -0.393 -0.679) 0.838 1.104 ( 1.908 1.530 -0.555) 2.508 1.144 ( 0.198 1.003 -2.017) 2.261 1.162 ( 7.097 4.648 2.688) 8.899 1.234 ( 0.868 1.654 -0.654) 1.980 1.273 ( 0.891 1.283 1.877) 2.441 1.294 ( 2.778 0.694 0.941) 3.013 1.327 ( -0.075 2.754 1.691) 3.233 1.411 ( 0.323 2.404 0.752) 2.540 1.452 ( -0.520 0.078 2.430) 2.486 1.488 ( 0.485 0.848 1.685) 1.948 1.567 ( 0.205 -0.007 -0.224) 0.304 1.617 ( 0.714 -3.293 1.545) 3.707 1.631 ( -0.805 -0.416 2.160) 2.343 1.691 ( 0.937 0.250 2.327) 2.521 1.749 ( 0.683 -1.893 1.774) 2.682 1.775 ( -0.556 -3.690 0.172) 3.735 1.802 ( 0.499 0.624 -2.716) 2.831 1.820 ( -1.187 -1.048 -1.663) 2.296 1.885 ( 0.789 -0.195 -3.352) 3.449 1.927 ( 1.799 -0.623 2.470) 3.118 1.987 ( 0.504 -2.662 -2.935) 3.994 2.048 ( 2.166 0.240 -0.812) 2.326 2.127 ( 0.630 1.453 0.010) 1.584 2.157 ( -2.016 -1.083 4.022) 4.627 2.188 ( -1.238 1.024 0.364) 1.648 2.391 ( 1.106 -5.788 -0.752) 5.940 2.696 ( 1.574 -0.573 3.544) 3.920 2.756 ( 0.556 -3.129 0.988) 3.328 2.876 ( -2.747 2.086 -0.625) 3.506 2.919 ( -2.633 0.090 -0.926) 2.792 3.368 ( -0.415 -0.655 0.200) 0.801 3.403 ( -0.629 -0.090 0.050) 0.637 3.444 ( 0.391 -0.255 0.309) 0.560 3.540 ( -0.025 -0.764 1.040) 1.291 3.669 ( 0.454 0.365 0.830) 1.014 3.740 ( 2.383 2.604 0.243) 3.539 3.763 ( 0.017 -0.752 1.083) 1.318 3.829 ( -1.328 -0.589 -1.596) 2.158 4.283 ( 0.194 0.233 -1.734) 1.760 4.338 ( -0.012 -0.446 -2.622) 2.660 4.356 ( 0.474 0.351 -0.392) 0.708 4.398 ( 0.012 -0.197 -0.684) 0.712 4.421 ( 0.374 -0.214 1.811) 1.862 4.541 ( -2.735 -1.419 -0.454) 3.115 4.575 ( -2.684 0.416 -3.203) 4.199 4.646 ( -1.159 -1.455 -2.359) 3.004 5.361 ( 0.725 -3.282 -0.450) 3.391 5.440 ( -0.347 -4.697 -0.478) 4.734 5.536 ( 1.327 -2.633 -0.978) 3.106 5.555 ( 3.621 -1.594 0.920) 4.062 5.735 ( 0.110 3.284 -0.511) 3.325 5.775 ( -0.220 3.279 -0.495) 3.323 6.158 ( 0.067 0.381 0.303) 0.492 6.175 ( 0.751 -0.093 0.414) 0.863 6.524 ( 0.282 2.792 -0.487) 2.848 6.553 ( -0.750 3.026 -0.035) 3.118 6.858 ( 0.324 1.844 -0.329) 1.901 6.946 ( -1.026 0.591 0.807) 1.433 6.959 ( -0.606 -0.230 1.416) 1.558 6.968 ( 0.088 -0.479 0.304) 0.575 7.031 ( -0.489 -0.662 -1.393) 1.617 7.069 ( -1.111 -0.766 0.216) 1.367 11.608 ( 0.324 0.722 0.032) 0.792 11.658 ( -1.130 2.800 -1.234) 3.262 11.714 ( 0.368 -2.101 -0.677) 2.238 11.781 ( -0.399 1.204 0.003) 1.269 11.827 ( 2.309 -0.497 -0.271) 2.377 11.829 ( 0.330 0.052 0.902) 0.962 11.998 ( -2.561 -0.999 0.004) 2.749 12.109 ( -3.276 -3.536 1.470) 5.039 12.147 ( -1.026 1.627 -0.953) 2.147 12.238 ( -1.008 0.814 0.701) 1.473 12.352 ( 4.826 2.072 -4.461) 6.891 12.486 ( 5.564 -1.121 1.462) 5.861 12.717 ( -0.782 -0.920 1.414) 1.859 12.744 ( -0.021 -0.852 0.550) 1.014 12.822 ( -0.473 0.106 0.126) 0.501 12.832 ( -0.670 -0.041 0.926) 1.144 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 1.329 2.154 1.395) 2.891 0.555 ( 2.730 1.561 -0.021) 3.145 0.614 ( -0.834 -2.873 1.071) 3.177 0.671 ( -0.749 -3.945 0.542) 4.052 0.722 ( 0.346 1.002 -1.669) 1.977 0.736 ( 1.314 -0.333 1.315) 1.888 0.762 ( 1.128 0.252 -2.782) 3.012 0.809 ( -1.439 -0.632 3.693) 4.014 0.826 ( -0.370 2.286 -0.342) 2.340 0.862 ( -0.567 0.716 1.823) 2.039 0.867 ( -0.239 -0.020 1.071) 1.097 0.920 ( 0.659 1.727 0.332) 1.878 0.957 ( 0.531 1.624 -1.254) 2.119 0.983 ( 1.591 -0.454 0.836) 1.854 0.995 ( 0.291 -1.075 -0.724) 1.328 1.016 ( 2.667 1.531 1.590) 3.462 1.051 ( 1.339 -1.041 0.737) 1.849 1.058 ( 1.953 -1.401 -1.608) 2.892 1.099 ( -0.260 0.947 -1.288) 1.620 1.132 ( 0.454 1.720 -0.488) 1.844 1.234 ( 1.790 3.825 -1.392) 4.447 1.269 ( -0.638 2.836 0.811) 3.018 1.332 ( 3.132 4.332 0.417) 5.362 1.352 ( 1.862 1.043 1.073) 2.389 1.379 ( 3.984 1.557 3.094) 5.279 1.415 ( 0.587 2.589 -0.619) 2.726 1.468 ( -0.376 1.368 1.252) 1.892 1.525 ( 1.087 0.925 1.944) 2.412 1.577 ( 1.022 -1.990 0.216) 2.247 1.632 ( 0.145 -2.817 0.217) 2.829 1.650 ( -0.907 -1.759 2.243) 2.991 1.723 ( 0.206 -1.253 -0.948) 1.585 1.756 ( -1.213 0.357 -2.104) 2.454 1.770 ( 1.561 -1.178 1.895) 2.723 1.801 ( 0.790 1.850 -0.413) 2.054 1.803 ( -0.736 -2.589 3.229) 4.203 1.867 ( 2.233 -2.204 -3.503) 4.703 1.933 ( -0.805 -4.156 -2.350) 4.842 1.990 ( 0.026 -1.967 2.257) 2.994 2.070 ( 2.764 1.446 -2.332) 3.895 2.130 ( -0.105 2.478 0.211) 2.489 2.167 ( 0.337 2.378 0.248) 2.415 2.192 ( -1.820 -1.027 3.635) 4.192 2.370 ( -1.762 -2.680 -0.837) 3.315 2.745 ( 0.562 -1.100 1.147) 1.686 2.788 ( 0.895 -1.111 1.926) 2.397 2.825 ( -2.156 0.573 -0.420) 2.270 2.869 ( -2.249 0.023 -0.503) 2.305 3.367 ( -0.033 -0.928 0.267) 0.966 3.406 ( 0.391 -0.085 0.578) 0.703 3.444 ( -0.681 0.064 -0.065) 0.687 3.553 ( 0.044 -1.102 0.826) 1.378 3.672 ( 0.192 -0.166 -0.348) 0.430 3.745 ( -1.628 -1.247 -1.146) 2.349 3.787 ( 1.417 1.996 0.979) 2.636 3.820 ( 0.834 0.814 0.537) 1.282 4.269 ( 0.243 0.207 -1.046) 1.094 4.308 ( -0.048 -0.617 -1.890) 1.989 4.352 ( 0.115 -0.093 -0.613) 0.631 4.391 ( 0.142 1.133 -0.023) 1.142 4.447 ( 0.013 -0.346 -0.711) 0.791 4.493 ( -2.596 -0.528 0.086) 2.651 4.512 ( -0.733 -0.835 -0.453) 1.200 4.596 ( -1.235 -1.717 -2.442) 3.230 5.368 ( 0.558 -3.141 -0.172) 3.195 5.433 ( -0.059 -4.759 -0.047) 4.760 5.525 ( 0.290 -1.102 -1.718) 2.062 5.633 ( 2.828 -2.499 1.788) 4.176 5.729 ( 0.067 2.973 -0.838) 3.090 5.766 ( -0.204 3.512 -0.254) 3.527 6.163 ( -0.011 0.278 0.360) 0.455 6.190 ( 0.575 -0.351 0.240) 0.715 6.523 ( 0.260 2.659 -0.330) 2.692 6.545 ( -0.383 2.785 0.115) 2.813 6.864 ( 0.664 1.322 -0.040) 1.480 6.934 ( -1.008 -0.112 0.111) 1.020 6.969 ( -0.579 -0.185 1.399) 1.526 6.973 ( 0.284 -0.369 -0.067) 0.470 7.008 ( -0.400 0.162 -0.999) 1.088 7.053 ( -0.880 -0.648 0.026) 1.093 11.603 ( -0.413 1.181 -0.651) 1.411 11.636 ( -0.174 2.047 -0.305) 2.076 11.707 ( 0.352 -1.408 -1.211) 1.890 11.778 ( -0.004 -0.367 0.043) 0.369 11.841 ( 0.677 -1.242 0.537) 1.513 11.860 ( 1.016 -0.454 0.027) 1.113 11.971 ( -1.198 -0.727 0.497) 1.487 12.076 ( -1.940 1.343 0.567) 2.426 12.128 ( -0.665 -1.863 -0.423) 2.023 12.223 ( -0.638 0.733 -0.465) 1.077 12.374 ( 2.330 3.148 -1.498) 4.193 12.581 ( 3.816 -1.928 1.233) 4.449 12.717 ( -0.380 -0.242 0.421) 0.616 12.742 ( -0.980 0.126 0.289) 1.030 12.821 ( -0.059 -0.412 0.317) 0.523 12.833 ( -0.388 -0.386 0.624) 0.829 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.524 ( 0.000 1.552 0.000) 1.552 0.572 ( 0.000 1.663 0.000) 1.663 0.623 ( 0.000 -5.309 0.000) 5.309 0.683 ( 0.000 -2.239 0.000) 2.239 0.699 ( -0.000 0.053 -0.000) 0.053 0.744 ( -0.000 0.155 0.000) 0.155 0.771 ( -0.000 1.081 0.000) 1.081 0.814 ( -0.000 2.048 0.000) 2.048 0.821 ( 0.000 -1.431 -0.000) 1.431 0.858 ( 0.000 0.982 -0.000) 0.982 0.876 ( -0.000 0.278 0.000) 0.278 0.939 ( 0.000 0.039 0.000) 0.039 0.947 ( -0.000 2.876 -0.000) 2.876 0.993 ( 0.000 -1.157 0.000) 1.157 1.003 ( 0.000 -1.564 -0.000) 1.564 1.050 ( 0.000 0.117 0.000) 0.117 1.063 ( 0.000 2.504 -0.000) 2.504 1.071 ( 0.000 -2.520 0.000) 2.520 1.083 ( 0.000 1.700 0.000) 1.700 1.138 ( 0.000 0.507 0.000) 0.507 1.242 ( 0.000 4.949 0.000) 4.949 1.269 ( -0.000 2.462 0.000) 2.462 1.363 ( -0.000 4.202 0.000) 4.202 1.368 ( 0.000 3.038 -0.000) 3.038 1.399 ( 0.000 5.186 0.000) 5.186 1.456 ( -0.000 -1.470 -0.000) 1.470 1.464 ( 0.000 -0.091 0.000) 0.091 1.551 ( 0.000 1.090 0.000) 1.090 1.594 ( 0.000 -2.897 0.000) 2.897 1.631 ( -0.000 -3.541 0.000) 3.541 1.653 ( -0.000 -0.598 0.000) 0.598 1.714 ( 0.000 0.093 0.000) 0.093 1.734 ( 0.000 -0.520 -0.000) 0.520 1.786 ( -0.000 2.433 0.000) 2.433 1.819 ( 0.000 -2.692 -0.000) 2.692 1.828 ( -0.000 -1.024 0.000) 1.024 1.859 ( 0.000 -5.453 -0.000) 5.453 1.908 ( 0.000 -2.340 0.000) 2.340 2.003 ( -0.000 -2.200 0.000) 2.200 2.076 ( 0.000 2.633 0.000) 2.633 2.133 ( 0.000 2.852 0.000) 2.852 2.179 ( 0.000 1.955 0.000) 1.955 2.198 ( 0.000 -1.273 0.000) 1.273 2.343 ( 0.000 -1.674 0.000) 1.674 2.755 ( 0.000 -0.778 0.000) 0.778 2.798 ( 0.000 1.137 0.000) 1.137 2.812 ( 0.000 -1.818 -0.000) 1.818 2.850 ( 0.000 -0.008 0.000) 0.008 3.370 ( 0.000 -0.947 0.000) 0.947 3.422 ( 0.000 -2.065 0.000) 2.065 3.429 ( -0.000 2.059 -0.000) 2.059 3.558 ( 0.000 -1.132 0.000) 1.132 3.673 ( 0.000 -0.183 0.000) 0.183 3.718 ( 0.000 -0.514 0.000) 0.514 3.808 ( 0.000 0.772 0.000) 0.772 3.831 ( 0.000 1.040 0.000) 1.040 4.264 ( 0.000 0.203 0.000) 0.203 4.295 ( 0.000 -0.822 0.000) 0.822 4.349 ( 0.000 -0.156 0.000) 0.156 4.401 ( 0.000 1.259 0.000) 1.259 4.422 ( -0.000 0.933 -0.000) 0.933 4.468 ( 0.000 0.241 0.000) 0.241 4.531 ( 0.000 -3.233 0.000) 3.233 4.558 ( 0.000 -1.134 0.000) 1.134 5.372 ( 0.000 -3.028 0.000) 3.028 5.433 ( 0.000 -5.274 0.000) 5.274 5.514 ( 0.000 -0.094 0.000) 0.094 5.672 ( 0.000 -3.704 0.000) 3.704 5.720 ( 0.000 3.865 0.000) 3.865 5.763 ( 0.000 3.435 0.000) 3.435 6.166 ( 0.000 0.233 0.000) 0.233 6.197 ( 0.000 -0.457 0.000) 0.457 6.523 ( 0.000 2.569 0.000) 2.569 6.543 ( 0.000 2.768 0.000) 2.768 6.872 ( 0.000 1.025 0.000) 1.025 6.924 ( 0.000 -0.387 0.000) 0.387 6.973 ( 0.000 0.036 -0.000) 0.036 6.974 ( -0.000 -0.535 0.000) 0.535 6.998 ( 0.000 0.644 0.000) 0.644 7.046 ( 0.000 -0.622 0.000) 0.622 11.593 ( 0.000 1.488 0.000) 1.488 11.635 ( 0.000 1.730 0.000) 1.730 11.701 ( 0.000 -1.228 0.000) 1.228 11.779 ( -0.000 -0.929 0.000) 0.929 11.855 ( -0.000 -1.160 -0.000) 1.160 11.863 ( 0.000 -2.159 0.000) 2.159 11.966 ( 0.000 0.086 0.000) 0.086 12.066 ( 0.000 4.085 0.000) 4.085 12.117 ( 0.000 -3.381 0.000) 3.381 12.214 ( 0.000 0.380 0.000) 0.380 12.384 ( 0.000 3.526 0.000) 3.526 12.623 ( 0.000 -2.650 0.000) 2.650 12.721 ( -0.000 0.464 0.000) 0.464 12.728 ( 0.000 0.546 0.000) 0.546 12.824 ( 0.000 -0.500 0.000) 0.500 12.834 ( 0.000 -0.719 0.000) 0.719 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 7.682 0.000) 7.682 0.471 ( 0.000 10.428 0.000) 10.428 0.534 ( 0.000 -3.789 0.000) 3.789 0.620 ( 0.000 -4.734 0.000) 4.734 0.676 ( 0.000 3.484 0.000) 3.484 0.732 ( 0.000 -0.432 0.000) 0.432 0.742 ( 0.000 -0.264 0.000) 0.264 0.766 ( 0.000 -2.927 0.000) 2.927 0.808 ( 0.000 1.212 0.000) 1.212 0.836 ( 0.000 -2.161 0.000) 2.161 0.845 ( 0.000 0.220 0.000) 0.220 0.848 ( 0.000 -0.210 0.000) 0.210 0.918 ( 0.000 9.388 0.000) 9.388 1.014 ( 0.000 -1.468 0.000) 1.468 1.021 ( 0.000 1.958 0.000) 1.958 1.032 ( 0.000 1.032 0.000) 1.032 1.046 ( 0.000 0.793 0.000) 0.793 1.057 ( 0.000 -1.166 0.000) 1.166 1.075 ( 0.000 1.733 0.000) 1.733 1.099 ( 0.000 -0.887 0.000) 0.887 1.151 ( 0.000 0.964 0.000) 0.964 1.216 ( 0.000 -0.535 0.000) 0.535 1.239 ( 0.000 0.212 0.000) 0.212 1.255 ( 0.000 -3.514 0.000) 3.514 1.329 ( 0.000 2.401 0.000) 2.401 1.361 ( 0.000 1.560 0.000) 1.560 1.437 ( 0.000 5.220 0.000) 5.220 1.467 ( 0.000 1.560 0.000) 1.560 1.563 ( 0.000 -4.081 0.000) 4.081 1.584 ( 0.000 -3.861 0.000) 3.861 1.631 ( 0.000 -1.646 0.000) 1.646 1.639 ( 0.000 -1.133 0.000) 1.133 1.660 ( 0.000 3.490 0.000) 3.490 1.726 ( 0.000 -2.117 0.000) 2.117 1.771 ( 0.000 -0.642 0.000) 0.642 1.789 ( 0.000 -2.587 0.000) 2.587 1.897 ( 0.000 0.186 0.000) 0.186 1.900 ( 0.000 0.170 0.000) 0.170 1.990 ( 0.000 1.332 0.000) 1.332 2.015 ( 0.000 -0.968 0.000) 0.968 2.079 ( 0.000 1.488 0.000) 1.488 2.128 ( 0.000 -3.056 0.000) 3.056 2.187 ( 0.000 3.144 0.000) 3.144 2.231 ( 0.000 -1.172 0.000) 1.172 2.623 ( 0.000 1.493 0.000) 1.493 2.666 ( 0.000 -2.885 0.000) 2.885 2.957 ( 0.000 1.844 0.000) 1.844 2.989 ( 0.000 -1.265 0.000) 1.265 3.360 ( 0.000 -0.004 0.000) 0.004 3.383 ( 0.000 -2.187 0.000) 2.187 3.507 ( 0.000 1.311 0.000) 1.311 3.526 ( 0.000 -0.670 0.000) 0.670 3.633 ( 0.000 3.271 0.000) 3.271 3.690 ( 0.000 -2.461 0.000) 2.461 3.792 ( 0.000 2.121 0.000) 2.121 3.824 ( 0.000 -1.057 0.000) 1.057 4.319 ( 0.000 0.478 0.000) 0.478 4.326 ( 0.000 0.022 0.000) 0.022 4.365 ( 0.000 -0.198 0.000) 0.198 4.377 ( 0.000 -1.123 0.000) 1.123 4.481 ( 0.000 2.792 0.000) 2.792 4.540 ( 0.000 -3.075 0.000) 3.075 4.678 ( 0.000 -0.317 0.000) 0.317 4.680 ( 0.000 -0.532 0.000) 0.532 5.314 ( 0.000 0.073 0.000) 0.073 5.350 ( 0.000 -3.431 0.000) 3.431 5.451 ( 0.000 -0.513 0.000) 0.513 5.467 ( 0.000 -2.054 0.000) 2.054 5.806 ( 0.000 2.428 0.000) 2.428 5.826 ( 0.000 0.495 0.000) 0.495 6.160 ( 0.000 0.257 0.000) 0.257 6.161 ( 0.000 0.168 0.000) 0.168 6.588 ( 0.000 2.794 0.000) 2.794 6.619 ( 0.000 -0.290 0.000) 0.290 6.914 ( 0.000 2.564 0.000) 2.564 6.938 ( 0.000 -0.070 0.000) 0.070 6.970 ( 0.000 -0.426 0.000) 0.426 6.971 ( 0.000 0.454 0.000) 0.454 7.040 ( 0.000 -0.656 0.000) 0.656 7.055 ( 0.000 -1.543 0.000) 1.543 11.631 ( 0.000 1.678 0.000) 1.678 11.666 ( 0.000 -1.869 0.000) 1.869 11.742 ( 0.000 0.206 0.000) 0.206 11.751 ( 0.000 -0.679 0.000) 0.679 11.807 ( 0.000 1.124 0.000) 1.124 11.822 ( 0.000 -0.292 0.000) 0.292 12.104 ( 0.000 1.112 0.000) 1.112 12.135 ( 0.000 -1.953 0.000) 1.953 12.209 ( 0.000 1.227 0.000) 1.227 12.224 ( 0.000 -0.428 0.000) 0.428 12.308 ( 0.000 0.330 0.000) 0.330 12.315 ( 0.000 -0.197 0.000) 0.197 12.687 ( 0.000 0.872 0.000) 0.872 12.709 ( 0.000 -1.342 0.000) 1.342 12.834 ( 0.000 0.065 0.000) 0.065 12.835 ( 0.000 0.055 0.000) 0.055 ======================= Grid point 19 (12/63) ======================= q-point: ( 0.12 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 2.889 5.929 0.033) 6.595 0.490 ( 2.188 7.584 2.020) 8.148 0.554 ( 1.739 -3.161 0.355) 3.625 0.619 ( 0.395 -4.062 -0.350) 4.096 0.686 ( 1.755 1.546 -0.675) 2.434 0.716 ( 0.984 -0.084 -2.054) 2.279 0.780 ( 2.198 0.577 0.620) 2.356 0.794 ( 0.862 -0.232 -1.366) 1.632 0.810 ( 2.170 -0.538 0.620) 2.320 0.821 ( -1.272 -1.095 0.494) 1.750 0.847 ( 0.759 0.221 -0.587) 0.985 0.857 ( 1.525 -1.005 -0.318) 1.854 0.944 ( 1.480 5.274 0.259) 5.484 0.973 ( -1.568 0.863 -0.772) 1.949 0.992 ( -0.442 0.699 -1.585) 1.788 1.035 ( 0.698 -0.506 -1.103) 1.400 1.040 ( 0.309 1.712 0.471) 1.802 1.073 ( 1.748 -0.072 -0.461) 1.809 1.081 ( -0.325 -0.624 -1.188) 1.381 1.112 ( 0.830 -0.832 0.190) 1.190 1.184 ( 1.705 2.312 1.234) 3.127 1.227 ( 1.444 1.724 3.439) 4.109 1.239 ( 0.830 2.226 1.635) 2.884 1.327 ( 0.862 -3.438 2.481) 4.326 1.351 ( -0.158 2.465 2.767) 3.709 1.381 ( 0.520 1.396 2.600) 2.997 1.430 ( 0.832 3.798 0.210) 3.893 1.480 ( 0.553 0.696 1.334) 1.603 1.542 ( -0.785 -2.200 0.353) 2.362 1.572 ( -0.884 -3.587 -1.190) 3.881 1.644 ( -1.977 1.799 2.047) 3.367 1.654 ( 1.133 0.103 1.454) 1.846 1.685 ( 1.888 -2.576 -0.082) 3.194 1.707 ( -1.305 -2.436 0.625) 2.833 1.782 ( 0.979 -0.152 -0.312) 1.038 1.810 ( 1.672 -3.143 -0.110) 3.562 1.879 ( -0.457 1.848 -1.296) 2.303 1.915 ( 1.080 -1.126 -1.051) 1.881 2.008 ( 1.851 2.009 -0.842) 2.858 2.035 ( -0.171 0.220 3.407) 3.418 2.073 ( 1.715 -0.517 -1.590) 2.395 2.113 ( -1.674 -3.474 0.712) 3.922 2.216 ( 1.873 2.310 0.240) 2.983 2.255 ( 2.298 -1.698 0.956) 3.013 2.640 ( 0.708 0.902 1.887) 2.208 2.674 ( 0.073 -2.659 1.374) 2.994 2.947 ( -1.288 1.497 -0.176) 1.983 2.969 ( -1.997 -0.742 -0.551) 2.200 3.356 ( -0.459 -0.139 0.013) 0.479 3.377 ( -0.370 -2.143 -0.229) 2.187 3.489 ( -0.817 2.231 -0.575) 2.444 3.521 ( -0.223 -1.039 -0.147) 1.073 3.669 ( 1.845 2.616 1.851) 3.698 3.713 ( 0.814 -1.795 1.470) 2.459 3.779 ( -0.127 2.220 -0.987) 2.433 3.821 ( -0.294 -1.996 -0.512) 2.081 4.313 ( 0.396 0.924 -1.591) 1.881 4.335 ( 0.944 -1.023 -0.739) 1.576 4.358 ( 0.190 0.336 -0.739) 0.834 4.374 ( -0.268 -1.075 0.099) 1.112 4.470 ( -1.235 2.914 0.009) 3.164 4.530 ( -1.182 -3.058 -0.087) 3.280 4.651 ( -1.475 0.217 -2.084) 2.562 4.663 ( -0.968 -0.986 -1.706) 2.195 5.317 ( 0.406 -0.155 -0.210) 0.482 5.352 ( 0.260 -3.674 -0.172) 3.687 5.466 ( 2.034 -0.259 -0.016) 2.051 5.483 ( 1.957 -1.981 -0.302) 2.800 5.802 ( -0.121 2.402 -0.396) 2.438 5.822 ( -0.193 0.511 -0.303) 0.625 6.162 ( 0.155 0.229 0.015) 0.277 6.163 ( 0.166 0.109 0.304) 0.363 6.585 ( -0.009 2.654 -0.367) 2.680 6.610 ( -0.518 0.273 -0.455) 0.742 6.911 ( 0.022 2.619 -0.563) 2.678 6.945 ( -0.194 -0.716 0.901) 1.167 6.960 ( -0.573 0.194 -0.195) 0.636 6.967 ( -0.961 -0.042 0.488) 1.078 7.035 ( -0.205 -0.166 -0.380) 0.463 7.054 ( -0.484 -1.548 0.401) 1.671 11.629 ( 0.019 1.763 -0.034) 1.764 11.667 ( 0.217 -2.079 -0.123) 2.094 11.745 ( 0.121 2.015 -0.861) 2.194 11.778 ( 2.314 -0.953 0.035) 2.503 11.808 ( -0.394 -0.064 0.839) 0.929 11.812 ( -0.342 0.019 0.039) 0.344 12.051 ( -4.762 1.181 0.126) 4.908 12.088 ( -3.964 -2.543 -0.431) 4.729 12.214 ( -1.245 1.370 0.859) 2.041 12.231 ( -0.444 -0.408 1.653) 1.759 12.342 ( 5.547 1.152 -2.368) 6.141 12.367 ( 5.418 -1.152 -0.634) 5.576 12.695 ( 0.159 0.473 0.951) 1.074 12.713 ( 0.308 -1.213 0.179) 1.265 12.833 ( -0.374 0.088 0.174) 0.422 12.833 ( -0.497 0.030 0.426) 0.655 ======================= Grid point 20 (13/63) ======================= q-point: ( 0.25 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 2.250 2.715 0.666) 3.588 0.545 ( -0.369 3.433 1.436) 3.740 0.586 ( 2.344 -2.743 0.728) 3.681 0.640 ( 2.045 -2.300 -0.080) 3.078 0.675 ( 0.225 2.021 -0.939) 2.240 0.743 ( 2.742 -2.480 -1.747) 4.089 0.769 ( -0.203 1.522 -1.096) 1.886 0.794 ( -0.610 -0.688 0.319) 0.973 0.836 ( -0.670 1.374 2.025) 2.537 0.852 ( 1.111 0.166 -0.516) 1.236 0.867 ( 0.194 -0.195 2.976) 2.989 0.884 ( 3.430 -1.900 0.285) 3.932 0.938 ( 0.753 1.828 -1.579) 2.530 0.971 ( 0.190 -0.936 -1.309) 1.621 1.001 ( 2.374 1.355 -0.373) 2.759 1.029 ( 0.950 0.629 -1.347) 1.764 1.040 ( -0.530 1.233 -0.103) 1.346 1.047 ( 0.453 0.579 -1.877) 2.016 1.118 ( 1.783 -0.286 0.028) 1.806 1.123 ( 1.929 -1.541 -0.486) 2.516 1.253 ( 3.691 2.603 1.478) 4.752 1.279 ( 1.104 0.406 -0.050) 1.177 1.294 ( 1.585 3.946 3.926) 5.788 1.353 ( 0.784 0.957 2.916) 3.167 1.395 ( 1.754 2.768 1.974) 3.826 1.428 ( 0.903 3.088 2.491) 4.069 1.463 ( 0.727 -0.112 1.841) 1.982 1.518 ( 0.958 2.082 2.003) 3.043 1.537 ( -0.320 -3.763 -0.368) 3.794 1.565 ( 0.794 -1.973 1.281) 2.483 1.636 ( -2.298 1.495 2.559) 3.750 1.678 ( -0.852 -1.724 1.598) 2.500 1.697 ( 0.602 -1.105 1.360) 1.853 1.719 ( 1.076 -2.371 -0.119) 2.606 1.792 ( 1.132 -0.217 -0.336) 1.201 1.817 ( 0.711 -1.275 -2.306) 2.729 1.863 ( 0.797 -0.224 -1.352) 1.585 1.902 ( 0.386 -2.512 -2.481) 3.552 1.987 ( -1.965 3.563 -0.633) 4.117 2.053 ( 0.347 -1.277 -2.674) 2.983 2.116 ( 1.390 -1.063 4.700) 5.015 2.133 ( 1.981 -1.198 0.878) 2.476 2.238 ( 0.161 3.350 0.752) 3.437 2.302 ( 1.357 -3.432 0.808) 3.778 2.688 ( 1.286 0.029 2.889) 3.163 2.706 ( 1.234 -1.848 2.130) 3.078 2.905 ( -3.358 1.017 -0.577) 3.556 2.918 ( -3.109 -0.305 -0.707) 3.203 3.351 ( -0.215 -0.180 0.178) 0.332 3.371 ( -0.110 -2.094 0.093) 2.099 3.480 ( -0.132 2.587 0.170) 2.596 3.520 ( 0.016 -1.458 0.292) 1.487 3.693 ( -0.869 1.901 0.507) 2.151 3.733 ( -0.673 -1.930 0.846) 2.213 3.787 ( 2.100 1.780 -0.111) 2.755 3.814 ( 0.783 -1.031 -0.444) 1.369 4.294 ( 0.570 1.000 -2.430) 2.689 4.319 ( 0.569 -1.357 -3.026) 3.365 4.363 ( -0.193 0.556 0.387) 0.704 4.381 ( 0.526 -1.249 1.073) 1.728 4.448 ( -1.481 2.590 0.247) 2.994 4.502 ( -2.057 -2.589 -0.224) 3.314 4.588 ( -2.029 0.958 -3.142) 3.861 4.614 ( -1.496 -1.628 -2.726) 3.510 5.320 ( 0.467 -0.445 -0.340) 0.729 5.351 ( 0.164 -3.531 -0.500) 3.570 5.506 ( 2.282 -0.373 -0.386) 2.345 5.520 ( 3.155 -1.621 0.168) 3.551 5.795 ( -0.097 2.379 -0.486) 2.430 5.815 ( -0.192 0.512 -0.347) 0.647 6.166 ( 0.093 0.367 0.277) 0.469 6.172 ( 0.343 -0.230 0.378) 0.560 6.580 ( 0.048 2.390 -0.463) 2.435 6.597 ( -0.439 0.859 -0.341) 1.023 6.902 ( -0.114 2.384 -0.675) 2.481 6.940 ( -0.582 -1.394 -0.572) 1.616 6.957 ( -0.542 0.077 0.890) 1.045 6.962 ( -0.606 -0.200 1.097) 1.269 7.027 ( -0.323 0.579 -0.265) 0.714 7.048 ( -0.820 -1.294 0.308) 1.563 11.633 ( 0.403 1.735 -0.097) 1.784 11.671 ( 0.615 -2.116 -0.404) 2.240 11.717 ( -1.106 3.093 -1.535) 3.625 11.773 ( -0.553 -2.424 -1.742) 3.036 11.826 ( 0.960 0.979 0.733) 1.555 11.836 ( 0.881 0.107 0.985) 1.326 11.991 ( -2.963 0.739 0.725) 3.138 12.033 ( -2.827 -3.417 1.233) 4.603 12.195 ( -1.358 2.514 -0.414) 2.887 12.233 ( -0.756 -1.239 0.003) 1.452 12.401 ( 4.640 2.777 -1.477) 5.606 12.452 ( 5.024 -2.321 0.489) 5.555 12.710 ( 0.149 0.223 0.851) 0.892 12.723 ( 0.374 -1.043 0.647) 1.283 12.826 ( -0.665 0.204 0.153) 0.713 12.829 ( -0.632 -0.150 0.461) 0.796 ======================= Grid point 21 (14/63) ======================= q-point: ( 0.38 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 0.166 -0.475 -0.273) 0.572 0.546 ( -0.471 -1.638 0.443) 1.761 0.628 ( 1.458 3.180 -0.960) 3.628 0.651 ( 0.692 1.566 1.077) 2.023 0.709 ( 1.845 -1.563 1.761) 2.991 0.727 ( -0.661 -1.653 -1.259) 2.181 0.770 ( 1.398 1.205 -1.814) 2.588 0.800 ( -0.641 -0.996 1.624) 2.010 0.841 ( -0.735 -0.517 1.279) 1.563 0.855 ( -1.702 -1.170 1.703) 2.678 0.890 ( 0.412 3.127 0.616) 3.213 0.930 ( 0.842 0.132 -1.604) 1.816 0.940 ( 0.998 -1.120 -0.078) 1.502 0.956 ( 0.023 -1.994 -0.873) 2.177 1.019 ( 1.367 -0.017 -0.412) 1.427 1.032 ( 0.614 -0.884 -0.462) 1.171 1.047 ( 1.023 2.603 0.137) 2.800 1.065 ( 2.917 0.941 -0.013) 3.066 1.128 ( 0.089 1.501 -0.178) 1.514 1.150 ( 1.502 -0.394 -0.487) 1.628 1.291 ( 1.698 2.279 -0.296) 2.858 1.322 ( 2.078 -1.068 1.164) 2.610 1.347 ( 0.596 3.469 2.404) 4.262 1.403 ( 0.195 -0.364 1.784) 1.831 1.443 ( 2.562 2.190 0.221) 3.377 1.467 ( 0.779 4.714 1.510) 5.011 1.495 ( 0.533 -0.324 1.224) 1.374 1.520 ( -0.345 -1.941 0.287) 1.993 1.565 ( 1.159 1.871 0.700) 2.309 1.599 ( 1.051 -0.068 0.858) 1.358 1.641 ( -0.925 0.918 2.473) 2.795 1.680 ( -0.731 -3.011 1.583) 3.479 1.726 ( 0.454 -1.289 0.750) 1.559 1.737 ( 0.981 -2.592 -0.010) 2.771 1.787 ( -0.083 0.897 -2.347) 2.514 1.805 ( 0.178 -1.133 -0.416) 1.220 1.866 ( 1.676 0.285 -0.961) 1.953 1.880 ( 0.617 -1.513 -2.046) 2.618 1.960 ( -0.786 1.386 0.527) 1.678 2.034 ( 0.499 -4.341 -1.170) 4.524 2.166 ( 0.890 1.435 0.628) 1.801 2.181 ( 0.644 -0.251 2.595) 2.686 2.240 ( -0.504 3.913 0.394) 3.965 2.311 ( -0.712 -3.324 0.061) 3.400 2.736 ( 1.127 0.361 1.339) 1.787 2.758 ( 1.472 -1.666 1.705) 2.801 2.844 ( -2.997 1.092 -0.170) 3.194 2.862 ( -2.766 -0.737 -0.108) 2.864 3.354 ( 0.163 0.002 0.356) 0.392 3.375 ( 0.199 -1.975 0.228) 1.999 3.479 ( -0.361 2.572 0.143) 2.601 3.525 ( -0.092 -1.928 0.326) 1.957 3.682 ( -0.515 1.197 -0.018) 1.303 3.714 ( -1.189 -1.853 -0.435) 2.244 3.820 ( 1.073 1.220 0.252) 1.644 3.831 ( 1.130 0.100 0.233) 1.158 4.277 ( 0.454 0.620 -1.594) 1.770 4.292 ( 0.249 -0.904 -2.097) 2.298 4.363 ( -0.039 1.522 0.236) 1.541 4.407 ( 1.160 -2.247 0.514) 2.581 4.431 ( -1.363 1.576 0.581) 2.163 4.468 ( -1.732 -1.806 0.228) 2.513 4.522 ( -1.432 1.511 -2.597) 3.328 4.558 ( -1.271 -2.036 -2.400) 3.394 5.324 ( 0.461 -0.771 -0.233) 0.928 5.348 ( 0.125 -3.190 -0.333) 3.210 5.527 ( 1.272 1.264 -0.585) 1.886 5.571 ( 2.260 -3.125 0.413) 3.878 5.789 ( -0.020 2.442 -0.329) 2.464 5.809 ( -0.117 0.589 -0.205) 0.634 6.171 ( 0.024 0.488 0.301) 0.574 6.181 ( 0.252 -0.545 0.283) 0.664 6.576 ( 0.067 2.194 -0.309) 2.217 6.589 ( -0.190 1.042 -0.146) 1.070 6.894 ( 0.074 1.633 -0.387) 1.680 6.922 ( -0.733 -1.108 -0.457) 1.405 6.962 ( -0.046 -0.108 0.573) 0.585 6.967 ( -0.305 -0.441 0.721) 0.899 7.019 ( -0.318 0.939 -0.102) 0.996 7.038 ( -0.712 -0.915 0.118) 1.165 11.634 ( 0.086 1.874 -0.494) 1.940 11.672 ( 0.349 -2.005 -0.680) 2.146 11.688 ( -0.488 3.149 -0.666) 3.256 11.749 ( -0.377 -2.725 -0.747) 2.851 11.830 ( -0.179 0.366 -0.093) 0.418 11.846 ( -0.486 -0.943 -0.176) 1.075 11.980 ( -0.286 1.800 1.397) 2.296 12.033 ( -0.078 -3.353 1.770) 3.792 12.164 ( -1.265 3.109 -0.974) 3.495 12.213 ( -0.832 -1.675 -0.784) 2.028 12.449 ( 2.536 4.182 -0.357) 4.904 12.526 ( 3.019 -3.592 0.628) 4.735 12.721 ( 0.285 0.582 0.527) 0.835 12.735 ( -0.047 -0.719 0.595) 0.935 12.818 ( -0.458 0.140 0.094) 0.488 12.824 ( -0.508 -0.461 0.170) 0.707 ======================= Grid point 22 (15/63) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.530 ( 0.000 -0.774 0.000) 0.774 0.543 ( 0.000 -2.509 0.000) 2.509 0.622 ( 0.000 4.158 0.000) 4.158 0.689 ( 0.000 -1.904 0.000) 1.904 0.697 ( -0.000 2.334 -0.000) 2.334 0.735 ( -0.000 -1.224 0.000) 1.224 0.787 ( -0.000 0.480 0.000) 0.480 0.794 ( 0.000 -0.837 -0.000) 0.837 0.841 ( 0.000 0.188 0.000) 0.188 0.853 ( -0.000 -0.909 0.000) 0.909 0.895 ( 0.000 2.348 -0.000) 2.348 0.929 ( 0.000 -0.873 -0.000) 0.873 0.931 ( -0.000 -0.805 0.000) 0.805 0.953 ( 0.000 -2.709 0.000) 2.709 1.034 ( -0.000 -0.726 -0.000) 0.726 1.035 ( 0.000 -0.815 0.000) 0.815 1.056 ( 0.000 3.410 0.000) 3.410 1.096 ( 0.000 -0.352 0.000) 0.352 1.127 ( 0.000 2.546 0.000) 2.546 1.158 ( 0.000 0.111 0.000) 0.111 1.314 ( 0.000 2.484 0.000) 2.484 1.332 ( 0.000 2.371 0.000) 2.371 1.389 ( -0.000 -0.002 0.000) 0.002 1.401 ( -0.000 -0.945 0.000) 0.945 1.467 ( 0.000 1.195 -0.000) 1.195 1.483 ( -0.000 3.601 0.000) 3.601 1.506 ( 0.000 2.830 0.000) 2.830 1.521 ( 0.000 -3.549 0.000) 3.549 1.574 ( 0.000 2.383 0.000) 2.383 1.613 ( 0.000 0.620 0.000) 0.620 1.651 ( -0.000 0.658 0.000) 0.658 1.701 ( 0.000 -2.253 0.000) 2.253 1.723 ( 0.000 -0.317 -0.000) 0.317 1.739 ( 0.000 -3.886 0.000) 3.886 1.777 ( 0.000 -1.489 0.000) 1.489 1.790 ( -0.000 -1.400 -0.000) 1.400 1.868 ( -0.000 3.320 -0.000) 3.320 1.890 ( 0.000 -0.167 0.000) 0.167 1.963 ( 0.000 -0.408 0.000) 0.408 2.032 ( 0.000 -5.474 0.000) 5.474 2.176 ( 0.000 2.218 0.000) 2.218 2.201 ( 0.000 -0.068 0.000) 0.068 2.239 ( 0.000 3.472 0.000) 3.472 2.300 ( 0.000 -2.742 0.000) 2.742 2.752 ( 0.000 0.538 0.000) 0.538 2.776 ( 0.000 -1.763 0.000) 1.763 2.821 ( 0.000 1.191 0.000) 1.191 2.841 ( 0.000 -0.835 0.000) 0.835 3.359 ( 0.000 0.062 0.000) 0.062 3.379 ( 0.000 -1.914 0.000) 1.914 3.476 ( 0.000 2.670 0.000) 2.670 3.525 ( 0.000 -2.240 -0.000) 2.240 3.678 ( 0.000 0.772 0.000) 0.772 3.700 ( 0.000 -1.250 0.000) 1.250 3.829 ( 0.000 1.130 0.000) 1.130 3.843 ( 0.000 -0.089 0.000) 0.089 4.271 ( 0.000 0.415 0.000) 0.415 4.280 ( 0.000 -0.627 0.000) 0.627 4.366 ( 0.000 2.075 0.000) 2.075 4.416 ( 0.000 -1.941 -0.000) 1.941 4.426 ( 0.000 1.285 0.000) 1.285 4.459 ( -0.000 -2.709 0.000) 2.709 4.492 ( 0.000 1.634 -0.000) 1.634 4.528 ( 0.000 -1.821 0.000) 1.821 5.327 ( -0.000 -0.956 0.000) 0.956 5.347 ( 0.000 -3.027 0.000) 3.027 5.533 ( 0.000 2.067 0.000) 2.067 5.592 ( 0.000 -3.891 0.000) 3.891 5.786 ( 0.000 2.519 0.000) 2.519 5.806 ( 0.000 0.631 0.000) 0.631 6.173 ( 0.000 0.533 0.000) 0.533 6.185 ( 0.000 -0.671 0.000) 0.671 6.575 ( 0.000 2.129 0.000) 2.129 6.587 ( 0.000 1.068 0.000) 1.068 6.894 ( 0.000 1.089 0.000) 1.089 6.912 ( 0.000 -0.802 0.000) 0.802 6.966 ( 0.000 -0.184 -0.000) 0.184 6.969 ( -0.000 -0.375 0.000) 0.375 7.016 ( -0.000 0.993 0.000) 0.993 7.032 ( 0.000 -0.752 0.000) 0.752 11.629 ( 0.000 2.084 0.000) 2.084 11.669 ( 0.000 -1.952 0.000) 1.952 11.682 ( 0.000 3.005 0.000) 3.005 11.742 ( 0.000 -2.847 0.000) 2.847 11.831 ( -0.000 -0.713 -0.000) 0.713 11.833 ( 0.000 -0.815 0.000) 0.815 11.992 ( 0.000 2.361 0.000) 2.361 12.049 ( 0.000 -3.390 0.000) 3.390 12.143 ( 0.000 3.640 0.000) 3.640 12.199 ( 0.000 -1.924 0.000) 1.924 12.467 ( 0.000 4.678 0.000) 4.678 12.555 ( 0.000 -4.162 0.000) 4.162 12.731 ( -0.000 0.459 -0.000) 0.459 12.735 ( 0.000 0.065 0.000) 0.065 12.816 ( 0.000 -0.171 0.000) 0.171 12.820 ( 0.000 -0.575 0.000) 0.575 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.197 ( 9.625 0.000 9.571) 13.574 0.226 ( -0.506 0.000 10.181) 10.193 0.456 ( -0.425 0.000 19.305) 19.310 0.569 ( 0.431 0.000 -0.862) 0.964 0.628 ( -0.429 0.000 -4.581) 4.601 0.649 ( -0.739 0.000 1.689) 1.843 0.743 ( -1.260 0.000 -2.359) 2.675 0.777 ( 1.908 0.000 1.081) 2.193 0.806 ( -0.661 0.000 2.391) 2.481 0.818 ( 0.536 0.000 0.215) 0.578 0.859 ( -1.241 0.000 -3.897) 4.089 0.886 ( -1.205 0.000 -0.000) 1.205 0.938 ( 0.090 0.000 -1.308) 1.311 0.955 ( 0.297 0.000 -2.225) 2.245 0.964 ( 0.133 0.000 0.325) 0.352 1.004 ( 0.315 0.000 0.622) 0.697 1.013 ( 0.321 0.000 0.528) 0.617 1.014 ( -3.093 0.000 -0.764) 3.186 1.054 ( -1.578 0.000 -1.606) 2.252 1.087 ( -0.753 0.000 -0.295) 0.809 1.121 ( -1.025 0.000 -0.139) 1.034 1.225 ( -0.336 0.000 -1.314) 1.356 1.247 ( -0.752 0.000 0.897) 1.171 1.262 ( 0.597 0.000 -0.490) 0.772 1.287 ( 1.653 0.000 0.719) 1.803 1.437 ( -3.102 0.000 5.327) 6.164 1.449 ( 1.174 0.000 1.561) 1.953 1.481 ( -0.560 0.000 0.976) 1.125 1.588 ( 2.425 0.000 -0.715) 2.528 1.594 ( -0.408 0.000 -1.480) 1.535 1.643 ( -2.322 0.000 1.565) 2.800 1.660 ( -0.174 0.000 3.693) 3.698 1.696 ( 5.740 0.000 -3.279) 6.611 1.741 ( 0.847 0.000 1.857) 2.041 1.809 ( -0.076 0.000 -0.681) 0.685 1.856 ( 1.927 0.000 -1.372) 2.366 1.895 ( -0.924 0.000 -2.106) 2.300 1.897 ( -0.806 0.000 1.973) 2.131 1.957 ( -0.150 0.000 1.433) 1.441 2.037 ( -1.097 0.000 -2.480) 2.712 2.126 ( -0.174 0.000 1.117) 1.130 2.158 ( 2.935 0.000 1.831) 3.459 2.220 ( -1.210 0.000 -0.388) 1.271 2.312 ( 7.282 0.000 -1.005) 7.351 2.649 ( -0.032 0.000 3.750) 3.750 2.791 ( -0.037 0.000 2.704) 2.705 2.887 ( -0.427 0.000 -1.967) 2.013 2.962 ( 0.079 0.000 -0.742) 0.747 3.367 ( 0.267 0.000 0.588) 0.646 3.428 ( -0.324 0.000 -0.603) 0.685 3.468 ( -2.136 0.000 -0.002) 2.136 3.533 ( 2.100 0.000 -0.999) 2.326 3.562 ( 2.461 0.000 3.122) 3.976 3.727 ( -1.829 0.000 -0.513) 1.899 3.753 ( 0.530 0.000 1.318) 1.421 3.849 ( 1.973 0.000 -0.523) 2.041 4.310 ( -0.720 0.000 -0.493) 0.873 4.326 ( 0.760 0.000 0.527) 0.925 4.394 ( 0.452 0.000 0.152) 0.477 4.405 ( -2.960 0.000 0.427) 2.991 4.424 ( -1.501 0.000 -0.251) 1.522 4.618 ( -1.492 0.000 -0.495) 1.572 4.643 ( 0.058 0.000 -4.253) 4.253 4.675 ( 1.280 0.000 -2.534) 2.839 5.387 ( -1.812 0.000 1.348) 2.258 5.456 ( 1.389 0.000 1.342) 1.931 5.523 ( 1.734 0.000 -1.819) 2.513 5.566 ( -2.507 0.000 -1.081) 2.730 5.750 ( -2.986 0.000 2.141) 3.674 5.760 ( -2.478 0.000 2.402) 3.451 6.063 ( 5.193 0.000 -6.301) 8.166 6.082 ( 5.114 0.000 -6.213) 8.047 6.559 ( -4.447 0.000 5.757) 7.274 6.604 ( -5.082 0.000 6.501) 8.252 6.826 ( 0.854 0.000 -1.286) 1.543 6.950 ( 0.509 0.000 0.276) 0.579 6.954 ( 2.698 0.000 -2.902) 3.963 6.978 ( -0.279 0.000 1.446) 1.473 7.043 ( 1.024 0.000 -2.623) 2.816 7.091 ( 0.259 0.000 -0.619) 0.671 11.605 ( -0.273 0.000 1.047) 1.082 11.642 ( -0.597 0.000 0.190) 0.627 11.761 ( 1.442 0.000 0.186) 1.454 11.778 ( -1.337 0.000 -0.138) 1.344 11.834 ( -1.365 0.000 0.987) 1.684 11.837 ( -0.172 0.000 2.937) 2.942 11.938 ( 6.702 0.000 -1.064) 6.786 12.118 ( 2.229 0.000 -3.304) 3.986 12.210 ( 0.630 0.000 0.579) 0.856 12.252 ( 1.141 0.000 -0.075) 1.143 12.296 ( 1.996 0.000 -1.056) 2.258 12.312 ( -10.401 0.000 -0.862) 10.437 12.758 ( -0.609 0.000 0.707) 0.933 12.805 ( 0.140 0.000 -0.976) 0.986 12.842 ( 0.331 0.000 0.795) 0.861 12.850 ( -3.244 0.000 0.945) 3.379 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 4.279 0.000 6.236) 7.563 0.423 ( 4.146 0.000 5.395) 6.804 0.581 ( 3.699 0.000 -5.104) 6.304 0.591 ( 2.592 0.000 -0.587) 2.658 0.674 ( 3.263 0.000 1.679) 3.670 0.693 ( -0.072 0.000 -1.656) 1.657 0.726 ( 4.672 0.000 5.981) 7.589 0.812 ( 1.399 0.000 0.348) 1.442 0.823 ( 4.238 0.000 1.651) 4.548 0.833 ( 0.601 0.000 -0.942) 1.117 0.856 ( 2.050 0.000 1.295) 2.425 0.876 ( -2.139 0.000 3.154) 3.811 0.923 ( -0.659 0.000 -1.230) 1.395 0.942 ( 1.525 0.000 -1.449) 2.103 0.962 ( -1.899 0.000 0.781) 2.053 0.988 ( 1.614 0.000 1.467) 2.181 0.999 ( -0.834 0.000 -0.818) 1.169 1.019 ( -0.003 0.000 -0.194) 0.194 1.045 ( 2.634 0.000 0.486) 2.678 1.078 ( -0.243 0.000 -0.528) 0.582 1.121 ( -0.479 0.000 1.926) 1.984 1.207 ( 3.345 0.000 -3.568) 4.890 1.216 ( -1.254 0.000 -2.216) 2.546 1.265 ( -0.566 0.000 -0.205) 0.602 1.333 ( -0.173 0.000 4.114) 4.117 1.453 ( -5.026 0.000 5.877) 7.733 1.474 ( -0.483 0.000 0.446) 0.657 1.494 ( 0.388 0.000 1.706) 1.750 1.559 ( 0.648 0.000 -1.417) 1.558 1.618 ( 2.215 0.000 -1.007) 2.433 1.656 ( 0.823 0.000 2.601) 2.728 1.697 ( -0.329 0.000 2.779) 2.799 1.727 ( 3.348 0.000 -5.516) 6.453 1.754 ( 0.630 0.000 -1.497) 1.624 1.821 ( 1.575 0.000 -1.611) 2.253 1.855 ( -0.306 0.000 -2.304) 2.324 1.856 ( -1.202 0.000 1.517) 1.936 1.936 ( 0.838 0.000 3.623) 3.719 1.961 ( 1.452 0.000 -1.982) 2.457 2.010 ( 1.472 0.000 -2.318) 2.746 2.137 ( -1.141 0.000 1.735) 2.077 2.186 ( -1.636 0.000 -1.363) 2.129 2.220 ( 0.751 0.000 3.202) 3.288 2.375 ( 5.884 0.000 -5.954) 8.371 2.716 ( 1.058 0.000 5.042) 5.152 2.824 ( -0.412 0.000 2.894) 2.923 2.847 ( -1.070 0.000 -2.334) 2.567 2.935 ( -1.195 0.000 -1.963) 2.298 3.375 ( -0.513 0.000 0.967) 1.094 3.411 ( -0.391 0.000 -0.999) 1.072 3.453 ( -0.167 0.000 0.554) 0.579 3.549 ( 1.222 0.000 -0.383) 1.280 3.653 ( 3.159 0.000 3.611) 4.798 3.693 ( -1.016 0.000 -1.464) 1.782 3.779 ( 0.182 0.000 1.946) 1.955 3.836 ( -0.628 0.000 -2.893) 2.960 4.293 ( -0.732 0.000 -0.208) 0.761 4.342 ( 0.536 0.000 -0.226) 0.581 4.347 ( -3.093 0.000 0.202) 3.100 4.414 ( -1.505 0.000 0.781) 1.695 4.418 ( 1.572 0.000 1.392) 2.100 4.577 ( -1.346 0.000 -4.489) 4.686 4.591 ( -1.846 0.000 -0.346) 1.878 4.650 ( -0.063 0.000 -2.791) 2.792 5.398 ( 0.086 0.000 1.241) 1.244 5.500 ( -1.358 0.000 -1.252) 1.847 5.527 ( 3.942 0.000 2.529) 4.684 5.539 ( 1.625 0.000 -2.894) 3.319 5.727 ( -3.114 0.000 2.427) 3.948 5.750 ( -2.279 0.000 2.131) 3.120 6.071 ( 5.338 0.000 -6.085) 8.095 6.092 ( 5.464 0.000 -6.024) 8.133 6.560 ( -4.493 0.000 5.923) 7.434 6.603 ( -5.091 0.000 6.432) 8.202 6.823 ( 0.908 0.000 -1.254) 1.548 6.943 ( 0.944 0.000 -2.417) 2.595 6.963 ( 0.503 0.000 0.421) 0.656 6.992 ( -0.775 0.000 1.958) 2.106 7.023 ( 0.478 0.000 -2.622) 2.665 7.078 ( -0.084 0.000 -1.442) 1.444 11.616 ( -0.374 0.000 1.357) 1.408 11.630 ( -0.898 0.000 -0.315) 0.951 11.743 ( -1.871 0.000 -0.983) 2.114 11.792 ( 1.672 0.000 0.499) 1.745 11.828 ( -3.636 0.000 4.420) 5.724 11.832 ( -0.240 0.000 0.794) 0.830 12.000 ( 2.723 0.000 -4.033) 4.866 12.113 ( 1.947 0.000 -3.383) 3.903 12.205 ( -3.193 0.000 -0.238) 3.202 12.207 ( 0.375 0.000 -1.576) 1.620 12.256 ( 0.680 0.000 1.055) 1.255 12.398 ( 7.542 0.000 0.593) 7.565 12.757 ( -0.523 0.000 0.519) 0.737 12.787 ( -2.112 0.000 0.999) 2.336 12.827 ( -0.847 0.000 0.329) 0.908 12.854 ( -0.434 0.000 1.284) 1.356 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 3.302 0.000 1.580) 3.660 0.504 ( 1.863 0.000 1.601) 2.456 0.623 ( 3.730 0.000 -2.615) 4.556 0.634 ( 7.410 0.000 -3.449) 8.173 0.703 ( 0.816 0.000 1.912) 2.079 0.719 ( 0.978 0.000 -0.267) 1.014 0.743 ( -0.781 0.000 0.211) 0.809 0.826 ( 0.570 0.000 -0.456) 0.730 0.841 ( 0.386 0.000 0.069) 0.392 0.844 ( -2.083 0.000 2.080) 2.944 0.891 ( -1.345 0.000 -0.901) 1.619 0.895 ( 0.235 0.000 1.998) 2.012 0.949 ( 1.027 0.000 1.378) 1.719 0.955 ( 2.121 0.000 -0.225) 2.133 0.983 ( 1.358 0.000 1.768) 2.229 1.010 ( 1.014 0.000 1.073) 1.476 1.017 ( 3.770 0.000 -0.251) 3.779 1.051 ( 0.553 0.000 -3.157) 3.205 1.079 ( -0.457 0.000 2.234) 2.281 1.099 ( 1.885 0.000 -0.594) 1.976 1.164 ( -1.479 0.000 1.268) 1.948 1.213 ( 7.349 0.000 3.797) 8.272 1.240 ( 0.388 0.000 -1.684) 1.728 1.253 ( 5.175 0.000 -2.667) 5.822 1.381 ( -0.153 0.000 4.590) 4.592 1.418 ( -4.066 0.000 1.801) 4.447 1.461 ( -0.779 0.000 0.099) 0.785 1.516 ( 0.760 0.000 0.137) 0.772 1.574 ( 1.734 0.000 -0.253) 1.752 1.635 ( 2.020 0.000 -1.390) 2.452 1.705 ( 1.259 0.000 -2.426) 2.734 1.712 ( 1.804 0.000 1.221) 2.178 1.715 ( 0.109 0.000 -0.381) 0.396 1.731 ( 0.574 0.000 -3.861) 3.904 1.810 ( -1.210 0.000 -1.029) 1.588 1.812 ( 1.321 0.000 0.518) 1.419 1.909 ( 0.682 0.000 4.197) 4.252 1.954 ( 2.507 0.000 -3.688) 4.459 2.006 ( 1.231 0.000 4.198) 4.375 2.008 ( 0.936 0.000 -2.181) 2.373 2.118 ( -2.196 0.000 -0.404) 2.233 2.138 ( -1.743 0.000 -1.541) 2.326 2.258 ( -0.701 0.000 2.811) 2.897 2.375 ( 2.566 0.000 -4.543) 5.218 2.780 ( -0.168 0.000 3.213) 3.217 2.802 ( -0.780 0.000 -2.449) 2.570 2.847 ( -0.895 0.000 2.766) 2.907 2.883 ( -1.656 0.000 -2.334) 2.862 3.380 ( -0.249 0.000 0.884) 0.918 3.396 ( 0.172 0.000 -0.928) 0.944 3.460 ( -0.237 0.000 0.402) 0.467 3.563 ( 0.747 0.000 -0.315) 0.810 3.662 ( 0.304 0.000 -2.307) 2.327 3.740 ( 2.421 0.000 2.985) 3.844 3.776 ( -1.927 0.000 -2.824) 3.418 3.808 ( 0.551 0.000 1.632) 1.723 4.288 ( -0.770 0.000 1.359) 1.562 4.318 ( -1.456 0.000 0.987) 1.759 4.344 ( 0.537 0.000 -0.274) 0.603 4.397 ( -2.288 0.000 1.484) 2.727 4.442 ( -0.578 0.000 -1.521) 1.627 4.525 ( 0.618 0.000 -0.282) 0.679 4.546 ( -2.994 0.000 -0.352) 3.015 4.612 ( -0.859 0.000 -2.163) 2.328 5.411 ( -0.296 0.000 1.155) 1.192 5.479 ( 0.295 0.000 -0.507) 0.586 5.527 ( 1.129 0.000 -2.786) 3.006 5.626 ( 3.879 0.000 2.781) 4.773 5.712 ( -2.300 0.000 1.961) 3.022 5.741 ( -2.310 0.000 2.368) 3.308 6.081 ( 5.220 0.000 -6.129) 8.050 6.106 ( 5.587 0.000 -6.115) 8.283 6.561 ( -4.455 0.000 5.964) 7.445 6.600 ( -5.181 0.000 6.500) 8.312 6.827 ( 1.493 0.000 -1.118) 1.865 6.931 ( 1.004 0.000 -2.065) 2.296 6.973 ( 0.184 0.000 0.177) 0.255 6.996 ( 0.015 0.000 -2.242) 2.242 6.999 ( -1.271 0.000 1.805) 2.207 7.056 ( 0.137 0.000 -2.053) 2.058 11.605 ( -1.398 0.000 -0.544) 1.500 11.625 ( -0.615 0.000 1.473) 1.597 11.711 ( -0.435 0.000 -0.751) 0.868 11.811 ( -1.028 0.000 1.877) 2.140 11.847 ( 0.804 0.000 1.073) 1.341 11.847 ( 0.212 0.000 2.217) 2.227 11.975 ( 0.446 0.000 -2.492) 2.532 12.078 ( -1.487 0.000 -3.160) 3.493 12.176 ( 0.195 0.000 -0.555) 0.589 12.183 ( 0.140 0.000 -2.734) 2.738 12.299 ( 2.131 0.000 1.224) 2.457 12.523 ( 6.385 0.000 1.042) 6.469 12.751 ( -0.899 0.000 0.149) 0.912 12.763 ( -2.366 0.000 0.996) 2.567 12.824 ( 0.187 0.000 -0.121) 0.223 12.859 ( -0.907 0.000 1.316) 1.598 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.650 0.000 0.280) 0.708 0.537 ( 0.326 0.000 0.793) 0.857 0.644 ( 3.892 0.000 -3.985) 5.570 0.693 ( 3.670 0.000 -1.865) 4.117 0.708 ( 1.181 0.000 -2.639) 2.891 0.731 ( 0.164 0.000 0.980) 0.993 0.745 ( -0.593 0.000 1.092) 1.243 0.811 ( -1.392 0.000 -1.723) 2.215 0.837 ( 0.353 0.000 -0.311) 0.470 0.837 ( -2.228 0.000 2.175) 3.113 0.875 ( -0.585 0.000 0.209) 0.621 0.934 ( -0.233 0.000 3.096) 3.105 0.950 ( -2.041 0.000 1.080) 2.309 1.000 ( -0.135 0.000 -1.459) 1.465 1.001 ( 0.819 0.000 -4.796) 4.865 1.019 ( 3.311 0.000 1.748) 3.744 1.040 ( 1.341 0.000 0.866) 1.596 1.064 ( 1.441 0.000 -0.306) 1.473 1.101 ( 0.179 0.000 0.198) 0.267 1.156 ( 4.482 0.000 4.679) 6.479 1.166 ( -0.791 0.000 2.508) 2.630 1.217 ( -0.179 0.000 -1.852) 1.861 1.295 ( 3.467 0.000 -2.576) 4.319 1.311 ( 1.464 0.000 -0.054) 1.465 1.377 ( -3.665 0.000 2.546) 4.463 1.458 ( 2.273 0.000 1.018) 2.491 1.460 ( 0.394 0.000 -0.458) 0.605 1.519 ( 1.288 0.000 -2.574) 2.878 1.599 ( 2.313 0.000 -1.143) 2.580 1.642 ( 1.169 0.000 -2.169) 2.464 1.689 ( 3.063 0.000 -4.782) 5.678 1.691 ( -0.047 0.000 -0.055) 0.072 1.720 ( -0.935 0.000 0.981) 1.355 1.738 ( 0.589 0.000 0.508) 0.778 1.826 ( 1.833 0.000 0.392) 1.874 1.856 ( 0.386 0.000 2.328) 2.360 1.952 ( 3.001 0.000 -3.727) 4.785 1.956 ( -0.503 0.000 3.119) 3.160 1.977 ( -1.605 0.000 -0.636) 1.727 2.063 ( -1.278 0.000 1.058) 1.659 2.080 ( 0.471 0.000 0.901) 1.017 2.115 ( 1.814 0.000 -2.022) 2.716 2.261 ( -2.255 0.000 1.101) 2.509 2.347 ( 0.330 0.000 -3.450) 3.466 2.768 ( 0.262 0.000 -2.265) 2.280 2.792 ( -1.423 0.000 1.609) 2.148 2.838 ( -0.559 0.000 -1.511) 1.611 2.857 ( -1.352 0.000 1.061) 1.719 3.386 ( 0.053 0.000 0.126) 0.137 3.391 ( 0.553 0.000 -1.187) 1.310 3.452 ( -0.815 0.000 0.139) 0.827 3.559 ( 0.376 0.000 -1.459) 1.506 3.660 ( 1.985 0.000 -0.710) 2.108 3.721 ( -1.116 0.000 -1.651) 1.993 3.796 ( 1.031 0.000 1.160) 1.552 3.825 ( -0.351 0.000 0.482) 0.597 4.301 ( -1.290 0.000 3.143) 3.397 4.322 ( -1.068 0.000 2.501) 2.720 4.351 ( 0.313 0.000 -0.444) 0.543 4.386 ( -0.995 0.000 1.596) 1.880 4.405 ( 0.067 0.000 -0.615) 0.618 4.498 ( -2.875 0.000 0.575) 2.932 4.563 ( 1.361 0.000 1.074) 1.734 4.570 ( -1.261 0.000 -1.065) 1.651 5.418 ( -0.577 0.000 1.094) 1.237 5.493 ( 1.096 0.000 -0.213) 1.116 5.514 ( 0.910 0.000 -0.683) 1.138 5.694 ( -1.290 0.000 0.068) 1.292 5.706 ( 0.736 0.000 3.478) 3.555 5.738 ( -1.937 0.000 2.595) 3.238 6.083 ( 4.927 0.000 -6.664) 8.287 6.118 ( 5.414 0.000 -6.266) 8.281 6.565 ( -4.350 0.000 5.964) 7.382 6.597 ( -5.276 0.000 6.525) 8.391 6.840 ( 1.775 0.000 -1.279) 2.188 6.921 ( 0.598 0.000 -1.791) 1.888 6.970 ( -0.385 0.000 -0.385) 0.545 6.977 ( 0.744 0.000 -1.395) 1.581 6.997 ( -1.098 0.000 1.175) 1.608 7.036 ( 0.790 0.000 -2.168) 2.307 11.584 ( -0.647 0.000 0.147) 0.663 11.632 ( -0.865 0.000 1.535) 1.762 11.714 ( 0.490 0.000 1.044) 1.153 11.813 ( -1.540 0.000 1.748) 2.330 11.868 ( -0.312 0.000 1.084) 1.128 11.879 ( 1.487 0.000 0.794) 1.685 11.966 ( 1.591 0.000 -1.774) 2.383 12.007 ( -1.977 0.000 -2.821) 3.445 12.153 ( 0.232 0.000 -2.229) 2.241 12.179 ( 1.235 0.000 -1.299) 1.792 12.345 ( 1.192 0.000 1.981) 2.312 12.616 ( 3.886 0.000 0.480) 3.916 12.729 ( -1.498 0.000 -0.488) 1.576 12.739 ( -1.792 0.000 0.582) 1.884 12.826 ( 0.264 0.000 -0.335) 0.427 12.855 ( -1.108 0.000 0.497) 1.214 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -3.329 0.000 -1.396) 3.610 0.543 ( 0.453 0.000 2.271) 2.315 0.653 ( 3.397 0.000 -3.059) 4.571 0.685 ( -1.761 0.000 -2.452) 3.018 0.709 ( 1.952 0.000 -1.917) 2.736 0.722 ( 2.141 0.000 -3.233) 3.878 0.746 ( 0.541 0.000 -0.722) 0.902 0.806 ( 1.630 0.000 -0.237) 1.647 0.820 ( -2.071 0.000 -0.131) 2.075 0.832 ( 0.391 0.000 -1.375) 1.430 0.865 ( -0.725 0.000 0.399) 0.827 0.881 ( -4.163 0.000 0.075) 4.163 0.961 ( -1.635 0.000 1.753) 2.397 0.971 ( 0.872 0.000 -1.541) 1.771 1.016 ( 0.344 0.000 2.978) 2.998 1.046 ( -0.653 0.000 -0.927) 1.134 1.055 ( -0.118 0.000 0.242) 0.270 1.109 ( -0.274 0.000 1.659) 1.681 1.109 ( 1.641 0.000 2.335) 2.854 1.169 ( -2.376 0.000 -0.511) 2.431 1.192 ( -0.078 0.000 2.591) 2.592 1.258 ( -0.259 0.000 0.784) 0.825 1.312 ( -0.362 0.000 -0.607) 0.707 1.331 ( 4.666 0.000 0.631) 4.708 1.347 ( -2.984 0.000 1.018) 3.153 1.442 ( 0.019 0.000 -3.423) 3.423 1.443 ( -2.722 0.000 -2.536) 3.720 1.497 ( 0.669 0.000 -2.938) 3.014 1.604 ( 0.469 0.000 -1.762) 1.823 1.629 ( 1.019 0.000 -2.535) 2.732 1.670 ( -0.269 0.000 -2.167) 2.184 1.724 ( 2.417 0.000 2.471) 3.457 1.741 ( 2.910 0.000 -0.580) 2.967 1.753 ( -0.995 0.000 0.287) 1.036 1.817 ( -0.559 0.000 -2.051) 2.126 1.833 ( -3.289 0.000 -0.668) 3.357 1.951 ( 0.992 0.000 -2.391) 2.588 1.965 ( -1.578 0.000 1.954) 2.512 2.014 ( 2.156 0.000 4.166) 4.691 2.039 ( 0.458 0.000 -1.188) 1.273 2.104 ( -1.569 0.000 1.384) 2.092 2.127 ( 2.669 0.000 -2.742) 3.826 2.212 ( -3.846 0.000 -0.594) 3.891 2.338 ( 3.834 0.000 -1.910) 4.283 2.759 ( 1.884 0.000 -1.428) 2.364 2.776 ( -2.264 0.000 -0.286) 2.282 2.833 ( -1.480 0.000 -0.344) 1.519 2.840 ( 1.772 0.000 -0.013) 1.772 3.377 ( -0.622 0.000 -0.909) 1.102 3.383 ( 0.878 0.000 -1.506) 1.743 3.450 ( 0.124 0.000 0.624) 0.636 3.548 ( 0.576 0.000 -1.857) 1.944 3.689 ( 0.190 0.000 1.296) 1.310 3.721 ( 3.208 0.000 0.146) 3.211 3.783 ( -2.154 0.000 -1.432) 2.587 3.816 ( -0.871 0.000 -0.632) 1.076 4.315 ( -2.355 0.000 3.775) 4.449 4.335 ( -1.398 0.000 2.706) 3.046 4.346 ( 0.277 0.000 -0.360) 0.454 4.416 ( 1.422 0.000 2.530) 2.902 4.439 ( 1.783 0.000 2.097) 2.752 4.477 ( -1.371 0.000 1.700) 2.184 4.518 ( -1.323 0.000 -2.431) 2.768 4.610 ( 1.494 0.000 1.641) 2.219 5.422 ( -0.620 0.000 1.223) 1.371 5.485 ( -0.123 0.000 -0.919) 0.927 5.558 ( 1.989 0.000 2.326) 3.061 5.661 ( -2.496 0.000 -0.447) 2.536 5.731 ( -1.593 0.000 1.173) 1.978 5.748 ( -1.448 0.000 3.918) 4.177 6.076 ( 4.969 0.000 -7.175) 8.728 6.121 ( 4.780 0.000 -6.456) 8.032 6.568 ( -4.463 0.000 5.925) 7.418 6.594 ( -5.182 0.000 6.563) 8.363 6.844 ( 0.955 0.000 -1.643) 1.900 6.909 ( 0.900 0.000 -1.941) 2.140 6.956 ( -0.260 0.000 -0.794) 0.836 6.990 ( 1.932 0.000 -0.195) 1.942 6.992 ( -0.890 0.000 0.497) 1.020 7.030 ( 1.661 0.000 -2.006) 2.604 11.590 ( 0.318 0.000 1.233) 1.273 11.634 ( -1.197 0.000 1.367) 1.817 11.744 ( -0.075 0.000 2.806) 2.807 11.802 ( -1.878 0.000 0.941) 2.101 11.869 ( -0.751 0.000 0.580) 0.949 11.888 ( -1.671 0.000 0.023) 1.671 11.970 ( 1.238 0.000 -1.408) 1.875 11.981 ( 3.185 0.000 -1.838) 3.677 12.143 ( 1.783 0.000 -1.991) 2.673 12.177 ( 0.839 0.000 -1.894) 2.072 12.387 ( -0.232 0.000 3.760) 3.767 12.635 ( -1.555 0.000 -1.635) 2.256 12.714 ( 1.109 0.000 -0.139) 1.118 12.722 ( -0.853 0.000 0.106) 0.859 12.824 ( 0.120 0.000 -0.464) 0.479 12.837 ( -0.983 0.000 -0.442) 1.078 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.402 ( -5.691 0.000 -4.455) 7.227 0.508 ( -6.780 0.000 -1.155) 6.877 0.658 ( -0.710 0.000 -3.161) 3.240 0.677 ( 2.423 0.000 1.454) 2.825 0.700 ( 0.487 0.000 0.362) 0.607 0.733 ( 4.810 0.000 -3.797) 6.128 0.751 ( 0.397 0.000 -3.427) 3.450 0.771 ( 0.360 0.000 -0.221) 0.422 0.793 ( 0.389 0.000 -3.722) 3.742 0.817 ( -2.573 0.000 0.756) 2.682 0.859 ( -1.270 0.000 1.600) 2.042 0.886 ( 1.862 0.000 0.804) 2.028 0.947 ( -2.418 0.000 1.009) 2.621 0.987 ( 0.401 0.000 1.381) 1.438 0.995 ( -2.437 0.000 -0.321) 2.459 1.048 ( -1.307 0.000 1.295) 1.841 1.067 ( -1.600 0.000 4.342) 4.627 1.098 ( -2.503 0.000 0.003) 2.503 1.131 ( -0.176 0.000 1.641) 1.650 1.176 ( -1.327 0.000 3.719) 3.949 1.200 ( -5.093 0.000 -0.185) 5.097 1.229 ( -0.512 0.000 -2.313) 2.369 1.252 ( -3.490 0.000 -1.579) 3.831 1.318 ( -2.055 0.000 0.940) 2.260 1.357 ( -1.992 0.000 -1.444) 2.460 1.385 ( -1.915 0.000 -2.742) 3.345 1.404 ( 2.330 0.000 0.353) 2.356 1.474 ( 0.166 0.000 -1.507) 1.516 1.583 ( -0.825 0.000 -0.952) 1.260 1.605 ( 0.271 0.000 -2.944) 2.957 1.649 ( 0.619 0.000 -1.438) 1.566 1.674 ( -3.355 0.000 -3.797) 5.067 1.769 ( 0.714 0.000 -1.821) 1.956 1.786 ( -1.005 0.000 0.644) 1.194 1.807 ( 1.962 0.000 3.459) 3.977 1.824 ( 2.262 0.000 -0.869) 2.424 1.921 ( -0.818 0.000 -0.365) 0.895 1.959 ( -2.229 0.000 1.858) 2.902 2.056 ( 1.643 0.000 -0.462) 1.707 2.070 ( -2.680 0.000 0.037) 2.680 2.080 ( 0.898 0.000 -1.676) 1.902 2.129 ( 2.279 0.000 0.011) 2.279 2.160 ( -1.566 0.000 0.542) 1.657 2.406 ( 6.196 0.000 -1.591) 6.397 2.714 ( -2.688 0.000 -2.203) 3.476 2.798 ( 3.496 0.000 0.426) 3.522 2.811 ( -1.147 0.000 -0.233) 1.170 2.880 ( 2.664 0.000 0.235) 2.675 3.353 ( -0.513 0.000 -1.083) 1.199 3.388 ( 1.543 0.000 -0.864) 1.769 3.463 ( 0.059 0.000 0.843) 0.845 3.527 ( 0.314 0.000 -2.397) 2.417 3.712 ( 0.023 0.000 2.149) 2.149 3.714 ( -3.445 0.000 -1.974) 3.970 3.776 ( -1.560 0.000 -2.145) 2.652 3.795 ( 3.954 0.000 1.263) 4.150 4.322 ( -1.975 0.000 3.080) 3.659 4.347 ( -0.572 0.000 1.945) 2.028 4.352 ( 0.233 0.000 0.374) 0.440 4.436 ( -2.067 0.000 -2.073) 2.928 4.467 ( -2.220 0.000 5.507) 5.937 4.503 ( 3.436 0.000 0.298) 3.449 4.532 ( 3.884 0.000 1.143) 4.049 4.651 ( 1.722 0.000 0.711) 1.863 5.431 ( -0.502 0.000 1.771) 1.841 5.478 ( 0.351 0.000 -0.429) 0.554 5.600 ( -3.401 0.000 -1.817) 3.856 5.615 ( 0.771 0.000 2.853) 2.955 5.715 ( -2.298 0.000 1.753) 2.890 5.767 ( -2.100 0.000 3.706) 4.260 6.067 ( 5.144 0.000 -7.239) 8.880 6.112 ( 4.169 0.000 -6.611) 7.816 6.567 ( -4.646 0.000 5.788) 7.421 6.595 ( -4.990 0.000 6.715) 8.366 6.836 ( 0.557 0.000 -1.408) 1.514 6.901 ( 1.474 0.000 -2.482) 2.887 6.945 ( 0.143 0.000 -0.815) 0.827 6.982 ( -0.777 0.000 0.002) 0.777 7.024 ( 2.127 0.000 0.048) 2.127 7.038 ( 2.261 0.000 -1.869) 2.934 11.618 ( 0.582 0.000 1.684) 1.782 11.627 ( -1.398 0.000 0.769) 1.595 11.770 ( -1.011 0.000 2.672) 2.857 11.778 ( -2.071 0.000 0.521) 2.136 11.854 ( -1.867 0.000 0.134) 1.871 11.858 ( -1.728 0.000 0.616) 1.834 11.978 ( 1.822 0.000 -0.975) 2.066 12.034 ( 5.174 0.000 -1.477) 5.381 12.153 ( 2.696 0.000 -2.635) 3.770 12.161 ( 0.604 0.000 -2.317) 2.395 12.437 ( -1.353 0.000 6.882) 7.014 12.555 ( -3.949 0.000 -3.029) 4.977 12.710 ( -0.293 0.000 -0.902) 0.949 12.740 ( 1.421 0.000 0.308) 1.454 12.818 ( -0.427 0.000 -0.664) 0.790 12.820 ( 0.078 0.000 -0.228) 0.241 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.251 ( -8.341 0.000 0.278) 8.346 0.354 ( -9.948 0.000 -0.842) 9.984 0.590 ( -2.159 0.000 -2.497) 3.301 0.691 ( -3.951 0.000 -1.185) 4.125 0.721 ( 1.724 0.000 -0.140) 1.730 0.723 ( -1.610 0.000 0.582) 1.712 0.746 ( 0.154 0.000 -4.135) 4.138 0.756 ( -1.162 0.000 -1.513) 1.908 0.775 ( -4.440 0.000 -1.868) 4.817 0.821 ( 3.359 0.000 3.723) 5.014 0.837 ( -1.404 0.000 -1.843) 2.317 0.869 ( -3.257 0.000 -0.256) 3.267 0.920 ( 1.499 0.000 -0.116) 1.504 0.979 ( -1.847 0.000 1.569) 2.423 0.983 ( -1.416 0.000 0.188) 1.428 1.020 ( -3.648 0.000 1.518) 3.951 1.065 ( -0.993 0.000 0.709) 1.220 1.079 ( -1.422 0.000 2.782) 3.124 1.104 ( -1.845 0.000 3.133) 3.636 1.168 ( -0.987 0.000 2.912) 3.075 1.169 ( -3.961 0.000 1.597) 4.271 1.200 ( 1.005 0.000 -2.522) 2.715 1.227 ( -0.946 0.000 -1.333) 1.635 1.297 ( -0.876 0.000 -0.515) 1.016 1.320 ( -2.670 0.000 -1.238) 2.943 1.346 ( -1.027 0.000 2.796) 2.979 1.415 ( 0.384 0.000 -0.654) 0.758 1.477 ( 0.474 0.000 0.475) 0.671 1.547 ( -2.178 0.000 -0.919) 2.363 1.577 ( 1.246 0.000 -3.328) 3.553 1.609 ( -0.352 0.000 -1.538) 1.578 1.641 ( -0.667 0.000 -0.335) 0.747 1.738 ( -1.240 0.000 -1.343) 1.827 1.791 ( 0.139 0.000 0.577) 0.594 1.822 ( 1.241 0.000 -2.008) 2.361 1.868 ( 0.947 0.000 2.229) 2.421 1.942 ( -2.011 0.000 1.329) 2.411 1.948 ( -0.498 0.000 2.819) 2.863 2.015 ( -0.598 0.000 -1.337) 1.465 2.063 ( 3.158 0.000 -3.679) 4.849 2.082 ( 0.678 0.000 -0.029) 0.678 2.132 ( -2.570 0.000 1.193) 2.833 2.199 ( 2.408 0.000 1.257) 2.717 2.462 ( 5.095 0.000 -5.589) 7.563 2.661 ( -1.656 0.000 -0.161) 1.663 2.785 ( -1.184 0.000 -0.853) 1.459 2.865 ( 2.867 0.000 1.346) 3.167 2.920 ( 2.451 0.000 -0.451) 2.492 3.342 ( 0.537 0.000 -0.440) 0.694 3.405 ( 1.594 0.000 -0.741) 1.758 3.468 ( -0.734 0.000 1.025) 1.261 3.506 ( 0.657 0.000 -1.959) 2.067 3.629 ( -3.954 0.000 -2.071) 4.463 3.735 ( -0.194 0.000 -1.541) 1.554 3.737 ( -0.343 0.000 2.166) 2.193 3.854 ( 2.151 0.000 -0.352) 2.179 4.329 ( -1.276 0.000 2.262) 2.597 4.348 ( -1.332 0.000 -0.325) 1.371 4.365 ( 0.742 0.000 0.653) 0.989 4.390 ( -0.111 0.000 -1.312) 1.316 4.487 ( -2.630 0.000 4.287) 5.030 4.571 ( 3.203 0.000 1.466) 3.522 4.610 ( 4.211 0.000 0.354) 4.226 4.678 ( 1.712 0.000 -0.969) 1.967 5.451 ( -0.154 0.000 2.236) 2.241 5.486 ( 1.327 0.000 -0.433) 1.396 5.519 ( -3.261 0.000 -1.961) 3.805 5.642 ( -1.427 0.000 2.092) 2.533 5.707 ( -2.227 0.000 2.955) 3.700 5.773 ( -2.496 0.000 3.235) 4.086 6.062 ( 5.185 0.000 -6.996) 8.708 6.095 ( 4.097 0.000 -6.608) 7.775 6.564 ( -4.608 0.000 5.630) 7.275 6.599 ( -4.962 0.000 6.862) 8.468 6.829 ( 0.763 0.000 -1.465) 1.652 6.893 ( 1.417 0.000 -2.476) 2.853 6.941 ( 0.315 0.000 -0.575) 0.656 6.971 ( -0.484 0.000 -0.008) 0.484 7.050 ( 2.208 0.000 -1.669) 2.767 7.055 ( 1.797 0.000 -0.607) 1.897 11.611 ( -1.111 0.000 0.103) 1.116 11.641 ( -0.058 0.000 1.208) 1.209 11.755 ( -2.086 0.000 1.151) 2.382 11.780 ( -0.707 0.000 1.569) 1.721 11.813 ( -2.511 0.000 -0.985) 2.697 11.850 ( -1.474 0.000 1.755) 2.291 11.997 ( 2.251 0.000 -2.206) 3.152 12.098 ( 5.182 0.000 -1.985) 5.549 12.145 ( 1.330 0.000 -2.293) 2.651 12.160 ( 2.398 0.000 -2.515) 3.475 12.451 ( -4.352 0.000 -2.697) 5.120 12.524 ( -0.990 0.000 10.298) 10.345 12.686 ( -0.539 0.000 -1.682) 1.767 12.758 ( 0.071 0.000 0.579) 0.584 12.812 ( 0.645 0.000 -0.438) 0.779 12.823 ( 0.116 0.000 0.388) 0.405 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.207 ( -10.048 0.000 5.386) 11.400 0.225 ( -7.478 0.000 12.855) 14.872 0.371 ( -20.656 0.000 1.969) 20.749 0.595 ( -0.255 0.000 -1.018) 1.049 0.661 ( -2.980 0.000 1.292) 3.248 0.690 ( -0.517 0.000 -4.258) 4.289 0.733 ( 0.722 0.000 0.852) 1.117 0.754 ( 2.023 0.000 -1.202) 2.354 0.776 ( 0.215 0.000 2.491) 2.500 0.820 ( -0.386 0.000 -0.267) 0.469 0.887 ( 2.275 0.000 0.194) 2.284 0.924 ( 0.069 0.000 -1.613) 1.615 0.934 ( 4.034 0.000 3.311) 5.218 0.959 ( -1.082 0.000 -0.910) 1.414 0.966 ( -0.780 0.000 0.598) 0.983 1.024 ( -4.661 0.000 -1.627) 4.937 1.031 ( -0.154 0.000 1.675) 1.682 1.044 ( -3.291 0.000 -0.211) 3.298 1.097 ( -2.002 0.000 -0.406) 2.043 1.116 ( -1.939 0.000 -0.945) 2.157 1.156 ( -2.708 0.000 -0.177) 2.714 1.211 ( 0.635 0.000 1.530) 1.657 1.218 ( -0.589 0.000 3.075) 3.131 1.279 ( 1.367 0.000 -2.580) 2.919 1.282 ( -0.612 0.000 -1.309) 1.445 1.395 ( -0.056 0.000 7.147) 7.147 1.421 ( 0.366 0.000 0.810) 0.889 1.482 ( -0.444 0.000 0.309) 0.540 1.518 ( -0.568 0.000 1.526) 1.628 1.569 ( 2.168 0.000 -2.265) 3.135 1.601 ( 0.527 0.000 -0.726) 0.897 1.630 ( -1.156 0.000 2.108) 2.404 1.717 ( -0.043 0.000 0.335) 0.338 1.807 ( 1.030 0.000 -0.056) 1.032 1.830 ( 0.996 0.000 -0.450) 1.093 1.885 ( -2.090 0.000 -0.455) 2.139 1.926 ( -1.170 0.000 -0.195) 1.187 1.929 ( -0.258 0.000 0.118) 0.283 2.009 ( -3.969 0.000 -4.884) 6.293 2.090 ( 2.897 0.000 -0.109) 2.899 2.090 ( 0.805 0.000 -2.019) 2.174 2.096 ( 0.334 0.000 0.503) 0.604 2.230 ( 0.055 0.000 0.575) 0.578 2.364 ( -4.927 0.000 -12.437) 13.378 2.641 ( -1.665 0.000 0.227) 1.681 2.768 ( -0.371 0.000 1.016) 1.082 2.902 ( 0.906 0.000 -0.587) 1.079 2.950 ( 1.720 0.000 -0.039) 1.720 3.354 ( 0.791 0.000 0.185) 0.813 3.422 ( 1.350 0.000 -0.082) 1.353 3.479 ( 0.056 0.000 1.762) 1.763 3.506 ( 1.414 0.000 -0.453) 1.485 3.548 ( -3.109 0.000 -1.027) 3.274 3.733 ( 0.832 0.000 -0.006) 0.832 3.750 ( -1.067 0.000 1.608) 1.930 3.843 ( -1.040 0.000 -1.948) 2.209 4.322 ( -0.585 0.000 -0.380) 0.697 4.328 ( -1.182 0.000 0.443) 1.262 4.388 ( 0.345 0.000 -0.089) 0.357 4.389 ( 1.909 0.000 -0.074) 1.910 4.482 ( -2.935 0.000 1.257) 3.193 4.632 ( 2.044 0.000 0.340) 2.072 4.664 ( 3.124 0.000 -1.419) 3.432 4.678 ( 1.174 0.000 -2.746) 2.987 5.451 ( -1.375 0.000 -0.967) 1.681 5.463 ( -2.032 0.000 -2.466) 3.195 5.506 ( 2.145 0.000 -1.011) 2.371 5.620 ( -3.132 0.000 0.505) 3.172 5.733 ( -0.672 0.000 5.447) 5.488 5.768 ( -2.612 0.000 2.739) 3.785 6.060 ( 5.125 0.000 -6.639) 8.387 6.083 ( 4.565 0.000 -6.458) 7.909 6.560 ( -4.487 0.000 5.604) 7.179 6.604 ( -5.046 0.000 6.752) 8.429 6.824 ( 1.072 0.000 -1.397) 1.760 6.901 ( 2.483 0.000 0.553) 2.544 6.942 ( 0.407 0.000 -0.140) 0.430 6.969 ( -0.194 0.000 0.597) 0.627 7.055 ( 1.426 0.000 -2.247) 2.662 7.076 ( 1.552 0.000 -0.156) 1.560 11.600 ( -0.391 0.000 0.424) 0.577 11.646 ( -0.568 0.000 0.624) 0.844 11.736 ( -1.372 0.000 0.923) 1.654 11.771 ( -1.027 0.000 0.689) 1.236 11.787 ( -0.467 0.000 0.794) 0.921 11.845 ( -1.741 0.000 1.504) 2.301 11.968 ( -1.538 0.000 -3.633) 3.945 12.123 ( 2.248 0.000 -3.100) 3.830 12.179 ( 5.381 0.000 -1.109) 5.494 12.180 ( 2.366 0.000 -0.409) 2.401 12.357 ( -4.040 0.000 -1.706) 4.385 12.539 ( -5.389 0.000 -6.043) 8.097 12.754 ( 5.048 0.000 7.238) 8.825 12.760 ( -0.676 0.000 0.709) 0.979 12.825 ( 0.955 0.000 0.151) 0.967 12.838 ( 0.304 0.000 2.702) 2.719 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.264 ( 3.226 6.657 5.436) 9.180 0.295 ( 3.921 7.661 5.514) 10.221 0.579 ( 0.894 4.023 0.954) 4.230 0.594 ( -0.008 -1.685 -0.144) 1.692 0.629 ( 0.543 2.903 -2.315) 3.752 0.660 ( -0.883 3.770 3.535) 5.243 0.733 ( -0.628 -1.207 -2.458) 2.809 0.789 ( 1.284 0.565 0.763) 1.597 0.817 ( 0.133 -1.096 -0.339) 1.155 0.819 ( 0.323 0.134 -0.362) 0.503 0.842 ( -0.207 0.425 -0.256) 0.538 0.866 ( -1.145 0.187 2.356) 2.626 0.901 ( -0.419 -1.753 0.644) 1.914 0.957 ( 0.077 1.666 0.133) 1.673 0.996 ( -0.377 -0.014 -1.724) 1.765 1.002 ( -1.658 2.482 0.729) 3.073 1.029 ( 0.308 1.258 -0.156) 1.305 1.054 ( -0.962 0.409 -1.245) 1.626 1.070 ( -1.084 1.195 -0.853) 1.825 1.080 ( -0.249 0.452 -1.132) 1.245 1.165 ( -1.752 2.983 -1.036) 3.611 1.213 ( 0.358 -1.383 -0.220) 1.446 1.235 ( -0.213 0.709 3.514) 3.591 1.282 ( -0.513 3.571 1.248) 3.817 1.358 ( 0.825 2.870 -0.504) 3.029 1.387 ( 0.251 -1.629 4.165) 4.480 1.431 ( 1.610 -2.870 3.286) 4.651 1.483 ( -0.715 -0.615 1.526) 1.794 1.576 ( 1.384 -0.959 1.146) 2.037 1.586 ( 0.828 -0.236 -1.568) 1.789 1.610 ( 0.306 0.612 1.426) 1.582 1.663 ( 6.540 -0.014 -0.467) 6.557 1.699 ( -3.909 -1.283 -0.217) 4.120 1.736 ( 0.473 -0.346 0.605) 0.842 1.790 ( 0.883 -1.759 -1.543) 2.501 1.862 ( -0.267 -3.713 -1.058) 3.870 1.877 ( -0.092 0.590 0.292) 0.665 1.911 ( 1.566 1.632 -0.557) 2.329 1.941 ( -2.122 -1.135 -0.092) 2.408 2.041 ( -0.917 0.352 -2.248) 2.453 2.091 ( 1.675 -2.859 2.887) 4.395 2.162 ( 1.194 0.716 1.242) 1.866 2.218 ( -1.761 -0.764 2.461) 3.121 2.268 ( 0.866 -1.139 1.773) 2.279 2.646 ( 0.020 0.035 3.712) 3.712 2.750 ( -0.206 -3.036 2.095) 3.694 2.915 ( 0.270 1.796 -0.918) 2.035 2.981 ( -0.239 0.837 -1.510) 1.743 3.376 ( 0.192 -0.297 0.036) 0.356 3.437 ( -0.670 -0.740 -0.237) 1.026 3.447 ( -1.079 0.037 -0.954) 1.441 3.519 ( 1.460 -0.766 -1.192) 2.035 3.594 ( 2.202 2.642 2.347) 4.164 3.739 ( 0.682 -0.546 0.782) 1.172 3.748 ( -1.716 1.091 0.052) 2.034 3.842 ( 0.792 -0.549 -0.113) 0.970 4.306 ( -1.166 -0.084 -0.458) 1.256 4.329 ( 0.787 0.202 0.496) 0.952 4.380 ( -2.367 -1.342 0.369) 2.746 4.397 ( -0.505 -0.550 0.149) 0.762 4.433 ( 0.201 1.249 -0.327) 1.306 4.589 ( -0.246 -2.382 -0.649) 2.481 4.643 ( -0.054 -0.187 -3.739) 3.744 4.666 ( 1.028 -0.912 -2.713) 3.041 5.354 ( -1.153 -2.591 1.193) 3.077 5.424 ( 1.170 -3.340 0.440) 3.567 5.479 ( 0.353 -2.844 -0.895) 3.002 5.526 ( -1.374 -3.520 -0.593) 3.825 5.771 ( -2.495 2.619 2.623) 4.469 5.803 ( -1.752 2.969 1.723) 3.854 6.078 ( 4.660 1.217 -5.813) 7.550 6.092 ( 4.702 0.761 -5.688) 7.419 6.587 ( -4.261 2.588 5.270) 7.254 6.650 ( -4.765 2.669 4.683) 7.194 6.846 ( 0.951 2.003 -1.354) 2.598 6.943 ( 1.168 0.854 0.282) 1.474 6.955 ( 1.191 -0.597 -0.880) 1.597 6.980 ( -0.140 -0.141 0.155) 0.252 7.033 ( 0.933 -1.012 -2.497) 2.852 7.078 ( 0.548 -1.203 -0.573) 1.441 11.614 ( -0.691 1.108 1.062) 1.683 11.685 ( -0.285 2.037 -0.942) 2.263 11.743 ( -1.636 -2.094 0.095) 2.659 11.754 ( 1.825 -0.572 -0.126) 1.916 11.829 ( -0.185 0.129 2.872) 2.881 11.847 ( -2.966 0.604 2.318) 3.813 12.014 ( 5.525 4.448 -3.745) 8.021 12.121 ( 1.255 0.308 -3.315) 3.558 12.206 ( 2.235 -0.760 0.796) 2.491 12.238 ( 0.791 -1.064 0.153) 1.335 12.296 ( 0.761 0.075 -0.901) 1.182 12.303 ( -6.463 -0.306 -0.969) 6.542 12.742 ( -0.213 -1.675 1.075) 2.002 12.749 ( -1.271 -3.167 2.305) 4.118 12.838 ( -0.731 -0.030 0.844) 1.117 12.842 ( 0.254 -0.036 0.736) 0.780 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 3.872 2.954 5.647) 7.457 0.463 ( 4.920 2.887 3.484) 6.684 0.586 ( 3.571 -0.155 -4.325) 5.611 0.611 ( 1.747 -0.825 -1.091) 2.219 0.633 ( 3.170 0.432 -0.724) 3.280 0.709 ( 2.204 0.241 -1.160) 2.503 0.717 ( 0.647 -0.551 1.716) 1.915 0.811 ( 1.556 -0.454 0.630) 1.739 0.828 ( 2.143 -0.670 -1.241) 2.566 0.836 ( 2.173 -0.708 -0.506) 2.341 0.862 ( 2.464 0.630 0.918) 2.704 0.871 ( 0.241 -2.028 0.442) 2.089 0.919 ( -0.380 1.554 1.328) 2.079 0.958 ( -0.876 0.417 -0.634) 1.159 0.977 ( -0.918 3.045 0.243) 3.189 0.993 ( -0.624 0.990 2.529) 2.787 1.003 ( -1.582 1.598 -0.894) 2.420 1.055 ( 0.918 -0.641 0.792) 1.371 1.070 ( 1.337 0.876 -0.696) 1.744 1.099 ( 2.976 6.084 2.437) 7.198 1.135 ( -0.339 -0.300 -0.479) 0.659 1.211 ( 1.316 2.600 -0.441) 2.947 1.268 ( -0.187 3.622 -1.621) 3.973 1.278 ( 0.162 1.180 1.846) 2.197 1.365 ( -1.019 2.626 2.304) 3.639 1.429 ( -1.263 -0.919 3.394) 3.737 1.474 ( 0.160 -0.666 1.714) 1.846 1.498 ( -0.087 0.662 1.766) 1.888 1.558 ( -0.064 0.055 -2.196) 2.198 1.609 ( 1.034 -2.388 0.105) 2.605 1.640 ( 0.771 -0.094 1.647) 1.822 1.689 ( 1.835 -0.756 -0.774) 2.130 1.736 ( 1.996 -0.374 -0.427) 2.075 1.747 ( 0.609 -0.514 0.150) 0.811 1.788 ( 1.232 -2.206 -0.734) 2.631 1.828 ( -0.967 -2.155 -1.692) 2.906 1.868 ( -1.859 0.251 -2.048) 2.777 1.927 ( 1.299 -1.371 1.794) 2.605 1.943 ( 1.446 -0.269 -0.747) 1.650 2.011 ( 1.110 0.048 -2.013) 2.299 2.135 ( -0.150 -0.480 2.053) 2.114 2.198 ( 0.751 -0.695 0.612) 1.192 2.214 ( -1.770 0.656 2.363) 3.025 2.323 ( 4.546 -3.450 -1.745) 5.968 2.709 ( 0.934 -0.574 4.714) 4.840 2.766 ( -0.514 -3.137 1.339) 3.449 2.901 ( -1.040 2.617 -0.465) 2.854 2.942 ( -1.609 0.563 -2.010) 2.636 3.375 ( -0.482 -0.612 0.217) 0.809 3.418 ( -1.127 0.461 -0.297) 1.253 3.437 ( 0.524 -0.753 0.405) 1.002 3.530 ( 1.459 -1.432 -0.791) 2.192 3.669 ( 1.630 1.588 2.552) 3.420 3.715 ( 0.165 1.963 -0.775) 2.117 3.771 ( 0.264 -0.816 1.702) 1.906 3.828 ( -0.563 -0.856 -2.271) 2.491 4.287 ( -0.831 -0.347 -0.044) 0.902 4.338 ( -2.337 -0.916 0.190) 2.518 4.348 ( 0.605 0.608 -0.075) 0.861 4.405 ( 0.083 -0.789 0.931) 1.223 4.430 ( -0.296 1.096 0.668) 1.317 4.561 ( -0.990 -1.628 -2.976) 3.534 4.588 ( -1.779 -0.189 -2.047) 2.718 4.636 ( -0.207 -1.322 -2.873) 3.170 5.360 ( -0.337 -2.926 1.114) 3.149 5.439 ( 0.019 -5.165 -0.720) 5.215 5.504 ( 2.279 -2.435 0.367) 3.356 5.508 ( 1.839 -1.828 -0.687) 2.683 5.760 ( -2.455 2.895 2.160) 4.368 5.795 ( -1.796 3.087 1.672) 3.943 6.083 ( 4.832 1.066 -5.650) 7.511 6.101 ( 4.988 0.686 -5.498) 7.455 6.585 ( -4.269 2.425 5.484) 7.360 6.634 ( -5.013 2.413 5.529) 7.844 6.843 ( 0.832 1.967 -1.319) 2.510 6.952 ( 0.839 0.943 -1.577) 2.020 6.958 ( 0.512 -0.607 -0.223) 0.825 6.987 ( -0.655 -0.432 1.852) 2.011 7.013 ( 0.476 -0.804 -2.437) 2.610 7.070 ( 0.062 -0.818 -1.338) 1.569 11.617 ( -0.769 0.820 1.267) 1.694 11.667 ( -0.781 2.494 -0.728) 2.713 11.719 ( -1.219 -1.840 -0.203) 2.217 11.788 ( 2.288 -0.661 -0.087) 2.383 11.822 ( -2.797 0.683 2.199) 3.623 11.847 ( -1.572 0.218 2.656) 3.094 12.020 ( 0.066 1.215 -2.761) 3.017 12.108 ( 1.974 -0.296 -2.689) 3.349 12.183 ( -3.932 -1.018 -0.474) 4.089 12.232 ( -0.245 0.874 -2.426) 2.590 12.265 ( 3.236 1.469 0.849) 3.653 12.390 ( 7.292 -0.917 0.429) 7.362 12.741 ( -0.848 -1.357 0.662) 1.732 12.759 ( -0.589 -2.021 1.552) 2.615 12.832 ( -0.869 0.385 0.326) 1.005 12.851 ( -0.469 -0.288 0.985) 1.128 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( 2.939 1.584 1.810) 3.798 0.519 ( 1.573 0.941 -0.558) 1.916 0.627 ( 2.135 -0.493 -1.096) 2.450 0.633 ( 3.026 -3.425 -0.350) 4.583 0.667 ( 4.304 2.676 -3.215) 6.002 0.714 ( -0.011 -1.498 -0.599) 1.614 0.735 ( 0.767 -0.849 0.705) 1.344 0.832 ( 1.159 0.613 0.027) 1.311 0.843 ( 0.242 0.478 0.885) 1.035 0.863 ( 0.979 -0.570 0.132) 1.140 0.889 ( -0.368 0.000 0.975) 1.042 0.919 ( 2.458 -0.902 -1.557) 3.046 0.933 ( -1.258 0.522 2.257) 2.637 0.967 ( 2.893 1.656 0.093) 3.335 0.985 ( -0.019 1.379 0.790) 1.590 0.990 ( 2.327 -1.351 1.365) 3.017 1.001 ( 0.451 0.113 0.559) 0.727 1.071 ( -0.317 -0.204 1.843) 1.882 1.081 ( 0.562 1.348 -1.695) 2.238 1.122 ( 0.822 0.441 -0.290) 0.977 1.211 ( 0.075 3.159 -1.185) 3.375 1.237 ( 5.372 3.724 1.497) 6.706 1.279 ( 2.519 2.841 -0.729) 3.866 1.304 ( 3.476 4.769 0.536) 5.926 1.385 ( -0.186 0.871 2.826) 2.963 1.428 ( -2.546 1.448 2.209) 3.669 1.483 ( -0.545 1.679 1.034) 2.046 1.517 ( 1.100 0.051 0.137) 1.110 1.554 ( 1.204 -1.443 -0.402) 1.922 1.617 ( 0.824 -2.487 -1.065) 2.828 1.662 ( 1.020 -0.734 -1.240) 1.765 1.701 ( 1.241 -0.987 -0.883) 1.815 1.743 ( 2.403 0.558 -4.436) 5.076 1.765 ( -0.562 1.791 0.902) 2.082 1.774 ( -0.780 -2.370 -0.274) 2.510 1.812 ( 1.652 -0.608 -0.739) 1.909 1.845 ( -0.330 -3.718 2.023) 4.246 1.927 ( 0.113 -2.904 -1.261) 3.168 1.987 ( 1.782 -2.012 0.988) 2.864 2.020 ( 1.476 0.105 -0.495) 1.561 2.133 ( -0.997 1.582 -0.221) 1.883 2.182 ( -1.190 3.287 -0.444) 3.523 2.246 ( -0.728 -1.092 3.681) 3.908 2.349 ( 2.314 -2.187 -2.874) 4.289 2.755 ( -0.445 -1.569 0.885) 1.856 2.789 ( 1.009 -1.668 2.321) 3.031 2.859 ( -2.714 1.412 -1.399) 3.364 2.898 ( -1.769 0.784 -0.450) 1.986 3.370 ( -0.302 -0.764 0.176) 0.840 3.407 ( -0.147 0.406 0.184) 0.469 3.448 ( 0.037 -0.509 0.062) 0.514 3.545 ( 1.185 -1.568 -0.506) 2.029 3.666 ( -0.160 0.656 -1.571) 1.709 3.750 ( -0.107 -0.164 -0.629) 0.659 3.775 ( 0.766 0.811 0.703) 1.318 3.813 ( 0.587 0.350 0.907) 1.136 4.282 ( -0.622 -0.393 1.259) 1.458 4.313 ( -1.642 -0.475 1.200) 2.089 4.352 ( 0.182 0.747 -0.077) 0.772 4.400 ( -1.507 0.406 1.035) 1.872 4.445 ( -0.169 0.091 -0.490) 0.526 4.509 ( 0.207 -1.404 -1.529) 2.086 4.538 ( -2.813 -0.699 -0.291) 2.913 4.595 ( -0.991 -1.564 -2.179) 2.859 5.368 ( -0.187 -3.293 0.942) 3.430 5.431 ( 0.149 -4.756 -0.404) 4.776 5.500 ( 1.076 -1.093 -1.629) 2.238 5.592 ( 4.015 -3.132 1.816) 5.407 5.749 ( -2.152 3.195 2.039) 4.358 5.787 ( -1.800 3.222 1.832) 4.121 6.091 ( 4.791 0.913 -5.653) 7.466 6.113 ( 5.046 0.501 -5.640) 7.584 6.586 ( -4.226 2.293 5.588) 7.372 6.626 ( -4.955 2.119 5.976) 8.047 6.844 ( 1.245 1.650 -1.137) 2.359 6.942 ( 0.285 0.816 -1.321) 1.579 6.963 ( 0.418 -0.985 -0.366) 1.131 6.991 ( 0.380 -0.397 -1.935) 2.012 6.996 ( -0.955 -0.140 1.378) 1.682 7.051 ( 0.056 -0.568 -1.892) 1.976 11.613 ( -1.035 0.936 0.080) 1.397 11.650 ( -1.071 2.151 0.840) 2.546 11.702 ( -0.363 -0.919 -0.277) 1.026 11.803 ( -1.271 -0.772 1.528) 2.133 11.829 ( 1.298 -0.771 0.339) 1.547 11.857 ( -0.875 0.183 2.089) 2.272 11.985 ( -0.755 0.528 -1.114) 1.446 12.098 ( 0.207 2.153 -3.636) 4.231 12.125 ( -1.668 -3.280 -0.029) 3.680 12.206 ( 0.784 0.500 -2.711) 2.866 12.327 ( 3.002 2.679 0.786) 4.099 12.509 ( 6.164 -1.517 0.898) 6.411 12.734 ( -0.968 -0.974 0.440) 1.442 12.764 ( -1.006 -0.588 0.915) 1.482 12.823 ( -0.309 0.063 -0.054) 0.320 12.852 ( -0.879 -0.657 0.897) 1.418 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.20 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.013 1.073 1.030) 1.487 0.541 ( 2.733 -0.504 -1.291) 3.065 0.629 ( 0.936 -0.487 -2.050) 2.306 0.651 ( 0.808 -3.387 -1.424) 3.762 0.679 ( 1.283 -0.663 -2.115) 2.561 0.713 ( 2.044 0.456 -1.201) 2.414 0.761 ( 0.632 -0.393 0.790) 1.085 0.825 ( -1.176 0.161 -0.724) 1.390 0.844 ( -1.383 0.993 -0.026) 1.703 0.863 ( -0.605 1.661 -0.087) 1.770 0.907 ( -0.165 0.679 1.290) 1.467 0.927 ( -0.496 -1.610 0.602) 1.789 0.948 ( 1.267 0.476 1.451) 1.984 0.991 ( 0.016 1.333 -0.123) 1.339 1.010 ( 0.252 -0.051 0.730) 0.773 1.027 ( 2.393 0.427 0.294) 2.449 1.047 ( 1.173 -0.689 0.472) 1.440 1.061 ( 1.094 1.908 -0.815) 2.345 1.097 ( -0.842 -1.470 2.609) 3.111 1.156 ( 0.637 -0.253 2.008) 2.122 1.193 ( 2.141 4.578 -2.081) 5.466 1.278 ( 0.704 4.438 -0.207) 4.499 1.319 ( 3.138 3.362 -2.014) 5.021 1.352 ( 2.189 2.513 -0.571) 3.381 1.411 ( 0.477 0.645 0.719) 1.077 1.447 ( -0.117 2.144 2.572) 3.351 1.477 ( -1.102 1.035 -0.696) 1.665 1.533 ( 1.487 0.990 -1.466) 2.310 1.572 ( 1.782 -2.336 -1.001) 3.104 1.608 ( 1.102 -3.129 -2.210) 3.986 1.643 ( 0.413 -1.333 -2.724) 3.060 1.715 ( 2.253 -0.086 -3.215) 3.926 1.728 ( 1.308 0.099 -0.199) 1.326 1.734 ( -0.631 0.225 -0.625) 0.916 1.819 ( 1.294 -1.896 2.647) 3.504 1.836 ( -0.154 -0.822 0.443) 0.946 1.872 ( 1.513 -3.322 0.697) 3.716 1.916 ( -1.420 -3.667 1.278) 4.135 1.991 ( 0.201 -1.359 -1.534) 2.059 2.057 ( 2.995 -1.875 -0.070) 3.534 2.114 ( -0.069 3.584 -0.945) 3.707 2.168 ( -0.399 4.061 0.084) 4.081 2.257 ( -2.784 -0.272 2.224) 3.573 2.331 ( 0.344 -1.446 -2.796) 3.167 2.751 ( 0.360 -0.956 -0.988) 1.422 2.804 ( -0.770 -1.321 -1.344) 2.036 2.816 ( -0.789 0.589 0.729) 1.225 2.869 ( -2.051 0.314 0.376) 2.109 3.370 ( -0.083 -0.638 -0.050) 0.645 3.414 ( 0.747 0.679 -0.144) 1.020 3.436 ( -1.014 -0.731 -0.390) 1.310 3.547 ( 0.580 -1.276 -1.406) 1.985 3.660 ( 1.455 0.199 -0.646) 1.604 3.715 ( -0.705 -0.643 -1.477) 1.758 3.806 ( 0.542 0.906 0.590) 1.209 3.834 ( 0.129 0.732 0.724) 1.037 4.297 ( -0.806 -0.237 2.761) 2.886 4.315 ( -1.461 -0.475 2.906) 3.287 4.353 ( -0.434 0.208 0.626) 0.790 4.394 ( -0.303 0.746 -0.216) 0.833 4.421 ( 0.057 1.191 -0.203) 1.209 4.493 ( -2.216 -0.393 0.554) 2.318 4.535 ( 0.028 -3.053 1.032) 3.223 4.555 ( -0.306 -1.023 -0.942) 1.424 5.378 ( -0.165 -3.216 1.081) 3.397 5.431 ( 0.185 -4.973 -0.227) 4.981 5.506 ( 1.076 -0.079 0.064) 1.081 5.657 ( 1.953 -3.839 0.279) 4.316 5.744 ( -1.813 3.547 2.651) 4.785 5.784 ( -1.672 3.224 2.079) 4.184 6.094 ( 4.495 0.894 -6.043) 7.584 6.122 ( 4.924 0.235 -5.877) 7.670 6.588 ( -4.137 2.224 5.669) 7.362 6.622 ( -4.942 2.095 6.135) 8.151 6.854 ( 1.552 1.335 -1.077) 2.313 6.928 ( -0.328 0.243 -0.839) 0.934 6.962 ( 0.456 -0.463 -0.954) 1.154 6.979 ( 0.953 0.209 -1.514) 1.801 6.993 ( -1.061 -0.405 0.852) 1.420 7.030 ( 0.669 -0.580 -2.139) 2.315 11.598 ( -0.515 1.423 0.230) 1.531 11.650 ( -1.009 1.727 1.522) 2.513 11.706 ( 0.128 -0.795 1.270) 1.504 11.802 ( -1.372 -1.009 1.796) 2.475 11.851 ( 1.100 -2.063 0.229) 2.349 11.862 ( -0.720 -0.731 0.568) 1.173 11.968 ( -0.576 0.407 -0.665) 0.969 12.051 ( 0.321 3.706 -2.900) 4.717 12.110 ( 0.081 -3.146 -1.200) 3.368 12.193 ( 1.359 0.228 -2.051) 2.471 12.377 ( 1.589 2.996 1.364) 3.655 12.595 ( 3.369 -2.221 0.308) 4.047 12.723 ( -0.634 -0.065 -0.008) 0.637 12.748 ( -1.668 0.337 0.221) 1.716 12.821 ( 0.146 -0.360 -0.234) 0.454 12.845 ( -0.960 -0.894 0.344) 1.356 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -2.213 1.262 -0.854) 2.687 0.571 ( 1.760 1.653 1.636) 2.917 0.609 ( 2.613 -2.699 -3.587) 5.194 0.624 ( -1.668 -3.474 -1.747) 4.231 0.681 ( 3.305 -0.518 -3.381) 4.756 0.744 ( 2.022 -0.889 -0.460) 2.256 0.752 ( -0.943 1.416 -1.489) 2.261 0.793 ( -0.854 -1.101 -1.127) 1.792 0.829 ( 0.169 1.260 0.439) 1.345 0.861 ( -0.786 1.918 0.596) 2.156 0.891 ( -3.004 -0.348 0.574) 3.078 0.924 ( -0.164 3.310 -0.328) 3.331 0.974 ( -0.185 0.805 1.208) 1.463 0.981 ( -0.003 1.313 -1.225) 1.796 1.021 ( -0.741 -0.534 2.841) 2.984 1.035 ( -1.245 0.235 -1.183) 1.734 1.055 ( 0.392 0.141 -0.406) 0.581 1.099 ( 0.766 -0.585 2.791) 2.952 1.108 ( -1.288 -1.749 2.203) 3.094 1.153 ( -1.235 1.903 0.798) 2.405 1.235 ( 2.625 0.977 -0.578) 2.860 1.269 ( -1.154 3.723 0.574) 3.939 1.341 ( 0.951 1.937 -1.337) 2.538 1.363 ( 0.776 3.951 -1.008) 4.151 1.419 ( -1.770 0.896 -0.851) 2.158 1.428 ( -2.018 2.516 -1.041) 3.389 1.449 ( 0.430 -0.019 -2.152) 2.195 1.515 ( 0.329 2.330 -3.323) 4.072 1.574 ( 0.631 -2.470 -1.227) 2.829 1.614 ( 0.619 -0.763 -2.721) 2.893 1.620 ( 1.136 -3.887 -0.793) 4.127 1.705 ( 1.757 -3.061 -2.963) 4.608 1.737 ( 2.149 0.392 -0.741) 2.307 1.761 ( 0.909 -1.710 1.219) 2.288 1.796 ( -2.643 0.311 -0.567) 2.721 1.837 ( -2.225 0.264 0.162) 2.246 1.910 ( 0.632 -1.579 1.809) 2.483 1.934 ( 1.113 -4.002 2.796) 5.007 1.976 ( -0.457 -1.734 -0.691) 1.921 2.086 ( 2.337 -2.309 -2.856) 4.353 2.121 ( 0.966 3.331 0.879) 3.578 2.153 ( -1.562 3.733 -0.439) 4.070 2.215 ( -3.706 0.373 0.070) 3.725 2.324 ( 2.725 -1.285 -1.499) 3.365 2.748 ( 0.731 -0.717 -0.767) 1.279 2.780 ( -1.065 0.072 -1.294) 1.678 2.816 ( -0.040 -1.066 0.184) 1.083 2.842 ( 0.200 -0.186 -0.566) 0.628 3.364 ( -0.051 -0.599 -0.508) 0.787 3.407 ( -0.300 1.422 -1.444) 2.049 3.433 ( 0.482 -1.297 0.621) 1.517 3.536 ( 0.657 -1.138 -1.943) 2.345 3.679 ( 0.011 -0.669 0.716) 0.980 3.715 ( 2.335 -0.654 -0.100) 2.427 3.801 ( -0.897 1.471 -0.570) 1.815 3.830 ( -0.899 1.146 -0.394) 1.509 4.316 ( -1.663 0.280 3.404) 3.799 4.329 ( -1.573 -0.235 3.160) 3.538 4.361 ( 0.225 0.770 0.704) 1.067 4.397 ( 0.338 -0.806 1.292) 1.559 4.441 ( 1.450 -0.402 0.462) 1.574 4.487 ( -1.920 0.001 1.169) 2.248 4.500 ( 0.238 -0.896 -0.639) 1.126 4.590 ( 1.596 -1.765 1.735) 2.945 5.385 ( -0.768 -3.083 1.182) 3.390 5.430 ( 0.178 -4.502 -0.192) 4.509 5.535 ( 0.811 -0.844 1.839) 2.180 5.654 ( -1.248 -2.414 -1.253) 2.992 5.756 ( -1.413 2.692 2.846) 4.165 5.786 ( -1.513 3.094 2.481) 4.245 6.087 ( 4.497 0.973 -6.480) 7.947 6.123 ( 4.457 0.070 -6.067) 7.528 6.592 ( -4.211 2.260 5.721) 7.455 6.620 ( -4.820 2.206 6.190) 8.149 6.860 ( 0.864 1.448 -1.254) 2.101 6.918 ( 0.559 0.602 -1.001) 1.296 6.952 ( 0.027 -0.349 -1.159) 1.211 6.983 ( -0.410 -0.631 -0.041) 0.754 6.990 ( 1.479 -0.144 -0.471) 1.559 7.023 ( 1.642 -0.692 -2.066) 2.728 11.606 ( 0.231 1.552 1.288) 2.031 11.652 ( -1.101 1.720 1.414) 2.484 11.731 ( -0.480 -1.202 2.813) 3.097 11.800 ( -1.495 -0.449 1.555) 2.203 11.850 ( -0.990 -1.364 -0.073) 1.687 11.869 ( 0.383 -2.082 0.392) 2.153 11.947 ( 0.203 0.178 -1.303) 1.331 12.037 ( 1.648 2.543 -2.629) 4.012 12.105 ( 1.310 -1.936 -1.119) 2.591 12.195 ( 1.804 0.499 -2.050) 2.776 12.412 ( -0.142 2.442 2.737) 3.671 12.609 ( -1.036 -2.492 -1.399) 3.040 12.717 ( -0.074 0.450 -0.215) 0.505 12.729 ( -0.181 0.456 -0.010) 0.491 12.818 ( -0.070 -0.408 -0.355) 0.545 12.832 ( -0.584 -0.515 -0.240) 0.815 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -3.533 3.562 -5.880) 7.729 0.546 ( -5.301 0.858 -0.634) 5.407 0.629 ( 1.644 0.119 1.282) 2.088 0.645 ( 4.232 -3.739 -1.281) 5.791 0.693 ( 2.413 -1.868 -3.863) 4.922 0.716 ( -0.389 1.149 -1.196) 1.704 0.748 ( -0.176 0.416 -0.196) 0.492 0.786 ( 1.881 0.288 -1.868) 2.666 0.830 ( -0.831 1.776 -1.061) 2.230 0.842 ( -2.647 2.033 1.517) 3.666 0.864 ( -1.140 0.508 1.428) 1.896 0.917 ( -0.080 2.418 -1.534) 2.864 0.956 ( -1.584 0.309 1.067) 1.934 0.988 ( -0.413 0.821 0.151) 0.932 0.994 ( -1.398 0.024 0.452) 1.469 1.046 ( -1.373 -0.626 3.236) 3.571 1.053 ( -0.753 0.120 0.501) 0.912 1.094 ( -2.656 -0.836 2.163) 3.526 1.145 ( -1.568 -0.336 3.208) 3.586 1.155 ( 0.591 0.513 1.458) 1.654 1.235 ( -1.310 2.517 -1.011) 3.012 1.263 ( -1.944 0.953 -0.179) 2.173 1.293 ( -5.955 4.903 -2.779) 8.199 1.323 ( -1.672 -1.172 -2.176) 2.984 1.341 ( -1.947 2.687 -0.149) 3.322 1.412 ( -0.165 -0.086 -1.416) 1.428 1.421 ( 0.398 1.945 -3.361) 3.904 1.484 ( -0.152 1.328 -1.568) 2.060 1.569 ( -0.006 -0.767 -0.320) 0.831 1.590 ( 0.969 -1.024 -2.671) 3.020 1.610 ( -0.247 -3.009 -1.824) 3.528 1.685 ( -0.200 -0.663 -2.677) 2.765 1.735 ( -0.061 -3.459 -2.696) 4.386 1.760 ( 0.817 -2.410 -0.336) 2.567 1.815 ( 0.611 0.554 1.139) 1.406 1.825 ( 0.472 1.565 3.230) 3.620 1.915 ( -1.072 -0.115 0.948) 1.436 1.955 ( -2.135 -2.206 0.166) 3.075 1.996 ( 1.309 -3.641 2.334) 4.518 2.075 ( 1.580 -1.341 -3.292) 3.890 2.104 ( -2.857 2.283 -1.945) 4.143 2.146 ( 1.240 1.842 0.495) 2.275 2.180 ( -1.364 1.847 1.787) 2.910 2.362 ( 3.468 -3.459 -1.630) 5.162 2.708 ( -2.707 -0.523 -2.037) 3.428 2.767 ( -0.842 -2.236 -0.220) 2.400 2.827 ( 3.106 0.876 0.043) 3.228 2.877 ( 3.049 -0.385 0.159) 3.078 3.360 ( 0.184 -0.303 -0.428) 0.556 3.392 ( 0.500 1.021 -0.803) 1.392 3.445 ( 0.051 -1.301 0.386) 1.358 3.520 ( 0.660 -0.656 -2.131) 2.325 3.679 ( -0.985 -0.768 0.285) 1.281 3.748 ( 1.136 -1.422 -0.877) 2.020 3.776 ( -2.005 2.720 -0.109) 3.381 3.816 ( 0.956 1.140 0.220) 1.504 4.327 ( -1.926 0.570 3.036) 3.640 4.346 ( -0.334 0.075 2.100) 2.128 4.370 ( 0.085 1.489 0.387) 1.541 4.415 ( -1.093 -1.796 -0.307) 2.125 4.438 ( -1.892 -2.275 2.184) 3.678 4.493 ( 3.312 -1.093 0.067) 3.488 4.550 ( 2.682 1.294 2.066) 3.624 4.635 ( 1.819 -1.483 0.953) 2.533 5.384 ( -1.121 -3.434 1.238) 3.819 5.436 ( 0.516 -3.990 0.185) 4.027 5.563 ( -0.774 -2.252 1.779) 2.973 5.600 ( -2.885 -1.410 -1.241) 3.443 5.764 ( -1.661 3.140 2.518) 4.354 5.796 ( -1.436 2.565 2.811) 4.067 6.080 ( 4.718 1.086 -6.546) 8.142 6.115 ( 3.977 0.175 -6.143) 7.320 6.594 ( -4.335 2.459 5.654) 7.537 6.622 ( -4.512 2.354 6.368) 8.152 6.855 ( 0.557 1.852 -1.075) 2.213 6.915 ( 1.340 1.261 -2.094) 2.788 6.941 ( 0.254 -0.442 -0.851) 0.992 6.973 ( -0.586 -0.873 -0.076) 1.055 7.016 ( 1.953 -0.741 -0.270) 2.106 7.030 ( 2.330 -0.776 -2.007) 3.172 11.624 ( -0.769 1.014 1.336) 1.845 11.657 ( 0.117 2.487 1.287) 2.803 11.747 ( -1.944 -1.766 2.548) 3.659 11.796 ( -1.120 1.013 1.190) 1.923 11.833 ( -0.775 -0.834 -0.246) 1.165 11.866 ( -1.699 -0.604 1.066) 2.095 11.954 ( 2.182 -1.305 -1.019) 2.739 12.041 ( 3.040 -1.264 -2.448) 4.102 12.119 ( 1.965 0.098 -1.213) 2.311 12.196 ( 2.088 1.086 -3.063) 3.863 12.445 ( -1.659 0.811 5.177) 5.497 12.543 ( -3.549 -1.269 -2.559) 4.556 12.707 ( -0.522 -0.027 -0.558) 0.764 12.739 ( 0.737 -0.308 0.014) 0.799 12.813 ( 0.034 -0.089 -0.232) 0.251 12.824 ( -0.015 0.032 -0.291) 0.293 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.301 ( -3.316 6.840 -6.169) 9.790 0.451 ( -6.703 5.008 1.025) 8.430 0.632 ( 0.307 2.125 -2.130) 3.024 0.658 ( -2.233 -1.630 -0.697) 2.851 0.682 ( 0.809 -3.582 -1.890) 4.130 0.703 ( 1.005 -0.909 0.589) 1.478 0.774 ( -1.642 1.865 -1.936) 3.150 0.778 ( 0.164 2.671 -1.844) 3.250 0.789 ( 0.136 0.581 0.202) 0.630 0.839 ( -2.401 1.595 3.274) 4.362 0.859 ( -0.945 0.519 0.634) 1.251 0.895 ( -1.165 3.109 -0.467) 3.353 0.932 ( -3.440 1.545 -1.383) 4.017 0.975 ( -0.952 -1.704 1.982) 2.782 0.990 ( -0.963 0.661 0.174) 1.181 1.006 ( -3.457 1.395 1.088) 3.883 1.064 ( -1.020 -0.263 2.430) 2.649 1.103 ( -0.756 0.612 1.827) 2.070 1.123 ( -2.932 1.983 2.367) 4.258 1.156 ( -3.031 -1.040 0.880) 3.323 1.185 ( -0.760 1.633 0.273) 1.822 1.210 ( -0.676 0.440 -1.630) 1.818 1.252 ( -1.179 2.109 0.454) 2.458 1.260 ( -2.187 -0.895 -2.045) 3.125 1.326 ( -1.655 1.338 2.225) 3.079 1.378 ( -0.540 0.002 -2.104) 2.173 1.391 ( 0.176 -0.685 -2.556) 2.652 1.471 ( -0.341 0.166 -0.050) 0.383 1.566 ( 0.019 0.846 -0.291) 0.895 1.578 ( 1.348 -0.320 -2.373) 2.748 1.586 ( 0.262 -1.176 -1.476) 1.906 1.655 ( -1.101 0.635 -0.802) 1.503 1.712 ( 0.477 -2.422 -1.076) 2.693 1.766 ( 1.121 -2.387 -0.825) 2.763 1.838 ( 0.773 0.688 -0.013) 1.035 1.862 ( -0.775 -1.642 1.929) 2.649 1.908 ( -1.625 -2.375 0.717) 2.966 1.925 ( -0.985 -1.085 0.717) 1.631 2.016 ( 0.031 -0.825 -2.152) 2.305 2.035 ( -1.657 -0.897 0.284) 1.905 2.086 ( 3.328 0.508 -2.292) 4.072 2.145 ( -2.460 -0.134 0.920) 2.629 2.213 ( 1.011 1.620 2.631) 3.251 2.366 ( -0.432 -6.121 -2.865) 6.772 2.651 ( -2.008 -0.502 -0.692) 2.183 2.742 ( -1.226 -3.446 -0.399) 3.679 2.889 ( 2.800 1.493 0.490) 3.211 2.929 ( 3.385 0.333 0.112) 3.403 3.360 ( 0.696 0.159 -0.415) 0.826 3.405 ( 1.553 0.982 0.057) 1.839 3.444 ( -0.592 -1.734 0.576) 1.920 3.510 ( 0.941 0.044 -1.664) 1.913 3.645 ( -2.520 1.377 -1.474) 3.228 3.728 ( -0.326 -0.555 -1.192) 1.355 3.762 ( -0.663 1.804 1.008) 2.170 3.846 ( 1.155 -0.771 0.137) 1.395 4.331 ( -1.363 0.242 1.722) 2.209 4.355 ( -1.744 0.303 0.030) 1.770 4.372 ( 0.694 0.527 0.493) 1.001 4.391 ( 0.686 0.571 -0.799) 1.197 4.452 ( -2.172 -2.780 3.569) 5.018 4.549 ( 2.931 -1.989 0.438) 3.569 4.618 ( 3.414 0.491 0.517) 3.488 4.667 ( 1.823 -1.026 -0.633) 2.185 5.382 ( -1.013 -4.093 1.204) 4.386 5.446 ( 0.163 -4.474 -0.151) 4.479 5.519 ( -2.903 -0.536 -0.834) 3.067 5.577 ( -1.979 -3.595 1.491) 4.366 5.768 ( -1.902 3.546 2.773) 4.887 5.805 ( -1.634 2.505 2.490) 3.892 6.077 ( 4.800 1.213 -6.318) 8.027 6.102 ( 3.890 0.464 -6.063) 7.219 6.594 ( -4.312 2.650 5.472) 7.454 6.634 ( -3.923 2.684 6.601) 8.134 6.852 ( 0.778 2.193 -1.306) 2.669 6.908 ( 1.247 1.306 -2.108) 2.776 6.940 ( 0.710 -0.027 -0.615) 0.939 6.966 ( -0.076 -0.474 0.022) 0.480 7.039 ( 1.803 -1.154 -1.068) 2.393 7.045 ( 2.154 -0.926 -1.364) 2.712 11.615 ( -1.244 0.960 0.549) 1.665 11.682 ( 0.986 2.848 0.754) 3.107 11.739 ( -2.380 -1.369 2.282) 3.570 11.790 ( -1.066 0.900 0.632) 1.532 11.812 ( -1.371 0.031 -0.962) 1.675 11.857 ( -1.688 -0.019 2.184) 2.761 11.976 ( 2.621 -1.307 -1.928) 3.506 12.080 ( 4.450 -2.670 -0.903) 5.268 12.135 ( 2.387 1.091 -1.887) 3.233 12.184 ( 1.909 0.928 -3.828) 4.377 12.446 ( -4.372 -0.449 -1.777) 4.741 12.487 ( -3.096 -2.650 6.337) 7.535 12.688 ( -0.644 0.384 -0.573) 0.943 12.747 ( -0.250 -1.034 0.631) 1.237 12.815 ( 0.684 0.258 -0.375) 0.821 12.826 ( 0.202 0.193 0.323) 0.427 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( -1.207 9.670 -1.110) 9.808 0.343 ( -9.724 6.788 1.084) 11.908 0.585 ( -6.019 7.088 1.848) 9.481 0.616 ( -1.216 0.765 -0.996) 1.748 0.653 ( -4.228 6.051 1.970) 7.640 0.663 ( 0.781 -2.668 -3.307) 4.320 0.735 ( 0.439 0.704 1.185) 1.446 0.766 ( 1.726 0.764 -1.841) 2.637 0.801 ( 0.120 1.869 2.207) 2.895 0.830 ( -1.098 0.866 -0.479) 1.478 0.855 ( -0.175 -0.991 1.066) 1.466 0.899 ( -2.188 -1.782 -0.844) 2.945 0.906 ( -1.769 -3.491 1.962) 4.378 0.974 ( -0.422 1.623 -1.036) 1.971 0.992 ( 0.056 2.230 0.547) 2.296 0.999 ( 1.649 1.767 1.791) 3.008 1.053 ( -1.586 1.079 -0.216) 1.931 1.077 ( -1.580 -0.665 -2.269) 2.844 1.093 ( -2.846 -0.160 -0.459) 2.887 1.137 ( -2.728 0.102 -0.008) 2.730 1.165 ( 0.367 -1.372 1.764) 2.265 1.193 ( -2.030 3.897 2.548) 5.080 1.239 ( 0.985 -1.228 -1.878) 2.451 1.261 ( -0.045 2.522 2.118) 3.293 1.343 ( 0.230 1.703 1.693) 2.412 1.360 ( -1.051 -1.839 -0.457) 2.167 1.368 ( -0.064 -2.431 2.393) 3.412 1.472 ( -0.489 -0.717 1.438) 1.680 1.562 ( 0.564 0.441 -0.530) 0.891 1.574 ( 0.425 0.845 -0.591) 1.116 1.587 ( 2.249 1.263 -1.483) 2.975 1.629 ( -0.862 0.366 -0.274) 0.976 1.719 ( 0.688 0.116 0.272) 0.749 1.779 ( 1.766 -3.355 -1.021) 3.927 1.817 ( -4.302 -4.545 -2.388) 6.699 1.854 ( 0.420 -0.735 0.650) 1.067 1.891 ( -0.406 -1.962 -0.752) 2.140 1.919 ( -0.974 -0.709 -0.393) 1.267 1.996 ( -1.750 -1.136 -1.278) 2.447 2.028 ( 1.294 -1.758 0.316) 2.206 2.080 ( -2.064 -0.337 -0.644) 2.188 2.138 ( 1.597 0.974 0.192) 1.881 2.248 ( -0.348 1.258 1.792) 2.217 2.269 ( -7.548 -3.435 0.249) 8.297 2.626 ( -1.503 -0.230 1.392) 2.062 2.732 ( -0.249 -3.015 0.982) 3.181 2.915 ( 0.989 1.192 -0.581) 1.654 2.978 ( 2.267 0.721 -0.429) 2.417 3.370 ( 0.798 -0.337 -0.259) 0.904 3.438 ( 1.748 1.010 0.025) 2.019 3.450 ( 0.286 -1.605 0.757) 1.798 3.510 ( 1.268 0.403 -1.032) 1.684 3.583 ( -1.974 2.648 -1.131) 3.491 3.722 ( 0.483 -1.102 -0.295) 1.239 3.767 ( -0.870 1.448 1.372) 2.176 3.840 ( -0.800 -0.248 -0.675) 1.076 4.323 ( -0.439 0.131 -0.082) 0.465 4.330 ( -1.450 0.169 0.189) 1.472 4.388 ( 0.197 -0.181 0.265) 0.377 4.400 ( 1.084 0.785 -0.342) 1.381 4.446 ( -2.468 -1.855 1.488) 3.427 4.587 ( 1.170 -2.934 0.157) 3.162 4.661 ( 2.606 -0.342 -1.669) 3.114 4.674 ( 1.339 -0.607 -2.310) 2.738 5.374 ( -1.851 -4.296 0.640) 4.722 5.424 ( -1.076 -3.282 -0.693) 3.523 5.491 ( -0.323 -1.936 -0.828) 2.130 5.555 ( -2.515 -4.408 1.153) 5.204 5.772 ( -2.123 3.279 3.118) 4.998 5.806 ( -1.654 2.784 2.071) 3.844 6.077 ( 4.682 1.258 -6.028) 7.735 6.092 ( 4.245 0.687 -5.938) 7.332 6.591 ( -4.285 2.658 5.225) 7.261 6.656 ( -3.346 2.603 5.542) 6.977 6.847 ( 1.026 2.239 -1.594) 2.934 6.914 ( 1.544 1.358 -0.147) 2.061 6.946 ( 1.034 0.104 -0.632) 1.216 6.973 ( 0.649 0.001 0.199) 0.679 7.044 ( 1.395 -1.146 -2.201) 2.847 7.065 ( 1.572 -1.113 -0.345) 1.956 11.610 ( -0.304 1.153 0.721) 1.394 11.699 ( 0.597 1.367 -0.646) 1.626 11.733 ( -0.930 0.062 1.479) 1.748 11.773 ( -1.131 -0.715 -1.291) 1.859 11.788 ( -0.450 1.366 2.086) 2.534 11.858 ( -1.700 0.621 1.995) 2.694 11.988 ( 2.502 2.065 -2.613) 4.165 12.138 ( 2.497 0.971 -3.770) 4.626 12.152 ( 3.867 -1.885 0.519) 4.333 12.183 ( 3.525 -0.231 -2.001) 4.060 12.357 ( -4.313 0.106 -1.217) 4.483 12.454 ( -8.003 -5.399 0.533) 9.669 12.704 ( 0.145 -1.413 4.089) 4.329 12.748 ( -0.826 -1.264 1.008) 1.815 12.826 ( 0.797 0.129 0.201) 0.832 12.835 ( -0.036 0.075 0.744) 0.748 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 5.108 7.259 -1.628) 9.025 0.455 ( -0.984 8.180 1.353) 8.349 0.531 ( 2.039 -4.023 -1.241) 4.678 0.589 ( 0.547 -4.068 -1.856) 4.505 0.645 ( 0.088 2.198 -1.990) 2.967 0.690 ( 0.654 -2.376 -2.696) 3.653 0.736 ( 1.457 1.459 -1.157) 2.365 0.771 ( 1.589 -2.169 0.059) 2.689 0.795 ( -1.539 0.118 -0.808) 1.743 0.811 ( -0.458 -1.224 -1.069) 1.688 0.843 ( 0.764 0.898 -0.377) 1.238 0.857 ( -0.549 -0.764 -0.182) 0.958 0.961 ( -0.873 3.273 1.596) 3.745 0.996 ( -1.320 0.207 -1.025) 1.683 1.010 ( -1.540 0.495 1.755) 2.387 1.024 ( -0.875 -1.022 0.264) 1.371 1.049 ( -0.966 1.697 -0.714) 2.080 1.055 ( -0.120 0.919 -0.368) 0.997 1.083 ( -1.275 0.881 -1.712) 2.309 1.113 ( 0.265 0.341 1.235) 1.308 1.178 ( 0.729 2.947 1.117) 3.235 1.242 ( 0.438 0.511 3.950) 4.007 1.270 ( -1.793 2.500 3.186) 4.429 1.320 ( 1.478 -1.782 2.744) 3.591 1.371 ( 2.070 -0.122 4.007) 4.512 1.393 ( 0.181 -0.052 2.790) 2.796 1.421 ( -0.260 5.266 -0.658) 5.314 1.482 ( 0.437 0.671 1.402) 1.615 1.547 ( 0.489 -1.959 -0.577) 2.100 1.568 ( -0.263 -3.157 -1.006) 3.324 1.639 ( 1.220 0.951 0.254) 1.567 1.645 ( 2.827 -1.035 0.263) 3.022 1.672 ( -0.360 0.493 1.202) 1.348 1.719 ( 0.260 -2.429 -0.545) 2.503 1.765 ( 0.656 -0.156 -0.971) 1.182 1.787 ( 0.652 -2.516 -0.576) 2.662 1.889 ( -0.938 0.844 0.250) 1.286 1.908 ( -1.021 -1.099 0.102) 1.503 1.963 ( 1.582 2.608 -1.656) 3.471 2.017 ( 2.665 -2.759 -0.945) 3.950 2.079 ( -1.802 1.847 1.220) 2.854 2.134 ( -0.424 -3.328 0.610) 3.410 2.232 ( -2.074 2.238 3.236) 4.448 2.263 ( -1.228 -0.618 2.111) 2.519 2.656 ( -0.168 1.148 3.137) 3.345 2.693 ( -0.383 -2.608 2.448) 3.597 2.951 ( 0.405 1.798 -0.578) 1.931 2.979 ( 0.024 -0.947 -0.967) 1.354 3.370 ( -0.836 0.238 0.941) 1.281 3.393 ( -1.273 -2.054 0.982) 2.608 3.477 ( 0.763 1.573 -2.340) 2.921 3.503 ( 1.160 -1.052 -2.035) 2.568 3.652 ( 1.725 3.109 1.865) 4.015 3.706 ( 1.277 -2.317 1.529) 3.056 3.788 ( -1.467 2.230 -0.566) 2.729 3.824 ( -0.499 -1.423 -0.369) 1.552 4.313 ( -1.250 0.738 -0.354) 1.494 4.329 ( -0.154 -0.530 0.196) 0.586 4.363 ( -1.237 0.075 0.100) 1.243 4.379 ( -0.260 -1.179 0.280) 1.240 4.472 ( 0.585 2.718 -0.768) 2.885 4.533 ( 0.476 -3.265 -0.921) 3.425 4.640 ( 0.164 0.026 -3.292) 3.296 4.648 ( 0.569 -0.753 -2.947) 3.094 5.320 ( -0.541 -0.314 0.612) 0.875 5.350 ( 0.087 -3.239 -0.004) 3.240 5.448 ( 0.024 -0.344 -0.225) 0.411 5.466 ( -0.386 -2.191 -0.283) 2.243 5.823 ( -1.844 2.091 1.793) 3.315 5.840 ( -1.512 0.553 1.500) 2.201 6.099 ( 4.067 0.730 -5.086) 6.553 6.103 ( 4.110 0.254 -5.014) 6.488 6.643 ( -4.076 2.735 4.838) 6.892 6.675 ( -4.345 -0.239 4.833) 6.504 6.894 ( 1.064 2.610 -1.557) 3.220 6.935 ( 1.209 -1.468 -1.046) 2.171 6.973 ( -0.263 1.036 0.796) 1.333 6.977 ( 0.054 0.122 -0.264) 0.296 7.015 ( 1.332 0.021 -2.025) 2.424 7.046 ( 1.020 -2.091 -0.822) 2.468 11.643 ( -0.882 1.791 1.126) 2.292 11.679 ( -0.989 -1.798 0.979) 2.273 11.734 ( 0.071 0.542 -0.789) 0.960 11.744 ( 1.502 -0.482 -0.478) 1.648 11.839 ( -1.671 0.810 2.868) 3.417 11.851 ( -2.740 -0.253 2.585) 3.775 12.074 ( 1.651 2.259 -2.445) 3.716 12.113 ( 0.138 -1.544 -2.362) 2.825 12.199 ( 4.027 0.664 -0.344) 4.096 12.219 ( 3.600 -1.048 -0.567) 3.792 12.300 ( -1.528 0.234 -0.802) 1.742 12.302 ( -2.812 0.001 -1.038) 2.998 12.711 ( -0.522 -0.426 1.688) 1.818 12.719 ( -0.598 -1.054 0.862) 1.488 12.840 ( -0.091 0.088 0.523) 0.538 12.841 ( -0.033 -0.074 0.549) 0.555 ======================= Grid point 62 (33/63) ======================= q-point: ( 0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.476 ( 2.982 4.778 0.561) 5.660 0.514 ( 4.464 2.207 1.137) 5.108 0.564 ( -0.449 -2.781 -0.505) 2.862 0.572 ( 4.608 -1.432 -2.686) 5.522 0.662 ( 3.925 0.913 -1.494) 4.298 0.681 ( 0.488 -1.091 -0.888) 1.489 0.749 ( 1.320 1.955 -1.657) 2.882 0.786 ( 1.474 -1.974 -1.417) 2.842 0.797 ( 3.137 -0.993 -0.721) 3.369 0.811 ( 2.574 -1.420 0.226) 2.949 0.854 ( 0.641 0.658 0.121) 0.926 0.870 ( 2.300 -0.439 0.352) 2.367 0.954 ( -1.821 1.839 1.224) 2.862 0.974 ( -0.988 0.917 0.227) 1.367 1.000 ( -1.793 -0.594 1.351) 2.322 1.016 ( -0.293 -0.511 -0.368) 0.695 1.035 ( -0.811 1.966 -1.387) 2.539 1.053 ( -0.502 0.796 0.127) 0.949 1.076 ( 2.616 0.059 -0.405) 2.648 1.103 ( 0.355 -2.287 -0.600) 2.391 1.222 ( 1.282 4.913 1.726) 5.363 1.280 ( -0.623 -1.202 0.913) 1.633 1.297 ( 1.566 4.969 2.429) 5.748 1.349 ( 1.419 1.472 0.186) 2.053 1.411 ( -0.801 3.097 3.934) 5.071 1.434 ( 0.579 0.871 2.181) 2.418 1.463 ( 1.208 0.689 1.841) 2.307 1.517 ( 0.836 0.615 2.183) 2.417 1.544 ( -0.835 -2.354 -0.198) 2.505 1.558 ( 0.749 -1.606 0.358) 1.808 1.656 ( 0.693 1.420 -0.035) 1.580 1.678 ( 1.387 -0.343 -1.402) 2.001 1.699 ( 0.861 -1.635 0.637) 1.955 1.711 ( -0.360 -2.523 0.875) 2.695 1.770 ( 1.762 -0.236 -1.010) 2.045 1.786 ( 1.069 -1.851 -1.748) 2.762 1.864 ( -2.144 0.282 -0.620) 2.249 1.891 ( -0.557 -2.035 -0.075) 2.112 1.978 ( 1.232 2.957 -1.811) 3.680 2.012 ( 0.732 -0.222 -3.134) 3.226 2.114 ( 1.650 -0.744 3.455) 3.901 2.144 ( 0.710 -3.401 2.027) 4.023 2.251 ( -0.605 2.307 2.096) 3.175 2.285 ( 1.068 -1.194 1.278) 2.049 2.702 ( 0.385 0.038 3.747) 3.767 2.718 ( -0.259 -1.703 2.495) 3.031 2.938 ( -1.295 1.181 -0.639) 1.866 2.949 ( -1.811 -0.031 -1.463) 2.329 3.364 ( -1.045 0.023 0.805) 1.320 3.385 ( -1.084 -1.984 0.957) 2.455 3.467 ( 1.059 2.119 -1.352) 2.728 3.503 ( 1.524 -1.513 -1.474) 2.604 3.708 ( 0.442 2.204 1.712) 2.825 3.746 ( 0.243 -1.483 1.730) 2.291 3.759 ( 0.560 2.169 -0.864) 2.401 3.801 ( -0.163 -1.860 -1.367) 2.314 4.290 ( -1.073 0.771 -0.088) 1.324 4.314 ( -1.470 -1.466 0.054) 2.077 4.364 ( 0.483 0.999 0.397) 1.179 4.385 ( 0.106 -1.155 0.785) 1.401 4.464 ( -0.512 2.386 -0.458) 2.483 4.517 ( -0.582 -2.763 -1.584) 3.237 4.589 ( -1.264 0.474 -3.155) 3.432 4.608 ( -0.646 -1.352 -3.108) 3.450 5.321 ( -0.408 -0.545 0.542) 0.870 5.349 ( -0.163 -3.407 -0.175) 3.415 5.468 ( 1.998 -0.898 -0.131) 2.195 5.473 ( 2.348 -1.336 -0.206) 2.709 5.815 ( -1.875 2.212 1.727) 3.375 5.833 ( -1.601 0.521 1.512) 2.263 6.103 ( 4.213 0.773 -4.985) 6.573 6.110 ( 4.279 0.088 -4.875) 6.488 6.638 ( -4.095 2.516 4.933) 6.887 6.664 ( -4.492 0.166 4.949) 6.686 6.890 ( 0.709 2.641 -1.423) 3.083 6.936 ( 0.595 -1.801 -1.043) 2.164 6.968 ( -0.272 0.424 -0.526) 0.728 6.977 ( -0.322 -0.570 0.597) 0.886 7.012 ( 0.897 1.230 -1.332) 2.023 7.045 ( 0.461 -1.715 -1.137) 2.109 11.642 ( -0.958 1.572 1.134) 2.162 11.674 ( -0.836 -1.646 0.617) 1.947 11.723 ( -0.327 2.217 -0.868) 2.403 11.764 ( 1.280 -1.798 -0.646) 2.300 11.839 ( -2.124 0.862 2.234) 3.201 11.848 ( -1.229 -0.064 2.464) 2.755 12.040 ( -2.348 1.325 -1.084) 2.905 12.078 ( -1.632 -2.417 -0.802) 3.025 12.196 ( -0.823 1.734 -2.250) 2.958 12.225 ( -0.157 -1.114 -2.063) 2.350 12.313 ( 5.056 2.791 -0.155) 5.777 12.361 ( 6.379 -2.050 0.072) 6.701 12.720 ( -0.428 -0.425 1.011) 1.177 12.728 ( 0.062 -1.100 1.192) 1.624 12.839 ( -0.670 0.295 0.355) 0.813 12.845 ( -0.534 -0.339 0.582) 0.860 ======================= Grid point 63 (34/63) ======================= q-point: ( 0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( 1.153 0.718 -1.089) 1.741 0.544 ( 0.906 0.073 -0.893) 1.274 0.580 ( 3.059 0.058 -0.944) 3.202 0.619 ( 3.199 -0.982 -0.959) 3.481 0.690 ( 1.489 -0.334 1.503) 2.142 0.703 ( 2.717 -0.112 -1.380) 3.049 0.734 ( 0.034 1.688 -2.215) 2.785 0.789 ( 1.294 -3.924 -1.483) 4.390 0.852 ( 3.024 1.125 0.504) 3.266 0.860 ( 1.302 0.673 0.825) 1.682 0.909 ( 2.933 -0.210 0.986) 3.101 0.912 ( 1.885 -0.587 0.463) 2.028 0.936 ( -2.944 1.456 2.067) 3.881 0.966 ( -0.279 -0.400 0.945) 1.064 0.992 ( 0.385 0.292 0.049) 0.485 1.014 ( 0.953 0.936 -0.829) 1.572 1.021 ( 0.920 0.741 0.382) 1.242 1.045 ( -0.663 -1.472 0.510) 1.693 1.111 ( 1.740 0.941 -0.484) 2.036 1.119 ( 2.040 -0.324 -0.075) 2.067 1.262 ( 1.789 1.905 -0.662) 2.696 1.284 ( 2.010 -0.400 0.449) 2.098 1.342 ( 1.458 4.283 0.595) 4.563 1.393 ( 3.172 1.182 0.071) 3.386 1.425 ( -1.138 3.150 0.069) 3.350 1.475 ( 0.543 2.561 3.236) 4.163 1.490 ( 0.612 -0.871 0.769) 1.313 1.529 ( -0.472 -0.042 0.027) 0.474 1.545 ( 0.738 2.027 -0.047) 2.158 1.583 ( 1.133 -0.815 0.161) 1.405 1.659 ( 0.050 -0.103 -1.134) 1.140 1.672 ( 1.573 -1.806 -1.468) 2.808 1.713 ( 1.598 -1.877 -0.818) 2.597 1.727 ( 0.177 -2.200 0.797) 2.347 1.778 ( 0.532 0.678 -0.919) 1.260 1.797 ( 1.757 -1.063 -0.297) 2.075 1.835 ( -0.175 1.474 -0.280) 1.511 1.875 ( -1.447 -2.541 0.072) 2.925 1.957 ( 0.229 0.121 -1.294) 1.319 1.991 ( 1.010 -2.373 -2.949) 3.918 2.168 ( 0.870 1.735 1.898) 2.715 2.202 ( 1.373 -1.688 2.580) 3.375 2.258 ( -1.151 2.805 1.444) 3.358 2.307 ( 0.598 -2.180 -0.373) 2.292 2.738 ( 0.117 0.007 1.268) 1.273 2.755 ( 0.796 -1.564 1.916) 2.598 2.887 ( -2.952 1.248 -1.101) 3.389 2.903 ( -2.461 -0.299 -0.385) 2.509 3.362 ( -0.555 0.187 0.904) 1.077 3.383 ( -0.656 -1.878 1.023) 2.236 3.471 ( 0.878 2.110 -1.072) 2.524 3.511 ( 1.322 -1.904 -1.139) 2.582 3.690 ( -0.994 1.750 -1.133) 2.310 3.727 ( -1.427 -1.808 -1.418) 2.705 3.801 ( 1.941 1.225 1.274) 2.625 3.815 ( 1.237 -0.247 0.800) 1.494 4.282 ( -0.768 0.523 1.322) 1.616 4.299 ( -1.412 -0.979 1.507) 2.285 4.371 ( -0.303 1.243 0.439) 1.353 4.399 ( 0.259 -1.152 0.714) 1.379 4.450 ( -0.720 1.075 -0.248) 1.317 4.481 ( -0.457 -1.607 -2.185) 2.751 4.534 ( -2.063 0.617 -1.199) 2.465 4.560 ( -1.258 -1.811 -1.941) 2.938 5.322 ( -0.103 -0.830 0.508) 0.979 5.346 ( 0.016 -3.194 -0.035) 3.195 5.494 ( 2.137 0.692 -0.468) 2.294 5.529 ( 3.308 -2.796 0.585) 4.371 5.808 ( -1.725 2.346 1.869) 3.460 5.827 ( -1.561 0.545 1.676) 2.355 6.109 ( 4.210 0.765 -5.030) 6.604 6.118 ( 4.278 -0.094 -5.004) 6.584 6.635 ( -4.041 2.288 5.119) 6.912 6.656 ( -4.405 0.395 5.285) 6.891 6.884 ( 0.599 2.327 -1.064) 2.628 6.928 ( -0.288 -1.994 -0.627) 2.110 6.962 ( 0.326 0.648 -0.540) 0.904 6.977 ( -0.093 -0.892 -0.061) 0.899 7.008 ( 0.426 1.260 -1.122) 1.740 7.033 ( 0.211 -1.186 -1.613) 2.013 11.638 ( -0.723 1.579 0.329) 1.767 11.669 ( -0.413 -1.335 0.159) 1.407 11.709 ( -1.179 2.727 0.862) 3.093 11.766 ( -0.830 -2.799 0.827) 3.034 11.835 ( -0.710 1.133 0.406) 1.398 11.855 ( -0.947 -0.578 1.003) 1.496 12.001 ( -1.452 1.635 0.282) 2.205 12.052 ( -1.123 -3.439 0.412) 3.641 12.155 ( 0.044 2.830 -3.154) 4.238 12.197 ( 0.625 -1.369 -2.945) 3.307 12.392 ( 4.296 3.780 0.322) 5.731 12.462 ( 5.392 -3.201 0.493) 6.290 12.726 ( -0.173 0.303 0.663) 0.749 12.743 ( -0.000 -1.234 0.930) 1.545 12.828 ( -0.824 0.420 0.041) 0.926 12.839 ( -0.876 -0.636 0.333) 1.133 ======================= Grid point 64 (35/63) ======================= q-point: ( 0.38 0.40 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 1.416 -0.086 -1.842) 2.325 0.544 ( 0.134 -2.687 -0.872) 2.828 0.607 ( 1.577 2.631 -0.085) 3.069 0.653 ( 2.677 -0.961 -1.041) 3.029 0.693 ( -0.408 2.569 -3.254) 4.166 0.722 ( 1.393 0.229 -1.152) 1.822 0.744 ( 2.163 -0.732 0.814) 2.424 0.784 ( 0.960 -3.770 -2.314) 4.526 0.871 ( -2.086 0.941 1.112) 2.544 0.888 ( -1.130 -0.036 1.256) 1.690 0.908 ( -0.731 1.036 0.963) 1.592 0.918 ( 0.166 1.333 0.757) 1.542 0.942 ( -0.283 -0.359 1.291) 1.369 0.981 ( -1.269 -2.498 2.484) 3.744 1.024 ( 1.533 -0.511 0.954) 1.877 1.034 ( 0.713 -1.076 0.416) 1.356 1.046 ( 1.039 2.200 -0.052) 2.433 1.060 ( 2.595 0.302 -0.615) 2.683 1.126 ( 0.685 2.090 -0.012) 2.199 1.153 ( 1.228 -0.594 0.864) 1.615 1.276 ( 2.335 3.452 -1.501) 4.430 1.329 ( 2.084 -1.383 -0.619) 2.577 1.369 ( 1.925 1.963 -0.436) 2.784 1.394 ( -0.888 2.351 -1.987) 3.204 1.433 ( 2.357 1.632 -0.877) 2.998 1.493 ( -0.492 -1.087 -0.350) 1.244 1.507 ( 0.724 0.232 -0.016) 0.760 1.527 ( -0.796 1.198 0.569) 1.547 1.544 ( 1.325 2.135 -1.886) 3.142 1.593 ( 1.235 0.218 -1.428) 1.900 1.642 ( 0.407 0.929 -1.684) 1.966 1.682 ( 1.590 -3.026 -4.061) 5.308 1.716 ( 0.831 -0.195 -0.367) 0.929 1.733 ( 0.666 -1.216 -0.284) 1.415 1.792 ( -0.076 -0.054 2.152) 2.154 1.814 ( -1.180 -1.482 1.236) 2.262 1.845 ( 1.833 1.182 0.275) 2.198 1.874 ( 1.352 -1.175 0.538) 1.871 1.954 ( 0.099 -1.168 -0.792) 1.415 1.987 ( 2.478 -4.124 -2.025) 5.220 2.183 ( -0.038 3.272 0.008) 3.273 2.233 ( -0.042 -0.713 0.856) 1.115 2.250 ( -2.157 2.219 1.370) 3.384 2.298 ( -0.549 -1.925 -0.543) 2.074 2.744 ( 0.537 0.388 -0.858) 1.084 2.766 ( 0.467 -1.783 -1.060) 2.126 2.841 ( -2.180 1.380 0.160) 2.585 2.864 ( -2.388 -0.813 0.238) 2.534 3.366 ( -0.463 0.368 0.759) 0.962 3.387 ( -0.540 -1.789 1.005) 2.122 3.465 ( 0.528 2.360 -1.558) 2.877 3.511 ( 0.833 -2.277 -1.575) 2.891 3.672 ( 0.379 1.026 -0.729) 1.314 3.696 ( -0.270 -1.230 -1.081) 1.660 3.827 ( 0.392 1.101 0.324) 1.212 3.841 ( 0.508 -0.200 0.607) 0.816 4.298 ( -0.811 0.339 3.073) 3.196 4.306 ( -1.509 -0.458 3.318) 3.673 4.368 ( -0.535 1.593 0.403) 1.728 4.403 ( 0.286 -0.749 -0.789) 1.124 4.435 ( -0.607 0.551 -0.196) 0.843 4.465 ( 0.092 -2.518 -0.680) 2.610 4.503 ( -1.472 0.845 1.024) 1.982 4.529 ( -0.369 -1.507 0.010) 1.552 5.330 ( 0.016 -1.074 0.802) 1.341 5.348 ( 0.036 -2.914 0.322) 2.932 5.522 ( 1.458 1.856 0.152) 2.365 5.578 ( 1.908 -3.788 0.214) 4.247 5.806 ( -1.541 2.367 2.131) 3.538 5.825 ( -1.465 0.633 1.866) 2.455 6.111 ( 4.006 0.785 -5.326) 6.711 6.122 ( 4.166 -0.289 -5.298) 6.746 6.636 ( -3.959 2.144 5.333) 6.979 6.653 ( -4.314 0.558 5.548) 7.049 6.885 ( 0.761 1.736 -0.557) 1.976 6.916 ( -0.457 -1.292 -0.065) 1.372 6.961 ( 0.321 0.376 -0.700) 0.857 6.975 ( 0.010 -0.830 -0.183) 0.850 6.997 ( 0.646 0.954 -1.818) 2.152 7.016 ( 0.672 -0.866 -2.145) 2.409 11.633 ( -0.252 2.017 0.476) 2.088 11.669 ( -0.059 -1.209 0.574) 1.339 11.709 ( -1.418 2.393 2.349) 3.641 11.765 ( -1.412 -2.845 2.031) 3.770 11.828 ( -0.121 0.036 -0.102) 0.162 11.842 ( -1.048 -1.088 0.008) 1.510 11.992 ( -0.415 2.147 -0.234) 2.199 12.046 ( -0.097 -3.216 -0.623) 3.277 12.125 ( 0.965 3.494 -2.533) 4.422 12.178 ( 1.313 -1.820 -2.371) 3.265 12.450 ( 2.272 4.279 0.404) 4.862 12.533 ( 2.751 -4.001 0.048) 4.856 12.731 ( -0.019 0.762 0.272) 0.810 12.745 ( -0.705 -0.577 0.290) 0.956 12.818 ( -0.357 0.136 -0.093) 0.393 12.827 ( -0.763 -0.788 0.082) 1.100 ======================= Grid point 65 (36/63) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 1.940 -0.956 -1.114) 2.433 0.536 ( 0.000 -2.344 -0.453) 2.387 0.624 ( -0.030 2.036 -4.911) 5.317 0.634 ( 1.050 1.588 -0.890) 2.102 0.689 ( 2.749 1.156 -1.582) 3.376 0.714 ( 0.228 -1.474 -1.060) 1.830 0.768 ( 0.864 0.206 -0.793) 1.190 0.782 ( 0.782 -0.729 -0.131) 1.077 0.839 ( -1.609 0.482 0.408) 1.729 0.863 ( -2.654 -1.574 0.770) 3.180 0.911 ( -0.955 2.550 0.928) 2.877 0.951 ( -0.339 -1.140 1.018) 1.566 0.954 ( 0.129 0.380 2.538) 2.569 0.986 ( -1.774 -2.327 2.410) 3.790 1.036 ( -0.530 0.730 -0.218) 0.929 1.042 ( 0.112 1.187 0.043) 1.193 1.055 ( -0.191 -0.154 1.006) 1.035 1.078 ( 0.529 -0.171 -1.435) 1.539 1.136 ( -0.094 2.450 1.424) 2.836 1.170 ( -0.442 -0.354 0.607) 0.830 1.295 ( 2.230 3.566 -1.685) 4.531 1.319 ( -1.467 1.474 -0.835) 2.241 1.354 ( -1.024 -0.261 -2.569) 2.778 1.379 ( 1.240 -2.233 -2.217) 3.382 1.445 ( 0.721 2.030 -1.651) 2.713 1.479 ( -0.149 2.937 -1.651) 3.372 1.497 ( -1.584 2.485 -1.266) 3.207 1.511 ( 0.564 -2.724 -0.401) 2.811 1.549 ( 1.060 -0.540 -1.693) 2.069 1.590 ( 0.787 0.478 -1.922) 2.131 1.619 ( -0.279 0.754 -4.112) 4.190 1.639 ( 1.284 -1.761 -2.683) 3.456 1.729 ( 0.345 -0.406 -1.205) 1.317 1.737 ( 0.429 -0.589 -0.827) 1.102 1.807 ( -0.728 0.315 2.228) 2.365 1.822 ( -0.475 -1.659 2.304) 2.879 1.885 ( 1.398 -0.535 0.333) 1.534 1.902 ( -0.031 -1.125 2.462) 2.707 1.938 ( -0.226 0.618 -0.953) 1.158 2.004 ( 2.166 -4.781 -1.504) 5.460 2.182 ( 0.000 2.384 -0.108) 2.386 2.209 ( -2.827 -0.141 -0.438) 2.864 2.237 ( -0.833 3.222 0.302) 3.342 2.291 ( 0.571 -2.130 -0.338) 2.231 2.744 ( 0.305 0.499 -0.585) 0.827 2.765 ( 0.065 -1.417 -0.869) 1.663 2.812 ( -0.345 0.709 -0.712) 1.063 2.831 ( -0.301 -0.957 -0.940) 1.375 3.361 ( -0.785 0.492 0.259) 0.962 3.386 ( -0.953 -1.929 0.651) 2.248 3.458 ( 1.243 2.501 -1.535) 3.187 3.505 ( 1.109 -2.086 -1.851) 3.001 3.676 ( 0.241 0.517 0.120) 0.583 3.696 ( 1.109 -1.234 -0.159) 1.667 3.829 ( -0.214 1.305 0.026) 1.323 3.844 ( -0.540 0.003 -0.057) 0.543 4.325 ( -1.928 0.314 4.480) 4.888 4.328 ( -1.089 0.016 3.612) 3.773 4.368 ( -0.354 1.000 0.525) 1.184 4.400 ( 0.939 -0.461 -1.081) 1.504 4.424 ( -0.479 -0.481 -0.306) 0.745 4.446 ( -0.333 -2.038 -0.804) 2.216 4.521 ( 0.902 1.568 2.369) 2.980 4.554 ( 1.303 -1.815 1.896) 2.930 5.338 ( -0.539 -1.121 0.976) 1.581 5.354 ( -0.060 -2.726 0.583) 2.788 5.542 ( 0.157 1.528 0.811) 1.737 5.590 ( -0.375 -3.306 -0.217) 3.334 5.810 ( -1.448 2.172 2.323) 3.494 5.826 ( -1.334 0.691 2.011) 2.510 6.106 ( 3.964 0.889 -5.628) 6.941 6.120 ( 3.972 -0.454 -5.522) 6.818 6.640 ( -3.957 2.080 5.513) 7.098 6.654 ( -4.232 0.758 5.695) 7.136 6.892 ( 0.599 1.630 -0.286) 1.759 6.917 ( 0.249 -0.800 0.457) 0.955 6.952 ( 0.155 0.421 -1.351) 1.423 6.966 ( -0.600 -0.990 -0.484) 1.254 6.993 ( 1.902 0.536 -1.999) 2.811 7.007 ( 1.695 -0.817 -2.272) 2.950 11.644 ( -0.052 2.186 1.458) 2.628 11.680 ( -0.095 -0.557 1.241) 1.364 11.717 ( -1.623 1.492 2.897) 3.640 11.770 ( -1.274 -2.742 2.312) 3.806 11.831 ( -0.216 -0.412 0.191) 0.503 11.835 ( 0.790 -0.896 0.138) 1.203 11.971 ( -0.660 2.053 -1.638) 2.708 12.020 ( -0.503 -2.774 -2.505) 3.771 12.132 ( 2.420 3.124 -1.293) 4.158 12.182 ( 2.257 -1.783 -1.839) 3.414 12.474 ( -0.066 3.681 0.728) 3.753 12.547 ( -0.356 -3.690 -0.752) 3.783 12.728 ( -0.646 0.518 -0.205) 0.853 12.734 ( -0.357 -0.041 -0.157) 0.392 12.814 ( -0.046 0.050 -0.064) 0.094 12.821 ( -0.098 -0.570 0.003) 0.578 ======================= Grid point 66 (37/63) ======================= q-point: (-0.38 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -0.271 3.776 -3.845) 5.396 0.532 ( -0.471 -0.238 0.194) 0.563 0.577 ( 2.189 -1.959 -2.158) 3.645 0.619 ( 1.796 -3.332 -5.128) 6.374 0.698 ( -0.804 2.920 1.187) 3.253 0.736 ( 1.445 0.180 -0.510) 1.542 0.766 ( 0.615 0.874 -0.602) 1.227 0.785 ( 1.060 -0.446 -1.817) 2.151 0.837 ( -2.138 -0.926 2.352) 3.311 0.841 ( -0.288 -0.501 1.025) 1.177 0.896 ( -1.959 2.068 1.197) 3.090 0.930 ( -2.416 -1.280 -0.328) 2.754 0.974 ( -1.419 1.239 1.624) 2.487 0.991 ( -0.488 -0.526 1.532) 1.692 1.026 ( 0.251 2.675 -1.041) 2.881 1.044 ( -1.433 0.741 2.347) 2.848 1.056 ( -0.179 -0.193 -1.227) 1.255 1.073 ( -0.934 -1.604 3.417) 3.888 1.143 ( -1.845 0.552 0.589) 2.014 1.161 ( -1.203 -0.487 1.272) 1.817 1.281 ( -0.337 1.786 -2.520) 3.107 1.290 ( -2.098 -0.188 -2.347) 3.154 1.306 ( -1.191 2.530 0.142) 2.800 1.353 ( -1.406 -1.347 -1.891) 2.714 1.405 ( -1.345 1.930 -3.258) 4.019 1.442 ( -2.198 2.765 -2.244) 4.185 1.454 ( -0.797 4.180 -1.963) 4.686 1.513 ( -0.241 -0.138 -0.924) 0.965 1.536 ( 0.102 -2.848 -0.508) 2.895 1.561 ( -0.482 -2.503 -2.513) 3.579 1.579 ( 1.446 1.324 -2.963) 3.553 1.633 ( 1.628 -3.045 -2.894) 4.505 1.703 ( -0.744 0.513 -1.141) 1.455 1.724 ( 0.051 -1.389 -1.387) 1.964 1.819 ( -1.435 -0.253 1.140) 1.850 1.839 ( 0.039 -0.940 1.904) 2.124 1.890 ( -0.906 -1.099 -0.117) 1.430 1.925 ( 0.098 -2.115 1.970) 2.892 1.957 ( 1.268 2.314 1.296) 2.940 2.026 ( 2.381 -3.559 -0.483) 4.309 2.144 ( -3.660 1.944 -1.435) 4.386 2.169 ( -1.855 -0.137 -0.113) 1.864 2.237 ( 0.099 3.607 0.828) 3.703 2.300 ( 0.816 -2.958 -0.528) 3.114 2.703 ( -2.850 0.342 -1.581) 3.277 2.725 ( -2.638 -1.829 -1.106) 3.395 2.844 ( 4.313 0.960 0.017) 4.419 2.864 ( 3.888 -0.958 -0.002) 4.005 3.354 ( -0.509 0.341 0.443) 0.756 3.379 ( -0.707 -1.952 0.674) 2.183 3.461 ( 1.233 2.334 -1.445) 3.010 3.501 ( 1.240 -1.482 -1.843) 2.670 3.682 ( 0.223 1.058 0.183) 1.097 3.713 ( 1.066 -1.902 -0.374) 2.212 3.818 ( -1.516 1.347 -0.021) 2.028 3.829 ( -0.737 0.148 0.013) 0.752 4.344 ( -2.224 1.149 3.841) 4.585 4.352 ( 0.015 0.690 1.345) 1.512 4.370 ( -1.223 -1.270 2.389) 2.969 4.388 ( -1.134 -2.209 -0.612) 2.557 4.421 ( 1.194 2.022 -0.315) 2.369 4.462 ( 2.493 -1.964 -0.353) 3.194 4.574 ( 2.072 1.268 2.006) 3.150 4.603 ( 1.919 -1.657 1.491) 2.942 5.337 ( -0.921 -0.822 0.952) 1.558 5.360 ( -0.203 -2.992 0.698) 3.079 5.542 ( -1.563 0.109 0.858) 1.786 5.563 ( -2.334 -1.860 -0.337) 3.003 5.817 ( -1.398 2.016 2.372) 3.412 5.832 ( -1.198 0.607 2.099) 2.492 6.101 ( 4.086 0.915 -5.636) 7.021 6.113 ( 3.805 -0.360 -5.516) 6.711 6.644 ( -4.007 2.160 5.559) 7.185 6.659 ( -4.036 0.831 5.838) 7.146 6.898 ( 0.658 2.242 -0.317) 2.358 6.930 ( 0.656 -0.822 -0.264) 1.084 6.938 ( 0.753 0.797 -1.312) 1.710 6.952 ( -0.181 -0.992 -0.486) 1.120 7.003 ( 1.926 -0.251 -1.618) 2.528 7.012 ( 2.273 -0.954 -2.244) 3.333 11.654 ( -1.240 1.978 1.478) 2.763 11.692 ( -0.610 -1.059 1.239) 1.740 11.730 ( -0.927 2.212 2.835) 3.713 11.788 ( -0.117 -2.492 2.341) 3.421 11.832 ( -0.332 0.780 0.038) 0.849 11.846 ( -0.314 -0.773 0.104) 0.841 11.950 ( 0.913 0.893 -1.196) 1.750 11.988 ( 0.939 -2.906 -2.046) 3.676 12.155 ( 2.649 2.505 -1.894) 4.109 12.194 ( 2.475 -1.227 -2.771) 3.913 12.470 ( -2.203 1.748 1.772) 3.324 12.509 ( -2.784 -2.057 -1.015) 3.608 12.713 ( -0.732 0.611 -0.174) 0.969 12.728 ( -0.307 -0.749 -0.054) 0.811 12.816 ( 0.339 0.278 -0.061) 0.442 12.821 ( 0.228 -0.245 -0.087) 0.346 ======================= Grid point 67 (38/63) ======================= q-point: (-0.25 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 0.862 7.868 -5.846) 9.840 0.518 ( -2.313 2.904 0.903) 3.821 0.585 ( -0.584 -4.473 -1.592) 4.784 0.590 ( 1.163 -4.896 -2.327) 5.544 0.690 ( -0.578 2.623 -1.516) 3.084 0.718 ( 1.873 0.671 -1.614) 2.562 0.786 ( 1.014 -0.234 -0.358) 1.100 0.790 ( 0.483 -0.309 -1.152) 1.287 0.827 ( -2.041 0.799 0.299) 2.212 0.832 ( -2.534 -0.740 2.261) 3.476 0.890 ( -2.254 1.488 2.254) 3.518 0.911 ( -2.019 -0.638 2.310) 3.133 0.971 ( 0.022 1.577 1.412) 2.117 0.993 ( -2.349 0.669 0.730) 2.549 0.998 ( -0.363 2.194 -0.408) 2.261 1.047 ( -0.014 -0.028 -0.440) 0.442 1.055 ( -1.314 1.197 2.103) 2.753 1.099 ( -1.302 -0.830 0.963) 1.820 1.116 ( -2.071 -1.075 2.759) 3.613 1.144 ( -2.810 -2.482 0.845) 3.843 1.216 ( -3.167 3.227 -2.913) 5.379 1.231 ( -1.857 3.039 -0.765) 3.643 1.276 ( -3.063 0.334 0.214) 3.088 1.306 ( -1.088 -2.598 -1.676) 3.277 1.347 ( -0.944 3.552 -2.332) 4.353 1.379 ( -1.752 2.062 -1.140) 2.936 1.432 ( 0.247 4.142 -0.988) 4.265 1.481 ( -1.060 1.344 -0.897) 1.932 1.527 ( 0.085 -3.015 -1.421) 3.334 1.561 ( 1.436 -3.580 0.864) 3.953 1.585 ( 2.752 0.659 -2.068) 3.505 1.629 ( 2.048 -3.218 -2.483) 4.552 1.686 ( -0.344 0.602 -0.143) 0.708 1.711 ( -0.313 -2.340 -0.595) 2.435 1.807 ( -1.706 -0.994 0.672) 2.085 1.833 ( -1.555 -3.524 -0.669) 3.910 1.887 ( 0.243 2.969 0.691) 3.058 1.942 ( -1.061 -0.693 1.347) 1.849 1.983 ( 1.950 0.286 -1.351) 2.389 2.027 ( -0.658 -1.930 -3.523) 4.070 2.099 ( -0.927 1.350 1.727) 2.380 2.127 ( -2.685 -1.294 0.354) 3.001 2.254 ( -0.852 2.288 2.436) 3.449 2.294 ( -1.657 -2.032 0.284) 2.638 2.650 ( -1.746 0.557 -0.614) 1.933 2.679 ( -1.529 -2.544 -0.322) 2.985 2.912 ( 3.214 0.927 0.023) 3.345 2.926 ( 3.629 -0.519 0.189) 3.670 3.357 ( -0.182 0.352 0.809) 0.901 3.383 ( -0.340 -2.209 1.306) 2.589 3.465 ( 1.581 2.414 -1.279) 3.156 3.500 ( 1.391 -1.121 -1.529) 2.352 3.677 ( -0.797 1.784 -1.143) 2.263 3.709 ( -0.138 -1.386 -1.335) 1.930 3.796 ( -1.138 1.644 0.721) 2.125 3.825 ( -0.255 -1.329 0.666) 1.508 4.341 ( -1.239 0.878 0.690) 1.668 4.357 ( -1.340 -0.261 -0.204) 1.381 4.372 ( -0.028 -0.006 1.392) 1.393 4.389 ( -1.617 -1.706 2.831) 3.680 4.441 ( 1.759 2.564 -0.372) 3.131 4.499 ( 2.426 -2.980 -0.375) 3.861 4.627 ( 2.514 0.623 0.333) 2.612 4.644 ( 2.050 -1.126 -0.066) 2.339 5.333 ( -0.962 -0.606 0.781) 1.379 5.362 ( -0.488 -3.365 0.363) 3.420 5.507 ( -2.955 -0.127 -0.033) 2.958 5.524 ( -2.616 -1.837 0.391) 3.220 5.824 ( -1.395 1.995 2.323) 3.365 5.838 ( -1.184 0.563 2.015) 2.404 6.098 ( 4.115 0.823 -5.424) 6.858 6.107 ( 3.756 -0.039 -5.345) 6.533 6.648 ( -4.030 2.423 5.387) 7.151 6.670 ( -3.783 0.455 5.877) 7.004 6.902 ( 0.897 2.390 -1.228) 2.833 6.923 ( 0.923 -0.032 -1.690) 1.926 6.948 ( 0.828 0.556 -0.012) 0.997 6.956 ( 0.570 -0.272 0.503) 0.807 7.013 ( 1.834 -0.964 -1.661) 2.656 7.022 ( 2.203 -1.303 -1.976) 3.233 11.646 ( -1.384 2.038 0.965) 2.646 11.688 ( -1.365 -2.012 1.059) 2.652 11.754 ( -0.219 2.769 1.460) 3.138 11.801 ( -0.978 -1.491 -1.262) 2.184 11.812 ( -1.142 1.214 0.651) 1.790 11.838 ( -1.473 -1.476 2.553) 3.296 11.976 ( 3.556 1.397 -0.451) 3.847 12.021 ( 3.988 -2.966 0.302) 4.979 12.165 ( 2.576 1.593 -3.169) 4.384 12.188 ( 2.048 -0.567 -4.077) 4.598 12.439 ( -4.328 -0.036 0.276) 4.337 12.450 ( -4.000 -1.145 1.585) 4.452 12.702 ( -0.733 0.984 0.311) 1.266 12.724 ( -0.642 -1.234 0.611) 1.519 12.821 ( 0.555 0.339 -0.185) 0.676 12.826 ( 0.376 -0.144 0.113) 0.419 ======================= Grid point 68 (39/63) ======================= q-point: (-0.12 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 1.543 8.953 -4.743) 10.249 0.482 ( -3.349 6.839 0.906) 7.669 0.541 ( -0.771 -4.988 -1.944) 5.409 0.591 ( 1.648 -4.256 -1.594) 4.834 0.672 ( 0.242 3.303 -1.630) 3.691 0.735 ( -2.545 0.444 -2.404) 3.529 0.743 ( 1.441 -1.646 0.387) 2.222 0.764 ( -1.460 -0.820 -2.128) 2.708 0.819 ( -0.525 -0.017 0.522) 0.741 0.829 ( -0.726 -1.303 0.523) 1.580 0.864 ( -3.224 0.528 0.479) 3.302 0.877 ( -2.358 -0.659 0.270) 2.463 0.955 ( -2.043 5.915 1.796) 6.511 1.007 ( -0.160 0.060 -0.079) 0.188 1.028 ( 0.038 1.361 -0.068) 1.363 1.043 ( 1.394 2.960 3.040) 4.466 1.051 ( -0.591 -1.314 -1.166) 1.854 1.077 ( -2.407 1.016 2.955) 3.944 1.097 ( -2.651 0.309 -1.191) 2.923 1.113 ( -1.583 -1.113 0.226) 1.948 1.157 ( -0.804 1.679 0.308) 1.887 1.234 ( 0.261 1.835 2.188) 2.868 1.254 ( -2.084 -3.564 3.286) 5.276 1.261 ( -1.056 -1.863 -1.016) 2.371 1.329 ( -0.192 3.539 0.714) 3.615 1.365 ( -0.204 0.177 1.227) 1.256 1.433 ( 0.309 5.573 -0.227) 5.587 1.469 ( -0.236 1.520 0.431) 1.597 1.529 ( 1.830 -2.024 -0.642) 2.803 1.587 ( 0.223 -3.332 -0.342) 3.357 1.608 ( 2.786 0.244 -1.338) 3.100 1.623 ( 0.525 -1.300 -0.770) 1.600 1.687 ( -0.808 -1.604 -0.628) 1.902 1.704 ( 0.656 -2.062 0.849) 2.324 1.779 ( -1.326 -0.375 -0.656) 1.526 1.797 ( -1.028 -2.288 -1.027) 2.711 1.902 ( 0.240 1.537 0.813) 1.755 1.917 ( -2.122 0.237 -0.531) 2.200 1.980 ( 0.161 -0.360 -2.136) 2.172 1.994 ( 1.756 -1.718 -1.668) 2.970 2.093 ( -1.646 1.378 1.372) 2.547 2.126 ( -0.159 -1.784 1.322) 2.226 2.253 ( -4.293 0.898 2.788) 5.197 2.265 ( -1.930 0.049 1.738) 2.598 2.635 ( -0.783 1.161 1.391) 1.973 2.673 ( -0.268 -2.710 1.317) 3.025 2.943 ( 1.431 1.616 -0.543) 2.226 2.972 ( 1.930 -1.143 -0.329) 2.267 3.366 ( -0.218 0.486 1.032) 1.161 3.394 ( -0.617 -2.326 1.390) 2.779 3.481 ( 2.042 1.720 -1.484) 3.055 3.506 ( 1.457 -0.806 -1.536) 2.266 3.639 ( -1.069 2.926 -0.809) 3.219 3.690 ( -0.185 -2.188 -0.538) 2.261 3.800 ( -0.365 1.761 0.987) 2.052 3.829 ( -0.317 -1.059 0.348) 1.159 4.330 ( -0.539 0.558 0.063) 0.779 4.335 ( -1.363 0.192 0.117) 1.381 4.380 ( -0.593 -0.428 0.476) 0.873 4.387 ( -1.558 -1.274 0.982) 2.239 4.463 ( 1.575 2.772 -0.617) 3.247 4.526 ( 1.549 -3.394 -0.592) 3.777 4.656 ( 1.899 -0.066 -1.660) 2.523 4.661 ( 1.454 -0.593 -1.932) 2.490 5.326 ( -0.944 -0.518 0.528) 1.199 5.353 ( -0.482 -3.113 -0.122) 3.152 5.467 ( -1.877 -0.183 -0.129) 1.890 5.488 ( -2.249 -2.347 0.331) 3.267 5.827 ( -1.601 2.023 2.075) 3.311 5.842 ( -1.284 0.592 1.748) 2.248 6.098 ( 4.027 0.731 -5.218) 6.632 6.102 ( 3.890 0.228 -5.201) 6.498 6.648 ( -4.045 2.706 5.033) 7.001 6.679 ( -3.894 -0.243 5.360) 6.630 6.898 ( 1.072 2.410 -1.806) 3.197 6.925 ( 1.318 -0.520 -0.951) 1.707 6.963 ( 0.476 1.175 0.531) 1.374 6.971 ( 0.635 0.283 0.173) 0.716 7.017 ( 1.630 -0.976 -2.134) 2.858 7.035 ( 1.735 -1.861 -1.097) 2.771 11.641 ( -0.593 1.982 0.897) 2.255 11.682 ( -0.960 -1.974 1.042) 2.430 11.744 ( -0.924 0.660 -0.398) 1.203 11.757 ( -1.304 -0.758 -1.448) 2.091 11.824 ( -0.669 1.847 2.636) 3.287 11.853 ( -1.623 -1.027 2.903) 3.481 12.039 ( 4.677 2.952 -0.822) 5.592 12.098 ( 4.223 -2.984 0.274) 5.178 12.163 ( 2.598 0.866 -3.726) 4.624 12.175 ( 3.133 -0.518 -3.148) 4.471 12.365 ( -4.806 0.753 -0.152) 4.867 12.388 ( -5.859 -1.867 0.773) 6.197 12.701 ( -0.669 0.616 1.379) 1.651 12.721 ( -0.873 -1.322 0.888) 1.816 12.830 ( 0.522 0.261 0.203) 0.618 12.835 ( 0.239 -0.138 0.339) 0.438 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 5.680 0.000 6.196) 8.406 0.383 ( -0.625 0.000 4.587) 4.629 0.527 ( 3.122 0.000 -1.360) 3.405 0.546 ( -2.494 0.000 -3.147) 4.015 0.658 ( -1.359 0.000 1.178) 1.798 0.688 ( -1.804 0.000 -2.435) 3.031 0.766 ( -0.893 0.000 5.992) 6.058 0.793 ( 1.212 0.000 0.422) 1.283 0.803 ( -0.966 0.000 -0.722) 1.206 0.805 ( 0.307 0.000 -1.060) 1.104 0.859 ( -0.095 0.000 3.283) 3.285 0.903 ( -0.368 0.000 0.532) 0.647 0.905 ( 1.434 0.000 -1.493) 2.070 0.920 ( -0.430 0.000 -1.487) 1.548 0.971 ( 1.763 0.000 1.628) 2.400 1.007 ( -0.421 0.000 -0.623) 0.752 1.013 ( -2.329 0.000 1.418) 2.727 1.017 ( 1.149 0.000 0.267) 1.180 1.033 ( -2.235 0.000 -1.027) 2.460 1.072 ( -0.078 0.000 -2.311) 2.312 1.145 ( -0.214 0.000 1.170) 1.190 1.161 ( -0.566 0.000 -2.487) 2.551 1.229 ( -0.810 0.000 0.484) 0.944 1.259 ( 0.942 0.000 -1.035) 1.399 1.372 ( -0.802 0.000 5.507) 5.566 1.465 ( 2.760 0.000 -1.475) 3.130 1.485 ( -0.193 0.000 -0.036) 0.196 1.519 ( 1.904 0.000 -0.834) 2.078 1.584 ( -3.214 0.000 4.500) 5.529 1.591 ( 0.408 0.000 1.434) 1.491 1.635 ( 3.193 0.000 -1.214) 3.416 1.695 ( -3.562 0.000 2.252) 4.214 1.711 ( 0.016 0.000 -1.723) 1.724 1.755 ( -1.932 0.000 1.734) 2.596 1.763 ( 2.889 0.000 -5.282) 6.020 1.813 ( 1.903 0.000 -2.744) 3.339 1.885 ( 0.238 0.000 3.088) 3.097 1.935 ( 0.982 0.000 0.345) 1.041 1.962 ( -1.299 0.000 0.048) 1.300 1.994 ( -1.472 0.000 -1.877) 2.386 2.157 ( 0.257 0.000 1.660) 1.680 2.181 ( 1.486 0.000 -0.329) 1.522 2.233 ( -0.455 0.000 2.177) 2.224 2.281 ( 1.168 0.000 -2.101) 2.404 2.746 ( 0.382 0.000 5.288) 5.302 2.836 ( -0.371 0.000 -3.385) 3.405 2.857 ( -0.241 0.000 3.559) 3.567 2.924 ( 0.134 0.000 -2.902) 2.905 3.384 ( 0.274 0.000 1.093) 1.127 3.409 ( -0.271 0.000 -1.223) 1.252 3.480 ( -2.332 0.000 1.180) 2.613 3.509 ( 2.372 0.000 -1.449) 2.780 3.637 ( 2.492 0.000 3.978) 4.694 3.703 ( -2.133 0.000 -2.224) 3.081 3.789 ( 0.704 0.000 1.994) 2.114 3.826 ( -0.351 0.000 -1.631) 1.669 4.307 ( -1.049 0.000 0.537) 1.178 4.327 ( 0.771 0.000 -0.781) 1.098 4.396 ( 2.062 0.000 0.316) 2.086 4.410 ( -3.383 0.000 -0.780) 3.472 4.448 ( -0.961 0.000 3.650) 3.775 4.543 ( 0.844 0.000 -5.286) 5.353 4.608 ( -0.624 0.000 -0.250) 0.672 4.622 ( 1.132 0.000 -1.946) 2.251 5.425 ( -1.471 0.000 2.370) 2.789 5.477 ( 1.709 0.000 -2.590) 3.103 5.492 ( 2.473 0.000 2.105) 3.248 5.535 ( -2.976 0.000 -1.981) 3.575 5.817 ( -4.631 0.000 4.547) 6.490 5.832 ( -4.508 0.000 4.765) 6.559 5.930 ( 5.697 0.000 -6.447) 8.604 5.948 ( 5.745 0.000 -6.545) 8.709 6.684 ( -4.503 0.000 5.942) 7.455 6.740 ( -5.218 0.000 6.738) 8.522 6.780 ( 2.576 0.000 -3.448) 4.304 6.867 ( 4.127 0.000 -5.586) 6.946 6.962 ( 0.182 0.000 0.963) 0.980 6.992 ( 0.623 0.000 -2.111) 2.201 7.017 ( -0.274 0.000 2.329) 2.345 7.063 ( 0.355 0.000 -2.023) 2.054 11.628 ( 0.298 0.000 1.016) 1.059 11.642 ( -0.808 0.000 -0.313) 0.867 11.767 ( 2.068 0.000 0.366) 2.100 11.774 ( -2.097 0.000 -0.284) 2.116 11.862 ( -2.518 0.000 1.658) 3.015 11.892 ( 4.509 0.000 -0.306) 4.519 11.935 ( -3.825 0.000 3.424) 5.134 12.032 ( 3.627 0.000 -5.015) 6.189 12.228 ( 1.669 0.000 1.157) 2.031 12.249 ( -2.260 0.000 -0.585) 2.335 12.277 ( 7.072 0.000 -0.297) 7.078 12.290 ( -7.587 0.000 -1.156) 7.674 12.774 ( -0.827 0.000 0.789) 1.143 12.789 ( 0.759 0.000 -0.731) 1.054 12.858 ( 0.988 0.000 0.628) 1.171 12.863 ( -1.906 0.000 0.195) 1.915 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 5.080 0.000 -3.815) 6.353 0.451 ( 3.940 0.000 -1.966) 4.403 0.513 ( 3.252 0.000 0.857) 3.363 0.568 ( 1.361 0.000 -1.018) 1.700 0.693 ( 1.967 0.000 0.783) 2.117 0.701 ( 1.007 0.000 0.581) 1.162 0.773 ( -1.527 0.000 0.775) 1.712 0.807 ( 1.027 0.000 -1.157) 1.547 0.823 ( 1.517 0.000 -0.017) 1.517 0.849 ( 3.870 0.000 0.656) 3.925 0.889 ( -0.163 0.000 -2.498) 2.503 0.889 ( 3.123 0.000 2.461) 3.976 0.917 ( 0.906 0.000 1.933) 2.135 0.939 ( 2.504 0.000 0.378) 2.533 0.957 ( -0.817 0.000 -4.201) 4.280 0.993 ( -0.668 0.000 1.072) 1.263 1.011 ( 0.054 0.000 0.814) 0.815 1.033 ( 0.177 0.000 -0.746) 0.767 1.065 ( 2.054 0.000 2.430) 3.182 1.085 ( 3.157 0.000 1.412) 3.459 1.156 ( 2.004 0.000 -0.958) 2.221 1.166 ( 1.856 0.000 1.821) 2.600 1.215 ( -2.496 0.000 2.399) 3.462 1.238 ( -0.725 0.000 -2.140) 2.260 1.412 ( -0.984 0.000 2.975) 3.134 1.452 ( 2.030 0.000 -5.027) 5.421 1.488 ( -1.576 0.000 -1.702) 2.320 1.493 ( -0.200 0.000 -0.122) 0.234 1.588 ( -2.201 0.000 1.774) 2.827 1.600 ( 0.201 0.000 -0.329) 0.385 1.654 ( 0.598 0.000 -6.042) 6.071 1.677 ( 0.490 0.000 3.133) 3.171 1.704 ( 0.337 0.000 1.420) 1.460 1.753 ( 0.144 0.000 1.733) 1.739 1.786 ( 2.115 0.000 0.809) 2.264 1.805 ( 0.982 0.000 -2.462) 2.651 1.902 ( 0.098 0.000 -3.210) 3.211 1.925 ( 0.446 0.000 1.963) 2.013 1.979 ( 0.890 0.000 -0.661) 1.108 2.009 ( 2.224 0.000 3.243) 3.933 2.149 ( -2.399 0.000 -0.883) 2.556 2.155 ( -1.532 0.000 -1.559) 2.186 2.273 ( 0.824 0.000 1.760) 1.943 2.284 ( 3.626 0.000 -3.171) 4.816 2.781 ( -0.136 0.000 -4.358) 4.360 2.810 ( 0.010 0.000 3.795) 3.795 2.881 ( -0.687 0.000 -3.202) 3.275 2.889 ( -1.087 0.000 3.295) 3.470 3.388 ( -0.248 0.000 -1.165) 1.191 3.396 ( -0.650 0.000 1.090) 1.269 3.472 ( -0.794 0.000 1.137) 1.387 3.532 ( 2.448 0.000 -1.128) 2.695 3.639 ( -0.975 0.000 -3.876) 3.997 3.722 ( 2.665 0.000 2.942) 3.970 3.786 ( -1.619 0.000 -2.105) 2.656 3.817 ( 0.084 0.000 1.607) 1.609 4.307 ( -0.647 0.000 1.372) 1.516 4.329 ( 0.935 0.000 -0.647) 1.137 4.360 ( -2.235 0.000 0.747) 2.357 4.435 ( 0.485 0.000 -0.633) 0.798 4.470 ( -2.975 0.000 4.821) 5.665 4.497 ( 1.545 0.000 -2.343) 2.806 4.587 ( -2.147 0.000 0.359) 2.176 4.610 ( -0.417 0.000 -0.789) 0.892 5.435 ( -1.049 0.000 2.148) 2.391 5.467 ( 0.667 0.000 -1.967) 2.077 5.487 ( 0.458 0.000 -2.026) 2.077 5.577 ( 4.245 0.000 2.289) 4.822 5.799 ( -4.818 0.000 4.912) 6.881 5.822 ( -4.241 0.000 4.881) 6.466 5.942 ( 5.521 0.000 -6.293) 8.372 5.961 ( 5.833 0.000 -6.439) 8.689 6.685 ( -4.510 0.000 5.829) 7.371 6.740 ( -5.345 0.000 6.854) 8.692 6.779 ( 2.681 0.000 -3.346) 4.287 6.862 ( 3.776 0.000 -5.279) 6.490 6.976 ( 0.403 0.000 -1.911) 1.953 6.976 ( -0.017 0.000 0.955) 0.955 7.034 ( -1.167 0.000 2.084) 2.388 7.037 ( -0.081 0.000 -2.437) 2.438 11.622 ( -1.074 0.000 -0.479) 1.176 11.644 ( -0.004 0.000 1.189) 1.189 11.729 ( -2.428 0.000 -0.368) 2.456 11.800 ( 1.576 0.000 0.229) 1.593 11.849 ( -0.583 0.000 0.547) 0.800 11.921 ( -0.846 0.000 0.983) 1.297 11.935 ( -0.443 0.000 1.431) 1.498 12.028 ( 3.027 0.000 -4.656) 5.553 12.183 ( -3.459 0.000 -1.117) 3.635 12.195 ( -2.589 0.000 -0.663) 2.673 12.280 ( 2.089 0.000 1.566) 2.611 12.415 ( 8.231 0.000 1.202) 8.318 12.769 ( -0.975 0.000 0.582) 1.135 12.789 ( 0.035 0.000 -0.420) 0.421 12.834 ( -1.712 0.000 0.189) 1.722 12.876 ( 0.096 0.000 0.749) 0.755 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 4.648 0.000 -0.646) 4.693 0.491 ( 5.579 0.000 -3.231) 6.447 0.576 ( 0.679 0.000 -0.070) 0.683 0.598 ( 5.680 0.000 -0.453) 5.698 0.689 ( -1.021 0.000 -1.317) 1.667 0.725 ( 1.113 0.000 -0.835) 1.391 0.760 ( -0.426 0.000 0.292) 0.516 0.814 ( 0.314 0.000 -0.342) 0.464 0.831 ( 0.566 0.000 -1.423) 1.531 0.856 ( 2.619 0.000 -3.754) 4.577 0.877 ( -0.501 0.000 1.357) 1.447 0.908 ( 2.395 0.000 -5.440) 5.944 0.930 ( 1.254 0.000 1.791) 2.186 0.975 ( 2.108 0.000 0.613) 2.196 0.989 ( -1.376 0.000 -2.397) 2.764 1.009 ( -0.601 0.000 3.591) 3.641 1.032 ( 2.148 0.000 2.400) 3.220 1.044 ( 0.740 0.000 0.691) 1.012 1.098 ( 1.505 0.000 1.255) 1.959 1.155 ( 1.417 0.000 4.021) 4.263 1.194 ( 4.824 0.000 -2.738) 5.547 1.197 ( -1.265 0.000 1.734) 2.146 1.210 ( 0.330 0.000 -0.858) 0.919 1.271 ( 3.833 0.000 1.366) 4.069 1.420 ( 0.659 0.000 0.470) 0.809 1.421 ( 2.787 0.000 -6.383) 6.965 1.470 ( -2.321 0.000 2.603) 3.487 1.480 ( -0.018 0.000 -1.128) 1.128 1.561 ( 0.271 0.000 -2.493) 2.507 1.601 ( 2.550 0.000 -2.578) 3.626 1.611 ( 0.705 0.000 -2.578) 2.673 1.697 ( -0.631 0.000 1.302) 1.447 1.724 ( 1.004 0.000 -0.034) 1.004 1.763 ( -2.244 0.000 2.113) 3.082 1.806 ( 0.958 0.000 -0.348) 1.019 1.856 ( 2.620 0.000 3.144) 4.093 1.889 ( 1.702 0.000 -1.106) 2.030 1.964 ( 2.400 0.000 0.323) 2.421 1.978 ( 0.056 0.000 0.271) 0.276 2.080 ( -2.430 0.000 -2.927) 3.804 2.084 ( 1.773 0.000 3.371) 3.809 2.101 ( -2.183 0.000 -2.347) 3.205 2.293 ( -0.522 0.000 1.048) 1.171 2.296 ( 2.171 0.000 -3.419) 4.050 2.735 ( 0.827 0.000 -3.740) 3.830 2.832 ( -0.601 0.000 -2.674) 2.741 2.833 ( -1.487 0.000 2.339) 2.772 2.897 ( -2.099 0.000 1.678) 2.688 3.373 ( 0.190 0.000 -1.355) 1.369 3.393 ( -0.782 0.000 0.443) 0.899 3.469 ( -0.958 0.000 0.470) 1.067 3.540 ( 0.305 0.000 -1.993) 2.016 3.609 ( 2.755 0.000 -1.880) 3.335 3.733 ( -1.795 0.000 -1.566) 2.382 3.785 ( 1.591 0.000 1.185) 1.984 3.832 ( 0.044 0.000 0.663) 0.665 4.318 ( 0.418 0.000 1.123) 1.198 4.343 ( 0.705 0.000 0.128) 0.716 4.357 ( -0.893 0.000 2.024) 2.212 4.396 ( -0.400 0.000 -1.814) 1.858 4.473 ( -4.768 0.000 5.624) 7.373 4.539 ( 2.568 0.000 0.479) 2.613 4.556 ( -3.031 0.000 1.810) 3.530 4.590 ( -1.604 0.000 0.088) 1.606 5.442 ( -1.038 0.000 1.606) 1.912 5.468 ( 1.536 0.000 -0.597) 1.648 5.487 ( 1.566 0.000 -0.802) 1.759 5.663 ( 3.388 0.000 0.947) 3.518 5.788 ( -4.529 0.000 5.459) 7.094 5.818 ( -3.999 0.000 5.285) 6.627 5.946 ( 5.001 0.000 -6.906) 8.527 5.974 ( 5.787 0.000 -6.462) 8.674 6.685 ( -4.331 0.000 5.705) 7.162 6.737 ( -5.364 0.000 6.521) 8.444 6.784 ( 3.138 0.000 -3.493) 4.696 6.860 ( 3.663 0.000 -4.798) 6.036 6.960 ( 0.248 0.000 -1.373) 1.395 6.981 ( -0.784 0.000 0.710) 1.058 7.007 ( 0.258 0.000 -2.346) 2.360 7.030 ( -1.746 0.000 1.153) 2.092 11.599 ( -1.068 0.000 -0.022) 1.068 11.656 ( -0.326 0.000 1.218) 1.261 11.715 ( 0.376 0.000 1.325) 1.377 11.819 ( 0.885 0.000 -0.437) 0.988 11.857 ( 1.421 0.000 -0.444) 1.489 11.926 ( 1.313 0.000 -2.108) 2.483 11.933 ( -3.667 0.000 5.215) 6.375 12.001 ( 0.002 0.000 -3.773) 3.773 12.132 ( -0.658 0.000 -2.217) 2.313 12.159 ( -0.562 0.000 -0.969) 1.121 12.338 ( 2.003 0.000 2.490) 3.196 12.546 ( 5.749 0.000 1.458) 5.931 12.752 ( -1.669 0.000 -0.207) 1.681 12.774 ( -1.627 0.000 0.108) 1.630 12.819 ( -0.101 0.000 -0.358) 0.372 12.874 ( -0.904 0.000 -0.043) 0.905 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 2.707 0.000 0.772) 2.815 0.553 ( 6.553 0.000 -2.863) 7.151 0.575 ( -3.240 0.000 1.798) 3.706 0.627 ( 3.134 0.000 -5.832) 6.621 0.654 ( 0.323 0.000 -1.715) 1.745 0.724 ( -2.414 0.000 -1.268) 2.727 0.758 ( -0.895 0.000 0.067) 0.897 0.770 ( 1.198 0.000 -1.836) 2.193 0.811 ( 0.321 0.000 -2.287) 2.310 0.861 ( -2.801 0.000 0.136) 2.804 0.873 ( 0.101 0.000 -0.459) 0.470 0.916 ( -1.408 0.000 -2.721) 3.064 0.928 ( 3.990 0.000 -1.161) 4.156 1.002 ( 1.693 0.000 3.019) 3.461 1.038 ( -0.533 0.000 4.044) 4.079 1.048 ( -1.465 0.000 0.430) 1.527 1.058 ( 1.829 0.000 1.803) 2.568 1.060 ( 4.335 0.000 0.011) 4.335 1.138 ( -0.459 0.000 2.121) 2.170 1.180 ( 0.448 0.000 -1.384) 1.455 1.206 ( 0.052 0.000 1.507) 1.508 1.246 ( 4.368 0.000 -1.301) 4.557 1.253 ( 2.336 0.000 3.233) 3.989 1.306 ( 0.819 0.000 -0.153) 0.833 1.378 ( 2.389 0.000 -7.171) 7.559 1.417 ( -3.648 0.000 0.905) 3.758 1.452 ( -0.753 0.000 -1.029) 1.275 1.462 ( 0.585 0.000 -2.286) 2.360 1.564 ( 2.686 0.000 -1.222) 2.951 1.598 ( 0.609 0.000 -1.582) 1.695 1.626 ( 3.434 0.000 -1.854) 3.902 1.702 ( 0.909 0.000 -0.705) 1.150 1.743 ( -2.293 0.000 1.287) 2.630 1.764 ( 2.279 0.000 1.361) 2.654 1.794 ( -0.411 0.000 -2.193) 2.231 1.881 ( -2.401 0.000 0.109) 2.404 1.922 ( 1.616 0.000 1.225) 2.028 1.988 ( -0.132 0.000 0.559) 0.575 2.017 ( 0.915 0.000 2.178) 2.362 2.018 ( -0.467 0.000 -2.711) 2.751 2.063 ( 2.424 0.000 -1.781) 3.008 2.136 ( -0.300 0.000 2.046) 2.068 2.272 ( 1.510 0.000 -3.694) 3.991 2.276 ( -3.444 0.000 1.231) 3.657 2.717 ( 1.550 0.000 -2.252) 2.734 2.812 ( 1.234 0.000 -0.911) 1.534 2.823 ( -3.006 0.000 0.860) 3.126 2.864 ( -2.516 0.000 0.178) 2.523 3.358 ( 0.476 0.000 -1.672) 1.739 3.381 ( -0.763 0.000 -0.492) 0.907 3.461 ( -0.661 0.000 0.777) 1.020 3.522 ( 0.734 0.000 -1.842) 1.982 3.659 ( 3.924 0.000 0.558) 3.964 3.703 ( -0.471 0.000 0.182) 0.505 3.792 ( -0.365 0.000 -1.357) 1.405 3.831 ( -1.132 0.000 -0.113) 1.138 4.342 ( -0.111 0.000 -0.090) 0.143 4.348 ( 0.029 0.000 1.733) 1.733 4.371 ( 1.317 0.000 0.952) 1.625 4.412 ( 2.570 0.000 0.461) 2.611 4.456 ( -5.097 0.000 4.682) 6.921 4.535 ( -2.307 0.000 -1.310) 2.653 4.545 ( -2.950 0.000 4.208) 5.140 4.593 ( 1.512 0.000 0.416) 1.568 5.444 ( -0.839 0.000 1.295) 1.543 5.476 ( 0.377 0.000 -0.749) 0.838 5.531 ( 3.091 0.000 1.538) 3.452 5.689 ( -0.496 0.000 -0.640) 0.809 5.790 ( -3.604 0.000 5.018) 6.178 5.828 ( -3.505 0.000 6.076) 7.014 5.933 ( 4.958 0.000 -7.712) 9.168 5.984 ( 5.433 0.000 -6.646) 8.584 6.688 ( -4.153 0.000 5.774) 7.113 6.732 ( -5.142 0.000 6.296) 8.129 6.790 ( 3.203 0.000 -3.820) 4.985 6.856 ( 3.062 0.000 -4.702) 5.611 6.957 ( 1.262 0.000 -0.857) 1.525 6.968 ( -1.456 0.000 0.330) 1.493 6.992 ( 0.947 0.000 -1.584) 1.845 7.014 ( -1.392 0.000 0.541) 1.494 11.598 ( 0.044 0.000 1.221) 1.221 11.662 ( -0.700 0.000 0.831) 1.087 11.763 ( 0.958 0.000 3.575) 3.701 11.819 ( 0.107 0.000 -0.607) 0.616 11.882 ( 3.095 0.000 -1.233) 3.332 11.910 ( -1.666 0.000 0.803) 1.850 11.945 ( -1.801 0.000 -2.264) 2.893 11.948 ( -0.585 0.000 1.653) 1.753 12.105 ( 0.619 0.000 -2.019) 2.112 12.146 ( 0.677 0.000 -1.829) 1.950 12.404 ( 1.640 0.000 3.632) 3.985 12.622 ( 1.993 0.000 -0.075) 1.995 12.710 ( -1.424 0.000 -1.414) 2.007 12.747 ( -1.817 0.000 0.218) 1.830 12.816 ( 0.304 0.000 -0.473) 0.562 12.850 ( -1.027 0.000 -0.985) 1.423 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -6.905 0.000 1.269) 7.021 0.599 ( 6.539 0.000 -6.915) 9.517 0.603 ( -3.206 0.000 2.386) 3.997 0.632 ( 4.158 0.000 0.370) 4.174 0.651 ( 0.011 0.000 -0.355) 0.355 0.667 ( 1.978 0.000 -1.469) 2.464 0.717 ( -2.060 0.000 -1.197) 2.383 0.757 ( 0.221 0.000 -3.860) 3.866 0.812 ( -2.717 0.000 -0.026) 2.717 0.817 ( 2.063 0.000 -0.399) 2.101 0.877 ( 0.320 0.000 0.576) 0.659 0.884 ( -1.025 0.000 -0.121) 1.032 0.979 ( 2.237 0.000 1.543) 2.717 1.006 ( -3.325 0.000 -0.168) 3.329 1.025 ( -1.237 0.000 1.800) 2.184 1.061 ( 0.386 0.000 -0.281) 0.478 1.116 ( 0.057 0.000 -0.026) 0.063 1.122 ( 1.029 0.000 6.114) 6.201 1.135 ( -0.374 0.000 -0.365) 0.523 1.207 ( 0.358 0.000 2.511) 2.537 1.230 ( -0.093 0.000 1.843) 1.845 1.232 ( -1.124 0.000 -2.429) 2.676 1.291 ( -1.965 0.000 -1.950) 2.769 1.318 ( 2.953 0.000 -4.653) 5.511 1.371 ( 4.735 0.000 0.008) 4.735 1.373 ( -3.854 0.000 1.410) 4.104 1.402 ( -3.059 0.000 -0.341) 3.078 1.448 ( 1.073 0.000 -2.563) 2.778 1.583 ( 0.264 0.000 -0.230) 0.351 1.590 ( 0.276 0.000 -1.085) 1.119 1.644 ( 0.046 0.000 0.267) 0.271 1.687 ( -0.653 0.000 -3.696) 3.753 1.742 ( 0.684 0.000 0.784) 1.041 1.768 ( 0.962 0.000 -0.884) 1.306 1.811 ( 1.589 0.000 1.569) 2.234 1.829 ( -3.127 0.000 -0.023) 3.127 1.934 ( -0.912 0.000 0.687) 1.142 1.970 ( 0.394 0.000 -1.751) 1.795 2.026 ( 2.187 0.000 0.336) 2.213 2.048 ( 0.707 0.000 -1.756) 1.893 2.098 ( 1.910 0.000 1.295) 2.308 2.112 ( -2.736 0.000 -0.279) 2.750 2.228 ( -4.629 0.000 2.425) 5.226 2.290 ( 5.305 0.000 -2.967) 6.079 2.740 ( 3.506 0.000 -0.176) 3.510 2.754 ( -4.024 0.000 -1.333) 4.239 2.837 ( -1.977 0.000 0.394) 2.016 2.840 ( 2.421 0.000 0.044) 2.421 3.357 ( 1.323 0.000 -0.764) 1.528 3.358 ( -1.029 0.000 -0.718) 1.254 3.471 ( 0.048 0.000 1.416) 1.417 3.506 ( 0.170 0.000 -2.047) 2.054 3.720 ( 1.151 0.000 1.438) 1.842 3.741 ( 3.782 0.000 2.040) 4.297 3.751 ( -2.377 0.000 -1.647) 2.892 3.787 ( -2.219 0.000 -2.118) 3.068 4.348 ( 0.566 0.000 0.337) 0.659 4.348 ( -0.869 0.000 0.535) 1.020 4.420 ( -2.262 0.000 3.675) 4.315 4.445 ( 1.839 0.000 1.105) 2.145 4.463 ( -0.898 0.000 -0.333) 0.958 4.472 ( 1.498 0.000 -1.823) 2.360 4.556 ( -2.848 0.000 4.606) 5.415 4.618 ( 2.147 0.000 -1.242) 2.481 5.449 ( -0.388 0.000 1.273) 1.330 5.469 ( 0.136 0.000 -0.778) 0.790 5.606 ( 2.845 0.000 2.298) 3.658 5.644 ( -3.159 0.000 -1.403) 3.456 5.789 ( -3.926 0.000 4.869) 6.254 5.849 ( -3.433 0.000 5.951) 6.870 5.920 ( 5.353 0.000 -7.671) 9.354 5.981 ( 4.828 0.000 -7.037) 8.534 6.692 ( -4.451 0.000 5.847) 7.348 6.731 ( -4.875 0.000 6.545) 8.161 6.791 ( 2.764 0.000 -3.817) 4.713 6.844 ( 2.779 0.000 -4.516) 5.303 6.950 ( -1.140 0.000 0.346) 1.191 6.973 ( 2.390 0.000 -1.664) 2.912 6.998 ( -1.230 0.000 0.086) 1.233 7.000 ( 1.541 0.000 -0.389) 1.590 11.624 ( 0.544 0.000 1.927) 2.002 11.651 ( -1.073 0.000 -0.258) 1.103 11.805 ( -0.637 0.000 2.198) 2.289 11.812 ( -0.794 0.000 0.476) 0.926 11.894 ( -2.316 0.000 1.247) 2.630 11.897 ( -1.997 0.000 1.125) 2.292 11.936 ( 5.046 0.000 -2.009) 5.432 11.946 ( 0.427 0.000 -1.417) 1.480 12.104 ( 1.293 0.000 -0.761) 1.500 12.129 ( 0.575 0.000 -2.467) 2.533 12.482 ( 1.399 0.000 5.254) 5.437 12.579 ( -2.635 0.000 -3.995) 4.785 12.715 ( 1.783 0.000 0.292) 1.806 12.722 ( -1.500 0.000 -0.240) 1.519 12.817 ( 0.241 0.000 0.008) 0.241 12.825 ( -0.741 0.000 -0.657) 0.990 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -8.088 0.000 7.373) 10.944 0.503 ( -8.116 0.000 1.177) 8.201 0.603 ( -2.370 0.000 -2.363) 3.346 0.634 ( 5.614 0.000 -3.743) 6.747 0.690 ( 1.366 0.000 -4.288) 4.500 0.711 ( 3.175 0.000 -0.423) 3.203 0.730 ( 0.697 0.000 2.395) 2.495 0.741 ( 2.215 0.000 1.560) 2.709 0.774 ( -1.908 0.000 0.684) 2.027 0.838 ( 0.418 0.000 1.458) 1.516 0.866 ( -1.375 0.000 0.028) 1.376 0.895 ( 1.110 0.000 0.169) 1.123 0.940 ( -4.156 0.000 -1.299) 4.354 1.012 ( -0.896 0.000 0.995) 1.339 1.030 ( -1.799 0.000 2.533) 3.107 1.069 ( 0.628 0.000 -1.315) 1.457 1.101 ( -3.633 0.000 -1.617) 3.977 1.116 ( -0.259 0.000 2.161) 2.177 1.152 ( -0.452 0.000 -4.498) 4.520 1.175 ( -5.869 0.000 -0.170) 5.871 1.208 ( -0.084 0.000 3.960) 3.961 1.233 ( -1.444 0.000 0.617) 1.571 1.248 ( -2.038 0.000 2.030) 2.877 1.306 ( -2.306 0.000 -1.224) 2.611 1.313 ( 1.176 0.000 -1.845) 2.188 1.401 ( -1.617 0.000 3.868) 4.192 1.422 ( -0.230 0.000 0.326) 0.399 1.445 ( 3.311 0.000 -1.176) 3.514 1.565 ( -1.902 0.000 -0.867) 2.090 1.576 ( -0.962 0.000 0.371) 1.031 1.620 ( -2.750 0.000 -1.265) 3.027 1.655 ( -0.439 0.000 2.163) 2.207 1.756 ( -1.210 0.000 0.406) 1.276 1.776 ( 2.277 0.000 -2.288) 3.228 1.798 ( -0.472 0.000 0.008) 0.472 1.865 ( 1.986 0.000 1.961) 2.791 1.958 ( 1.535 0.000 2.742) 3.143 1.976 ( 2.643 0.000 -1.098) 2.862 1.989 ( -2.806 0.000 -2.724) 3.911 2.021 ( -2.262 0.000 -1.220) 2.570 2.085 ( -0.731 0.000 -0.371) 0.820 2.154 ( 2.363 0.000 0.106) 2.366 2.202 ( -2.537 0.000 3.293) 4.157 2.336 ( 5.389 0.000 -4.445) 6.986 2.692 ( -2.375 0.000 0.099) 2.377 2.806 ( -1.904 0.000 -0.204) 1.914 2.814 ( 4.400 0.000 1.076) 4.529 2.877 ( 2.390 0.000 -0.587) 2.461 3.340 ( -0.448 0.000 0.024) 0.449 3.376 ( 1.469 0.000 -0.185) 1.481 3.485 ( 0.308 0.000 -1.655) 1.684 3.488 ( -0.424 0.000 1.539) 1.596 3.679 ( -3.964 0.000 -1.436) 4.216 3.730 ( -0.945 0.000 -2.161) 2.359 3.755 ( 0.331 0.000 2.079) 2.105 3.818 ( 2.787 0.000 1.026) 2.969 4.344 ( -0.041 0.000 0.049) 0.064 4.363 ( 0.498 0.000 0.511) 0.713 4.391 ( -2.696 0.000 -2.014) 3.365 4.401 ( -3.129 0.000 1.931) 3.677 4.514 ( 3.336 0.000 0.801) 3.431 4.528 ( 5.043 0.000 -1.897) 5.388 4.565 ( -1.877 0.000 3.393) 3.877 4.628 ( 2.443 0.000 -3.040) 3.900 5.462 ( 0.055 0.000 1.003) 1.005 5.466 ( 0.699 0.000 -0.848) 1.099 5.565 ( -3.970 0.000 -1.723) 4.327 5.664 ( 0.777 0.000 1.890) 2.044 5.791 ( -3.922 0.000 5.843) 7.037 5.860 ( -4.023 0.000 5.501) 6.815 5.915 ( 5.546 0.000 -7.281) 9.153 5.966 ( 4.514 0.000 -7.398) 8.666 6.690 ( -4.786 0.000 5.890) 7.589 6.737 ( -4.837 0.000 6.873) 8.404 6.785 ( 2.407 0.000 -3.735) 4.443 6.837 ( 2.988 0.000 -4.056) 5.038 6.941 ( -0.627 0.000 0.398) 0.743 6.980 ( -0.825 0.000 -0.017) 0.825 6.990 ( 2.659 0.000 -1.941) 3.292 7.023 ( 1.732 0.000 -0.396) 1.777 11.625 ( -0.953 0.000 -1.077) 1.438 11.653 ( 0.146 0.000 1.504) 1.511 11.806 ( -0.973 0.000 0.862) 1.300 11.807 ( -1.498 0.000 1.690) 2.258 11.849 ( -3.802 0.000 -0.791) 3.884 11.891 ( -1.438 0.000 1.999) 2.462 11.947 ( 2.244 0.000 -1.725) 2.830 11.996 ( 5.067 0.000 -2.061) 5.470 12.107 ( 0.675 0.000 -2.352) 2.447 12.120 ( 1.046 0.000 0.117) 1.052 12.483 ( -2.933 0.000 -3.967) 4.933 12.575 ( 1.329 0.000 5.449) 5.608 12.693 ( -1.134 0.000 -0.343) 1.185 12.747 ( 1.626 0.000 0.259) 1.647 12.811 ( -0.470 0.000 -0.026) 0.471 12.826 ( 0.228 0.000 0.939) 0.966 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -8.871 0.000 4.549) 9.969 0.426 ( -6.375 0.000 9.093) 11.105 0.569 ( -1.336 0.000 1.558) 2.052 0.636 ( 1.297 0.000 -4.984) 5.150 0.673 ( -7.927 0.000 0.852) 7.973 0.690 ( 3.643 0.000 -1.683) 4.014 0.747 ( -5.493 0.000 2.491) 6.031 0.757 ( -1.111 0.000 0.452) 1.200 0.795 ( 0.922 0.000 2.414) 2.584 0.823 ( -2.540 0.000 0.191) 2.547 0.864 ( -0.194 0.000 0.005) 0.194 0.904 ( 1.194 0.000 -1.167) 1.670 0.906 ( 2.328 0.000 3.906) 4.547 0.979 ( -2.176 0.000 -0.971) 2.383 0.991 ( -2.514 0.000 -0.232) 2.525 1.047 ( -0.839 0.000 -1.255) 1.509 1.053 ( -0.835 0.000 0.508) 0.978 1.107 ( 0.871 0.000 -4.080) 4.172 1.122 ( -3.772 0.000 0.039) 3.772 1.135 ( -2.452 0.000 1.547) 2.900 1.195 ( -2.362 0.000 -0.411) 2.397 1.214 ( 0.049 0.000 0.238) 0.243 1.253 ( -0.817 0.000 -3.265) 3.366 1.280 ( -2.434 0.000 6.492) 6.933 1.289 ( -1.439 0.000 -1.131) 1.831 1.425 ( -0.529 0.000 0.582) 0.786 1.438 ( 0.133 0.000 3.859) 3.862 1.492 ( 2.363 0.000 1.386) 2.740 1.524 ( -0.835 0.000 -1.586) 1.793 1.557 ( -2.791 0.000 1.709) 3.273 1.590 ( 0.061 0.000 -0.250) 0.257 1.674 ( -1.353 0.000 3.070) 3.355 1.724 ( -1.309 0.000 -0.213) 1.326 1.796 ( 2.540 0.000 -0.982) 2.723 1.798 ( 0.163 0.000 -0.035) 0.166 1.902 ( 0.197 0.000 0.076) 0.212 1.928 ( -0.472 0.000 -2.984) 3.021 1.959 ( -3.354 0.000 -0.362) 3.373 2.027 ( 3.228 0.000 1.394) 3.516 2.031 ( -2.640 0.000 -4.545) 5.256 2.041 ( 3.537 0.000 3.170) 4.750 2.134 ( -2.407 0.000 -1.364) 2.767 2.236 ( 0.208 0.000 2.504) 2.513 2.332 ( 0.808 0.000 -4.166) 4.244 2.676 ( -1.603 0.000 1.782) 2.397 2.787 ( -0.743 0.000 1.358) 1.548 2.872 ( 1.977 0.000 -1.114) 2.269 2.911 ( 2.940 0.000 -0.142) 2.944 3.347 ( 0.430 0.000 0.957) 1.049 3.397 ( 1.424 0.000 -0.036) 1.424 3.481 ( 1.038 0.000 -0.808) 1.315 3.497 ( -0.528 0.000 1.849) 1.923 3.600 ( -3.998 0.000 -0.724) 4.063 3.717 ( 1.001 0.000 -0.109) 1.007 3.778 ( -0.543 0.000 1.703) 1.787 3.842 ( 0.034 0.000 -0.571) 0.572 4.335 ( -1.640 0.000 -0.810) 1.829 4.346 ( -0.057 0.000 -0.094) 0.110 4.377 ( -1.049 0.000 0.522) 1.171 4.378 ( 0.771 0.000 -0.274) 0.818 4.533 ( -2.020 0.000 0.915) 2.218 4.577 ( 5.095 0.000 -3.684) 6.287 4.597 ( 2.244 0.000 0.203) 2.253 4.622 ( 2.375 0.000 -4.051) 4.696 5.464 ( -0.903 0.000 -0.247) 0.936 5.470 ( 1.347 0.000 -1.164) 1.780 5.491 ( -2.874 0.000 -0.858) 2.999 5.668 ( -2.178 0.000 0.509) 2.237 5.811 ( -3.272 0.000 6.411) 7.197 5.857 ( -4.497 0.000 5.072) 6.779 5.916 ( 5.623 0.000 -7.079) 9.041 5.948 ( 4.834 0.000 -7.357) 8.803 6.686 ( -4.829 0.000 5.934) 7.651 6.742 ( -5.078 0.000 6.792) 8.481 6.778 ( 2.468 0.000 -3.509) 4.289 6.842 ( 3.627 0.000 -3.561) 5.083 6.940 ( -0.149 0.000 0.513) 0.535 6.976 ( -0.174 0.000 0.728) 0.749 7.007 ( 2.172 0.000 -1.932) 2.907 7.045 ( 1.825 0.000 -0.498) 1.892 11.604 ( -0.102 0.000 -0.517) 0.527 11.662 ( -0.537 0.000 0.630) 0.828 11.764 ( -2.398 0.000 -3.130) 3.943 11.804 ( -0.712 0.000 0.936) 1.176 11.812 ( -2.344 0.000 3.511) 4.221 11.890 ( -1.763 0.000 1.783) 2.507 11.962 ( 0.631 0.000 -0.191) 0.660 12.035 ( 4.538 0.000 -4.441) 6.350 12.109 ( 2.196 0.000 -0.393) 2.231 12.143 ( 1.616 0.000 0.402) 1.666 12.394 ( -2.905 0.000 -2.927) 4.123 12.582 ( -3.693 0.000 -1.840) 4.127 12.729 ( 2.819 0.000 2.745) 3.935 12.770 ( 0.575 0.000 0.466) 0.740 12.812 ( 0.464 0.000 0.281) 0.543 12.851 ( 0.575 0.000 2.104) 2.181 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( -12.358 0.000 3.891) 12.956 0.353 ( -5.626 0.000 7.229) 9.160 0.556 ( -1.683 0.000 -2.024) 2.633 0.594 ( 0.340 0.000 -3.792) 3.807 0.663 ( -4.161 0.000 14.894) 15.464 0.692 ( -3.651 0.000 1.343) 3.890 0.717 ( 2.018 0.000 -1.389) 2.450 0.763 ( 0.788 0.000 1.144) 1.389 0.818 ( 0.032 0.000 0.320) 0.322 0.833 ( -0.461 0.000 1.982) 2.035 0.876 ( -2.117 0.000 -2.057) 2.952 0.885 ( 0.991 0.000 0.837) 1.298 0.936 ( -0.393 0.000 -1.443) 1.495 0.964 ( -0.543 0.000 -0.948) 1.092 0.972 ( -6.017 0.000 -3.295) 6.860 0.997 ( 1.255 0.000 2.010) 2.370 1.021 ( -1.286 0.000 -1.665) 2.104 1.041 ( -0.725 0.000 -0.747) 1.041 1.090 ( -0.275 0.000 -1.002) 1.039 1.100 ( -4.511 0.000 0.893) 4.598 1.147 ( -1.716 0.000 -0.254) 1.735 1.225 ( 1.420 0.000 -1.731) 2.239 1.231 ( -1.790 0.000 -3.546) 3.973 1.239 ( 1.268 0.000 0.316) 1.306 1.319 ( -2.291 0.000 6.364) 6.763 1.429 ( 1.471 0.000 0.082) 1.474 1.479 ( 0.571 0.000 2.053) 2.131 1.497 ( -0.494 0.000 -0.731) 0.882 1.552 ( 1.786 0.000 1.946) 2.642 1.563 ( 0.809 0.000 2.135) 2.284 1.598 ( 0.650 0.000 0.663) 0.928 1.696 ( -0.445 0.000 2.984) 3.017 1.735 ( 1.520 0.000 0.768) 1.703 1.795 ( 0.077 0.000 -1.276) 1.278 1.803 ( -6.697 0.000 -4.174) 7.891 1.817 ( 0.969 0.000 -1.430) 1.727 1.885 ( -0.354 0.000 -2.699) 2.722 1.925 ( -1.632 0.000 0.607) 1.742 1.973 ( -0.428 0.000 0.808) 0.914 2.061 ( -3.223 0.000 -1.778) 3.681 2.111 ( 3.766 0.000 1.892) 4.214 2.122 ( 1.994 0.000 1.831) 2.707 2.245 ( -1.721 0.000 1.079) 2.031 2.291 ( -1.264 0.000 -0.357) 1.314 2.688 ( -0.937 0.000 4.141) 4.246 2.814 ( 0.142 0.000 3.153) 3.157 2.869 ( 0.626 0.000 -2.306) 2.390 2.940 ( 1.493 0.000 -1.475) 2.099 3.366 ( 0.391 0.000 0.940) 1.018 3.416 ( 1.160 0.000 -0.748) 1.381 3.492 ( 1.525 0.000 -0.850) 1.746 3.511 ( -2.115 0.000 1.080) 2.375 3.563 ( -0.001 0.000 2.829) 2.829 3.748 ( 1.473 0.000 1.480) 2.088 3.760 ( -2.467 0.000 -0.780) 2.587 3.835 ( 0.194 0.000 -0.114) 0.225 4.320 ( 0.253 0.000 -0.019) 0.254 4.327 ( -1.443 0.000 -0.287) 1.471 4.382 ( 0.741 0.000 -0.870) 1.143 4.399 ( 1.589 0.000 1.487) 2.177 4.488 ( -4.060 0.000 -0.161) 4.063 4.583 ( 2.789 0.000 -5.655) 6.305 4.615 ( 0.797 0.000 -0.984) 1.266 4.620 ( 2.690 0.000 -2.780) 3.868 5.435 ( -2.254 0.000 0.762) 2.379 5.459 ( -0.758 0.000 0.782) 1.089 5.477 ( 1.722 0.000 -1.866) 2.539 5.613 ( -3.832 0.000 -1.152) 4.002 5.828 ( -3.733 0.000 4.906) 6.164 5.845 ( -4.521 0.000 4.890) 6.660 5.921 ( 5.727 0.000 -6.854) 8.931 5.942 ( 5.323 0.000 -6.892) 8.708 6.683 ( -4.637 0.000 5.961) 7.552 6.742 ( -5.204 0.000 6.563) 8.376 6.779 ( 2.820 0.000 -3.403) 4.419 6.861 ( 4.607 0.000 -4.581) 6.497 6.948 ( 0.110 0.000 0.813) 0.820 6.992 ( 0.108 0.000 1.772) 1.775 7.006 ( 1.016 0.000 -2.163) 2.390 7.067 ( 1.687 0.000 -1.026) 1.975 11.611 ( 0.558 0.000 0.567) 0.796 11.656 ( -0.760 0.000 0.090) 0.766 11.729 ( 1.537 0.000 -0.424) 1.594 11.799 ( -1.115 0.000 0.336) 1.165 11.831 ( 0.216 0.000 2.813) 2.822 11.879 ( -2.371 0.000 1.901) 3.039 11.955 ( -2.442 0.000 1.713) 2.983 12.037 ( 3.620 0.000 -5.133) 6.281 12.168 ( 5.100 0.000 0.161) 5.102 12.183 ( 2.499 0.000 0.474) 2.543 12.318 ( -2.801 0.000 -2.049) 3.471 12.452 ( -8.434 0.000 -2.684) 8.851 12.776 ( -0.615 0.000 0.807) 1.014 12.779 ( 1.685 0.000 -0.446) 1.743 12.832 ( 1.349 0.000 0.367) 1.398 12.879 ( -0.140 0.000 0.586) 0.602 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 3.261 1.781 5.676) 6.784 0.429 ( 0.523 3.988 4.982) 6.403 0.523 ( 0.035 -1.752 -2.804) 3.306 0.552 ( 0.825 1.899 -2.763) 3.452 0.638 ( -0.766 -1.870 1.163) 2.332 0.675 ( -1.216 -1.252 -2.596) 3.128 0.733 ( 0.495 -1.704 3.208) 3.666 0.792 ( 0.972 -0.549 -0.677) 1.306 0.795 ( -0.787 -1.142 -0.865) 1.634 0.801 ( -0.176 -0.454 -1.324) 1.411 0.846 ( 0.752 -1.313 0.797) 1.710 0.868 ( -0.358 -1.657 -1.174) 2.062 0.934 ( -0.090 2.611 0.570) 2.674 0.959 ( -0.365 2.377 -1.634) 2.908 1.003 ( -0.658 2.264 2.288) 3.285 1.015 ( -0.405 0.830 0.515) 1.057 1.025 ( 0.627 1.291 -0.591) 1.552 1.033 ( -1.090 0.501 -1.154) 1.665 1.075 ( -0.911 0.741 0.999) 1.542 1.089 ( 0.900 4.899 1.662) 5.251 1.140 ( -0.072 -0.669 0.817) 1.058 1.197 ( -1.127 3.559 -2.165) 4.316 1.267 ( -0.214 3.193 0.002) 3.200 1.285 ( 0.443 2.556 -0.926) 2.754 1.394 ( -1.163 2.127 4.705) 5.293 1.449 ( 2.717 -1.349 0.516) 3.077 1.487 ( -0.924 -0.517 1.573) 1.897 1.525 ( 0.379 -0.244 2.738) 2.775 1.534 ( -0.176 -0.031 -1.638) 1.648 1.610 ( 1.815 -1.472 -2.607) 3.501 1.619 ( -0.706 -0.291 2.665) 2.772 1.667 ( -0.709 -1.835 2.289) 3.018 1.705 ( 1.832 -0.906 -1.293) 2.418 1.735 ( 1.561 -1.223 -3.611) 4.119 1.770 ( -0.818 -0.144 2.632) 2.760 1.822 ( -0.378 -1.780 -2.331) 2.957 1.882 ( 0.413 0.795 0.575) 1.065 1.910 ( -0.291 -1.166 -1.342) 1.802 1.946 ( 0.688 -0.887 2.087) 2.370 1.995 ( -1.930 -0.267 -2.298) 3.013 2.149 ( 0.978 -1.404 2.638) 3.144 2.179 ( 0.990 -0.538 -0.051) 1.128 2.251 ( -1.305 1.552 1.143) 2.328 2.273 ( 0.386 0.064 -0.827) 0.915 2.736 ( 0.376 -0.746 4.434) 4.512 2.785 ( -0.788 -2.717 0.221) 2.838 2.903 ( 0.719 2.337 0.425) 2.482 2.940 ( -0.397 1.139 -2.496) 2.772 3.388 ( -0.295 0.265 1.034) 1.108 3.413 ( 0.336 0.564 -1.359) 1.509 3.459 ( -1.932 -1.925 1.264) 3.007 3.489 ( 1.891 -1.586 -1.635) 2.960 3.658 ( 2.426 1.968 3.655) 4.808 3.721 ( -2.034 1.661 -2.155) 3.397 3.779 ( 0.827 -1.021 2.117) 2.492 3.820 ( -0.573 -0.648 -1.844) 2.036 4.307 ( -1.354 0.153 0.759) 1.560 4.330 ( 0.998 0.324 -0.793) 1.315 4.392 ( 0.519 -0.710 0.550) 1.037 4.402 ( -2.587 -0.840 -0.048) 2.720 4.444 ( 0.005 0.135 2.561) 2.564 4.529 ( 0.932 -1.342 -4.909) 5.174 4.597 ( -0.389 -1.016 -0.510) 1.201 4.610 ( 0.890 -1.090 -2.020) 2.462 5.385 ( -1.135 -3.251 1.813) 3.891 5.419 ( 1.305 -4.298 -1.231) 4.657 5.476 ( 1.498 -1.811 0.889) 2.513 5.503 ( -2.080 -2.726 -1.465) 3.729 5.841 ( -4.171 2.083 4.307) 6.347 5.860 ( -3.439 2.135 3.799) 5.551 5.955 ( 4.910 2.027 -5.790) 7.857 5.969 ( 5.108 1.715 -5.822) 7.933 6.705 ( -4.410 2.008 5.727) 7.502 6.762 ( -4.551 1.820 5.392) 7.287 6.802 ( 2.056 1.990 -2.770) 3.983 6.881 ( 3.954 1.151 -5.066) 6.528 6.957 ( 0.168 -0.346 0.752) 0.845 6.983 ( 0.556 -0.839 -1.820) 2.080 7.013 ( -0.245 -0.436 2.016) 2.078 7.054 ( 0.435 -0.951 -1.781) 2.066 11.641 ( -0.272 1.317 1.418) 1.954 11.666 ( -0.261 1.915 -1.065) 2.207 11.747 ( -1.747 -1.896 0.240) 2.589 11.751 ( 1.849 -1.234 -0.170) 2.229 11.883 ( -3.320 1.562 2.291) 4.326 11.903 ( 1.375 0.380 1.974) 2.435 11.968 ( -0.493 3.165 0.143) 3.206 12.038 ( 3.442 0.664 -4.681) 5.848 12.223 ( 2.738 -0.782 0.931) 2.996 12.236 ( -0.527 -1.326 -0.235) 1.446 12.277 ( 3.796 0.219 -0.648) 3.857 12.282 ( -6.409 -0.349 -0.940) 6.487 12.758 ( -0.462 -1.341 0.704) 1.583 12.767 ( 0.083 -1.886 -0.070) 1.889 12.855 ( -0.583 -0.309 0.517) 0.838 12.856 ( 0.132 -0.347 0.422) 0.562 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 3.434 2.091 -4.562) 6.081 0.479 ( 3.067 1.842 -0.047) 3.578 0.530 ( 3.840 1.039 0.319) 3.991 0.579 ( 3.238 1.414 -2.051) 4.086 0.628 ( -0.243 -3.602 0.755) 3.689 0.711 ( 2.720 -1.431 0.463) 3.109 0.742 ( -1.852 -1.865 0.270) 2.642 0.794 ( 2.106 -1.231 -1.072) 2.665 0.819 ( 2.404 -0.388 0.264) 2.450 0.841 ( 4.841 -0.202 0.725) 4.899 0.853 ( 0.436 -2.821 -1.195) 3.094 0.882 ( 3.142 -0.847 1.084) 3.430 0.929 ( -0.028 2.021 0.141) 2.026 0.958 ( 0.166 2.231 1.286) 2.581 0.992 ( -1.829 1.547 0.582) 2.465 1.008 ( -0.343 0.991 0.464) 1.146 1.022 ( -0.944 0.657 1.195) 1.658 1.050 ( 1.023 1.743 -1.122) 2.312 1.083 ( 1.126 0.313 0.720) 1.373 1.108 ( 0.937 0.777 0.375) 1.274 1.155 ( 1.932 2.053 -1.126) 3.036 1.222 ( 3.361 4.490 0.822) 5.669 1.246 ( -1.730 3.031 1.176) 3.683 1.279 ( 0.262 3.673 -0.712) 3.750 1.409 ( -1.416 -0.004 0.759) 1.607 1.474 ( 2.513 0.889 -3.376) 4.302 1.492 ( -1.340 0.838 0.865) 1.802 1.498 ( -0.572 1.007 0.370) 1.216 1.562 ( -0.900 -1.438 1.519) 2.278 1.593 ( 2.317 -1.167 -3.646) 4.475 1.612 ( -1.775 -1.364 0.014) 2.239 1.682 ( 0.606 -1.296 -1.221) 1.881 1.698 ( 0.122 -0.547 -1.041) 1.183 1.750 ( 3.353 -1.606 -1.107) 3.880 1.791 ( -0.946 -1.098 -2.064) 2.522 1.800 ( -0.017 1.019 3.561) 3.704 1.863 ( -1.250 -2.780 0.161) 3.052 1.914 ( 0.468 -0.634 0.028) 0.789 1.960 ( 1.499 -0.969 -0.518) 1.859 2.012 ( 1.253 -1.026 2.004) 2.577 2.145 ( -1.124 -0.062 -1.415) 1.808 2.182 ( 0.122 1.194 -1.397) 1.842 2.266 ( 0.849 -0.031 1.899) 2.081 2.288 ( 2.209 0.479 -1.043) 2.489 2.758 ( -0.381 -1.432 -2.236) 2.682 2.791 ( 0.877 -1.950 1.881) 2.847 2.887 ( -2.183 1.621 -1.508) 3.109 2.921 ( -0.715 1.444 1.387) 2.126 3.384 ( -0.982 -0.139 0.382) 1.063 3.408 ( 0.071 0.934 -0.367) 1.006 3.454 ( -0.598 -1.577 1.076) 2.000 3.509 ( 2.408 -1.978 -1.099) 3.305 3.656 ( -1.260 1.608 -3.315) 3.894 3.739 ( 2.108 1.358 2.050) 3.239 3.776 ( -1.123 -0.844 -1.506) 2.059 3.815 ( 0.447 -0.238 1.517) 1.599 4.304 ( -0.884 -0.080 1.494) 1.737 4.336 ( 1.182 0.696 -0.720) 1.549 4.359 ( -2.128 -0.114 1.147) 2.420 4.435 ( 0.880 -0.452 0.736) 1.233 4.463 ( -2.471 -0.473 3.546) 4.347 4.480 ( 0.925 -1.440 -3.265) 3.687 4.577 ( -1.967 -0.942 0.423) 2.221 4.596 ( -0.583 -1.317 -0.749) 1.623 5.387 ( -1.057 -3.596 1.186) 3.931 5.418 ( 0.861 -4.263 -1.143) 4.497 5.474 ( 0.408 -1.145 -1.023) 1.588 5.541 ( 3.856 -3.160 1.637) 5.247 5.827 ( -4.211 2.448 4.502) 6.632 5.853 ( -3.433 2.357 4.044) 5.805 5.963 ( 4.971 1.780 -5.798) 7.841 5.980 ( 5.202 1.517 -5.848) 7.973 6.705 ( -4.403 1.924 5.660) 7.425 6.759 ( -4.915 1.548 6.215) 8.074 6.800 ( 2.319 1.950 -3.113) 4.344 6.881 ( 3.681 1.569 -4.724) 6.191 6.963 ( -0.190 -1.048 -0.414) 1.143 6.972 ( 0.382 -0.371 -0.476) 0.714 7.022 ( -0.928 -0.854 0.247) 1.285 7.036 ( -0.168 -0.407 -0.724) 0.847 11.633 ( -1.375 1.134 -0.084) 1.784 11.668 ( 0.219 2.039 0.942) 2.256 11.717 ( -1.680 -1.070 0.089) 1.994 11.785 ( 2.238 -1.348 -0.240) 2.623 11.852 ( -2.510 0.926 0.859) 2.810 11.926 ( -2.638 -0.719 3.770) 4.657 11.967 ( 1.014 3.147 -1.435) 3.604 12.036 ( 2.746 0.897 -4.081) 5.000 12.168 ( -3.876 -1.576 -0.878) 4.276 12.192 ( -2.267 -0.292 -1.571) 2.774 12.290 ( 2.974 1.159 1.597) 3.569 12.402 ( 7.966 -1.239 0.933) 8.116 12.752 ( -0.897 -1.344 0.266) 1.637 12.775 ( 0.358 -1.390 0.159) 1.444 12.838 ( -1.387 0.264 0.118) 1.416 12.865 ( -0.040 -0.826 0.286) 0.875 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( 5.091 -1.827 -5.131) 7.456 0.528 ( 2.632 2.360 -0.042) 3.536 0.574 ( 2.568 -0.399 -2.888) 3.885 0.606 ( 2.593 0.384 -0.365) 2.647 0.645 ( 1.030 -2.261 -0.276) 2.500 0.717 ( -1.352 -1.114 0.733) 1.900 0.753 ( 1.729 -0.901 0.637) 2.051 0.818 ( 1.822 -2.241 -3.576) 4.597 0.833 ( 1.840 1.433 0.421) 2.370 0.847 ( 0.473 0.950 -0.531) 1.187 0.900 ( 1.837 1.123 0.397) 2.190 0.933 ( 0.515 0.855 1.639) 1.919 0.954 ( 0.037 1.314 -0.700) 1.489 0.979 ( 1.224 0.337 0.646) 1.425 1.006 ( 0.208 -0.473 2.588) 2.639 1.017 ( 0.697 2.702 -1.620) 3.227 1.032 ( 0.178 0.090 1.455) 1.469 1.042 ( 2.393 1.122 1.124) 2.872 1.117 ( 1.746 0.571 0.466) 1.895 1.136 ( 0.002 -1.805 3.566) 3.997 1.196 ( -0.908 1.531 -0.603) 1.879 1.201 ( 4.896 2.858 -3.190) 6.505 1.272 ( 1.363 4.521 -0.151) 4.724 1.322 ( 2.299 3.849 0.727) 4.542 1.388 ( 0.611 -2.160 -0.879) 2.411 1.448 ( 2.225 2.201 -6.509) 7.222 1.493 ( -0.586 1.838 1.953) 2.745 1.506 ( -0.144 1.637 -0.451) 1.704 1.537 ( 0.518 -1.536 -2.360) 2.863 1.578 ( -0.094 -2.645 -1.955) 3.291 1.599 ( 1.284 -0.586 -2.002) 2.449 1.672 ( -0.254 -2.037 -0.015) 2.053 1.703 ( 2.067 -1.297 -0.610) 2.516 1.749 ( -1.212 -0.850 -1.403) 2.040 1.798 ( 2.807 -2.496 0.787) 3.837 1.838 ( -0.217 1.548 2.208) 2.705 1.867 ( 0.374 -2.790 1.392) 3.141 1.934 ( 1.235 -2.485 1.014) 2.955 1.981 ( 0.466 -1.062 -0.249) 1.186 2.021 ( -0.133 -3.647 -0.467) 3.679 2.113 ( -0.609 2.853 -1.700) 3.376 2.171 ( 0.573 3.703 -0.392) 3.767 2.286 ( 0.709 -0.716 -1.766) 2.033 2.307 ( 0.039 0.906 0.923) 1.294 2.726 ( 0.708 -0.647 -3.137) 3.280 2.794 ( -0.003 -2.702 -2.186) 3.475 2.851 ( -2.003 1.547 1.478) 2.931 2.914 ( -2.491 0.691 1.239) 2.867 3.375 ( -0.514 0.283 0.013) 0.587 3.403 ( -0.059 0.853 -0.458) 0.970 3.453 ( -0.919 -1.379 0.484) 1.726 3.523 ( 0.905 -1.758 -1.708) 2.613 3.622 ( 1.778 1.381 -1.698) 2.820 3.721 ( -1.401 -1.013 -1.379) 2.211 3.799 ( 1.109 1.089 0.665) 1.691 3.836 ( 0.373 0.292 0.828) 0.954 4.314 ( 0.146 -0.110 1.258) 1.271 4.349 ( 0.319 0.121 0.946) 1.006 4.361 ( -0.434 0.942 1.288) 1.654 4.406 ( -0.334 0.696 -1.654) 1.825 4.462 ( -3.921 -0.957 4.352) 5.935 4.510 ( 1.865 -2.802 1.057) 3.528 4.555 ( -2.100 -0.258 1.942) 2.872 4.570 ( -2.020 -1.446 -0.107) 2.487 5.390 ( -0.110 -3.658 0.951) 3.781 5.423 ( 0.647 -4.281 -0.256) 4.338 5.485 ( 1.453 -0.099 0.213) 1.472 5.616 ( 3.403 -4.039 0.477) 5.303 5.820 ( -3.876 2.748 4.884) 6.814 5.850 ( -3.404 2.416 4.418) 6.078 5.967 ( 4.681 1.734 -6.201) 7.961 5.989 ( 5.121 1.209 -6.030) 8.003 6.705 ( -4.217 1.935 5.629) 7.294 6.756 ( -5.144 1.540 6.284) 8.265 6.803 ( 2.947 1.915 -3.173) 4.735 6.882 ( 3.430 1.902 -4.393) 5.889 6.949 ( -0.060 -1.012 -0.965) 1.399 6.973 ( -0.554 -0.652 0.338) 0.919 7.000 ( 0.096 -0.652 -1.993) 2.099 7.025 ( -1.510 -0.610 0.567) 1.724 11.612 ( -0.946 1.297 0.091) 1.608 11.679 ( -0.759 1.715 1.347) 2.309 11.714 ( 0.364 0.032 1.714) 1.752 11.811 ( 1.356 -1.053 -0.433) 1.771 11.834 ( -0.036 -0.740 -0.278) 0.791 11.918 ( -3.121 -1.190 2.535) 4.193 11.971 ( 0.017 2.661 0.945) 2.824 12.012 ( 0.627 1.555 -4.302) 4.617 12.111 ( -1.724 -1.915 -1.157) 2.825 12.156 ( 0.398 -0.516 -2.019) 2.122 12.357 ( 2.555 1.873 2.010) 3.751 12.528 ( 5.686 -1.996 1.037) 6.114 12.736 ( -1.075 -0.880 -0.268) 1.415 12.773 ( -0.893 -0.532 0.020) 1.040 12.820 ( -0.534 0.164 -0.263) 0.618 12.860 ( -0.667 -1.164 -0.246) 1.364 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.475 ( 6.440 -4.085 -5.943) 9.669 0.556 ( 0.689 1.544 -0.697) 1.829 0.580 ( 0.207 -1.085 0.591) 1.253 0.607 ( -0.120 0.280 -1.603) 1.632 0.650 ( 0.543 -1.522 -0.427) 1.671 0.711 ( -0.065 -1.176 -0.321) 1.221 0.767 ( -0.644 0.476 -0.339) 0.870 0.789 ( 0.024 -0.718 -1.652) 1.801 0.830 ( -0.185 3.047 -0.935) 3.193 0.871 ( 0.135 1.457 0.624) 1.591 0.919 ( 0.280 2.891 -0.595) 2.965 0.929 ( -1.179 1.100 -1.542) 2.232 0.952 ( 1.430 1.602 -0.497) 2.205 1.008 ( -0.810 -1.325 1.779) 2.362 1.024 ( 1.960 1.356 0.508) 2.437 1.035 ( 0.755 -0.860 -0.091) 1.148 1.056 ( -0.075 0.494 2.847) 2.890 1.105 ( 1.818 0.693 2.064) 2.837 1.145 ( -0.372 -0.823 2.578) 2.732 1.168 ( -0.329 3.198 -0.452) 3.247 1.195 ( 1.837 -2.771 2.086) 3.925 1.257 ( 4.359 3.090 -1.856) 5.656 1.289 ( 2.294 4.452 -0.064) 5.008 1.336 ( 0.311 0.913 -1.087) 1.453 1.394 ( 1.930 1.664 -7.006) 7.455 1.409 ( 1.679 -2.260 -0.990) 2.984 1.466 ( -1.147 1.529 -2.865) 3.444 1.482 ( -1.504 2.665 -1.061) 3.239 1.550 ( 1.527 -1.557 -0.004) 2.181 1.574 ( 2.108 -1.755 -1.026) 2.928 1.593 ( 1.232 -2.087 -2.083) 3.196 1.668 ( -0.450 -4.240 -0.336) 4.277 1.714 ( 0.295 0.045 -2.096) 2.117 1.742 ( 1.919 -1.997 0.085) 2.771 1.830 ( -0.761 1.005 0.127) 1.267 1.867 ( -0.557 -1.063 1.081) 1.616 1.886 ( 1.549 -1.993 2.370) 3.463 1.960 ( -0.781 -1.141 2.234) 2.627 1.980 ( 0.384 -3.442 0.198) 3.469 2.024 ( 2.131 -1.912 -2.220) 3.624 2.093 ( 0.897 3.214 -1.644) 3.720 2.188 ( -0.044 4.130 2.003) 4.590 2.248 ( -1.237 -1.117 -3.222) 3.628 2.301 ( -1.456 1.065 0.316) 1.832 2.710 ( 1.696 -0.485 -2.205) 2.824 2.780 ( 1.208 -2.314 -1.033) 2.807 2.834 ( -2.699 0.564 0.821) 2.877 2.871 ( -3.189 0.265 -0.089) 3.201 3.364 ( -0.372 0.623 -0.551) 0.911 3.393 ( 0.020 1.168 -1.240) 1.704 3.445 ( -0.804 -1.460 0.997) 1.942 3.508 ( 0.706 -1.422 -2.036) 2.582 3.662 ( 3.070 0.236 0.745) 3.168 3.697 ( -0.421 -0.560 -0.007) 0.701 3.802 ( -0.042 1.023 -0.896) 1.361 3.841 ( -0.633 0.732 -0.159) 0.981 4.336 ( 0.193 0.031 1.259) 1.274 4.361 ( 0.033 0.748 0.280) 0.800 4.372 ( 1.024 0.283 1.133) 1.553 4.413 ( 1.069 -0.090 0.921) 1.414 4.448 ( -3.521 -0.751 3.218) 4.828 4.513 ( -2.622 -2.445 -0.552) 3.627 4.543 ( -2.063 -0.119 3.185) 3.797 4.575 ( 1.162 -1.287 1.213) 2.117 5.402 ( 0.032 -3.345 0.994) 3.489 5.427 ( -0.025 -4.090 -0.015) 4.090 5.525 ( 2.066 -0.282 1.619) 2.640 5.648 ( 0.973 -3.591 -1.058) 3.868 5.823 ( -3.403 2.769 4.806) 6.507 5.854 ( -3.295 2.142 4.965) 6.332 5.959 ( 4.412 1.986 -6.716) 8.277 5.994 ( 4.940 0.829 -6.270) 8.025 6.709 ( -4.088 2.004 5.775) 7.354 6.751 ( -4.858 1.666 5.999) 7.896 6.812 ( 2.918 2.067 -3.251) 4.833 6.877 ( 2.699 1.940 -4.430) 5.538 6.945 ( 0.825 -1.130 -0.529) 1.496 6.962 ( -0.828 -0.522 -0.110) 0.985 6.984 ( 0.809 -0.744 -1.580) 1.925 7.006 ( -1.360 -0.916 0.233) 1.656 11.614 ( 0.158 1.586 1.266) 2.035 11.680 ( -0.903 1.579 0.930) 2.043 11.758 ( 0.447 -0.364 3.635) 3.680 11.817 ( 0.213 -0.258 -0.205) 0.392 11.845 ( 2.022 -2.310 -0.851) 3.186 11.894 ( -3.116 -1.618 1.598) 3.857 11.957 ( -1.511 0.987 -1.397) 2.283 11.987 ( 0.964 2.895 -1.201) 3.279 12.083 ( 0.015 -1.603 -0.912) 1.845 12.146 ( 1.485 -0.322 -2.430) 2.866 12.420 ( 1.774 1.610 2.810) 3.693 12.594 ( 1.788 -2.757 -0.606) 3.341 12.713 ( -0.426 0.473 -0.880) 1.086 12.750 ( -1.648 0.071 -0.082) 1.652 12.815 ( 0.173 -0.127 -0.317) 0.383 12.841 ( -0.775 -0.758 -0.670) 1.275 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( -5.647 -0.217 -2.047) 6.011 0.516 ( 7.046 -3.751 -4.859) 9.345 0.601 ( 0.025 -3.435 0.594) 3.486 0.621 ( -0.354 -2.034 -1.385) 2.486 0.656 ( 1.425 3.235 3.961) 5.309 0.718 ( -0.581 2.169 -1.627) 2.773 0.731 ( 1.179 -0.913 -0.492) 1.570 0.758 ( -1.215 1.652 -2.509) 3.241 0.845 ( 0.310 2.709 1.317) 3.029 0.868 ( -0.573 3.506 -0.190) 3.558 0.893 ( -1.079 0.691 -0.066) 1.283 0.906 ( 0.024 2.585 -1.632) 3.057 0.982 ( 1.163 0.550 1.257) 1.798 0.997 ( -2.261 -0.288 0.554) 2.345 1.018 ( -1.231 -0.545 0.116) 1.351 1.041 ( 1.229 -1.245 -1.066) 2.048 1.097 ( -0.985 -0.963 3.360) 3.631 1.137 ( -0.542 0.360 -0.943) 1.146 1.159 ( 0.397 0.863 3.548) 3.673 1.190 ( -0.171 -0.199 3.496) 3.506 1.237 ( -0.237 0.440 0.576) 0.762 1.285 ( 0.931 2.522 0.135) 2.692 1.296 ( -0.698 0.611 -3.517) 3.638 1.326 ( 1.243 1.652 -2.406) 3.172 1.371 ( 0.968 1.096 -0.913) 1.724 1.390 ( -0.876 -0.529 -2.313) 2.529 1.415 ( -2.363 2.070 -0.251) 3.151 1.452 ( 1.553 1.489 -3.017) 3.705 1.563 ( 0.519 -1.505 0.085) 1.594 1.573 ( -0.198 -0.744 -1.058) 1.309 1.614 ( -0.335 -3.305 0.212) 3.329 1.639 ( 1.477 -3.743 -2.608) 4.795 1.724 ( 2.405 -1.181 -0.466) 2.720 1.737 ( -1.572 -2.711 -1.692) 3.561 1.829 ( 0.097 0.902 1.727) 1.951 1.843 ( -1.461 1.155 0.257) 1.880 1.942 ( -0.699 0.183 2.358) 2.466 1.981 ( 0.493 -2.341 0.672) 2.485 1.987 ( 0.897 -2.156 1.032) 2.553 2.018 ( 0.690 -1.484 -3.306) 3.689 2.109 ( 2.586 2.810 0.695) 3.881 2.154 ( -3.707 2.006 -2.396) 4.849 2.231 ( -1.495 0.634 2.965) 3.380 2.289 ( 2.333 -0.028 -2.264) 3.251 2.737 ( 3.003 -0.245 0.015) 3.013 2.752 ( -3.350 -0.186 -1.326) 3.608 2.823 ( -0.395 -1.215 0.477) 1.364 2.832 ( 0.631 -0.866 -0.455) 1.164 3.358 ( -0.060 0.423 0.187) 0.467 3.375 ( 0.200 1.395 -1.430) 2.007 3.454 ( -0.222 -1.487 1.544) 2.155 3.493 ( 0.536 -1.280 -2.168) 2.574 3.699 ( -0.729 -1.238 1.151) 1.841 3.715 ( 2.251 -1.157 -0.205) 2.539 3.794 ( 0.214 2.352 0.209) 2.371 3.812 ( -1.349 1.832 -1.229) 2.586 4.348 ( -0.357 0.346 1.012) 1.128 4.362 ( 0.388 0.996 -0.341) 1.122 4.416 ( -1.521 -0.340 3.303) 3.652 4.432 ( 1.132 -1.164 1.293) 2.075 4.445 ( -1.997 -1.699 -0.401) 2.652 4.461 ( 1.156 -1.012 -1.059) 1.866 4.559 ( -1.545 0.297 3.461) 3.802 4.604 ( 2.024 -1.191 -0.708) 2.453 5.411 ( -0.836 -3.251 1.119) 3.539 5.426 ( 0.546 -3.630 -0.397) 3.692 5.580 ( 1.175 -1.652 2.438) 3.171 5.624 ( -1.538 -2.037 -1.824) 3.137 5.827 ( -3.180 2.938 4.541) 6.274 5.866 ( -3.170 1.539 5.075) 6.178 5.948 ( 4.582 2.147 -6.632) 8.342 5.991 ( 4.584 0.734 -6.593) 8.063 6.714 ( -4.324 2.140 5.842) 7.577 6.751 ( -4.545 1.778 6.207) 7.896 6.814 ( 2.532 2.222 -3.409) 4.793 6.864 ( 2.524 1.768 -4.318) 5.305 6.943 ( -0.948 -0.689 0.332) 1.218 6.964 ( 2.350 -0.797 -1.681) 2.998 6.985 ( -0.563 -1.195 0.013) 1.321 6.991 ( 0.871 -0.927 -0.605) 1.408 11.642 ( 0.390 1.692 1.995) 2.645 11.670 ( -0.891 1.740 -0.261) 1.972 11.798 ( -1.047 -0.793 3.028) 3.300 11.818 ( -0.236 0.242 0.431) 0.548 11.857 ( -2.598 -1.688 0.484) 3.136 11.872 ( 2.041 -2.553 -0.451) 3.299 11.939 ( -0.784 0.822 0.707) 1.339 11.976 ( 1.745 0.935 -2.921) 3.529 12.090 ( 0.641 -0.538 0.532) 0.991 12.137 ( 1.661 0.165 -3.327) 3.722 12.485 ( 1.049 0.315 4.129) 4.271 12.563 ( -1.889 -1.589 -3.258) 4.088 12.717 ( 0.550 0.324 0.249) 0.686 12.725 ( -0.632 0.263 -0.408) 0.797 12.816 ( 0.037 -0.119 0.169) 0.210 12.824 ( -0.400 -0.182 -0.525) 0.685 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -6.981 -0.407 1.731) 7.204 0.549 ( -3.488 0.020 0.599) 3.539 0.575 ( 3.624 -1.945 -2.352) 4.738 0.636 ( 1.951 -1.318 -0.502) 2.407 0.661 ( -1.053 0.034 -1.871) 2.147 0.710 ( -0.876 -1.038 -0.570) 1.473 0.750 ( 3.023 1.597 0.867) 3.527 0.768 ( 1.323 1.207 0.888) 1.999 0.817 ( -2.865 4.243 -0.032) 5.119 0.879 ( 0.330 2.919 0.687) 3.017 0.883 ( -1.236 1.688 1.729) 2.714 0.895 ( -0.050 0.796 0.306) 0.855 0.965 ( -1.713 2.037 -0.807) 2.781 1.005 ( -1.516 -0.854 1.143) 2.082 1.016 ( -0.116 -1.171 1.755) 2.113 1.046 ( 0.650 -1.252 -0.917) 1.682 1.105 ( -1.742 0.234 0.566) 1.847 1.119 ( -1.090 0.208 0.330) 1.158 1.175 ( -0.546 0.707 -2.461) 2.618 1.204 ( -0.971 0.087 -1.589) 1.864 1.212 ( -4.319 1.870 2.834) 5.493 1.239 ( -3.942 2.932 1.858) 5.252 1.265 ( -0.813 -1.056 -2.639) 2.956 1.294 ( -2.825 2.371 1.959) 4.176 1.344 ( 1.041 1.905 -1.493) 2.635 1.390 ( -0.987 -2.812 0.731) 3.068 1.396 ( -1.665 -0.116 2.443) 2.959 1.462 ( 1.993 1.560 -0.115) 2.534 1.555 ( -0.856 -0.455 -0.689) 1.189 1.567 ( -0.613 -0.374 0.047) 0.720 1.581 ( -0.661 -2.493 -0.770) 2.692 1.663 ( 1.206 -2.653 0.278) 2.928 1.696 ( -0.495 -2.234 -1.008) 2.500 1.745 ( 0.410 -2.279 -0.542) 2.379 1.832 ( 0.268 1.250 0.469) 1.362 1.868 ( 1.282 -0.185 0.801) 1.523 1.945 ( -2.932 -4.009 -1.331) 5.142 1.950 ( -1.209 0.449 1.360) 1.874 1.999 ( 1.174 -2.555 -1.176) 3.048 2.020 ( 1.319 1.315 -1.422) 2.343 2.072 ( -2.444 2.047 -0.520) 3.230 2.180 ( 1.271 -0.464 2.998) 3.289 2.218 ( -1.372 2.900 0.391) 3.232 2.317 ( 3.222 -1.313 -1.916) 3.972 2.685 ( -2.711 -0.413 0.033) 2.742 2.767 ( -1.699 -2.670 0.226) 3.173 2.834 ( 4.026 0.841 0.555) 4.150 2.875 ( 3.126 -0.280 -0.342) 3.157 3.355 ( -0.193 1.126 0.099) 1.147 3.380 ( 1.275 0.844 -0.088) 1.532 3.461 ( -0.691 -1.915 0.517) 2.100 3.484 ( 0.799 -0.732 -0.765) 1.326 3.678 ( -2.540 -0.002 -0.537) 2.596 3.717 ( 0.076 -0.975 -1.748) 2.003 3.782 ( -0.751 2.106 0.780) 2.368 3.829 ( 1.529 0.771 0.881) 1.925 4.350 ( -0.238 0.513 0.203) 0.601 4.370 ( 0.907 0.611 -0.396) 1.163 4.383 ( -2.481 -0.437 -1.004) 2.712 4.403 ( -2.756 0.257 1.864) 3.337 4.490 ( 1.316 -2.558 0.157) 2.881 4.499 ( 3.694 -2.148 0.876) 4.362 4.575 ( 0.574 0.640 0.413) 0.954 4.620 ( 2.410 -0.810 -2.516) 3.577 5.405 ( -0.973 -3.674 0.623) 3.852 5.434 ( 0.865 -3.569 -0.431) 3.698 5.560 ( -3.043 -0.610 -1.589) 3.486 5.615 ( -0.755 -3.292 2.049) 3.950 5.836 ( -3.018 3.013 4.830) 6.443 5.874 ( -3.261 1.298 4.550) 5.747 5.943 ( 4.786 2.231 -6.192) 8.138 5.980 ( 4.375 1.062 -6.760) 8.122 6.714 ( -4.581 2.291 5.727) 7.683 6.759 ( -4.272 1.930 6.521) 8.031 6.809 ( 2.212 2.291 -3.473) 4.712 6.856 ( 2.853 1.702 -3.865) 5.096 6.935 ( -0.447 -0.479 0.214) 0.689 6.971 ( -0.595 -0.875 0.015) 1.058 6.982 ( 2.584 -0.893 -1.948) 3.357 7.011 ( 1.707 -1.256 -0.372) 2.152 11.638 ( -1.308 1.427 -0.572) 2.019 11.677 ( 0.694 2.058 0.933) 2.364 11.802 ( -2.051 -1.071 2.219) 3.206 11.813 ( -1.040 0.715 0.475) 1.348 11.825 ( -1.787 -1.297 -0.938) 2.399 11.898 ( -0.527 -0.736 1.388) 1.657 11.927 ( 1.441 -0.362 -0.911) 1.743 12.005 ( 3.858 -0.001 -1.022) 3.991 12.099 ( 0.279 -0.290 -0.761) 0.861 12.124 ( 1.673 0.115 -2.391) 2.921 12.482 ( -2.755 0.015 -3.186) 4.212 12.550 ( -0.014 -2.212 4.180) 4.729 12.700 ( -0.975 0.660 0.079) 1.180 12.744 ( 1.194 -0.294 0.414) 1.297 12.811 ( -0.324 0.054 -0.008) 0.329 12.826 ( 0.317 -0.086 0.594) 0.679 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -6.730 -0.939 6.864) 9.658 0.490 ( -6.331 3.129 2.067) 7.359 0.587 ( 1.259 -1.357 -1.786) 2.572 0.626 ( -0.227 -0.091 -2.370) 2.382 0.649 ( -0.065 -2.757 -0.919) 2.907 0.724 ( 1.631 -1.232 0.652) 2.146 0.751 ( -2.465 2.978 1.722) 4.232 0.763 ( -2.797 0.436 -0.773) 2.934 0.819 ( 0.134 2.037 2.083) 2.916 0.855 ( -2.380 0.822 -1.146) 2.767 0.896 ( -3.122 5.436 2.077) 6.604 0.911 ( -0.644 0.682 1.541) 1.804 0.938 ( 1.535 2.045 2.100) 3.309 0.983 ( -1.473 1.131 -0.966) 2.093 1.000 ( -2.654 -1.897 0.334) 3.279 1.028 ( -1.693 1.742 0.665) 2.518 1.067 ( -1.040 1.603 -1.794) 2.621 1.088 ( -1.611 -1.723 -2.617) 3.523 1.133 ( -2.867 1.983 -0.463) 3.517 1.167 ( -0.349 -1.534 0.665) 1.708 1.179 ( -2.226 1.059 -0.337) 2.488 1.208 ( 0.124 -1.520 -2.819) 3.205 1.253 ( -1.805 3.517 2.642) 4.755 1.303 ( -1.915 2.226 5.493) 6.229 1.333 ( -0.144 2.277 -0.913) 2.458 1.373 ( -1.486 -3.001 0.568) 3.396 1.427 ( -1.046 -1.814 5.129) 5.540 1.500 ( -0.557 -0.719 3.022) 3.156 1.535 ( 1.628 1.711 -1.807) 2.974 1.558 ( -0.024 -2.738 -0.217) 2.747 1.570 ( -0.537 1.443 -0.158) 1.547 1.665 ( -2.532 -0.875 1.917) 3.294 1.699 ( 1.748 -2.720 -0.966) 3.375 1.743 ( 1.164 -1.997 -0.996) 2.517 1.829 ( -0.711 -0.345 -1.429) 1.633 1.871 ( -1.087 -1.508 -1.076) 2.147 1.894 ( -0.521 -2.679 -0.957) 2.892 1.944 ( -2.604 -1.530 0.215) 3.028 1.989 ( 1.351 -1.127 -0.412) 1.807 2.013 ( 0.275 -2.202 -0.965) 2.420 2.080 ( 0.890 2.210 1.143) 2.642 2.162 ( -2.900 1.367 0.653) 3.271 2.251 ( 1.119 1.788 1.207) 2.430 2.324 ( -0.390 -0.641 -0.767) 1.073 2.666 ( -1.632 -0.541 2.123) 2.731 2.751 ( -0.877 -2.902 1.500) 3.382 2.883 ( 2.076 0.913 -1.192) 2.562 2.928 ( 3.566 0.736 -0.211) 3.647 3.363 ( 0.324 1.093 0.742) 1.360 3.403 ( 1.658 0.935 -0.230) 1.917 3.461 ( 0.238 -1.877 0.250) 1.908 3.490 ( 0.278 -0.732 0.526) 0.943 3.617 ( -3.113 1.575 -0.969) 3.620 3.709 ( 0.777 -0.786 -0.304) 1.147 3.790 ( -0.481 1.093 1.372) 1.819 3.845 ( -0.164 0.082 -0.193) 0.266 4.332 ( -1.080 -0.079 -0.732) 1.307 4.357 ( -1.029 0.471 -0.055) 1.133 4.376 ( 0.774 0.963 -0.223) 1.256 4.390 ( -0.510 0.544 0.401) 0.847 4.496 ( -1.339 -3.075 0.621) 3.411 4.554 ( 2.383 -3.380 -0.499) 4.166 4.589 ( 3.411 0.649 -3.013) 4.597 4.621 ( 2.358 -0.444 -3.461) 4.211 5.396 ( -0.818 -3.949 0.218) 4.039 5.431 ( -0.349 -3.974 -0.958) 4.103 5.501 ( -1.932 -0.009 -1.103) 2.225 5.608 ( -2.654 -4.384 1.259) 5.277 5.847 ( -3.230 2.554 4.911) 6.409 5.874 ( -3.380 1.483 4.031) 5.466 5.946 ( 4.794 2.327 -5.885) 7.939 5.967 ( 4.492 1.514 -6.594) 8.121 6.710 ( -4.623 2.275 5.535) 7.562 6.772 ( -4.353 2.185 6.397) 8.040 6.801 ( 2.308 2.223 -3.539) 4.774 6.860 ( 3.450 1.568 -3.564) 5.202 6.935 ( 0.167 -0.263 0.256) 0.403 6.971 ( 0.067 -0.496 0.666) 0.833 6.996 ( 2.075 -1.074 -1.946) 3.041 7.034 ( 1.804 -1.148 -0.340) 2.165 11.618 ( -0.275 1.368 -0.313) 1.430 11.691 ( 0.275 1.933 0.152) 1.958 11.765 ( -2.136 0.135 -2.711) 3.454 11.794 ( -1.859 -1.512 1.422) 2.786 11.811 ( -0.402 0.752 1.608) 1.820 11.900 ( -1.640 0.781 2.402) 3.012 11.960 ( 1.588 0.155 0.653) 1.724 12.046 ( 4.177 0.755 -3.896) 5.762 12.098 ( 2.091 -0.911 -0.630) 2.366 12.133 ( 1.359 -0.996 -0.167) 1.693 12.402 ( -3.093 0.850 -2.345) 3.974 12.546 ( -4.186 -3.450 -0.249) 5.430 12.716 ( 1.049 -0.548 2.002) 2.326 12.764 ( 0.218 -0.793 0.885) 1.208 12.814 ( 0.616 0.249 0.223) 0.701 12.842 ( 0.256 -0.574 1.226) 1.378 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( -4.614 0.801 7.280) 8.656 0.398 ( -7.482 5.447 5.462) 10.746 0.563 ( -0.420 -1.538 -3.141) 3.523 0.590 ( -0.726 1.336 -2.165) 2.646 0.639 ( -0.588 -3.216 0.427) 3.297 0.696 ( -2.031 0.381 1.638) 2.637 0.734 ( -0.998 0.559 0.156) 1.155 0.779 ( 0.505 0.586 1.637) 1.811 0.821 ( -0.673 0.283 -0.180) 0.752 0.834 ( -0.641 -0.781 0.207) 1.031 0.870 ( -2.616 -0.603 -1.467) 3.059 0.899 ( -4.076 -0.526 0.404) 4.129 0.935 ( -1.017 1.107 0.475) 1.577 0.971 ( -1.604 3.345 2.678) 4.575 0.994 ( -0.132 2.006 -0.720) 2.135 1.005 ( 0.306 1.766 -0.605) 1.891 1.033 ( -0.794 0.964 -1.254) 1.770 1.049 ( 1.586 0.858 -0.250) 1.820 1.093 ( -2.715 0.585 1.257) 3.048 1.100 ( -3.555 -0.364 -1.783) 3.994 1.168 ( -0.395 -0.226 -3.260) 3.292 1.213 ( 0.888 1.401 1.715) 2.386 1.260 ( -0.088 2.529 0.964) 2.707 1.301 ( -0.961 4.957 -2.147) 5.487 1.348 ( -1.975 2.729 6.138) 7.002 1.390 ( 1.875 -2.745 1.976) 3.867 1.471 ( -1.197 -2.404 4.306) 5.075 1.502 ( -0.460 -0.021 0.449) 0.643 1.545 ( 1.020 1.420 -1.817) 2.522 1.574 ( 0.918 -1.507 2.078) 2.727 1.593 ( 2.173 0.526 1.152) 2.515 1.654 ( -1.906 -2.000 2.906) 4.010 1.709 ( 1.492 -2.920 -2.529) 4.142 1.754 ( 0.593 -1.706 0.012) 1.806 1.769 ( -2.477 -0.786 -1.368) 2.937 1.863 ( 1.058 1.761 -0.555) 2.128 1.865 ( -1.064 -3.608 -1.650) 4.107 1.913 ( -1.064 -0.631 0.155) 1.247 1.967 ( -1.604 -0.747 -1.185) 2.129 2.040 ( 0.740 -3.104 -0.582) 3.244 2.097 ( -0.269 1.131 2.614) 2.861 2.154 ( 0.340 1.190 1.231) 1.746 2.260 ( -1.155 1.512 0.949) 2.126 2.296 ( -2.137 0.234 0.077) 2.151 2.684 ( -0.785 -0.204 4.038) 4.119 2.773 ( -0.212 -2.940 2.585) 3.920 2.892 ( 1.456 1.675 -1.409) 2.628 2.958 ( 1.482 0.848 -1.597) 2.338 3.376 ( 0.190 0.785 0.774) 1.119 3.420 ( 1.262 0.532 -1.211) 1.829 3.467 ( -0.057 -2.063 0.211) 2.075 3.497 ( -0.618 -1.318 -0.157) 1.464 3.592 ( 0.193 2.487 2.208) 3.331 3.733 ( 1.206 -1.239 1.275) 2.148 3.778 ( -1.977 1.366 -0.443) 2.444 3.836 ( -0.057 0.009 -0.312) 0.318 4.320 ( 0.238 0.113 -0.190) 0.325 4.330 ( -1.630 0.375 -0.083) 1.675 4.385 ( 0.595 0.251 -0.946) 1.145 4.405 ( 1.197 0.535 1.503) 1.995 4.460 ( -3.471 -2.249 0.117) 4.138 4.559 ( 2.199 -2.517 -4.007) 5.218 4.605 ( 1.585 -0.497 -1.962) 2.570 4.614 ( 2.269 -0.621 -3.050) 3.852 5.386 ( -1.071 -3.608 0.795) 3.847 5.414 ( -0.087 -3.662 -0.434) 3.689 5.472 ( -0.478 -0.932 -0.666) 1.241 5.563 ( -3.401 -4.070 -0.468) 5.324 5.850 ( -3.686 1.976 4.482) 6.130 5.868 ( -3.365 1.837 3.759) 5.369 5.950 ( 4.747 2.244 -5.849) 7.860 5.963 ( 4.794 1.749 -6.093) 7.947 6.705 ( -4.482 2.137 5.599) 7.484 6.771 ( -4.615 2.199 5.250) 7.328 6.801 ( 2.493 1.958 -2.917) 4.307 6.875 ( 4.169 1.181 -4.302) 6.106 6.945 ( 0.320 -0.152 0.512) 0.623 6.987 ( 0.180 -0.452 1.220) 1.314 6.997 ( 1.090 -0.916 -1.672) 2.196 7.056 ( 1.483 -1.168 -0.817) 2.057 11.624 ( 0.545 1.249 0.635) 1.504 11.687 ( -0.624 2.121 -0.710) 2.322 11.726 ( 0.877 -0.295 -0.875) 1.273 11.776 ( -2.051 -1.891 0.659) 2.867 11.844 ( 1.707 1.455 2.103) 3.074 11.900 ( -2.370 1.505 2.600) 3.826 11.976 ( -1.055 1.858 1.219) 2.459 12.044 ( 3.526 0.678 -5.263) 6.371 12.157 ( 5.064 -1.066 -0.017) 5.175 12.169 ( 2.727 -1.404 0.729) 3.152 12.326 ( -3.256 0.823 -1.806) 3.814 12.429 ( -8.163 -2.102 -1.639) 8.587 12.748 ( 0.642 -1.782 0.692) 2.016 12.771 ( -0.523 -1.375 0.625) 1.598 12.835 ( 1.193 0.176 0.404) 1.272 12.858 ( -0.328 -1.167 1.061) 1.610 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 2.537 1.960 1.966) 3.761 0.473 ( 2.031 -2.986 -2.919) 4.644 0.520 ( -0.838 4.604 4.084) 6.211 0.591 ( -1.202 -1.291 -0.463) 1.823 0.599 ( 0.752 0.854 -0.846) 1.418 0.639 ( 0.856 -2.094 -2.456) 3.339 0.721 ( 0.830 0.518 0.230) 1.005 0.751 ( -0.079 -2.382 -2.050) 3.144 0.789 ( -1.159 0.309 0.186) 1.214 0.796 ( 0.077 -0.237 -0.477) 0.538 0.837 ( 1.114 0.091 0.038) 1.118 0.846 ( -0.362 -0.864 -0.670) 1.152 0.983 ( -0.330 2.117 0.991) 2.360 0.994 ( -0.894 1.229 0.085) 1.522 1.022 ( -0.162 0.358 0.222) 0.451 1.032 ( -0.780 -0.404 -0.665) 1.102 1.039 ( 0.740 0.519 -0.363) 0.974 1.052 ( -1.129 1.532 -0.957) 2.130 1.057 ( -0.356 -1.202 1.456) 1.921 1.095 ( -0.144 -2.409 -1.841) 3.035 1.232 ( 0.972 6.093 3.138) 6.922 1.275 ( 0.066 3.155 -0.419) 3.183 1.308 ( -0.495 -0.022 0.104) 0.506 1.326 ( -0.379 0.426 -1.684) 1.778 1.439 ( 0.068 1.827 2.459) 3.064 1.450 ( 1.514 1.981 1.477) 2.898 1.485 ( -1.961 1.827 6.687) 7.204 1.526 ( 0.499 0.499 2.107) 2.222 1.549 ( -0.237 -0.794 -0.518) 0.978 1.572 ( -1.051 -2.976 2.567) 4.068 1.615 ( 2.784 1.077 -3.664) 4.726 1.639 ( 1.586 -0.813 -1.160) 2.127 1.689 ( 0.646 -0.118 0.825) 1.055 1.720 ( 0.239 -1.484 -1.045) 1.830 1.730 ( 0.254 -2.017 -0.273) 2.052 1.759 ( 0.327 -3.100 -1.952) 3.678 1.905 ( -0.810 0.505 0.408) 1.038 1.910 ( -1.838 0.561 0.408) 1.964 1.945 ( 2.060 1.275 0.522) 2.478 1.980 ( 0.561 -1.491 -2.186) 2.705 2.123 ( 0.050 -0.315 2.244) 2.266 2.146 ( -0.857 -2.220 0.062) 2.381 2.280 ( -1.031 1.326 1.290) 2.117 2.289 ( -0.222 0.567 0.339) 0.697 2.727 ( 0.012 0.054 3.025) 3.025 2.743 ( -0.555 -1.547 1.609) 2.300 2.939 ( 0.575 1.316 -0.269) 1.461 2.952 ( -0.115 -0.015 -1.438) 1.442 3.396 ( -1.508 0.683 1.525) 2.251 3.420 ( -1.874 -1.793 1.621) 3.058 3.431 ( 1.525 1.221 -2.041) 2.825 3.458 ( 1.830 -1.522 -2.173) 3.223 3.704 ( 2.095 2.503 3.040) 4.461 3.747 ( 1.357 -1.516 2.036) 2.878 3.763 ( -1.769 1.697 -1.731) 3.001 3.799 ( -1.216 -1.577 -2.133) 2.918 4.319 ( -1.680 1.153 1.165) 2.347 4.339 ( 0.396 0.037 0.273) 0.482 4.368 ( -1.565 -0.739 0.451) 1.788 4.383 ( 0.278 -1.275 -0.255) 1.330 4.461 ( 0.555 1.471 0.210) 1.586 4.496 ( 0.936 -1.953 -2.652) 3.424 4.581 ( 0.006 -0.309 -1.613) 1.643 4.588 ( 0.394 -0.959 -2.172) 2.407 5.335 ( -0.492 -1.276 0.782) 1.575 5.347 ( 0.279 -2.495 -0.350) 2.535 5.446 ( 0.484 -0.777 0.152) 0.928 5.455 ( -0.707 -1.706 -0.653) 1.958 5.880 ( -3.356 1.522 3.684) 5.211 5.890 ( -2.894 0.610 3.289) 4.423 5.989 ( 4.240 1.169 -5.112) 6.743 5.995 ( 4.335 0.621 -5.099) 6.721 6.752 ( -4.371 2.524 5.432) 7.415 6.784 ( -4.729 -0.252 5.460) 7.228 6.847 ( 2.602 2.505 -3.367) 4.938 6.887 ( 3.304 -1.107 -4.023) 5.322 6.962 ( 0.282 0.755 -0.386) 0.894 6.969 ( 0.504 -0.345 -1.039) 1.205 7.006 ( 0.016 0.119 1.091) 1.098 7.028 ( 0.509 -1.638 -0.979) 1.975 11.671 ( -0.617 1.557 1.439) 2.208 11.692 ( -0.269 0.005 -0.219) 0.348 11.720 ( -0.842 -0.248 -0.071) 0.881 11.731 ( 1.408 -0.842 -0.746) 1.803 11.904 ( -2.313 0.529 2.714) 3.605 11.907 ( -1.884 0.117 2.455) 3.096 12.027 ( 0.929 2.389 -1.543) 2.992 12.050 ( 2.337 0.093 -3.264) 4.015 12.199 ( 1.575 -0.869 0.272) 1.820 12.207 ( 2.737 -1.389 -0.495) 3.109 12.283 ( -2.977 0.302 -0.555) 3.043 12.284 ( 0.113 0.211 -0.625) 0.670 12.735 ( -0.018 -0.796 0.590) 0.991 12.736 ( -0.529 -0.971 0.510) 1.218 12.850 ( -0.277 -0.086 0.383) 0.480 12.851 ( 0.172 -0.164 0.298) 0.381 ======================= Grid point 102 (57/63) ======================= q-point: ( 0.12 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( 3.030 0.346 -4.002) 5.032 0.481 ( 3.596 -1.613 -1.723) 4.301 0.551 ( 0.558 1.705 0.483) 1.858 0.585 ( 0.388 -1.458 0.629) 1.634 0.629 ( 4.564 3.101 -1.333) 5.676 0.672 ( 2.429 -1.714 0.152) 2.977 0.727 ( 0.040 0.288 -0.548) 0.621 0.757 ( 1.680 -2.407 -0.429) 2.966 0.803 ( 2.383 -0.061 0.900) 2.548 0.820 ( 2.959 -1.477 0.399) 3.331 0.850 ( 3.037 1.184 -0.068) 3.260 0.871 ( 2.794 -0.705 -0.062) 2.882 0.976 ( -0.779 2.384 0.504) 2.558 0.989 ( -1.485 0.911 0.927) 1.974 1.008 ( -1.040 0.408 0.331) 1.165 1.021 ( -1.008 -0.352 1.036) 1.487 1.037 ( -1.265 0.960 1.069) 1.914 1.060 ( 1.028 -0.418 -0.423) 1.188 1.078 ( 0.925 -0.875 1.825) 2.225 1.088 ( 1.408 -1.145 -0.757) 1.966 1.233 ( 0.196 4.012 -1.205) 4.194 1.277 ( -0.777 -0.115 -0.608) 0.993 1.321 ( 2.346 3.699 0.899) 4.472 1.343 ( 2.169 1.915 0.015) 2.893 1.435 ( -0.931 2.567 -1.145) 2.961 1.468 ( 0.812 -0.674 -1.315) 1.686 1.530 ( -1.826 2.248 4.763) 5.575 1.531 ( -0.256 1.243 -1.026) 1.632 1.547 ( -0.063 0.574 -0.079) 0.582 1.577 ( 0.201 -0.475 -1.125) 1.238 1.599 ( 1.929 -0.613 -3.831) 4.332 1.634 ( 1.117 -2.561 -2.604) 3.820 1.693 ( 0.172 0.418 -0.569) 0.726 1.727 ( 1.178 -1.605 0.199) 2.001 1.742 ( 1.209 -2.006 -1.210) 2.636 1.759 ( 1.614 -3.091 -0.104) 3.489 1.875 ( -2.649 2.182 1.722) 3.840 1.909 ( -1.311 -0.513 1.109) 1.792 1.944 ( -0.078 -0.169 -1.263) 1.276 1.972 ( 0.053 -2.302 -0.889) 2.468 2.150 ( 2.092 0.767 0.065) 2.229 2.175 ( 2.456 -1.429 0.237) 2.851 2.285 ( -0.371 1.318 1.386) 1.948 2.298 ( 0.663 0.124 0.158) 0.693 2.742 ( -0.131 -0.111 -0.764) 0.783 2.755 ( 0.465 -1.435 0.433) 1.570 2.919 ( -2.001 1.351 -0.715) 2.518 2.934 ( -1.373 -0.086 0.498) 1.463 3.388 ( -1.491 0.674 1.483) 2.208 3.410 ( -1.437 -1.373 1.330) 2.392 3.440 ( 1.617 1.059 -1.158) 2.253 3.470 ( 2.242 -1.844 -1.556) 3.294 3.696 ( -1.639 2.344 -2.569) 3.845 3.738 ( -1.692 -1.774 -2.013) 3.172 3.780 ( 2.206 1.412 1.947) 3.264 3.805 ( 1.348 -0.930 1.695) 2.357 4.313 ( -1.276 1.087 1.701) 2.388 4.339 ( -1.118 -1.110 1.052) 1.894 4.366 ( 0.816 1.469 0.497) 1.752 4.404 ( 1.164 -2.188 1.239) 2.771 4.461 ( -1.158 -0.038 0.414) 1.230 4.462 ( -0.536 -0.198 -2.819) 2.876 4.560 ( -1.508 -0.376 0.367) 1.597 4.569 ( -0.923 -1.163 -0.176) 1.496 5.333 ( -0.642 -1.355 0.549) 1.596 5.345 ( 0.057 -2.531 -0.180) 2.538 5.459 ( 1.695 -0.014 -0.261) 1.715 5.482 ( 2.950 -2.370 0.609) 3.833 5.872 ( -3.349 1.754 3.863) 5.405 5.885 ( -2.938 0.586 3.518) 4.621 5.994 ( 4.332 1.156 -5.187) 6.856 6.002 ( 4.424 0.441 -5.193) 6.836 6.750 ( -4.380 2.337 5.484) 7.397 6.778 ( -4.746 -0.170 5.793) 7.491 6.847 ( 2.471 2.694 -3.117) 4.804 6.891 ( 3.262 -1.284 -3.709) 5.104 6.953 ( -0.481 0.619 -0.434) 0.896 6.967 ( 0.329 -0.316 -0.622) 0.771 7.008 ( -0.568 -0.235 -0.180) 0.641 7.020 ( -0.002 -1.085 -0.721) 1.303 11.660 ( -1.493 1.413 0.257) 2.072 11.686 ( -1.113 -1.122 0.493) 1.656 11.718 ( 0.682 2.010 0.406) 2.161 11.756 ( 1.961 -1.683 -0.328) 2.605 11.879 ( -3.273 1.575 1.527) 3.940 11.907 ( -2.786 -1.247 2.690) 4.069 12.018 ( -0.308 2.189 -0.497) 2.266 12.049 ( 1.500 -0.427 -2.015) 2.548 12.148 ( -2.974 0.334 -1.944) 3.569 12.174 ( -1.588 -1.543 -2.543) 3.371 12.325 ( 4.604 2.261 1.101) 5.246 12.369 ( 6.603 -2.118 0.694) 6.969 12.733 ( -0.225 -0.229 0.229) 0.394 12.745 ( 0.412 -1.310 0.358) 1.419 12.843 ( -0.856 0.306 0.009) 0.909 12.851 ( -0.419 -0.573 -0.002) 0.710 ======================= Grid point 103 (58/63) ======================= q-point: ( 0.25 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 3.062 1.545 -5.080) 6.129 0.507 ( 2.442 -3.900 -2.457) 5.216 0.579 ( 2.395 1.454 0.407) 2.831 0.610 ( 1.960 -1.658 -0.301) 2.584 0.652 ( 1.109 4.013 -2.212) 4.715 0.716 ( -0.961 -0.150 -0.192) 0.992 0.726 ( 2.447 -1.138 1.468) 3.072 0.757 ( 0.170 -3.373 -0.807) 3.473 0.861 ( 3.554 1.329 0.349) 3.811 0.870 ( 2.711 0.867 0.029) 2.846 0.916 ( 1.340 0.341 0.166) 1.392 0.930 ( 2.555 -1.058 0.798) 2.878 0.969 ( -0.574 1.334 0.904) 1.710 0.990 ( 0.801 -0.559 1.320) 1.642 1.007 ( -0.273 1.660 0.904) 1.910 1.028 ( -0.182 0.338 2.204) 2.237 1.039 ( -0.233 -0.455 0.503) 0.718 1.062 ( -0.822 -1.919 2.058) 2.932 1.115 ( 0.973 0.701 1.151) 1.663 1.121 ( 2.999 0.253 0.142) 3.013 1.232 ( 1.804 2.510 -2.052) 3.710 1.277 ( 2.259 -0.150 -1.121) 2.527 1.332 ( 0.777 3.242 -1.822) 3.799 1.381 ( 2.192 0.581 -1.635) 2.796 1.404 ( -0.599 3.616 -0.828) 3.758 1.466 ( 1.821 -1.563 -2.191) 3.249 1.512 ( -1.049 1.512 -1.496) 2.372 1.520 ( 1.076 2.104 -2.469) 3.418 1.549 ( -1.279 0.141 0.946) 1.597 1.557 ( 1.616 2.116 -3.969) 4.779 1.591 ( 1.639 -1.877 -2.917) 3.837 1.618 ( 1.119 -2.794 -2.569) 3.958 1.697 ( 1.092 0.405 -0.533) 1.281 1.725 ( -0.192 -1.770 -1.048) 2.066 1.770 ( 2.356 -0.295 0.834) 2.517 1.797 ( 2.894 -3.256 0.989) 4.467 1.865 ( -1.773 1.517 1.845) 2.975 1.897 ( -2.013 -1.391 1.775) 3.023 1.951 ( 0.895 -1.623 0.184) 1.862 1.955 ( -0.020 -2.150 -0.348) 2.178 2.167 ( 0.854 2.638 -1.809) 3.311 2.206 ( 2.549 -0.717 -1.489) 3.038 2.289 ( -1.071 1.404 0.764) 1.924 2.313 ( -0.104 -0.531 1.105) 1.230 2.722 ( 0.502 0.468 -2.605) 2.693 2.747 ( 0.312 -1.996 -2.365) 3.110 2.884 ( -2.487 1.685 0.844) 3.120 2.911 ( -2.691 -0.915 0.933) 2.991 3.387 ( -1.021 0.923 1.382) 1.950 3.408 ( -0.756 -0.972 1.196) 1.716 3.442 ( 0.456 1.170 -1.449) 1.918 3.480 ( 1.243 -2.351 -1.776) 3.198 3.657 ( 0.300 2.072 -1.365) 2.499 3.695 ( -0.786 -1.706 -1.304) 2.287 3.821 ( 0.794 1.068 0.451) 1.405 3.836 ( 0.751 -0.398 0.740) 1.127 4.323 ( 0.045 1.086 1.598) 1.933 4.345 ( -0.204 -0.693 1.580) 1.737 4.390 ( -0.076 1.869 1.585) 2.451 4.416 ( -1.465 0.303 -0.177) 1.507 4.442 ( -1.708 -1.133 1.001) 2.281 4.446 ( 1.674 -2.936 -0.216) 3.387 4.547 ( -2.152 -0.253 2.221) 3.103 4.551 ( -1.916 -0.560 1.131) 2.294 5.336 ( 0.084 -1.307 0.722) 1.496 5.349 ( 0.257 -2.589 0.363) 2.627 5.492 ( 2.285 1.230 0.266) 2.609 5.538 ( 3.092 -3.453 0.218) 4.640 5.869 ( -3.161 1.882 4.097) 5.506 5.883 ( -2.930 0.584 3.779) 4.817 5.997 ( 4.185 1.126 -5.471) 6.980 6.006 ( 4.289 0.275 -5.447) 6.938 6.749 ( -4.157 2.238 5.549) 7.285 6.775 ( -4.618 -0.084 5.892) 7.487 6.851 ( 2.466 2.784 -2.544) 4.506 6.898 ( 3.036 -1.448 -3.337) 4.738 6.940 ( -0.466 1.040 -0.469) 1.232 6.962 ( 0.079 -0.681 -0.723) 0.996 6.989 ( -0.334 -0.018 -1.467) 1.505 7.005 ( -1.025 -1.257 -0.470) 1.689 11.644 ( -0.648 1.909 0.435) 2.062 11.679 ( -0.461 -1.452 0.905) 1.772 11.740 ( 0.262 2.203 1.729) 2.812 11.780 ( 1.246 -1.864 0.090) 2.245 11.846 ( -2.237 1.667 0.538) 2.842 11.885 ( -3.236 -2.096 1.820) 4.264 12.009 ( -1.418 1.807 0.852) 2.450 12.043 ( 0.278 -0.729 -1.684) 1.856 12.090 ( -0.560 1.494 -2.365) 2.853 12.133 ( 0.921 -1.929 -3.092) 3.759 12.407 ( 3.723 3.146 1.005) 4.976 12.472 ( 4.963 -3.414 0.475) 6.042 12.732 ( -0.035 0.543 -0.126) 0.558 12.753 ( 0.112 -1.321 -0.026) 1.326 12.827 ( -0.876 0.515 -0.212) 1.038 12.840 ( -0.738 -0.853 -0.233) 1.152 ======================= Grid point 104 (59/63) ======================= q-point: ( 0.38 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 4.071 1.379 -3.792) 5.731 0.508 ( 1.630 -4.026 -2.074) 4.814 0.599 ( -0.779 1.263 -3.611) 3.904 0.617 ( 0.395 -0.901 -0.255) 1.016 0.651 ( 1.246 2.778 0.530) 3.091 0.692 ( 0.634 -0.804 -0.852) 1.332 0.761 ( 0.142 -0.720 0.426) 0.849 0.767 ( 0.993 -1.287 0.479) 1.695 0.879 ( -1.685 1.621 0.127) 2.342 0.899 ( 0.396 0.386 -0.069) 0.557 0.925 ( -0.351 0.527 0.685) 0.933 0.949 ( 0.420 -0.492 1.877) 1.985 0.979 ( -0.280 1.246 1.224) 1.769 1.012 ( 0.624 0.602 -1.763) 1.965 1.023 ( 1.110 -0.505 -0.339) 1.266 1.032 ( 0.481 -0.318 -1.133) 1.271 1.060 ( -0.371 0.663 3.100) 3.192 1.094 ( -0.573 -2.351 3.967) 4.647 1.142 ( 0.750 1.925 1.641) 2.639 1.168 ( 1.580 -0.497 0.388) 1.701 1.245 ( 2.173 3.021 -1.004) 3.854 1.306 ( 2.336 -1.594 -1.095) 3.033 1.319 ( 1.709 1.335 -3.797) 4.372 1.355 ( -0.274 0.175 -2.073) 2.098 1.412 ( 1.539 2.633 -1.332) 3.328 1.448 ( 0.758 3.822 -4.990) 6.331 1.491 ( 0.446 -2.742 0.480) 2.819 1.511 ( 0.477 2.669 -1.752) 3.229 1.530 ( 1.347 -0.470 -2.842) 3.180 1.544 ( 1.475 1.934 -2.301) 3.348 1.571 ( 0.219 -3.067 -2.293) 3.836 1.604 ( 0.770 -1.263 -2.251) 2.693 1.707 ( 0.885 -0.943 -0.732) 1.486 1.713 ( 0.633 -0.591 -1.573) 1.796 1.827 ( 2.109 -0.272 0.979) 2.341 1.843 ( 0.146 -1.442 1.576) 2.141 1.867 ( 0.123 0.081 1.363) 1.370 1.898 ( -0.158 -3.374 1.105) 3.554 1.959 ( -0.379 0.280 2.332) 2.379 1.978 ( 1.234 -2.022 0.423) 2.406 2.158 ( 1.288 3.169 -1.690) 3.815 2.208 ( 0.968 -1.842 -2.565) 3.303 2.273 ( -2.052 2.874 0.760) 3.612 2.307 ( -1.587 -0.624 0.261) 1.725 2.709 ( 1.900 0.596 -1.933) 2.775 2.735 ( 1.884 -2.023 -1.532) 3.160 2.848 ( -3.421 0.889 0.299) 3.547 2.866 ( -3.610 -0.770 -0.096) 3.692 3.383 ( -1.193 1.295 0.771) 1.922 3.412 ( -1.237 -1.703 1.138) 2.393 3.425 ( 0.881 2.075 -1.818) 2.896 3.470 ( 0.924 -2.367 -2.110) 3.303 3.669 ( 1.218 0.595 0.550) 1.463 3.683 ( 0.119 -0.786 0.080) 0.799 3.827 ( 0.333 1.334 -0.366) 1.423 3.846 ( 0.131 -0.411 -0.229) 0.488 4.348 ( 0.765 1.116 0.968) 1.664 4.365 ( 0.635 -0.290 0.846) 1.097 4.390 ( -0.877 1.254 0.965) 1.809 4.406 ( -1.849 -0.508 2.369) 3.048 4.433 ( -0.456 -0.556 0.285) 0.774 4.454 ( -0.861 -2.844 -0.335) 2.990 4.545 ( -1.342 0.339 2.836) 3.156 4.556 ( -0.387 -0.721 2.186) 2.334 5.350 ( 0.220 -1.461 0.840) 1.699 5.358 ( 0.017 -2.306 0.575) 2.377 5.533 ( 1.773 1.283 0.851) 2.348 5.577 ( 1.733 -3.229 -0.321) 3.679 5.872 ( -2.999 1.816 4.192) 5.465 5.884 ( -2.908 0.577 4.021) 4.996 5.992 ( 3.976 1.246 -5.821) 7.159 6.004 ( 4.181 0.014 -5.749) 7.108 6.754 ( -4.052 2.174 5.808) 7.408 6.776 ( -4.432 0.265 5.924) 7.403 6.860 ( 2.433 2.678 -2.478) 4.386 6.905 ( 3.043 -1.084 -3.782) 4.974 6.928 ( -0.449 1.054 -0.134) 1.154 6.954 ( 0.351 -0.502 -1.059) 1.224 6.967 ( 0.016 -0.567 -1.439) 1.546 6.981 ( -0.953 -1.417 -0.608) 1.813 11.654 ( 0.328 2.361 1.487) 2.810 11.693 ( 0.035 -1.043 1.484) 1.814 11.764 ( -0.766 1.352 2.425) 2.880 11.796 ( 0.415 -1.711 0.267) 1.781 11.828 ( -0.289 0.671 0.251) 0.772 11.857 ( -2.487 -2.007 1.337) 3.464 11.982 ( -1.784 1.563 -0.783) 2.498 12.012 ( -0.974 -1.068 -2.142) 2.585 12.082 ( 1.776 2.068 -1.018) 2.910 12.125 ( 2.136 -1.855 -2.501) 3.776 12.464 ( 1.997 2.869 1.000) 3.635 12.529 ( 1.999 -3.621 -0.497) 4.166 12.729 ( 0.050 0.964 -0.467) 1.072 12.745 ( -0.716 -0.604 -0.338) 0.996 12.815 ( -0.235 0.296 -0.097) 0.390 12.826 ( -0.555 -0.743 -0.186) 0.946 ======================= Grid point 105 (60/63) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 3.761 0.576 -2.063) 4.328 0.500 ( 0.602 0.617 -4.067) 4.157 0.542 ( -0.754 -1.266 0.198) 1.487 0.573 ( -0.858 -2.688 -2.976) 4.101 0.707 ( 2.109 1.959 1.946) 3.475 0.720 ( 0.790 0.186 0.795) 1.136 0.749 ( -0.270 0.683 -0.792) 1.080 0.766 ( -0.468 -0.712 -1.519) 1.742 0.871 ( -0.954 0.603 2.357) 2.613 0.889 ( -1.745 -1.055 1.221) 2.377 0.926 ( -0.449 2.328 0.591) 2.444 0.951 ( -0.829 0.475 -1.503) 1.781 0.993 ( -0.239 0.763 0.366) 0.879 1.002 ( 0.471 -0.005 0.539) 0.716 1.018 ( -0.300 0.271 -0.510) 0.651 1.026 ( 1.137 0.025 -2.384) 2.641 1.092 ( -1.062 0.867 4.131) 4.352 1.124 ( -1.392 -1.724 3.072) 3.788 1.173 ( -0.875 -0.107 0.354) 0.950 1.176 ( 0.452 0.023 1.642) 1.703 1.260 ( 1.007 1.540 -1.527) 2.391 1.283 ( -0.149 -1.145 -3.566) 3.748 1.320 ( -0.070 1.208 0.971) 1.552 1.350 ( 0.846 -2.187 -0.608) 2.422 1.391 ( -0.281 3.385 -3.273) 4.717 1.404 ( 0.846 2.675 -3.790) 4.716 1.491 ( -1.821 4.531 0.397) 4.900 1.509 ( 0.538 -1.558 -0.239) 1.665 1.525 ( 1.256 -2.304 -1.489) 3.017 1.537 ( 0.661 -0.157 -1.595) 1.734 1.554 ( -0.351 -1.047 -0.412) 1.179 1.589 ( 1.137 -1.202 -2.750) 3.210 1.700 ( -0.125 -0.711 -0.932) 1.179 1.705 ( 0.562 -1.035 -1.469) 1.883 1.847 ( 0.110 1.056 1.293) 1.673 1.853 ( -0.973 0.071 0.616) 1.154 1.892 ( -0.391 -2.697 0.527) 2.776 1.908 ( 1.954 -3.678 -0.580) 4.205 1.985 ( -1.257 0.690 2.710) 3.066 2.002 ( 1.222 -1.019 0.642) 1.716 2.167 ( 1.145 2.139 -0.617) 2.504 2.178 ( -1.439 0.671 -1.726) 2.345 2.257 ( -1.085 1.677 1.406) 2.442 2.283 ( -0.103 -0.807 -0.894) 1.209 2.737 ( 1.330 0.401 0.073) 1.391 2.747 ( -1.027 -0.368 -0.816) 1.362 2.802 ( -0.247 -0.486 -0.063) 0.549 2.811 ( -0.216 -1.125 -0.852) 1.428 3.374 ( -1.121 1.179 1.067) 1.946 3.396 ( -0.441 -0.283 -0.367) 0.639 3.433 ( 0.614 0.375 -0.018) 0.720 3.462 ( 1.314 -1.791 -2.154) 3.094 3.687 ( -0.203 -0.037 0.737) 0.765 3.696 ( 0.925 -0.841 -0.058) 1.252 3.830 ( 0.187 1.197 0.108) 1.216 3.837 ( -0.554 0.498 -0.529) 0.914 4.360 ( -0.363 0.915 0.608) 1.156 4.377 ( 0.836 -0.099 -1.009) 1.314 4.407 ( 0.098 -0.531 1.589) 1.678 4.409 ( -1.421 -0.808 2.300) 2.822 4.420 ( -1.169 -0.034 0.451) 1.253 4.437 ( 0.072 -1.323 -0.101) 1.329 4.567 ( 0.127 0.548 1.785) 1.872 4.581 ( 1.276 -1.004 0.459) 1.687 5.358 ( -0.597 -1.508 0.797) 1.807 5.364 ( 0.226 -2.083 0.231) 2.108 5.563 ( 0.191 0.055 1.166) 1.183 5.582 ( -0.383 -1.832 -0.666) 1.986 5.876 ( -2.883 1.744 4.151) 5.346 5.889 ( -2.881 0.433 4.167) 5.084 5.984 ( 4.122 1.401 -5.855) 7.296 5.999 ( 4.195 -0.108 -5.924) 7.260 6.761 ( -4.216 2.205 5.982) 7.643 6.780 ( -4.342 0.570 6.147) 7.548 6.864 ( 2.356 2.619 -3.110) 4.699 6.895 ( 2.365 0.493 -4.394) 5.015 6.929 ( -0.052 -0.118 0.713) 0.725 6.950 ( 1.352 -0.589 -1.596) 2.173 6.956 ( -0.213 -1.265 -0.250) 1.307 6.968 ( 0.843 -1.302 -1.203) 1.963 11.682 ( -0.073 2.247 2.023) 3.024 11.704 ( -0.245 0.919 0.388) 1.027 11.775 ( -1.347 -0.654 2.228) 2.685 11.800 ( 0.117 -2.192 -0.007) 2.195 11.841 ( 0.738 -0.045 0.627) 0.970 11.845 ( -0.778 -0.245 0.725) 1.092 11.952 ( -1.145 0.688 0.148) 1.344 11.971 ( -0.470 -1.094 -1.842) 2.194 12.101 ( 1.687 1.438 -0.849) 2.374 12.128 ( 2.207 -1.037 -2.994) 3.862 12.497 ( 0.297 1.047 1.487) 1.842 12.527 ( -0.622 -1.875 -1.290) 2.359 12.725 ( -0.279 0.403 0.014) 0.490 12.729 ( -0.352 0.060 -0.282) 0.455 12.815 ( -0.002 0.074 0.155) 0.172 12.819 ( -0.067 -0.287 -0.177) 0.344 ======================= Grid point 106 (61/63) ======================= q-point: (-0.38 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -2.025 4.665 -2.643) 5.731 0.514 ( 1.764 -4.040 -3.383) 5.557 0.548 ( 0.303 0.673 1.545) 1.712 0.586 ( 2.255 -2.993 1.629) 4.086 0.687 ( -1.502 2.027 -1.831) 3.117 0.706 ( -1.749 0.240 -1.817) 2.534 0.765 ( 1.423 -0.053 -0.081) 1.426 0.771 ( 0.991 -0.536 0.249) 1.154 0.877 ( -1.991 0.856 1.202) 2.479 0.883 ( -1.600 -0.263 1.594) 2.274 0.926 ( -0.248 2.017 0.418) 2.075 0.938 ( -0.021 1.429 2.371) 2.768 0.988 ( -0.980 0.343 0.606) 1.202 1.002 ( -0.702 1.336 -0.321) 1.543 1.015 ( 0.825 -1.717 -1.167) 2.235 1.018 ( 0.172 -0.175 -0.470) 0.530 1.108 ( -1.774 1.067 0.568) 2.147 1.130 ( -0.753 0.230 1.785) 1.951 1.165 ( -1.537 -1.084 1.036) 2.147 1.182 ( -0.964 -2.445 -0.746) 2.732 1.232 ( -1.702 1.906 -0.803) 2.679 1.253 ( -1.060 0.657 0.761) 1.461 1.318 ( -2.261 -0.507 -0.582) 2.389 1.327 ( -1.081 -0.849 -1.241) 1.852 1.363 ( -1.416 4.464 2.019) 5.100 1.392 ( 0.666 1.745 -0.755) 2.014 1.449 ( -3.948 5.595 1.580) 7.028 1.499 ( -1.008 1.362 -0.221) 1.709 1.518 ( -0.161 -1.690 -1.726) 2.421 1.543 ( 0.808 -3.427 0.398) 3.543 1.548 ( 0.560 -1.562 0.336) 1.693 1.583 ( 1.370 -2.737 -1.183) 3.281 1.690 ( -0.290 0.063 0.133) 0.325 1.703 ( 0.446 -1.432 -0.329) 1.536 1.836 ( -1.285 -0.375 0.164) 1.349 1.857 ( -1.626 -2.706 0.099) 3.158 1.880 ( 0.187 0.961 -0.294) 1.022 1.929 ( 2.222 -3.213 -1.461) 4.171 1.980 ( -1.445 1.559 0.508) 2.186 2.015 ( -0.086 -1.534 -1.960) 2.491 2.134 ( -2.011 2.856 0.669) 3.557 2.166 ( -1.454 -0.790 0.873) 1.871 2.270 ( 0.621 2.094 1.373) 2.580 2.298 ( 1.320 -0.912 0.465) 1.670 2.686 ( -3.059 0.724 0.121) 3.146 2.716 ( -2.925 -2.294 0.243) 3.726 2.848 ( 4.625 0.724 0.260) 4.689 2.864 ( 4.168 -0.844 0.030) 4.253 3.374 ( -0.803 1.142 1.426) 1.995 3.399 ( 0.361 -0.526 0.916) 1.116 3.434 ( 0.277 0.471 -0.864) 1.022 3.462 ( 1.578 -1.492 -1.642) 2.723 3.683 ( -0.771 0.549 -0.370) 1.017 3.698 ( 0.237 -0.962 -1.074) 1.461 3.818 ( -1.047 1.464 0.227) 1.814 3.835 ( -0.184 -0.244 0.604) 0.677 4.357 ( -0.830 0.273 0.059) 0.876 4.365 ( -0.526 -0.524 -0.387) 0.837 4.405 ( 0.045 1.892 0.007) 1.892 4.412 ( -1.166 0.854 1.428) 2.031 4.438 ( -0.413 -2.140 1.246) 2.510 4.454 ( 2.615 -2.442 -0.490) 3.611 4.587 ( 1.652 0.645 -0.866) 1.973 4.602 ( 2.143 -0.904 -1.632) 2.842 5.353 ( -0.834 -1.163 0.429) 1.494 5.367 ( 0.013 -2.517 -0.106) 2.519 5.550 ( -2.286 -0.103 -0.579) 2.361 5.565 ( -1.701 -1.736 0.782) 2.553 5.882 ( -2.769 1.577 4.128) 5.215 5.894 ( -2.794 0.365 3.953) 4.855 5.981 ( 4.322 1.400 -5.548) 7.171 5.993 ( 4.203 0.143 -5.793) 7.158 6.765 ( -4.406 2.426 5.717) 7.614 6.788 ( -4.263 0.387 6.270) 7.592 6.860 ( 2.228 2.389 -3.531) 4.810 6.882 ( 2.303 0.318 -3.663) 4.338 6.937 ( 0.574 1.120 0.006) 1.258 6.952 ( 0.129 -0.777 0.160) 0.804 6.960 ( 2.067 -1.040 -1.825) 2.946 6.977 ( 1.621 -2.055 -0.630) 2.693 11.677 ( -1.577 2.292 -0.016) 2.782 11.708 ( -0.239 0.085 0.142) 0.291 11.777 ( -0.953 -0.133 1.475) 1.761 11.801 ( -0.112 -1.601 -0.995) 1.888 11.833 ( -0.682 1.355 0.203) 1.530 11.864 ( 0.666 -1.837 0.843) 2.128 11.946 ( 0.252 1.725 1.358) 2.209 11.984 ( 1.811 -1.869 1.337) 2.926 12.106 ( 1.139 0.805 -2.231) 2.632 12.120 ( 1.802 -0.547 -3.309) 3.807 12.487 ( -2.294 0.548 -1.118) 2.610 12.508 ( -1.575 -1.746 1.588) 2.837 12.717 ( -0.629 0.981 0.505) 1.270 12.734 ( 0.153 -0.729 0.601) 0.957 12.815 ( 0.093 0.316 -0.036) 0.331 12.822 ( 0.358 -0.330 0.155) 0.511 ======================= Grid point 107 (62/63) ======================= q-point: (-0.25 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 101 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.378 ( -1.604 5.948 -0.081) 6.161 0.496 ( 0.580 -5.521 -2.316) 6.015 0.558 ( -2.879 2.435 2.115) 4.323 0.602 ( -1.515 -2.055 0.372) 2.580 0.653 ( 0.153 2.430 -1.355) 2.787 0.702 ( 2.260 -1.491 0.122) 2.710 0.759 ( -1.253 -0.228 -1.654) 2.087 0.766 ( -0.265 -0.510 -1.223) 1.351 0.852 ( -2.865 1.108 1.316) 3.342 0.864 ( -2.618 -0.115 0.723) 2.719 0.918 ( -2.168 0.930 0.210) 2.368 0.939 ( -3.750 -0.952 0.169) 3.872 0.978 ( -0.420 1.847 -0.410) 1.938 1.004 ( 1.712 1.812 0.960) 2.671 1.012 ( 0.185 -0.501 -0.203) 0.571 1.034 ( 1.215 -0.654 0.542) 1.482 1.073 ( -1.801 1.312 -1.098) 2.484 1.113 ( -1.374 0.777 -1.452) 2.144 1.133 ( -2.332 -2.046 -1.403) 3.405 1.139 ( -1.374 -0.638 -0.588) 1.625 1.200 ( -3.467 2.431 0.800) 4.309 1.260 ( -1.187 5.816 2.733) 6.535 1.269 ( -1.307 -3.710 0.545) 3.971 1.322 ( -1.573 -0.104 3.574) 3.906 1.375 ( -2.709 3.044 4.792) 6.290 1.391 ( -0.994 0.425 1.627) 1.954 1.437 ( -1.208 4.766 2.492) 5.512 1.489 ( -1.375 1.248 1.383) 2.315 1.505 ( 0.906 -1.756 -0.392) 2.014 1.558 ( 1.954 0.068 -0.708) 2.079 1.575 ( 1.114 -2.657 0.298) 2.896 1.598 ( 1.233 -4.324 -0.223) 4.502 1.686 ( -0.584 0.746 0.256) 0.981 1.710 ( 0.301 -1.600 0.437) 1.685 1.802 ( -1.969 -1.130 -1.652) 2.807 1.814 ( -2.658 -2.937 -0.504) 3.993 1.890 ( 1.294 2.240 -0.516) 2.638 1.939 ( 1.060 -0.006 -2.358) 2.585 1.955 ( -0.903 -2.520 0.012) 2.677 1.971 ( -0.800 -1.322 -1.930) 2.472 2.127 ( -0.996 2.419 1.726) 3.134 2.163 ( -1.962 -1.100 2.377) 3.272 2.292 ( 0.084 1.816 0.659) 1.934 2.314 ( -0.920 -0.573 1.189) 1.609 2.666 ( -1.337 0.692 2.168) 2.640 2.696 ( -1.068 -2.375 1.973) 3.268 2.904 ( 2.758 1.178 -0.820) 3.109 2.925 ( 3.411 -0.849 -0.355) 3.532 3.383 ( -0.503 1.290 1.600) 2.116 3.418 ( -0.568 -2.233 1.626) 2.820 3.434 ( 1.939 1.919 -1.482) 3.105 3.469 ( 1.416 -1.505 -1.250) 2.415 3.653 ( -1.397 1.933 -0.850) 2.532 3.687 ( 0.030 -1.500 -0.552) 1.599 3.815 ( -0.481 1.387 0.903) 1.724 3.838 ( -0.416 -0.840 0.433) 1.033 4.338 ( -0.788 0.816 -0.367) 1.193 4.356 ( -0.860 -0.597 0.020) 1.047 4.400 ( -1.273 0.844 0.826) 1.737 4.414 ( 0.119 1.644 -0.260) 1.669 4.441 ( -0.057 -1.397 0.099) 1.402 4.485 ( 2.409 -3.502 -1.293) 4.443 4.598 ( 2.665 0.439 -2.832) 3.913 4.609 ( 2.358 -0.636 -3.135) 3.974 5.343 ( -0.803 -1.093 0.099) 1.360 5.360 ( -0.443 -2.677 -0.523) 2.763 5.502 ( -2.586 0.607 -0.520) 2.707 5.535 ( -2.899 -2.857 0.543) 4.106 5.888 ( -2.840 1.400 3.914) 5.035 5.896 ( -2.698 0.495 3.534) 4.474 5.983 ( 4.210 1.252 -5.228) 6.828 5.990 ( 4.118 0.557 -5.504) 6.897 6.762 ( -4.369 2.656 5.208) 7.298 6.795 ( -4.325 -0.299 5.809) 7.249 6.851 ( 2.176 2.478 -3.391) 4.730 6.879 ( 2.714 -0.168 -3.359) 4.322 6.948 ( 1.295 1.525 -0.827) 2.166 6.963 ( 0.650 0.297 0.724) 1.017 6.970 ( 1.680 -1.409 -1.537) 2.678 7.000 ( 1.656 -2.243 -0.034) 2.788 11.655 ( -0.571 2.314 -0.301) 2.402 11.697 ( -0.475 -1.527 -0.397) 1.648 11.768 ( -1.683 0.105 -1.239) 2.093 11.771 ( -1.605 -0.465 0.610) 1.779 11.844 ( 0.930 2.424 1.199) 2.859 11.890 ( 0.349 -1.878 1.751) 2.591 11.989 ( 1.792 2.641 1.919) 3.723 12.039 ( 3.077 -1.871 0.477) 3.632 12.091 ( 1.883 0.524 -3.050) 3.623 12.110 ( 1.386 -1.202 -2.101) 2.789 12.428 ( -3.585 1.851 -0.938) 4.142 12.476 ( -4.245 -3.197 0.383) 5.328 12.720 ( -0.352 0.831 1.069) 1.399 12.742 ( -0.511 -1.305 0.947) 1.691 12.822 ( 0.664 0.507 0.203) 0.860 12.832 ( 0.461 -0.526 0.411) 0.811 ======================= Grid point 108 (63/63) ======================= q-point: (-0.12 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.67e-09 3.67e-09 3.67e-09 3.67e-09 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 8.58e-05 8.58e-05 8.58e-05 8.58e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -0.567 4.695 2.392) 5.299 0.478 ( 0.351 -5.258 -1.352) 5.441 0.518 ( -3.754 5.062 1.863) 6.571 0.589 ( -0.584 -2.249 0.246) 2.337 0.641 ( -0.635 2.933 -1.544) 3.375 0.691 ( -2.726 -1.061 -1.644) 3.355 0.730 ( -0.348 -0.264 -0.727) 0.848 0.754 ( 0.343 -2.418 0.154) 2.447 0.821 ( -1.649 -0.150 -0.521) 1.736 0.828 ( -2.184 -0.450 -0.379) 2.262 0.858 ( -4.466 0.253 -0.680) 4.524 0.872 ( -2.439 -0.665 -0.267) 2.542 0.974 ( 0.022 2.121 0.295) 2.142 1.004 ( 0.125 -0.721 -0.421) 0.844 1.032 ( -0.117 0.970 0.239) 1.006 1.036 ( -0.579 1.889 -1.119) 2.271 1.048 ( 0.320 0.090 -0.804) 0.870 1.072 ( -2.209 -1.436 -1.460) 3.012 1.090 ( -0.023 1.195 -1.321) 1.782 1.120 ( -0.819 -1.648 -0.852) 2.028 1.182 ( -0.686 5.585 2.668) 6.228 1.257 ( 0.318 0.110 1.580) 1.616 1.321 ( 0.558 2.254 2.498) 3.410 1.333 ( -1.470 -0.140 2.348) 2.773 1.396 ( -1.956 1.763 4.395) 5.123 1.409 ( 0.317 1.609 2.481) 2.975 1.448 ( -1.963 2.840 3.784) 5.122 1.494 ( -0.409 0.045 2.275) 2.312 1.533 ( 1.025 -0.813 1.398) 1.914 1.576 ( -0.869 -2.547 0.051) 2.692 1.592 ( 3.125 0.333 -0.707) 3.221 1.616 ( 1.674 -1.796 -0.472) 2.500 1.680 ( -0.355 0.639 0.185) 0.754 1.720 ( -0.204 -2.968 0.837) 3.090 1.752 ( -1.040 -0.114 -1.765) 2.052 1.778 ( -0.425 -2.923 -1.123) 3.160 1.903 ( 0.942 2.032 -0.752) 2.363 1.917 ( -0.479 1.209 0.435) 1.371 1.943 ( -0.484 -1.534 -1.378) 2.118 1.970 ( 1.996 -3.490 -0.567) 4.060 2.128 ( -2.454 1.704 1.830) 3.504 2.156 ( -1.440 -0.909 1.549) 2.302 2.289 ( -1.467 1.136 0.931) 2.076 2.299 ( -1.774 0.019 0.635) 1.884 2.689 ( -0.512 0.865 3.529) 3.669 2.720 ( -0.332 -2.308 2.926) 3.742 2.927 ( 1.773 1.807 -0.964) 2.709 2.956 ( 1.711 -1.017 -1.202) 2.325 3.393 ( -0.599 1.116 1.403) 1.890 3.424 ( -0.551 -1.898 0.963) 2.198 3.439 ( 0.911 1.173 -1.828) 2.355 3.468 ( 0.658 -1.573 -1.840) 2.509 3.647 ( 0.631 2.980 1.657) 3.467 3.699 ( 1.052 -2.250 1.429) 2.866 3.807 ( -1.340 1.482 -0.476) 2.054 3.830 ( -0.607 -0.766 -0.506) 1.100 4.329 ( 0.008 0.799 -0.147) 0.813 4.338 ( -1.279 0.186 0.245) 1.316 4.384 ( -0.925 -0.004 -0.207) 0.948 4.402 ( -2.237 -1.534 0.975) 2.882 4.446 ( 1.561 1.826 -0.959) 2.586 4.499 ( 2.165 -3.233 -2.231) 4.485 4.599 ( 1.633 -0.121 -3.134) 3.536 4.602 ( 1.927 -0.456 -3.102) 3.680 5.334 ( -0.472 -1.180 0.322) 1.311 5.348 ( -0.087 -2.445 -0.375) 2.475 5.460 ( -1.768 0.279 -0.340) 1.822 5.491 ( -2.713 -2.872 -0.168) 3.954 5.887 ( -3.132 1.370 3.686) 5.027 5.895 ( -2.744 0.609 3.250) 4.297 5.986 ( 4.106 1.172 -5.153) 6.692 5.990 ( 4.152 0.717 -5.190) 6.685 6.756 ( -4.280 2.695 5.154) 7.222 6.792 ( -4.606 -0.548 5.408) 7.125 6.847 ( 2.545 2.593 -3.426) 4.994 6.883 ( 3.142 -0.767 -3.677) 4.897 6.957 ( 1.107 1.100 -0.834) 1.769 6.973 ( 0.891 -0.993 -1.233) 1.816 6.986 ( 0.633 0.708 1.086) 1.443 7.023 ( 1.161 -2.170 -0.243) 2.474 11.656 ( 0.457 1.908 0.475) 2.018 11.693 ( 0.303 -1.573 -0.065) 1.603 11.732 ( -1.018 0.896 -0.792) 1.571 11.748 ( -1.917 -0.896 0.404) 2.154 11.880 ( 0.772 1.973 1.911) 2.853 11.910 ( -1.162 -0.756 2.281) 2.669 12.025 ( 0.964 2.838 -0.179) 3.003 12.056 ( 2.508 0.041 -3.867) 4.610 12.132 ( 4.861 -1.151 -0.371) 5.009 12.135 ( 3.335 -1.592 0.893) 3.802 12.350 ( -4.432 1.594 -1.169) 4.853 12.385 ( -6.374 -2.103 -0.761) 6.755 12.727 ( -0.232 -0.145 0.865) 0.907 12.741 ( -0.894 -1.357 0.790) 1.807 12.838 ( 0.735 0.243 0.443) 0.892 12.845 ( 0.252 -0.419 0.557) 0.741 =================== 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 3/19200 10.0 4.898 4.582 4.294 0.000 -0.274 0.000 3/19200 20.0 1.587 1.528 1.419 0.000 -0.109 0.000 3/19200 30.0 0.939 0.927 0.863 0.000 -0.070 0.000 3/19200 40.0 0.672 0.670 0.627 0.000 -0.053 0.000 3/19200 50.0 0.526 0.527 0.496 0.000 -0.044 0.000 3/19200 60.0 0.434 0.434 0.411 0.000 -0.039 0.000 3/19200 70.0 0.371 0.369 0.353 0.000 -0.035 0.000 3/19200 80.0 0.324 0.322 0.309 0.000 -0.032 0.000 3/19200 90.0 0.289 0.285 0.276 0.000 -0.030 0.000 3/19200 100.0 0.261 0.256 0.249 0.000 -0.028 0.000 3/19200 110.0 0.238 0.233 0.228 0.000 -0.026 0.000 3/19200 120.0 0.220 0.214 0.210 0.000 -0.025 0.000 3/19200 130.0 0.204 0.198 0.195 0.000 -0.024 0.000 3/19200 140.0 0.191 0.184 0.182 0.000 -0.022 0.000 3/19200 150.0 0.179 0.172 0.171 0.000 -0.021 0.000 3/19200 160.0 0.169 0.161 0.161 0.000 -0.021 0.000 3/19200 170.0 0.160 0.152 0.152 0.000 -0.020 0.000 3/19200 180.0 0.152 0.144 0.144 0.000 -0.019 0.000 3/19200 190.0 0.145 0.137 0.137 0.000 -0.018 0.000 3/19200 200.0 0.139 0.130 0.131 0.000 -0.018 0.000 3/19200 210.0 0.133 0.124 0.125 0.000 -0.017 0.000 3/19200 220.0 0.127 0.119 0.120 0.000 -0.016 0.000 3/19200 230.0 0.122 0.114 0.115 0.000 -0.016 0.000 3/19200 240.0 0.118 0.109 0.111 0.000 -0.015 0.000 3/19200 250.0 0.113 0.105 0.106 0.000 -0.015 0.000 3/19200 260.0 0.109 0.101 0.103 0.000 -0.014 0.000 3/19200 270.0 0.106 0.098 0.099 0.000 -0.014 0.000 3/19200 280.0 0.102 0.094 0.096 0.000 -0.013 0.000 3/19200 290.0 0.099 0.091 0.093 0.000 -0.013 0.000 3/19200 300.0 0.096 0.088 0.090 0.000 -0.013 0.000 3/19200 310.0 0.093 0.086 0.087 0.000 -0.012 0.000 3/19200 320.0 0.091 0.083 0.085 0.000 -0.012 0.000 3/19200 330.0 0.088 0.081 0.082 0.000 -0.012 0.000 3/19200 340.0 0.086 0.078 0.080 0.000 -0.011 0.000 3/19200 350.0 0.083 0.076 0.078 0.000 -0.011 0.000 3/19200 360.0 0.081 0.074 0.076 0.000 -0.011 0.000 3/19200 370.0 0.079 0.072 0.074 0.000 -0.011 0.000 3/19200 380.0 0.077 0.070 0.072 0.000 -0.010 0.000 3/19200 390.0 0.075 0.069 0.070 0.000 -0.010 0.000 3/19200 400.0 0.074 0.067 0.068 0.000 -0.010 0.000 3/19200 410.0 0.072 0.065 0.067 0.000 -0.010 0.000 3/19200 420.0 0.070 0.064 0.065 0.000 -0.010 0.000 3/19200 430.0 0.069 0.062 0.064 0.000 -0.009 0.000 3/19200 440.0 0.067 0.061 0.062 0.000 -0.009 0.000 3/19200 450.0 0.066 0.060 0.061 0.000 -0.009 0.000 3/19200 460.0 0.065 0.059 0.060 0.000 -0.009 0.000 3/19200 470.0 0.063 0.057 0.059 0.000 -0.009 0.000 3/19200 480.0 0.062 0.056 0.057 0.000 -0.008 0.000 3/19200 490.0 0.061 0.055 0.056 0.000 -0.008 0.000 3/19200 500.0 0.060 0.054 0.055 0.000 -0.008 0.000 3/19200 510.0 0.059 0.053 0.054 0.000 -0.008 0.000 3/19200 520.0 0.058 0.052 0.053 0.000 -0.008 0.000 3/19200 530.0 0.056 0.051 0.052 0.000 -0.008 0.000 3/19200 540.0 0.055 0.050 0.051 0.000 -0.008 0.000 3/19200 550.0 0.055 0.049 0.050 0.000 -0.007 0.000 3/19200 560.0 0.054 0.048 0.050 0.000 -0.007 0.000 3/19200 570.0 0.053 0.047 0.049 0.000 -0.007 0.000 3/19200 580.0 0.052 0.047 0.048 0.000 -0.007 0.000 3/19200 590.0 0.051 0.046 0.047 0.000 -0.007 0.000 3/19200 600.0 0.050 0.045 0.046 0.000 -0.007 0.000 3/19200 610.0 0.049 0.044 0.046 0.000 -0.007 0.000 3/19200 620.0 0.049 0.044 0.045 0.000 -0.007 0.000 3/19200 630.0 0.048 0.043 0.044 0.000 -0.007 0.000 3/19200 640.0 0.047 0.042 0.044 0.000 -0.006 0.000 3/19200 650.0 0.046 0.042 0.043 0.000 -0.006 0.000 3/19200 660.0 0.046 0.041 0.042 0.000 -0.006 0.000 3/19200 670.0 0.045 0.041 0.042 0.000 -0.006 0.000 3/19200 680.0 0.044 0.040 0.041 0.000 -0.006 0.000 3/19200 690.0 0.044 0.039 0.040 0.000 -0.006 0.000 3/19200 700.0 0.043 0.039 0.040 0.000 -0.006 0.000 3/19200 710.0 0.043 0.038 0.039 0.000 -0.006 0.000 3/19200 720.0 0.042 0.038 0.039 0.000 -0.006 0.000 3/19200 730.0 0.042 0.037 0.038 0.000 -0.006 0.000 3/19200 740.0 0.041 0.037 0.038 0.000 -0.006 0.000 3/19200 750.0 0.040 0.036 0.037 0.000 -0.006 0.000 3/19200 760.0 0.040 0.036 0.037 0.000 -0.005 0.000 3/19200 770.0 0.039 0.035 0.036 0.000 -0.005 0.000 3/19200 780.0 0.039 0.035 0.036 0.000 -0.005 0.000 3/19200 790.0 0.038 0.034 0.035 0.000 -0.005 0.000 3/19200 800.0 0.038 0.034 0.035 0.000 -0.005 0.000 3/19200 810.0 0.038 0.034 0.035 0.000 -0.005 0.000 3/19200 820.0 0.037 0.033 0.034 0.000 -0.005 0.000 3/19200 830.0 0.037 0.033 0.034 0.000 -0.005 0.000 3/19200 840.0 0.036 0.032 0.033 0.000 -0.005 0.000 3/19200 850.0 0.036 0.032 0.033 0.000 -0.005 0.000 3/19200 860.0 0.035 0.032 0.033 0.000 -0.005 0.000 3/19200 870.0 0.035 0.031 0.032 0.000 -0.005 0.000 3/19200 880.0 0.035 0.031 0.032 0.000 -0.005 0.000 3/19200 890.0 0.034 0.031 0.032 0.000 -0.005 0.000 3/19200 900.0 0.034 0.030 0.031 0.000 -0.005 0.000 3/19200 910.0 0.033 0.030 0.031 0.000 -0.005 0.000 3/19200 920.0 0.033 0.030 0.031 0.000 -0.005 0.000 3/19200 930.0 0.033 0.029 0.030 0.000 -0.005 0.000 3/19200 940.0 0.032 0.029 0.030 0.000 -0.004 0.000 3/19200 950.0 0.032 0.029 0.030 0.000 -0.004 0.000 3/19200 960.0 0.032 0.028 0.029 0.000 -0.004 0.000 3/19200 970.0 0.031 0.028 0.029 0.000 -0.004 0.000 3/19200 980.0 0.031 0.028 0.029 0.000 -0.004 0.000 3/19200 990.0 0.031 0.028 0.028 0.000 -0.004 0.000 3/19200 1000.0 0.031 0.027 0.028 0.000 -0.004 0.000 3/19200 Thermal conductivity related properties were written into "kappa-m855.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:07:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|