----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:04:49]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.208345338105881 0.000000000000000 0.000000000000000 b 0.000000000000000 10.341364100000000 0.000000000000000 c -1.702282372185661 0.000000000000000 13.245556691342747 Atomic positions (fractional): *1 Li 0.58233554023622 0.95089548864740 0.90478685220922 6.941 2 Li 0.58233554023622 0.54910451135260 0.40478685220922 6.941 *3 Li 0.73511286973652 0.11974419668618 0.70959815479925 6.941 4 Li 0.73511286973652 0.38025580331382 0.20959815479925 6.941 *5 Li 0.60737640958507 0.57152909501209 0.91069652573931 6.941 6 Li 0.60737640958507 0.92847090498791 0.41069652573931 6.941 *7 Li 0.76821368990568 0.40280531814480 0.69917418624384 6.941 8 Li 0.76821368990568 0.09719468185520 0.19917418624384 6.941 *9 Li 0.91568342986544 0.88397139099985 0.99992696199525 6.941 10 Li 0.91568342986544 0.61602860900015 0.49992696199525 6.941 *11 Li 0.89973527826419 0.02011883012193 0.56256967447096 6.941 12 Li 0.89973527826419 0.47988116987807 0.06256967447096 6.941 13 Li 0.10026472173581 0.52011883012193 0.93743032552904 6.941 14 Li 0.10026472173581 0.97988116987807 0.43743032552904 6.941 15 Li 0.08431657013456 0.38397139099985 0.50007303800475 6.941 16 Li 0.08431657013456 0.11602860900015 0.00007303800475 6.941 17 Li 0.23178631009432 0.90280531814480 0.80082581375616 6.941 18 Li 0.23178631009432 0.59719468185520 0.30082581375616 6.941 19 Li 0.39262359041493 0.07152909501209 0.58930347426069 6.941 20 Li 0.39262359041493 0.42847090498791 0.08930347426069 6.941 21 Li 0.26488713026348 0.61974419668618 0.79040184520075 6.941 22 Li 0.26488713026348 0.88025580331382 0.29040184520075 6.941 23 Li 0.41766445976378 0.45089548864740 0.59521314779078 6.941 24 Li 0.41766445976378 0.04910451135260 0.09521314779078 6.941 *25 Sb 0.71293169885680 0.24710330496329 0.95364369479396 121.760 26 Sb 0.71293169885680 0.25289669503671 0.45364369479396 121.760 *27 Sb 0.73643222736657 0.76015451394521 0.70922287369836 121.760 28 Sb 0.73643222736657 0.73984548605479 0.20922287369836 121.760 29 Sb 0.26356777263343 0.26015451394521 0.79077712630164 121.760 30 Sb 0.26356777263343 0.23984548605479 0.29077712630164 121.760 31 Sb 0.28706830114320 0.74710330496329 0.54635630520604 121.760 32 Sb 0.28706830114320 0.75289669503671 0.04635630520604 121.760 *33 S 0.50496732821084 0.75833518866710 0.80894640193393 32.065 34 S 0.50496732821084 0.74166481133290 0.30894640193393 32.065 *35 S 0.64500267829088 0.94024617288028 0.59727608308388 32.065 36 S 0.64500267829088 0.55975382711972 0.09727608308388 32.065 *37 S 0.66973032434096 0.58055041844340 0.58991911161677 32.065 38 S 0.66973032434096 0.91944958155660 0.08991911161677 32.065 *39 S 0.84255631506643 0.06189203880006 0.87667588571263 32.065 *40 S 0.83839806288693 0.43471517452162 0.87713043550379 32.065 41 S 0.84255631506643 0.43810796119994 0.37667588571263 32.065 42 S 0.83839806288693 0.06528482547839 0.37713043550379 32.065 *43 S 0.91632462495545 0.24692891796265 0.60726159087485 32.065 44 S 0.91632462495545 0.25307108203735 0.10726159087485 32.065 45 S 0.08367537504455 0.74692891796265 0.89273840912515 32.065 46 S 0.08367537504455 0.75307108203735 0.39273840912515 32.065 47 S 0.16160193711307 0.93471517452161 0.62286956449621 32.065 48 S 0.15744368493357 0.56189203880006 0.62332411428737 32.065 49 S 0.16160193711307 0.56528482547839 0.12286956449621 32.065 50 S 0.15744368493357 0.93810796119994 0.12332411428737 32.065 51 S 0.33026967565904 0.08055041844340 0.91008088838323 32.065 52 S 0.33026967565904 0.41944958155660 0.41008088838323 32.065 53 S 0.35499732170912 0.44024617288028 0.90272391691612 32.065 54 S 0.35499732170912 0.05975382711972 0.40272391691612 32.065 55 S 0.49503267178916 0.25833518866710 0.69105359806607 32.065 56 S 0.49503267178916 0.24166481133290 0.19105359806607 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.208345338105881 0.000000000000000 0.000000000000000 b 0.000000000000000 10.341364100000000 0.000000000000000 c -1.702282372185661 0.000000000000000 13.245556691342747 Atomic positions (fractional): *1 Li 0.58233554023622 0.95089548864740 0.90478685220922 6.941 > 1 2 Li 0.58233554023622 0.54910451135260 0.40478685220922 6.941 > 2 *3 Li 0.73511286973652 0.11974419668618 0.70959815479925 6.941 > 3 4 Li 0.73511286973652 0.38025580331382 0.20959815479925 6.941 > 4 *5 Li 0.60737640958507 0.57152909501209 0.91069652573931 6.941 > 5 6 Li 0.60737640958507 0.92847090498791 0.41069652573931 6.941 > 6 *7 Li 0.76821368990568 0.40280531814480 0.69917418624384 6.941 > 7 8 Li 0.76821368990568 0.09719468185520 0.19917418624384 6.941 > 8 *9 Li 0.91568342986544 0.88397139099985 0.99992696199525 6.941 > 9 10 Li 0.91568342986544 0.61602860900015 0.49992696199525 6.941 > 10 *11 Li 0.89973527826419 0.02011883012193 0.56256967447096 6.941 > 11 12 Li 0.89973527826419 0.47988116987807 0.06256967447096 6.941 > 12 13 Li 0.10026472173581 0.52011883012193 0.93743032552904 6.941 > 13 14 Li 0.10026472173581 0.97988116987807 0.43743032552904 6.941 > 14 15 Li 0.08431657013456 0.38397139099985 0.50007303800475 6.941 > 15 16 Li 0.08431657013456 0.11602860900015 0.00007303800475 6.941 > 16 17 Li 0.23178631009432 0.90280531814480 0.80082581375616 6.941 > 17 18 Li 0.23178631009432 0.59719468185520 0.30082581375616 6.941 > 18 19 Li 0.39262359041493 0.07152909501209 0.58930347426069 6.941 > 19 20 Li 0.39262359041493 0.42847090498791 0.08930347426069 6.941 > 20 21 Li 0.26488713026348 0.61974419668618 0.79040184520075 6.941 > 21 22 Li 0.26488713026348 0.88025580331382 0.29040184520075 6.941 > 22 23 Li 0.41766445976378 0.45089548864740 0.59521314779078 6.941 > 23 24 Li 0.41766445976378 0.04910451135260 0.09521314779078 6.941 > 24 *25 Sb 0.71293169885680 0.24710330496329 0.95364369479396 121.760 > 25 26 Sb 0.71293169885680 0.25289669503671 0.45364369479396 121.760 > 26 *27 Sb 0.73643222736657 0.76015451394521 0.70922287369836 121.760 > 27 28 Sb 0.73643222736657 0.73984548605479 0.20922287369836 121.760 > 28 29 Sb 0.26356777263343 0.26015451394521 0.79077712630164 121.760 > 29 30 Sb 0.26356777263343 0.23984548605479 0.29077712630164 121.760 > 30 31 Sb 0.28706830114320 0.74710330496329 0.54635630520604 121.760 > 31 32 Sb 0.28706830114320 0.75289669503671 0.04635630520604 121.760 > 32 *33 S 0.50496732821084 0.75833518866710 0.80894640193393 32.065 > 33 34 S 0.50496732821084 0.74166481133290 0.30894640193393 32.065 > 34 *35 S 0.64500267829088 0.94024617288028 0.59727608308388 32.065 > 35 36 S 0.64500267829088 0.55975382711972 0.09727608308388 32.065 > 36 *37 S 0.66973032434096 0.58055041844340 0.58991911161677 32.065 > 37 38 S 0.66973032434096 0.91944958155660 0.08991911161677 32.065 > 38 *39 S 0.84255631506643 0.06189203880006 0.87667588571263 32.065 > 39 *40 S 0.83839806288693 0.43471517452162 0.87713043550379 32.065 > 40 41 S 0.84255631506643 0.43810796119994 0.37667588571263 32.065 > 41 42 S 0.83839806288693 0.06528482547839 0.37713043550379 32.065 > 42 *43 S 0.91632462495545 0.24692891796265 0.60726159087485 32.065 > 43 44 S 0.91632462495545 0.25307108203735 0.10726159087485 32.065 > 44 45 S 0.08367537504455 0.74692891796265 0.89273840912515 32.065 > 45 46 S 0.08367537504455 0.75307108203735 0.39273840912515 32.065 > 46 47 S 0.16160193711307 0.93471517452161 0.62286956449621 32.065 > 47 48 S 0.15744368493357 0.56189203880006 0.62332411428737 32.065 > 48 49 S 0.16160193711307 0.56528482547839 0.12286956449621 32.065 > 49 50 S 0.15744368493357 0.93810796119994 0.12332411428737 32.065 > 50 51 S 0.33026967565904 0.08055041844340 0.91008088838323 32.065 > 51 52 S 0.33026967565904 0.41944958155660 0.41008088838323 32.065 > 52 53 S 0.35499732170912 0.44024617288028 0.90272391691612 32.065 > 53 54 S 0.35499732170912 0.05975382711972 0.40272391691612 32.065 > 54 55 S 0.49503267178916 0.25833518866710 0.69105359806607 32.065 > 55 56 S 0.49503267178916 0.24166481133290 0.19105359806607 32.065 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.416690676211761 0.000000000000000 0.000000000000000 b 0.000000000000000 10.341364100000000 0.000000000000000 c -1.702282372185661 0.000000000000000 13.245556691342747 Atomic positions (fractional): *1 Li 0.29116777011811 0.95089548864740 0.90478685220922 6.941 > 1 2 Li 0.79116777011811 0.95089548864740 0.90478685220922 6.941 > 1 3 Li 0.29116777011811 0.54910451135260 0.40478685220922 6.941 > 2 4 Li 0.79116777011811 0.54910451135260 0.40478685220922 6.941 > 2 *5 Li 0.36755643486826 0.11974419668618 0.70959815479925 6.941 > 3 6 Li 0.86755643486826 0.11974419668618 0.70959815479925 6.941 > 3 7 Li 0.36755643486826 0.38025580331382 0.20959815479925 6.941 > 4 8 Li 0.86755643486826 0.38025580331382 0.20959815479925 6.941 > 4 *9 Li 0.30368820479253 0.57152909501209 0.91069652573931 6.941 > 5 10 Li 0.80368820479253 0.57152909501209 0.91069652573931 6.941 > 5 11 Li 0.30368820479253 0.92847090498791 0.41069652573931 6.941 > 6 12 Li 0.80368820479253 0.92847090498791 0.41069652573931 6.941 > 6 *13 Li 0.38410684495284 0.40280531814480 0.69917418624384 6.941 > 7 14 Li 0.88410684495284 0.40280531814480 0.69917418624384 6.941 > 7 15 Li 0.38410684495284 0.09719468185520 0.19917418624384 6.941 > 8 16 Li 0.88410684495284 0.09719468185520 0.19917418624384 6.941 > 8 *17 Li 0.45784171493272 0.88397139099985 0.99992696199525 6.941 > 9 18 Li 0.95784171493272 0.88397139099985 0.99992696199525 6.941 > 9 19 Li 0.45784171493272 0.61602860900015 0.49992696199525 6.941 > 10 20 Li 0.95784171493272 0.61602860900015 0.49992696199525 6.941 > 10 *21 Li 0.44986763913209 0.02011883012193 0.56256967447096 6.941 > 11 22 Li 0.94986763913209 0.02011883012193 0.56256967447096 6.941 > 11 23 Li 0.44986763913209 0.47988116987807 0.06256967447096 6.941 > 12 24 Li 0.94986763913209 0.47988116987807 0.06256967447096 6.941 > 12 25 Li 0.05013236086791 0.52011883012193 0.93743032552904 6.941 > 13 26 Li 0.55013236086791 0.52011883012193 0.93743032552904 6.941 > 13 27 Li 0.05013236086791 0.97988116987807 0.43743032552904 6.941 > 14 28 Li 0.55013236086791 0.97988116987807 0.43743032552904 6.941 > 14 29 Li 0.04215828506728 0.38397139099985 0.50007303800475 6.941 > 15 30 Li 0.54215828506728 0.38397139099985 0.50007303800475 6.941 > 15 31 Li 0.04215828506728 0.11602860900015 0.00007303800475 6.941 > 16 32 Li 0.54215828506728 0.11602860900015 0.00007303800475 6.941 > 16 33 Li 0.11589315504716 0.90280531814480 0.80082581375616 6.941 > 17 34 Li 0.61589315504716 0.90280531814480 0.80082581375616 6.941 > 17 35 Li 0.11589315504716 0.59719468185520 0.30082581375616 6.941 > 18 36 Li 0.61589315504716 0.59719468185520 0.30082581375616 6.941 > 18 37 Li 0.19631179520747 0.07152909501209 0.58930347426069 6.941 > 19 38 Li 0.69631179520747 0.07152909501209 0.58930347426069 6.941 > 19 39 Li 0.19631179520747 0.42847090498791 0.08930347426069 6.941 > 20 40 Li 0.69631179520747 0.42847090498791 0.08930347426069 6.941 > 20 41 Li 0.13244356513174 0.61974419668618 0.79040184520075 6.941 > 21 42 Li 0.63244356513174 0.61974419668618 0.79040184520075 6.941 > 21 43 Li 0.13244356513174 0.88025580331382 0.29040184520075 6.941 > 22 44 Li 0.63244356513174 0.88025580331382 0.29040184520075 6.941 > 22 45 Li 0.20883222988189 0.45089548864740 0.59521314779078 6.941 > 23 46 Li 0.70883222988189 0.45089548864740 0.59521314779078 6.941 > 23 47 Li 0.20883222988189 0.04910451135260 0.09521314779078 6.941 > 24 48 Li 0.70883222988189 0.04910451135260 0.09521314779078 6.941 > 24 *49 Sb 0.35646584942840 0.24710330496329 0.95364369479396 121.760 > 25 50 Sb 0.85646584942840 0.24710330496329 0.95364369479396 121.760 > 25 51 Sb 0.35646584942840 0.25289669503671 0.45364369479396 121.760 > 26 52 Sb 0.85646584942840 0.25289669503671 0.45364369479396 121.760 > 26 *53 Sb 0.36821611368328 0.76015451394521 0.70922287369836 121.760 > 27 54 Sb 0.86821611368328 0.76015451394521 0.70922287369836 121.760 > 27 55 Sb 0.36821611368328 0.73984548605479 0.20922287369836 121.760 > 28 56 Sb 0.86821611368328 0.73984548605479 0.20922287369836 121.760 > 28 57 Sb 0.13178388631672 0.26015451394521 0.79077712630164 121.760 > 29 58 Sb 0.63178388631672 0.26015451394521 0.79077712630164 121.760 > 29 59 Sb 0.13178388631672 0.23984548605479 0.29077712630164 121.760 > 30 60 Sb 0.63178388631672 0.23984548605479 0.29077712630164 121.760 > 30 61 Sb 0.14353415057160 0.74710330496329 0.54635630520604 121.760 > 31 62 Sb 0.64353415057160 0.74710330496329 0.54635630520604 121.760 > 31 63 Sb 0.14353415057160 0.75289669503671 0.04635630520604 121.760 > 32 64 Sb 0.64353415057160 0.75289669503671 0.04635630520604 121.760 > 32 *65 S 0.25248366410542 0.75833518866710 0.80894640193393 32.065 > 33 66 S 0.75248366410542 0.75833518866710 0.80894640193393 32.065 > 33 67 S 0.25248366410542 0.74166481133290 0.30894640193393 32.065 > 34 68 S 0.75248366410542 0.74166481133290 0.30894640193393 32.065 > 34 *69 S 0.32250133914544 0.94024617288028 0.59727608308388 32.065 > 35 70 S 0.82250133914544 0.94024617288028 0.59727608308388 32.065 > 35 71 S 0.32250133914544 0.55975382711972 0.09727608308388 32.065 > 36 72 S 0.82250133914544 0.55975382711972 0.09727608308388 32.065 > 36 *73 S 0.33486516217048 0.58055041844340 0.58991911161677 32.065 > 37 74 S 0.83486516217048 0.58055041844340 0.58991911161677 32.065 > 37 75 S 0.33486516217048 0.91944958155660 0.08991911161677 32.065 > 38 76 S 0.83486516217048 0.91944958155660 0.08991911161677 32.065 > 38 *77 S 0.42127815753321 0.06189203880006 0.87667588571263 32.065 > 39 78 S 0.92127815753321 0.06189203880006 0.87667588571263 32.065 > 39 *79 S 0.41919903144346 0.43471517452162 0.87713043550379 32.065 > 40 80 S 0.91919903144346 0.43471517452162 0.87713043550379 32.065 > 40 81 S 0.42127815753321 0.43810796119994 0.37667588571263 32.065 > 41 82 S 0.92127815753321 0.43810796119994 0.37667588571263 32.065 > 41 83 S 0.41919903144346 0.06528482547839 0.37713043550379 32.065 > 42 84 S 0.91919903144346 0.06528482547839 0.37713043550379 32.065 > 42 *85 S 0.45816231247772 0.24692891796265 0.60726159087485 32.065 > 43 86 S 0.95816231247772 0.24692891796265 0.60726159087485 32.065 > 43 87 S 0.45816231247772 0.25307108203735 0.10726159087485 32.065 > 44 88 S 0.95816231247772 0.25307108203735 0.10726159087485 32.065 > 44 89 S 0.04183768752228 0.74692891796265 0.89273840912515 32.065 > 45 90 S 0.54183768752228 0.74692891796265 0.89273840912515 32.065 > 45 91 S 0.04183768752228 0.75307108203735 0.39273840912515 32.065 > 46 92 S 0.54183768752228 0.75307108203735 0.39273840912515 32.065 > 46 93 S 0.08080096855654 0.93471517452161 0.62286956449621 32.065 > 47 94 S 0.58080096855654 0.93471517452161 0.62286956449621 32.065 > 47 95 S 0.07872184246679 0.56189203880006 0.62332411428737 32.065 > 48 96 S 0.57872184246679 0.56189203880006 0.62332411428737 32.065 > 48 97 S 0.08080096855654 0.56528482547839 0.12286956449621 32.065 > 49 98 S 0.58080096855654 0.56528482547839 0.12286956449621 32.065 > 49 99 S 0.07872184246679 0.93810796119994 0.12332411428737 32.065 > 50 100 S 0.57872184246679 0.93810796119994 0.12332411428737 32.065 > 50 101 S 0.16513483782952 0.08055041844340 0.91008088838323 32.065 > 51 102 S 0.66513483782952 0.08055041844340 0.91008088838323 32.065 > 51 103 S 0.16513483782952 0.41944958155660 0.41008088838323 32.065 > 52 104 S 0.66513483782952 0.41944958155660 0.41008088838323 32.065 > 52 105 S 0.17749866085456 0.44024617288028 0.90272391691612 32.065 > 53 106 S 0.67749866085456 0.44024617288028 0.90272391691612 32.065 > 53 107 S 0.17749866085456 0.05975382711972 0.40272391691612 32.065 > 54 108 S 0.67749866085456 0.05975382711972 0.40272391691612 32.065 > 54 109 S 0.24751633589458 0.25833518866710 0.69105359806607 32.065 > 55 110 S 0.74751633589458 0.25833518866710 0.69105359806607 32.065 > 55 111 S 0.24751633589458 0.24166481133290 0.19105359806607 32.065 > 56 112 S 0.74751633589458 0.24166481133290 0.19105359806607 32.065 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1350263 0.0000000 0.1648803 0.0000000 5.7909639 0.0000000 0.1648824 0.0000000 5.6446155 -------------------------- Born effective charges -------------------------- 1 Li 0.8522583 0.0977591 -0.0800731 -0.0158180 1.1487460 -0.1531356 0.2891139 0.2598806 1.1623804 2 Li 0.8522583 -0.0977591 -0.0800731 0.0158180 1.1487460 0.1531356 0.2891139 -0.2598806 1.1623804 3 Li 0.8675304 -0.0348681 0.0364199 0.0602098 0.9926600 0.2013089 -0.2689539 0.0074636 1.1410440 4 Li 0.8675304 0.0348681 0.0364199 -0.0602098 0.9926600 -0.2013089 -0.2689539 -0.0074636 1.1410440 5 Li 0.8893853 -0.0827769 -0.0735805 -0.0360690 1.1107309 0.1012819 0.2422403 -0.2753360 1.1487786 6 Li 0.8893853 0.0827769 -0.0735805 0.0360690 1.1107309 -0.1012819 0.2422403 0.2753360 1.1487786 7 Li 0.9626079 0.0350089 0.0039720 -0.0216345 1.0806611 -0.2609038 -0.2975403 0.0145457 1.1690057 8 Li 0.9626079 -0.0350089 0.0039720 0.0216345 1.0806611 0.2609038 -0.2975403 -0.0145457 1.1690057 9 Li 1.4103195 -0.2545148 -0.0866254 -0.1409045 0.9540937 -0.2856092 -0.1227204 -0.0001932 0.8320285 10 Li 1.4103195 0.2545148 -0.0866254 0.1409045 0.9540937 0.2856092 -0.1227204 0.0001932 0.8320285 11 Li 1.0728287 -0.0810880 0.0243715 -0.0722404 0.9983590 -0.3228330 -0.1600006 -0.1431421 0.6601385 12 Li 1.0728287 0.0810880 0.0243715 0.0722404 0.9983590 0.3228330 -0.1600006 0.1431421 0.6601385 13 Li 1.0728287 0.0810880 0.0243715 0.0722404 0.9983590 0.3228330 -0.1600006 0.1431421 0.6601385 14 Li 1.0728287 -0.0810880 0.0243715 -0.0722404 0.9983590 -0.3228330 -0.1600006 -0.1431421 0.6601385 15 Li 1.4103195 0.2545148 -0.0866254 0.1409045 0.9540937 0.2856092 -0.1227204 0.0001932 0.8320285 16 Li 1.4103195 -0.2545148 -0.0866254 -0.1409045 0.9540937 -0.2856092 -0.1227204 -0.0001932 0.8320285 17 Li 0.9626079 -0.0350089 0.0039720 0.0216345 1.0806611 0.2609038 -0.2975403 -0.0145457 1.1690057 18 Li 0.9626079 0.0350089 0.0039720 -0.0216345 1.0806611 -0.2609038 -0.2975403 0.0145457 1.1690057 19 Li 0.8893853 0.0827769 -0.0735805 0.0360690 1.1107309 -0.1012819 0.2422403 0.2753360 1.1487786 20 Li 0.8893853 -0.0827769 -0.0735805 -0.0360690 1.1107309 0.1012819 0.2422403 -0.2753360 1.1487786 21 Li 0.8675304 0.0348681 0.0364199 -0.0602098 0.9926600 -0.2013089 -0.2689539 -0.0074636 1.1410440 22 Li 0.8675304 -0.0348681 0.0364199 0.0602098 0.9926600 0.2013089 -0.2689539 0.0074636 1.1410440 23 Li 0.8522583 -0.0977591 -0.0800731 0.0158180 1.1487460 0.1531356 0.2891139 -0.2598806 1.1623804 24 Li 0.8522583 0.0977591 -0.0800731 -0.0158180 1.1487460 -0.1531356 0.2891139 0.2598806 1.1623804 25 Sb 1.8848762 0.0707123 0.2233338 -0.0493505 3.0495359 0.0734752 0.0561044 0.0524641 2.4833515 26 Sb 1.8848762 -0.0707123 0.2233338 0.0493505 3.0495359 -0.0734752 0.0561044 -0.0524641 2.4833515 27 Sb 2.0579380 -0.0171000 -0.2109281 -0.0824820 2.9912175 0.0552902 -0.2032541 0.0917725 2.6085507 28 Sb 2.0579380 0.0171000 -0.2109281 0.0824820 2.9912175 -0.0552902 -0.2032541 -0.0917725 2.6085507 29 Sb 2.0579380 0.0171000 -0.2109281 0.0824820 2.9912175 -0.0552902 -0.2032541 -0.0917725 2.6085507 30 Sb 2.0579380 -0.0171000 -0.2109281 -0.0824820 2.9912175 0.0552902 -0.2032541 0.0917725 2.6085507 31 Sb 1.8848762 -0.0707123 0.2233338 0.0493505 3.0495359 -0.0734752 0.0561044 -0.0524641 2.4833515 32 Sb 1.8848762 0.0707123 0.2233338 -0.0493505 3.0495359 0.0734752 0.0561044 0.0524641 2.4833515 33 S -2.2533079 -0.0255036 0.4514048 -0.0704062 -1.3525942 0.0105952 0.7620849 -0.0593454 -1.8603709 34 S -2.2533079 0.0255036 0.4514048 0.0704062 -1.3525942 -0.0105952 0.7620849 0.0593454 -1.8603709 35 S -1.4423208 -0.0978294 -0.1504243 0.1754693 -2.4886550 0.9269195 -0.3511569 0.7627176 -1.8372908 36 S -1.4423208 0.0978294 -0.1504243 -0.1754693 -2.4886550 -0.9269195 -0.3511569 -0.7627176 -1.8372908 37 S -1.5382180 0.0080089 -0.0751238 -0.3043693 -2.4141841 -1.0110501 -0.3499318 -0.7812508 -2.0214907 38 S -1.5382180 -0.0080089 -0.0751238 0.3043693 -2.4141841 1.0110501 -0.3499318 0.7812508 -2.0214907 39 S -1.4327488 0.1779085 0.0391940 0.5327256 -2.3160481 -0.2885195 0.3173789 -0.5075366 -1.5995774 40 S -1.5786935 -0.2992716 0.1302546 -0.6300109 -2.0958831 0.2787040 0.3979694 0.4589797 -1.6363676 41 S -1.4327488 -0.1779085 0.0391940 -0.5327256 -2.3160481 0.2885195 0.3173789 0.5075366 -1.5995774 42 S -1.5786935 0.2992716 0.1302546 0.6300109 -2.0958831 -0.2787040 0.3979694 -0.4589797 -1.6363676 43 S -1.7524553 -0.0679894 -0.2321954 -0.0798186 -1.6586397 0.0907793 -0.3113340 0.0914990 -2.2501805 44 S -1.7524553 0.0679894 -0.2321954 0.0798186 -1.6586397 -0.0907793 -0.3113340 -0.0914990 -2.2501805 45 S -1.7524553 0.0679894 -0.2321954 0.0798186 -1.6586397 -0.0907793 -0.3113340 -0.0914990 -2.2501805 46 S -1.7524553 -0.0679894 -0.2321954 -0.0798186 -1.6586397 0.0907793 -0.3113340 0.0914990 -2.2501805 47 S -1.5786935 0.2992716 0.1302546 0.6300109 -2.0958831 -0.2787040 0.3979694 -0.4589797 -1.6363676 48 S -1.4327488 -0.1779085 0.0391940 -0.5327256 -2.3160481 0.2885195 0.3173789 0.5075366 -1.5995774 49 S -1.5786935 -0.2992716 0.1302546 -0.6300109 -2.0958831 0.2787040 0.3979694 0.4589797 -1.6363676 50 S -1.4327488 0.1779085 0.0391940 0.5327256 -2.3160481 -0.2885195 0.3173789 -0.5075366 -1.5995774 51 S -1.5382180 -0.0080089 -0.0751238 0.3043693 -2.4141841 1.0110501 -0.3499318 0.7812508 -2.0214907 52 S -1.5382180 0.0080089 -0.0751238 -0.3043693 -2.4141841 -1.0110501 -0.3499318 -0.7812508 -2.0214907 53 S -1.4423208 0.0978294 -0.1504243 -0.1754693 -2.4886550 -0.9269195 -0.3511569 -0.7627176 -1.8372908 54 S -1.4423208 -0.0978294 -0.1504243 0.1754693 -2.4886550 0.9269195 -0.3511569 0.7627176 -1.8372908 55 S -2.2533079 0.0255036 0.4514048 0.0704062 -1.3525942 -0.0105952 0.7620849 0.0593454 -1.8603709 56 S -2.2533079 -0.0255036 0.4514048 -0.0704062 -1.3525942 0.0105952 0.7620849 -0.0593454 -1.8603709 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 234 eigenvectors found. (2) Block: 500 / 568 (2) 222 eigenvectors found. (2) Block: 568 / 568 (2) 50 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 234 eigenvectors found. (2) Block: 500 / 568 (2) 222 eigenvectors found. (2) Block: 568 / 568 (2) 50 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 50), data: (1568, 78) @ (78, 50) |-- (568, 540), data: False |-- (568, 34), data: (568, 62) @ (62, 34) |-- (68, 50), data: True |-- (250, 222), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 50), data: (1568, 78) @ (78, 50) |-- (568, 540), data: False |-- (568, 34), data: (568, 62) @ (62, 34) |-- (68, 50), data: True |-- (250, 222), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.932 Solver_block: 200 / 1680 - Time: 1.673 Solver_block: 300 / 1680 - Time: 1.671 Solver_block: 400 / 1680 - Time: 1.673 Solver_block: 500 / 1680 - Time: 1.670 Solver_block: 600 / 1680 - Time: 1.671 Solver_block: 700 / 1680 - Time: 1.672 Solver_block: 800 / 1680 - Time: 1.673 Solver_block: 900 / 1680 - Time: 1.672 Solver_block: 1000 / 1680 - Time: 1.671 Solver_block: 1100 / 1680 - Time: 1.668 Solver_block: 1200 / 1680 - Time: 1.670 Solver_block: 1300 / 1680 - Time: 1.671 Solver_block: 1400 / 1680 - Time: 1.673 Solver_block: 1500 / 1680 - Time: 1.669 Solver_block: 1600 / 1680 - Time: 1.672 Solver_block: 1680 / 1680 - Time: 1.382 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.227 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 234 eigenvectors found. (2) Block: 500 / 568 (2) 222 eigenvectors found. (2) Block: 568 / 568 (2) 50 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 234 eigenvectors found. (2) Block: 500 / 568 (2) 222 eigenvectors found. (2) Block: 568 / 568 (2) 50 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 78 (1) Compute compressed projector. (1) Use standard solver. (1) 50 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 50), data: (1568, 78) @ (78, 50) |-- (568, 540), data: False |-- (568, 34), data: (568, 62) @ (62, 34) |-- (68, 50), data: True |-- (250, 222), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 50), data: (1568, 78) @ (78, 50) |-- (568, 540), data: False |-- (568, 34), data: (568, 62) @ (62, 34) |-- (68, 50), data: True |-- (250, 222), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:06:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:06:30]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.208345338105881 0.000000000000000 0.000000000000000 b 0.000000000000000 10.341364100000000 0.000000000000000 c -1.702282372185661 0.000000000000000 13.245556691342747 Atomic positions (fractional): 1 Li 0.58233554023622 0.95089548864740 0.90478685220922 6.941 2 Li 0.58233554023622 0.54910451135260 0.40478685220922 6.941 3 Li 0.73511286973652 0.11974419668618 0.70959815479925 6.941 4 Li 0.73511286973652 0.38025580331382 0.20959815479925 6.941 5 Li 0.60737640958507 0.57152909501209 0.91069652573931 6.941 6 Li 0.60737640958507 0.92847090498791 0.41069652573931 6.941 7 Li 0.76821368990568 0.40280531814480 0.69917418624384 6.941 8 Li 0.76821368990568 0.09719468185520 0.19917418624384 6.941 9 Li 0.91568342986544 0.88397139099985 0.99992696199525 6.941 10 Li 0.91568342986544 0.61602860900015 0.49992696199525 6.941 11 Li 0.89973527826419 0.02011883012193 0.56256967447096 6.941 12 Li 0.89973527826419 0.47988116987807 0.06256967447096 6.941 13 Li 0.10026472173581 0.52011883012193 0.93743032552904 6.941 14 Li 0.10026472173581 0.97988116987807 0.43743032552904 6.941 15 Li 0.08431657013456 0.38397139099985 0.50007303800475 6.941 16 Li 0.08431657013456 0.11602860900015 0.00007303800475 6.941 17 Li 0.23178631009432 0.90280531814480 0.80082581375616 6.941 18 Li 0.23178631009432 0.59719468185520 0.30082581375616 6.941 19 Li 0.39262359041493 0.07152909501209 0.58930347426069 6.941 20 Li 0.39262359041493 0.42847090498791 0.08930347426069 6.941 21 Li 0.26488713026348 0.61974419668618 0.79040184520075 6.941 22 Li 0.26488713026348 0.88025580331382 0.29040184520075 6.941 23 Li 0.41766445976378 0.45089548864740 0.59521314779078 6.941 24 Li 0.41766445976378 0.04910451135260 0.09521314779078 6.941 25 Sb 0.71293169885680 0.24710330496329 0.95364369479396 121.760 26 Sb 0.71293169885680 0.25289669503671 0.45364369479396 121.760 27 Sb 0.73643222736657 0.76015451394521 0.70922287369836 121.760 28 Sb 0.73643222736657 0.73984548605479 0.20922287369836 121.760 29 Sb 0.26356777263343 0.26015451394521 0.79077712630164 121.760 30 Sb 0.26356777263343 0.23984548605479 0.29077712630164 121.760 31 Sb 0.28706830114320 0.74710330496329 0.54635630520604 121.760 32 Sb 0.28706830114320 0.75289669503671 0.04635630520604 121.760 33 S 0.50496732821084 0.75833518866710 0.80894640193393 32.065 34 S 0.50496732821084 0.74166481133290 0.30894640193393 32.065 35 S 0.64500267829088 0.94024617288028 0.59727608308388 32.065 36 S 0.64500267829088 0.55975382711972 0.09727608308388 32.065 37 S 0.66973032434096 0.58055041844340 0.58991911161677 32.065 38 S 0.66973032434096 0.91944958155660 0.08991911161677 32.065 39 S 0.84255631506643 0.06189203880006 0.87667588571263 32.065 40 S 0.83839806288693 0.43471517452162 0.87713043550379 32.065 41 S 0.84255631506643 0.43810796119994 0.37667588571263 32.065 42 S 0.83839806288693 0.06528482547839 0.37713043550379 32.065 43 S 0.91632462495545 0.24692891796265 0.60726159087485 32.065 44 S 0.91632462495545 0.25307108203735 0.10726159087485 32.065 45 S 0.08367537504455 0.74692891796265 0.89273840912515 32.065 46 S 0.08367537504455 0.75307108203735 0.39273840912515 32.065 47 S 0.16160193711307 0.93471517452161 0.62286956449621 32.065 48 S 0.15744368493357 0.56189203880006 0.62332411428737 32.065 49 S 0.16160193711307 0.56528482547839 0.12286956449621 32.065 50 S 0.15744368493357 0.93810796119994 0.12332411428737 32.065 51 S 0.33026967565904 0.08055041844340 0.91008088838323 32.065 52 S 0.33026967565904 0.41944958155660 0.41008088838323 32.065 53 S 0.35499732170912 0.44024617288028 0.90272391691612 32.065 54 S 0.35499732170912 0.05975382711972 0.40272391691612 32.065 55 S 0.49503267178916 0.25833518866710 0.69105359806607 32.065 56 S 0.49503267178916 0.24166481133290 0.19105359806607 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.416690676211761 0.000000000000000 0.000000000000000 b 0.000000000000000 10.341364100000000 0.000000000000000 c -1.702282372185661 0.000000000000000 13.245556691342747 Atomic positions (fractional): 1 Li 0.29116777011811 0.95089548864740 0.90478685220922 6.941 > 1 2 Li 0.79116777011811 0.95089548864740 0.90478685220922 6.941 > 1 3 Li 0.29116777011811 0.54910451135260 0.40478685220922 6.941 > 3 4 Li 0.79116777011811 0.54910451135260 0.40478685220922 6.941 > 3 5 Li 0.36755643486826 0.11974419668618 0.70959815479925 6.941 > 5 6 Li 0.86755643486826 0.11974419668618 0.70959815479925 6.941 > 5 7 Li 0.36755643486826 0.38025580331382 0.20959815479925 6.941 > 7 8 Li 0.86755643486826 0.38025580331382 0.20959815479925 6.941 > 7 9 Li 0.30368820479253 0.57152909501209 0.91069652573931 6.941 > 9 10 Li 0.80368820479253 0.57152909501209 0.91069652573931 6.941 > 9 11 Li 0.30368820479253 0.92847090498791 0.41069652573931 6.941 > 11 12 Li 0.80368820479253 0.92847090498791 0.41069652573931 6.941 > 11 13 Li 0.38410684495284 0.40280531814480 0.69917418624384 6.941 > 13 14 Li 0.88410684495284 0.40280531814480 0.69917418624384 6.941 > 13 15 Li 0.38410684495284 0.09719468185520 0.19917418624384 6.941 > 15 16 Li 0.88410684495284 0.09719468185520 0.19917418624384 6.941 > 15 17 Li 0.45784171493272 0.88397139099985 0.99992696199525 6.941 > 17 18 Li 0.95784171493272 0.88397139099985 0.99992696199525 6.941 > 17 19 Li 0.45784171493272 0.61602860900015 0.49992696199525 6.941 > 19 20 Li 0.95784171493272 0.61602860900015 0.49992696199525 6.941 > 19 21 Li 0.44986763913209 0.02011883012193 0.56256967447096 6.941 > 21 22 Li 0.94986763913209 0.02011883012193 0.56256967447096 6.941 > 21 23 Li 0.44986763913209 0.47988116987807 0.06256967447096 6.941 > 23 24 Li 0.94986763913209 0.47988116987807 0.06256967447096 6.941 > 23 25 Li 0.05013236086791 0.52011883012193 0.93743032552904 6.941 > 25 26 Li 0.55013236086791 0.52011883012193 0.93743032552904 6.941 > 25 27 Li 0.05013236086791 0.97988116987807 0.43743032552904 6.941 > 27 28 Li 0.55013236086791 0.97988116987807 0.43743032552904 6.941 > 27 29 Li 0.04215828506728 0.38397139099985 0.50007303800475 6.941 > 29 30 Li 0.54215828506728 0.38397139099985 0.50007303800475 6.941 > 29 31 Li 0.04215828506728 0.11602860900015 0.00007303800475 6.941 > 31 32 Li 0.54215828506728 0.11602860900015 0.00007303800475 6.941 > 31 33 Li 0.11589315504716 0.90280531814480 0.80082581375616 6.941 > 33 34 Li 0.61589315504716 0.90280531814480 0.80082581375616 6.941 > 33 35 Li 0.11589315504716 0.59719468185520 0.30082581375616 6.941 > 35 36 Li 0.61589315504716 0.59719468185520 0.30082581375616 6.941 > 35 37 Li 0.19631179520747 0.07152909501209 0.58930347426069 6.941 > 37 38 Li 0.69631179520747 0.07152909501209 0.58930347426069 6.941 > 37 39 Li 0.19631179520747 0.42847090498791 0.08930347426069 6.941 > 39 40 Li 0.69631179520747 0.42847090498791 0.08930347426069 6.941 > 39 41 Li 0.13244356513174 0.61974419668618 0.79040184520075 6.941 > 41 42 Li 0.63244356513174 0.61974419668618 0.79040184520075 6.941 > 41 43 Li 0.13244356513174 0.88025580331382 0.29040184520075 6.941 > 43 44 Li 0.63244356513174 0.88025580331382 0.29040184520075 6.941 > 43 45 Li 0.20883222988189 0.45089548864740 0.59521314779078 6.941 > 45 46 Li 0.70883222988189 0.45089548864740 0.59521314779078 6.941 > 45 47 Li 0.20883222988189 0.04910451135260 0.09521314779078 6.941 > 47 48 Li 0.70883222988189 0.04910451135260 0.09521314779078 6.941 > 47 49 Sb 0.35646584942840 0.24710330496329 0.95364369479396 121.760 > 49 50 Sb 0.85646584942840 0.24710330496329 0.95364369479396 121.760 > 49 51 Sb 0.35646584942840 0.25289669503671 0.45364369479396 121.760 > 51 52 Sb 0.85646584942840 0.25289669503671 0.45364369479396 121.760 > 51 53 Sb 0.36821611368328 0.76015451394521 0.70922287369836 121.760 > 53 54 Sb 0.86821611368328 0.76015451394521 0.70922287369836 121.760 > 53 55 Sb 0.36821611368328 0.73984548605479 0.20922287369836 121.760 > 55 56 Sb 0.86821611368328 0.73984548605479 0.20922287369836 121.760 > 55 57 Sb 0.13178388631672 0.26015451394521 0.79077712630164 121.760 > 57 58 Sb 0.63178388631672 0.26015451394521 0.79077712630164 121.760 > 57 59 Sb 0.13178388631672 0.23984548605479 0.29077712630164 121.760 > 59 60 Sb 0.63178388631672 0.23984548605479 0.29077712630164 121.760 > 59 61 Sb 0.14353415057160 0.74710330496329 0.54635630520604 121.760 > 61 62 Sb 0.64353415057160 0.74710330496329 0.54635630520604 121.760 > 61 63 Sb 0.14353415057160 0.75289669503671 0.04635630520604 121.760 > 63 64 Sb 0.64353415057160 0.75289669503671 0.04635630520604 121.760 > 63 65 S 0.25248366410542 0.75833518866710 0.80894640193393 32.065 > 65 66 S 0.75248366410542 0.75833518866710 0.80894640193393 32.065 > 65 67 S 0.25248366410542 0.74166481133290 0.30894640193393 32.065 > 67 68 S 0.75248366410542 0.74166481133290 0.30894640193393 32.065 > 67 69 S 0.32250133914544 0.94024617288028 0.59727608308388 32.065 > 69 70 S 0.82250133914544 0.94024617288028 0.59727608308388 32.065 > 69 71 S 0.32250133914544 0.55975382711972 0.09727608308388 32.065 > 71 72 S 0.82250133914544 0.55975382711972 0.09727608308388 32.065 > 71 73 S 0.33486516217048 0.58055041844340 0.58991911161677 32.065 > 73 74 S 0.83486516217048 0.58055041844340 0.58991911161677 32.065 > 73 75 S 0.33486516217048 0.91944958155660 0.08991911161677 32.065 > 75 76 S 0.83486516217048 0.91944958155660 0.08991911161677 32.065 > 75 77 S 0.42127815753321 0.06189203880006 0.87667588571263 32.065 > 77 78 S 0.92127815753321 0.06189203880006 0.87667588571263 32.065 > 77 79 S 0.41919903144346 0.43471517452162 0.87713043550379 32.065 > 79 80 S 0.91919903144346 0.43471517452162 0.87713043550379 32.065 > 79 81 S 0.42127815753321 0.43810796119994 0.37667588571263 32.065 > 81 82 S 0.92127815753321 0.43810796119994 0.37667588571263 32.065 > 81 83 S 0.41919903144346 0.06528482547839 0.37713043550379 32.065 > 83 84 S 0.91919903144346 0.06528482547839 0.37713043550379 32.065 > 83 85 S 0.45816231247772 0.24692891796265 0.60726159087485 32.065 > 85 86 S 0.95816231247772 0.24692891796265 0.60726159087485 32.065 > 85 87 S 0.45816231247772 0.25307108203735 0.10726159087485 32.065 > 87 88 S 0.95816231247772 0.25307108203735 0.10726159087485 32.065 > 87 89 S 0.04183768752228 0.74692891796265 0.89273840912515 32.065 > 89 90 S 0.54183768752228 0.74692891796265 0.89273840912515 32.065 > 89 91 S 0.04183768752228 0.75307108203735 0.39273840912515 32.065 > 91 92 S 0.54183768752228 0.75307108203735 0.39273840912515 32.065 > 91 93 S 0.08080096855654 0.93471517452161 0.62286956449621 32.065 > 93 94 S 0.58080096855654 0.93471517452161 0.62286956449621 32.065 > 93 95 S 0.07872184246679 0.56189203880006 0.62332411428737 32.065 > 95 96 S 0.57872184246679 0.56189203880006 0.62332411428737 32.065 > 95 97 S 0.08080096855654 0.56528482547839 0.12286956449621 32.065 > 97 98 S 0.58080096855654 0.56528482547839 0.12286956449621 32.065 > 97 99 S 0.07872184246679 0.93810796119994 0.12332411428737 32.065 > 99 100 S 0.57872184246679 0.93810796119994 0.12332411428737 32.065 > 99 101 S 0.16513483782952 0.08055041844340 0.91008088838323 32.065 > 101 102 S 0.66513483782952 0.08055041844340 0.91008088838323 32.065 > 101 103 S 0.16513483782952 0.41944958155660 0.41008088838323 32.065 > 103 104 S 0.66513483782952 0.41944958155660 0.41008088838323 32.065 > 103 105 S 0.17749866085456 0.44024617288028 0.90272391691612 32.065 > 105 106 S 0.67749866085456 0.44024617288028 0.90272391691612 32.065 > 105 107 S 0.17749866085456 0.05975382711972 0.40272391691612 32.065 > 107 108 S 0.67749866085456 0.05975382711972 0.40272391691612 32.065 > 107 109 S 0.24751633589458 0.25833518866710 0.69105359806607 32.065 > 109 110 S 0.74751633589458 0.25833518866710 0.69105359806607 32.065 > 109 111 S 0.24751633589458 0.24166481133290 0.19105359806607 32.065 > 111 112 S 0.74751633589458 0.24166481133290 0.19105359806607 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1350263 0.0000000 0.1648803 0.0000000 5.7909639 0.0000000 0.1648824 0.0000000 5.6446155 -------------------------- Born effective charges -------------------------- 1 Li 0.8522583 0.0977591 -0.0800731 -0.0158180 1.1487460 -0.1531356 0.2891139 0.2598806 1.1623804 2 Li 0.8522583 -0.0977591 -0.0800731 0.0158180 1.1487460 0.1531356 0.2891139 -0.2598806 1.1623804 3 Li 0.8675304 -0.0348681 0.0364199 0.0602098 0.9926600 0.2013089 -0.2689539 0.0074636 1.1410440 4 Li 0.8675304 0.0348681 0.0364199 -0.0602098 0.9926600 -0.2013089 -0.2689539 -0.0074636 1.1410440 5 Li 0.8893853 -0.0827769 -0.0735805 -0.0360690 1.1107309 0.1012819 0.2422403 -0.2753360 1.1487786 6 Li 0.8893853 0.0827769 -0.0735805 0.0360690 1.1107309 -0.1012819 0.2422403 0.2753360 1.1487786 7 Li 0.9626079 0.0350089 0.0039720 -0.0216345 1.0806611 -0.2609038 -0.2975403 0.0145457 1.1690057 8 Li 0.9626079 -0.0350089 0.0039720 0.0216345 1.0806611 0.2609038 -0.2975403 -0.0145457 1.1690057 9 Li 1.4103195 -0.2545148 -0.0866254 -0.1409045 0.9540937 -0.2856092 -0.1227204 -0.0001932 0.8320285 10 Li 1.4103195 0.2545148 -0.0866254 0.1409045 0.9540937 0.2856092 -0.1227204 0.0001932 0.8320285 11 Li 1.0728287 -0.0810880 0.0243715 -0.0722404 0.9983590 -0.3228330 -0.1600006 -0.1431421 0.6601385 12 Li 1.0728287 0.0810880 0.0243715 0.0722404 0.9983590 0.3228330 -0.1600006 0.1431421 0.6601385 13 Li 1.0728287 0.0810880 0.0243715 0.0722404 0.9983590 0.3228330 -0.1600006 0.1431421 0.6601385 14 Li 1.0728287 -0.0810880 0.0243715 -0.0722404 0.9983590 -0.3228330 -0.1600006 -0.1431421 0.6601385 15 Li 1.4103195 0.2545148 -0.0866254 0.1409045 0.9540937 0.2856092 -0.1227204 0.0001932 0.8320285 16 Li 1.4103195 -0.2545148 -0.0866254 -0.1409045 0.9540937 -0.2856092 -0.1227204 -0.0001932 0.8320285 17 Li 0.9626079 -0.0350089 0.0039720 0.0216345 1.0806611 0.2609038 -0.2975403 -0.0145457 1.1690057 18 Li 0.9626079 0.0350089 0.0039720 -0.0216345 1.0806611 -0.2609038 -0.2975403 0.0145457 1.1690057 19 Li 0.8893853 0.0827769 -0.0735805 0.0360690 1.1107309 -0.1012819 0.2422403 0.2753360 1.1487786 20 Li 0.8893853 -0.0827769 -0.0735805 -0.0360690 1.1107309 0.1012819 0.2422403 -0.2753360 1.1487786 21 Li 0.8675304 0.0348681 0.0364199 -0.0602098 0.9926600 -0.2013089 -0.2689539 -0.0074636 1.1410440 22 Li 0.8675304 -0.0348681 0.0364199 0.0602098 0.9926600 0.2013089 -0.2689539 0.0074636 1.1410440 23 Li 0.8522583 -0.0977591 -0.0800731 0.0158180 1.1487460 0.1531356 0.2891139 -0.2598806 1.1623804 24 Li 0.8522583 0.0977591 -0.0800731 -0.0158180 1.1487460 -0.1531356 0.2891139 0.2598806 1.1623804 25 Sb 1.8848762 0.0707123 0.2233338 -0.0493505 3.0495359 0.0734752 0.0561044 0.0524641 2.4833515 26 Sb 1.8848762 -0.0707123 0.2233338 0.0493505 3.0495359 -0.0734752 0.0561044 -0.0524641 2.4833515 27 Sb 2.0579380 -0.0171000 -0.2109281 -0.0824820 2.9912175 0.0552902 -0.2032541 0.0917725 2.6085507 28 Sb 2.0579380 0.0171000 -0.2109281 0.0824820 2.9912175 -0.0552902 -0.2032541 -0.0917725 2.6085507 29 Sb 2.0579380 0.0171000 -0.2109281 0.0824820 2.9912175 -0.0552902 -0.2032541 -0.0917725 2.6085507 30 Sb 2.0579380 -0.0171000 -0.2109281 -0.0824820 2.9912175 0.0552902 -0.2032541 0.0917725 2.6085507 31 Sb 1.8848762 -0.0707123 0.2233338 0.0493505 3.0495359 -0.0734752 0.0561044 -0.0524641 2.4833515 32 Sb 1.8848762 0.0707123 0.2233338 -0.0493505 3.0495359 0.0734752 0.0561044 0.0524641 2.4833515 33 S -2.2533079 -0.0255036 0.4514048 -0.0704062 -1.3525942 0.0105952 0.7620849 -0.0593454 -1.8603709 34 S -2.2533079 0.0255036 0.4514048 0.0704062 -1.3525942 -0.0105952 0.7620849 0.0593454 -1.8603709 35 S -1.4423208 -0.0978294 -0.1504243 0.1754693 -2.4886550 0.9269195 -0.3511569 0.7627176 -1.8372908 36 S -1.4423208 0.0978294 -0.1504243 -0.1754693 -2.4886550 -0.9269195 -0.3511569 -0.7627176 -1.8372908 37 S -1.5382180 0.0080089 -0.0751238 -0.3043693 -2.4141841 -1.0110501 -0.3499318 -0.7812508 -2.0214907 38 S -1.5382180 -0.0080089 -0.0751238 0.3043693 -2.4141841 1.0110501 -0.3499318 0.7812508 -2.0214907 39 S -1.4327488 0.1779085 0.0391940 0.5327256 -2.3160481 -0.2885195 0.3173789 -0.5075366 -1.5995774 40 S -1.5786935 -0.2992716 0.1302546 -0.6300109 -2.0958831 0.2787040 0.3979694 0.4589797 -1.6363676 41 S -1.4327488 -0.1779085 0.0391940 -0.5327256 -2.3160481 0.2885195 0.3173789 0.5075366 -1.5995774 42 S -1.5786935 0.2992716 0.1302546 0.6300109 -2.0958831 -0.2787040 0.3979694 -0.4589797 -1.6363676 43 S -1.7524553 -0.0679894 -0.2321954 -0.0798186 -1.6586397 0.0907793 -0.3113340 0.0914990 -2.2501805 44 S -1.7524553 0.0679894 -0.2321954 0.0798186 -1.6586397 -0.0907793 -0.3113340 -0.0914990 -2.2501805 45 S -1.7524553 0.0679894 -0.2321954 0.0798186 -1.6586397 -0.0907793 -0.3113340 -0.0914990 -2.2501805 46 S -1.7524553 -0.0679894 -0.2321954 -0.0798186 -1.6586397 0.0907793 -0.3113340 0.0914990 -2.2501805 47 S -1.5786935 0.2992716 0.1302546 0.6300109 -2.0958831 -0.2787040 0.3979694 -0.4589797 -1.6363676 48 S -1.4327488 -0.1779085 0.0391940 -0.5327256 -2.3160481 0.2885195 0.3173789 0.5075366 -1.5995774 49 S -1.5786935 -0.2992716 0.1302546 -0.6300109 -2.0958831 0.2787040 0.3979694 0.4589797 -1.6363676 50 S -1.4327488 0.1779085 0.0391940 0.5327256 -2.3160481 -0.2885195 0.3173789 -0.5075366 -1.5995774 51 S -1.5382180 -0.0080089 -0.0751238 0.3043693 -2.4141841 1.0110501 -0.3499318 0.7812508 -2.0214907 52 S -1.5382180 0.0080089 -0.0751238 -0.3043693 -2.4141841 -1.0110501 -0.3499318 -0.7812508 -2.0214907 53 S -1.4423208 0.0978294 -0.1504243 -0.1754693 -2.4886550 -0.9269195 -0.3511569 -0.7627176 -1.8372908 54 S -1.4423208 -0.0978294 -0.1504243 0.1754693 -2.4886550 0.9269195 -0.3511569 0.7627176 -1.8372908 55 S -2.2533079 0.0255036 0.4514048 0.0704062 -1.3525942 -0.0105952 0.7620849 0.0593454 -1.8603709 56 S -2.2533079 -0.0255036 0.4514048 -0.0704062 -1.3525942 0.0105952 0.7620849 -0.0593454 -1.8603709 ---------------------------------------------------------------------------- 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 5, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 9, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] 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] [-0.0013 0.0000 0.0099] [ 0.0013 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:07:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:07:35]------------------------- 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 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.208345338105881 0.000000000000000 0.000000000000000 b 0.000000000000000 10.341364100000000 0.000000000000000 c -1.702282372185661 0.000000000000000 13.245556691342747 Atomic positions (fractional): 1 Li 0.58233554023622 0.95089548864740 0.90478685220922 6.941 2 Li 0.58233554023622 0.54910451135260 0.40478685220922 6.941 3 Li 0.73511286973652 0.11974419668618 0.70959815479925 6.941 4 Li 0.73511286973652 0.38025580331382 0.20959815479925 6.941 5 Li 0.60737640958507 0.57152909501209 0.91069652573931 6.941 6 Li 0.60737640958507 0.92847090498791 0.41069652573931 6.941 7 Li 0.76821368990568 0.40280531814480 0.69917418624384 6.941 8 Li 0.76821368990568 0.09719468185520 0.19917418624384 6.941 9 Li 0.91568342986544 0.88397139099985 0.99992696199525 6.941 10 Li 0.91568342986544 0.61602860900015 0.49992696199525 6.941 11 Li 0.89973527826419 0.02011883012193 0.56256967447096 6.941 12 Li 0.89973527826419 0.47988116987807 0.06256967447096 6.941 13 Li 0.10026472173581 0.52011883012193 0.93743032552904 6.941 14 Li 0.10026472173581 0.97988116987807 0.43743032552904 6.941 15 Li 0.08431657013456 0.38397139099985 0.50007303800475 6.941 16 Li 0.08431657013456 0.11602860900015 0.00007303800475 6.941 17 Li 0.23178631009432 0.90280531814480 0.80082581375616 6.941 18 Li 0.23178631009432 0.59719468185520 0.30082581375616 6.941 19 Li 0.39262359041493 0.07152909501209 0.58930347426069 6.941 20 Li 0.39262359041493 0.42847090498791 0.08930347426069 6.941 21 Li 0.26488713026348 0.61974419668618 0.79040184520075 6.941 22 Li 0.26488713026348 0.88025580331382 0.29040184520075 6.941 23 Li 0.41766445976378 0.45089548864740 0.59521314779078 6.941 24 Li 0.41766445976378 0.04910451135260 0.09521314779078 6.941 25 Sb 0.71293169885680 0.24710330496329 0.95364369479396 121.760 26 Sb 0.71293169885680 0.25289669503671 0.45364369479396 121.760 27 Sb 0.73643222736657 0.76015451394521 0.70922287369836 121.760 28 Sb 0.73643222736657 0.73984548605479 0.20922287369836 121.760 29 Sb 0.26356777263343 0.26015451394521 0.79077712630164 121.760 30 Sb 0.26356777263343 0.23984548605479 0.29077712630164 121.760 31 Sb 0.28706830114320 0.74710330496329 0.54635630520604 121.760 32 Sb 0.28706830114320 0.75289669503671 0.04635630520604 121.760 33 S 0.50496732821084 0.75833518866710 0.80894640193393 32.065 34 S 0.50496732821084 0.74166481133290 0.30894640193393 32.065 35 S 0.64500267829088 0.94024617288028 0.59727608308388 32.065 36 S 0.64500267829088 0.55975382711972 0.09727608308388 32.065 37 S 0.66973032434096 0.58055041844340 0.58991911161677 32.065 38 S 0.66973032434096 0.91944958155660 0.08991911161677 32.065 39 S 0.84255631506643 0.06189203880006 0.87667588571263 32.065 40 S 0.83839806288693 0.43471517452162 0.87713043550379 32.065 41 S 0.84255631506643 0.43810796119994 0.37667588571263 32.065 42 S 0.83839806288693 0.06528482547839 0.37713043550379 32.065 43 S 0.91632462495545 0.24692891796265 0.60726159087485 32.065 44 S 0.91632462495545 0.25307108203735 0.10726159087485 32.065 45 S 0.08367537504455 0.74692891796265 0.89273840912515 32.065 46 S 0.08367537504455 0.75307108203735 0.39273840912515 32.065 47 S 0.16160193711307 0.93471517452161 0.62286956449621 32.065 48 S 0.15744368493357 0.56189203880006 0.62332411428737 32.065 49 S 0.16160193711307 0.56528482547839 0.12286956449621 32.065 50 S 0.15744368493357 0.93810796119994 0.12332411428737 32.065 51 S 0.33026967565904 0.08055041844340 0.91008088838323 32.065 52 S 0.33026967565904 0.41944958155660 0.41008088838323 32.065 53 S 0.35499732170912 0.44024617288028 0.90272391691612 32.065 54 S 0.35499732170912 0.05975382711972 0.40272391691612 32.065 55 S 0.49503267178916 0.25833518866710 0.69105359806607 32.065 56 S 0.49503267178916 0.24166481133290 0.19105359806607 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.416690676211761 0.000000000000000 0.000000000000000 b 0.000000000000000 10.341364100000000 0.000000000000000 c -1.702282372185661 0.000000000000000 13.245556691342747 Atomic positions (fractional): 1 Li 0.29116777011811 0.95089548864740 0.90478685220922 6.941 > 1 2 Li 0.79116777011811 0.95089548864740 0.90478685220922 6.941 > 1 3 Li 0.29116777011811 0.54910451135260 0.40478685220922 6.941 > 3 4 Li 0.79116777011811 0.54910451135260 0.40478685220922 6.941 > 3 5 Li 0.36755643486826 0.11974419668618 0.70959815479925 6.941 > 5 6 Li 0.86755643486826 0.11974419668618 0.70959815479925 6.941 > 5 7 Li 0.36755643486826 0.38025580331382 0.20959815479925 6.941 > 7 8 Li 0.86755643486826 0.38025580331382 0.20959815479925 6.941 > 7 9 Li 0.30368820479253 0.57152909501209 0.91069652573931 6.941 > 9 10 Li 0.80368820479253 0.57152909501209 0.91069652573931 6.941 > 9 11 Li 0.30368820479253 0.92847090498791 0.41069652573931 6.941 > 11 12 Li 0.80368820479253 0.92847090498791 0.41069652573931 6.941 > 11 13 Li 0.38410684495284 0.40280531814480 0.69917418624384 6.941 > 13 14 Li 0.88410684495284 0.40280531814480 0.69917418624384 6.941 > 13 15 Li 0.38410684495284 0.09719468185520 0.19917418624384 6.941 > 15 16 Li 0.88410684495284 0.09719468185520 0.19917418624384 6.941 > 15 17 Li 0.45784171493272 0.88397139099985 0.99992696199525 6.941 > 17 18 Li 0.95784171493272 0.88397139099985 0.99992696199525 6.941 > 17 19 Li 0.45784171493272 0.61602860900015 0.49992696199525 6.941 > 19 20 Li 0.95784171493272 0.61602860900015 0.49992696199525 6.941 > 19 21 Li 0.44986763913209 0.02011883012193 0.56256967447096 6.941 > 21 22 Li 0.94986763913209 0.02011883012193 0.56256967447096 6.941 > 21 23 Li 0.44986763913209 0.47988116987807 0.06256967447096 6.941 > 23 24 Li 0.94986763913209 0.47988116987807 0.06256967447096 6.941 > 23 25 Li 0.05013236086791 0.52011883012193 0.93743032552904 6.941 > 25 26 Li 0.55013236086791 0.52011883012193 0.93743032552904 6.941 > 25 27 Li 0.05013236086791 0.97988116987807 0.43743032552904 6.941 > 27 28 Li 0.55013236086791 0.97988116987807 0.43743032552904 6.941 > 27 29 Li 0.04215828506728 0.38397139099985 0.50007303800475 6.941 > 29 30 Li 0.54215828506728 0.38397139099985 0.50007303800475 6.941 > 29 31 Li 0.04215828506728 0.11602860900015 0.00007303800475 6.941 > 31 32 Li 0.54215828506728 0.11602860900015 0.00007303800475 6.941 > 31 33 Li 0.11589315504716 0.90280531814480 0.80082581375616 6.941 > 33 34 Li 0.61589315504716 0.90280531814480 0.80082581375616 6.941 > 33 35 Li 0.11589315504716 0.59719468185520 0.30082581375616 6.941 > 35 36 Li 0.61589315504716 0.59719468185520 0.30082581375616 6.941 > 35 37 Li 0.19631179520747 0.07152909501209 0.58930347426069 6.941 > 37 38 Li 0.69631179520747 0.07152909501209 0.58930347426069 6.941 > 37 39 Li 0.19631179520747 0.42847090498791 0.08930347426069 6.941 > 39 40 Li 0.69631179520747 0.42847090498791 0.08930347426069 6.941 > 39 41 Li 0.13244356513174 0.61974419668618 0.79040184520075 6.941 > 41 42 Li 0.63244356513174 0.61974419668618 0.79040184520075 6.941 > 41 43 Li 0.13244356513174 0.88025580331382 0.29040184520075 6.941 > 43 44 Li 0.63244356513174 0.88025580331382 0.29040184520075 6.941 > 43 45 Li 0.20883222988189 0.45089548864740 0.59521314779078 6.941 > 45 46 Li 0.70883222988189 0.45089548864740 0.59521314779078 6.941 > 45 47 Li 0.20883222988189 0.04910451135260 0.09521314779078 6.941 > 47 48 Li 0.70883222988189 0.04910451135260 0.09521314779078 6.941 > 47 49 Sb 0.35646584942840 0.24710330496329 0.95364369479396 121.760 > 49 50 Sb 0.85646584942840 0.24710330496329 0.95364369479396 121.760 > 49 51 Sb 0.35646584942840 0.25289669503671 0.45364369479396 121.760 > 51 52 Sb 0.85646584942840 0.25289669503671 0.45364369479396 121.760 > 51 53 Sb 0.36821611368328 0.76015451394521 0.70922287369836 121.760 > 53 54 Sb 0.86821611368328 0.76015451394521 0.70922287369836 121.760 > 53 55 Sb 0.36821611368328 0.73984548605479 0.20922287369836 121.760 > 55 56 Sb 0.86821611368328 0.73984548605479 0.20922287369836 121.760 > 55 57 Sb 0.13178388631672 0.26015451394521 0.79077712630164 121.760 > 57 58 Sb 0.63178388631672 0.26015451394521 0.79077712630164 121.760 > 57 59 Sb 0.13178388631672 0.23984548605479 0.29077712630164 121.760 > 59 60 Sb 0.63178388631672 0.23984548605479 0.29077712630164 121.760 > 59 61 Sb 0.14353415057160 0.74710330496329 0.54635630520604 121.760 > 61 62 Sb 0.64353415057160 0.74710330496329 0.54635630520604 121.760 > 61 63 Sb 0.14353415057160 0.75289669503671 0.04635630520604 121.760 > 63 64 Sb 0.64353415057160 0.75289669503671 0.04635630520604 121.760 > 63 65 S 0.25248366410542 0.75833518866710 0.80894640193393 32.065 > 65 66 S 0.75248366410542 0.75833518866710 0.80894640193393 32.065 > 65 67 S 0.25248366410542 0.74166481133290 0.30894640193393 32.065 > 67 68 S 0.75248366410542 0.74166481133290 0.30894640193393 32.065 > 67 69 S 0.32250133914544 0.94024617288028 0.59727608308388 32.065 > 69 70 S 0.82250133914544 0.94024617288028 0.59727608308388 32.065 > 69 71 S 0.32250133914544 0.55975382711972 0.09727608308388 32.065 > 71 72 S 0.82250133914544 0.55975382711972 0.09727608308388 32.065 > 71 73 S 0.33486516217048 0.58055041844340 0.58991911161677 32.065 > 73 74 S 0.83486516217048 0.58055041844340 0.58991911161677 32.065 > 73 75 S 0.33486516217048 0.91944958155660 0.08991911161677 32.065 > 75 76 S 0.83486516217048 0.91944958155660 0.08991911161677 32.065 > 75 77 S 0.42127815753321 0.06189203880006 0.87667588571263 32.065 > 77 78 S 0.92127815753321 0.06189203880006 0.87667588571263 32.065 > 77 79 S 0.41919903144346 0.43471517452162 0.87713043550379 32.065 > 79 80 S 0.91919903144346 0.43471517452162 0.87713043550379 32.065 > 79 81 S 0.42127815753321 0.43810796119994 0.37667588571263 32.065 > 81 82 S 0.92127815753321 0.43810796119994 0.37667588571263 32.065 > 81 83 S 0.41919903144346 0.06528482547839 0.37713043550379 32.065 > 83 84 S 0.91919903144346 0.06528482547839 0.37713043550379 32.065 > 83 85 S 0.45816231247772 0.24692891796265 0.60726159087485 32.065 > 85 86 S 0.95816231247772 0.24692891796265 0.60726159087485 32.065 > 85 87 S 0.45816231247772 0.25307108203735 0.10726159087485 32.065 > 87 88 S 0.95816231247772 0.25307108203735 0.10726159087485 32.065 > 87 89 S 0.04183768752228 0.74692891796265 0.89273840912515 32.065 > 89 90 S 0.54183768752228 0.74692891796265 0.89273840912515 32.065 > 89 91 S 0.04183768752228 0.75307108203735 0.39273840912515 32.065 > 91 92 S 0.54183768752228 0.75307108203735 0.39273840912515 32.065 > 91 93 S 0.08080096855654 0.93471517452161 0.62286956449621 32.065 > 93 94 S 0.58080096855654 0.93471517452161 0.62286956449621 32.065 > 93 95 S 0.07872184246679 0.56189203880006 0.62332411428737 32.065 > 95 96 S 0.57872184246679 0.56189203880006 0.62332411428737 32.065 > 95 97 S 0.08080096855654 0.56528482547839 0.12286956449621 32.065 > 97 98 S 0.58080096855654 0.56528482547839 0.12286956449621 32.065 > 97 99 S 0.07872184246679 0.93810796119994 0.12332411428737 32.065 > 99 100 S 0.57872184246679 0.93810796119994 0.12332411428737 32.065 > 99 101 S 0.16513483782952 0.08055041844340 0.91008088838323 32.065 > 101 102 S 0.66513483782952 0.08055041844340 0.91008088838323 32.065 > 101 103 S 0.16513483782952 0.41944958155660 0.41008088838323 32.065 > 103 104 S 0.66513483782952 0.41944958155660 0.41008088838323 32.065 > 103 105 S 0.17749866085456 0.44024617288028 0.90272391691612 32.065 > 105 106 S 0.67749866085456 0.44024617288028 0.90272391691612 32.065 > 105 107 S 0.17749866085456 0.05975382711972 0.40272391691612 32.065 > 107 108 S 0.67749866085456 0.05975382711972 0.40272391691612 32.065 > 107 109 S 0.24751633589458 0.25833518866710 0.69105359806607 32.065 > 109 110 S 0.74751633589458 0.25833518866710 0.69105359806607 32.065 > 109 111 S 0.24751633589458 0.24166481133290 0.19105359806607 32.065 > 111 112 S 0.74751633589458 0.24166481133290 0.19105359806607 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1350263 0.0000000 0.1648803 0.0000000 5.7909639 0.0000000 0.1648824 0.0000000 5.6446155 -------------------------- Born effective charges -------------------------- 1 Li 0.8522583 0.0977591 -0.0800731 -0.0158180 1.1487460 -0.1531356 0.2891139 0.2598806 1.1623804 2 Li 0.8522583 -0.0977591 -0.0800731 0.0158180 1.1487460 0.1531356 0.2891139 -0.2598806 1.1623804 3 Li 0.8675304 -0.0348681 0.0364199 0.0602098 0.9926600 0.2013089 -0.2689539 0.0074636 1.1410440 4 Li 0.8675304 0.0348681 0.0364199 -0.0602098 0.9926600 -0.2013089 -0.2689539 -0.0074636 1.1410440 5 Li 0.8893853 -0.0827769 -0.0735805 -0.0360690 1.1107309 0.1012819 0.2422403 -0.2753360 1.1487786 6 Li 0.8893853 0.0827769 -0.0735805 0.0360690 1.1107309 -0.1012819 0.2422403 0.2753360 1.1487786 7 Li 0.9626079 0.0350089 0.0039720 -0.0216345 1.0806611 -0.2609038 -0.2975403 0.0145457 1.1690057 8 Li 0.9626079 -0.0350089 0.0039720 0.0216345 1.0806611 0.2609038 -0.2975403 -0.0145457 1.1690057 9 Li 1.4103195 -0.2545148 -0.0866254 -0.1409045 0.9540937 -0.2856092 -0.1227204 -0.0001932 0.8320285 10 Li 1.4103195 0.2545148 -0.0866254 0.1409045 0.9540937 0.2856092 -0.1227204 0.0001932 0.8320285 11 Li 1.0728287 -0.0810880 0.0243715 -0.0722404 0.9983590 -0.3228330 -0.1600006 -0.1431421 0.6601385 12 Li 1.0728287 0.0810880 0.0243715 0.0722404 0.9983590 0.3228330 -0.1600006 0.1431421 0.6601385 13 Li 1.0728287 0.0810880 0.0243715 0.0722404 0.9983590 0.3228330 -0.1600006 0.1431421 0.6601385 14 Li 1.0728287 -0.0810880 0.0243715 -0.0722404 0.9983590 -0.3228330 -0.1600006 -0.1431421 0.6601385 15 Li 1.4103195 0.2545148 -0.0866254 0.1409045 0.9540937 0.2856092 -0.1227204 0.0001932 0.8320285 16 Li 1.4103195 -0.2545148 -0.0866254 -0.1409045 0.9540937 -0.2856092 -0.1227204 -0.0001932 0.8320285 17 Li 0.9626079 -0.0350089 0.0039720 0.0216345 1.0806611 0.2609038 -0.2975403 -0.0145457 1.1690057 18 Li 0.9626079 0.0350089 0.0039720 -0.0216345 1.0806611 -0.2609038 -0.2975403 0.0145457 1.1690057 19 Li 0.8893853 0.0827769 -0.0735805 0.0360690 1.1107309 -0.1012819 0.2422403 0.2753360 1.1487786 20 Li 0.8893853 -0.0827769 -0.0735805 -0.0360690 1.1107309 0.1012819 0.2422403 -0.2753360 1.1487786 21 Li 0.8675304 0.0348681 0.0364199 -0.0602098 0.9926600 -0.2013089 -0.2689539 -0.0074636 1.1410440 22 Li 0.8675304 -0.0348681 0.0364199 0.0602098 0.9926600 0.2013089 -0.2689539 0.0074636 1.1410440 23 Li 0.8522583 -0.0977591 -0.0800731 0.0158180 1.1487460 0.1531356 0.2891139 -0.2598806 1.1623804 24 Li 0.8522583 0.0977591 -0.0800731 -0.0158180 1.1487460 -0.1531356 0.2891139 0.2598806 1.1623804 25 Sb 1.8848762 0.0707123 0.2233338 -0.0493505 3.0495359 0.0734752 0.0561044 0.0524641 2.4833515 26 Sb 1.8848762 -0.0707123 0.2233338 0.0493505 3.0495359 -0.0734752 0.0561044 -0.0524641 2.4833515 27 Sb 2.0579380 -0.0171000 -0.2109281 -0.0824820 2.9912175 0.0552902 -0.2032541 0.0917725 2.6085507 28 Sb 2.0579380 0.0171000 -0.2109281 0.0824820 2.9912175 -0.0552902 -0.2032541 -0.0917725 2.6085507 29 Sb 2.0579380 0.0171000 -0.2109281 0.0824820 2.9912175 -0.0552902 -0.2032541 -0.0917725 2.6085507 30 Sb 2.0579380 -0.0171000 -0.2109281 -0.0824820 2.9912175 0.0552902 -0.2032541 0.0917725 2.6085507 31 Sb 1.8848762 -0.0707123 0.2233338 0.0493505 3.0495359 -0.0734752 0.0561044 -0.0524641 2.4833515 32 Sb 1.8848762 0.0707123 0.2233338 -0.0493505 3.0495359 0.0734752 0.0561044 0.0524641 2.4833515 33 S -2.2533079 -0.0255036 0.4514048 -0.0704062 -1.3525942 0.0105952 0.7620849 -0.0593454 -1.8603709 34 S -2.2533079 0.0255036 0.4514048 0.0704062 -1.3525942 -0.0105952 0.7620849 0.0593454 -1.8603709 35 S -1.4423208 -0.0978294 -0.1504243 0.1754693 -2.4886550 0.9269195 -0.3511569 0.7627176 -1.8372908 36 S -1.4423208 0.0978294 -0.1504243 -0.1754693 -2.4886550 -0.9269195 -0.3511569 -0.7627176 -1.8372908 37 S -1.5382180 0.0080089 -0.0751238 -0.3043693 -2.4141841 -1.0110501 -0.3499318 -0.7812508 -2.0214907 38 S -1.5382180 -0.0080089 -0.0751238 0.3043693 -2.4141841 1.0110501 -0.3499318 0.7812508 -2.0214907 39 S -1.4327488 0.1779085 0.0391940 0.5327256 -2.3160481 -0.2885195 0.3173789 -0.5075366 -1.5995774 40 S -1.5786935 -0.2992716 0.1302546 -0.6300109 -2.0958831 0.2787040 0.3979694 0.4589797 -1.6363676 41 S -1.4327488 -0.1779085 0.0391940 -0.5327256 -2.3160481 0.2885195 0.3173789 0.5075366 -1.5995774 42 S -1.5786935 0.2992716 0.1302546 0.6300109 -2.0958831 -0.2787040 0.3979694 -0.4589797 -1.6363676 43 S -1.7524553 -0.0679894 -0.2321954 -0.0798186 -1.6586397 0.0907793 -0.3113340 0.0914990 -2.2501805 44 S -1.7524553 0.0679894 -0.2321954 0.0798186 -1.6586397 -0.0907793 -0.3113340 -0.0914990 -2.2501805 45 S -1.7524553 0.0679894 -0.2321954 0.0798186 -1.6586397 -0.0907793 -0.3113340 -0.0914990 -2.2501805 46 S -1.7524553 -0.0679894 -0.2321954 -0.0798186 -1.6586397 0.0907793 -0.3113340 0.0914990 -2.2501805 47 S -1.5786935 0.2992716 0.1302546 0.6300109 -2.0958831 -0.2787040 0.3979694 -0.4589797 -1.6363676 48 S -1.4327488 -0.1779085 0.0391940 -0.5327256 -2.3160481 0.2885195 0.3173789 0.5075366 -1.5995774 49 S -1.5786935 -0.2992716 0.1302546 -0.6300109 -2.0958831 0.2787040 0.3979694 0.4589797 -1.6363676 50 S -1.4327488 0.1779085 0.0391940 0.5327256 -2.3160481 -0.2885195 0.3173789 -0.5075366 -1.5995774 51 S -1.5382180 -0.0080089 -0.0751238 0.3043693 -2.4141841 1.0110501 -0.3499318 0.7812508 -2.0214907 52 S -1.5382180 0.0080089 -0.0751238 -0.3043693 -2.4141841 -1.0110501 -0.3499318 -0.7812508 -2.0214907 53 S -1.4423208 0.0978294 -0.1504243 -0.1754693 -2.4886550 -0.9269195 -0.3511569 -0.7627176 -1.8372908 54 S -1.4423208 -0.0978294 -0.1504243 0.1754693 -2.4886550 0.9269195 -0.3511569 0.7627176 -1.8372908 55 S -2.2533079 0.0255036 0.4514048 0.0704062 -1.3525942 -0.0105952 0.7620849 0.0593454 -1.8603709 56 S -2.2533079 -0.0255036 0.4514048 -0.0704062 -1.3525942 0.0105952 0.7620849 -0.0593454 -1.8603709 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.40, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.175 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.423 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.560 ( 0.000 0.000 0.000) 0.000 1.737 ( 0.000 0.000 0.000) 0.000 1.764 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 2.068 ( 0.000 0.000 0.000) 0.000 2.122 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.249 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.684 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.851 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.972 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.186 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.303 ( 0.000 0.000 0.000) 0.000 3.349 ( 0.000 0.000 0.000) 0.000 3.411 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.878 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.075 ( 0.000 0.000 0.000) 0.000 4.078 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.401 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.705 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.060 ( 0.000 0.000 0.000) 0.000 5.073 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.186 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.433 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.560 ( 0.000 0.000 0.000) 0.000 5.781 ( 0.000 0.000 0.000) 0.000 5.939 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.132 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.582 ( 0.000 0.000 0.000) 0.000 6.656 ( 0.000 0.000 0.000) 0.000 6.771 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.860 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.268 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.577 ( 0.000 0.000 0.000) 0.000 7.751 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.851 ( 0.000 0.000 0.000) 0.000 7.963 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 0.000) 0.000 8.118 ( 0.000 0.000 0.000) 0.000 8.136 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.276 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.404 ( 0.000 0.000 0.000) 0.000 8.551 ( 0.000 0.000 0.000) 0.000 8.594 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 8.669 ( 0.000 0.000 0.000) 0.000 8.719 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.883 ( 0.000 0.000 0.000) 0.000 8.963 ( 0.000 0.000 0.000) 0.000 9.046 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.157 ( 0.000 0.000 0.000) 0.000 9.185 ( 0.000 0.000 0.000) 0.000 9.217 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.309 ( 0.000 0.000 0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.463 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.571 ( 0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 9.716 ( 0.000 0.000 0.000) 0.000 9.785 ( 0.000 0.000 0.000) 0.000 9.825 ( 0.000 0.000 0.000) 0.000 9.906 ( 0.000 0.000 0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 10.170 ( 0.000 0.000 0.000) 0.000 10.291 ( 0.000 0.000 0.000) 0.000 10.333 ( 0.000 0.000 0.000) 0.000 10.363 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 10.513 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 0.000 0.000) 0.000 10.709 ( 0.000 0.000 0.000) 0.000 10.732 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 10.866 ( 0.000 0.000 0.000) 0.000 10.868 ( 0.000 0.000 0.000) 0.000 10.869 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.109 ( 0.000 0.000 0.000) 0.000 11.156 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.361 ( 0.000 0.000 0.000) 0.000 11.383 ( 0.000 0.000 0.000) 0.000 11.419 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 11.640 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.678 ( 0.000 0.000 0.000) 0.000 11.821 ( 0.000 0.000 0.000) 0.000 11.830 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 0.000) 0.000 12.077 ( 0.000 0.000 0.000) 0.000 12.083 ( 0.000 0.000 0.000) 0.000 12.220 ( 0.000 0.000 0.000) 0.000 12.228 ( 0.000 0.000 0.000) 0.000 12.341 ( 0.000 0.000 0.000) 0.000 12.471 ( 0.000 0.000 0.000) 0.000 12.562 ( 0.000 0.000 0.000) 0.000 12.582 ( 0.000 0.000 0.000) 0.000 12.644 ( 0.000 0.000 0.000) 0.000 12.719 ( 0.000 0.000 0.000) 0.000 13.063 ( 0.000 0.000 0.000) 0.000 13.655 ( 0.000 0.000 0.000) 0.000 13.779 ( 0.000 0.000 0.000) 0.000 15.272 ( 0.000 0.000 0.000) 0.000 15.276 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 16.877 0.000 4.534) 17.475 0.402 ( 18.657 0.000 3.739) 19.028 0.691 ( 29.934 0.000 7.302) 30.812 1.157 ( 3.024 0.000 3.412) 4.559 1.227 ( 4.718 0.000 -1.697) 5.014 1.395 ( 4.218 0.000 0.626) 4.264 1.480 ( 5.013 0.000 -8.913) 10.226 1.493 ( 1.599 0.000 -1.380) 2.112 1.607 ( 4.296 0.000 10.021) 10.903 1.708 ( -4.531 0.000 -1.852) 4.895 1.717 ( -3.198 0.000 1.106) 3.384 1.775 ( -3.629 0.000 -1.452) 3.909 1.780 ( -1.755 0.000 -1.099) 2.071 1.890 ( 0.916 0.000 -2.794) 2.941 1.938 ( -1.535 0.000 -1.077) 1.875 1.973 ( -1.359 0.000 0.839) 1.597 2.005 ( 1.243 0.000 2.586) 2.869 2.077 ( 1.398 0.000 -1.270) 1.889 2.143 ( 1.153 0.000 3.028) 3.240 2.186 ( 0.494 0.000 -0.509) 0.710 2.268 ( 0.948 0.000 -1.373) 1.668 2.275 ( 10.140 0.000 -3.738) 10.807 2.444 ( -1.952 0.000 -5.047) 5.411 2.488 ( 1.439 0.000 -0.428) 1.501 2.523 ( -0.984 0.000 4.048) 4.166 2.526 ( 2.621 0.000 1.308) 2.929 2.692 ( 0.643 0.000 3.768) 3.823 2.863 ( 4.691 0.000 -1.431) 4.905 2.866 ( 2.227 0.000 -1.256) 2.557 2.929 ( -0.428 0.000 -1.216) 1.289 3.012 ( 3.496 0.000 2.345) 4.209 3.139 ( -6.042 0.000 7.618) 9.723 3.227 ( -0.463 0.000 -9.316) 9.328 3.227 ( 3.663 0.000 -3.981) 5.410 3.343 ( -1.085 0.000 4.339) 4.472 3.372 ( 2.594 0.000 2.806) 3.821 3.431 ( 2.199 0.000 -2.298) 3.181 3.554 ( -5.246 0.000 3.197) 6.143 3.626 ( -1.929 0.000 -2.862) 3.451 3.790 ( -1.883 0.000 0.141) 1.888 3.861 ( -7.820 0.000 5.682) 9.666 3.922 ( 5.252 0.000 -6.308) 8.209 3.939 ( -5.003 0.000 1.831) 5.328 4.083 ( 3.441 0.000 -0.563) 3.487 4.099 ( 2.576 0.000 -0.307) 2.595 4.159 ( 4.583 0.000 -9.528) 10.573 4.343 ( -2.704 0.000 3.959) 4.794 4.416 ( 1.770 0.000 -0.921) 1.996 4.487 ( 3.784 0.000 -1.625) 4.118 4.610 ( -0.446 0.000 3.452) 3.481 4.617 ( 0.763 0.000 -0.443) 0.883 4.689 ( -1.426 0.000 -7.097) 7.239 4.712 ( 0.266 0.000 -0.424) 0.501 4.775 ( -4.859 0.000 -0.336) 4.871 4.777 ( 4.810 0.000 -0.579) 4.844 4.933 ( 5.433 0.000 2.306) 5.902 4.971 ( -3.338 0.000 0.937) 3.468 5.041 ( -1.110 0.000 -2.224) 2.486 5.180 ( 3.047 0.000 -1.650) 3.465 5.224 ( 2.031 0.000 1.051) 2.287 5.238 ( 4.789 0.000 8.145) 9.448 5.255 ( 1.640 0.000 1.930) 2.533 5.279 ( 2.439 0.000 0.436) 2.477 5.443 ( 1.286 0.000 -0.451) 1.363 5.484 ( 0.631 0.000 1.873) 1.977 5.580 ( 2.800 0.000 -4.598) 5.384 5.783 ( 0.262 0.000 0.519) 0.581 5.941 ( 0.504 0.000 -2.569) 2.618 5.996 ( -2.445 0.000 1.112) 2.686 6.064 ( -6.386 0.000 3.089) 7.094 6.143 ( -2.678 0.000 0.842) 2.807 6.276 ( -4.569 0.000 -5.579) 7.211 6.520 ( -2.862 0.000 -0.276) 2.875 6.579 ( -6.654 0.000 -0.720) 6.693 6.626 ( -0.364 0.000 -0.311) 0.479 6.784 ( -2.722 0.000 -1.756) 3.239 6.803 ( 1.732 0.000 3.263) 3.694 6.890 ( 0.124 0.000 -1.417) 1.423 7.147 ( 1.981 0.000 -0.633) 2.079 7.293 ( 2.343 0.000 1.035) 2.562 7.429 ( -3.511 0.000 -2.434) 4.272 7.525 ( -0.515 0.000 0.201) 0.553 7.547 ( 2.921 0.000 2.966) 4.163 7.594 ( -0.408 0.000 -5.317) 5.333 7.751 ( -1.082 0.000 -4.465) 4.594 7.829 ( -1.324 0.000 -0.929) 1.617 7.881 ( 1.223 0.000 2.647) 2.916 7.953 ( -1.089 0.000 -0.080) 1.092 8.053 ( -5.214 0.000 2.189) 5.655 8.089 ( -2.356 0.000 -0.792) 2.486 8.104 ( -1.779 0.000 2.513) 3.078 8.148 ( 0.340 0.000 -1.224) 1.270 8.219 ( 0.844 0.000 -0.306) 0.898 8.304 ( 2.386 0.000 1.094) 2.625 8.385 ( -0.161 0.000 3.014) 3.019 8.423 ( 1.525 0.000 0.360) 1.567 8.555 ( 0.467 0.000 0.586) 0.750 8.597 ( 0.235 0.000 -0.027) 0.237 8.645 ( -1.618 0.000 -1.354) 2.110 8.663 ( -0.466 0.000 -1.798) 1.857 8.721 ( 0.061 0.000 1.177) 1.179 8.743 ( -2.255 0.000 0.023) 2.255 8.795 ( 3.865 0.000 0.675) 3.923 8.803 ( 4.287 0.000 -2.949) 5.204 8.927 ( 4.133 0.000 -0.257) 4.141 8.986 ( -0.724 0.000 -2.428) 2.534 9.069 ( 1.007 0.000 -3.620) 3.757 9.127 ( 0.655 0.000 0.896) 1.110 9.173 ( 2.170 0.000 -1.674) 2.741 9.189 ( -2.671 0.000 -1.403) 3.017 9.220 ( 2.441 0.000 3.386) 4.174 9.276 ( -2.449 0.000 1.121) 2.693 9.305 ( 0.683 0.000 -0.234) 0.722 9.378 ( -2.767 0.000 -0.979) 2.935 9.453 ( -1.455 0.000 0.027) 1.455 9.459 ( -0.326 0.000 -1.411) 1.448 9.544 ( -1.873 0.000 -0.693) 1.997 9.564 ( -5.840 0.000 0.827) 5.898 9.751 ( 2.969 0.000 -0.610) 3.031 9.768 ( -0.283 0.000 -1.196) 1.229 9.797 ( 0.620 0.000 1.967) 2.062 9.806 ( -1.672 0.000 -1.839) 2.485 9.925 ( -3.597 0.000 2.854) 4.592 10.056 ( -3.859 0.000 -0.360) 3.876 10.177 ( 4.362 0.000 1.086) 4.495 10.221 ( 0.462 0.000 -2.436) 2.479 10.271 ( -1.681 0.000 0.626) 1.794 10.343 ( -3.288 0.000 0.643) 3.350 10.448 ( -5.251 0.000 -8.452) 9.950 10.500 ( -1.902 0.000 -0.233) 1.917 10.513 ( 0.080 0.000 -0.705) 0.710 10.534 ( -5.856 0.000 -0.469) 5.875 10.751 ( -1.059 0.000 -0.872) 1.371 10.760 ( -7.255 0.000 1.951) 7.512 10.792 ( -0.702 0.000 1.398) 1.565 10.842 ( 2.825 0.000 0.039) 2.825 10.927 ( 2.531 0.000 0.784) 2.650 10.993 ( 3.031 0.000 -2.922) 4.210 11.093 ( 6.463 0.000 -3.716) 7.455 11.182 ( 2.795 0.000 -1.293) 3.079 11.220 ( 1.012 0.000 -0.149) 1.023 11.303 ( -3.683 0.000 -3.298) 4.943 11.338 ( 0.508 0.000 1.582) 1.662 11.398 ( 2.647 0.000 -5.580) 6.176 11.483 ( 0.241 0.000 -1.843) 1.859 11.499 ( 4.724 0.000 -0.201) 4.728 11.596 ( 2.669 0.000 -2.858) 3.910 11.636 ( -0.867 0.000 0.261) 0.906 11.646 ( -1.236 0.000 -1.048) 1.621 11.685 ( 1.198 0.000 -2.517) 2.787 11.817 ( 0.140 0.000 2.473) 2.477 11.964 ( 0.917 0.000 1.323) 1.610 12.016 ( -3.922 0.000 14.251) 14.780 12.080 ( -0.271 0.000 -1.718) 1.739 12.094 ( 1.413 0.000 -8.955) 9.066 12.191 ( -2.294 0.000 -1.242) 2.609 12.226 ( -0.302 0.000 -0.465) 0.554 12.363 ( 1.791 0.000 1.941) 2.641 12.463 ( -5.398 0.000 -0.743) 5.449 12.516 ( -5.967 0.000 5.593) 8.179 12.545 ( -1.459 0.000 10.760) 10.859 12.697 ( -1.019 0.000 -0.844) 1.323 12.723 ( 3.354 0.000 1.301) 3.597 13.057 ( -0.053 0.000 -0.792) 0.794 13.829 ( 4.155 0.000 0.745) 4.222 13.995 ( -0.416 0.000 -0.120) 0.433 15.290 ( 1.617 0.000 0.192) 1.628 15.298 ( 1.971 0.000 -0.428) 2.017 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 12.201 0.000 3.265) 12.631 0.758 ( 14.978 0.000 2.078) 15.121 1.080 ( 4.156 0.000 0.652) 4.207 1.324 ( 7.224 0.000 -1.094) 7.306 1.380 ( 15.864 0.000 4.289) 16.434 1.479 ( 2.654 0.000 2.473) 3.628 1.528 ( 1.464 0.000 -4.834) 5.051 1.533 ( 2.799 0.000 -1.702) 3.276 1.595 ( -6.027 0.000 2.763) 6.630 1.620 ( -4.737 0.000 1.759) 5.053 1.683 ( -3.179 0.000 -2.580) 4.094 1.772 ( 7.340 0.000 -0.027) 7.340 1.774 ( 1.458 0.000 0.996) 1.766 1.892 ( -1.237 0.000 -1.509) 1.951 1.909 ( -0.028 0.000 -1.551) 1.551 1.953 ( -1.382 0.000 2.736) 3.065 2.030 ( 1.031 0.000 -0.309) 1.076 2.101 ( 0.816 0.000 -1.115) 1.382 2.160 ( -1.062 0.000 2.879) 3.068 2.193 ( -0.344 0.000 0.295) 0.453 2.272 ( 0.409 0.000 -1.188) 1.256 2.373 ( -0.325 0.000 -4.626) 4.638 2.459 ( -0.848 0.000 1.223) 1.488 2.518 ( 1.361 0.000 -0.451) 1.434 2.539 ( 6.918 0.000 -1.926) 7.181 2.583 ( 2.178 0.000 0.883) 2.350 2.726 ( 1.088 0.000 6.384) 6.476 2.879 ( -2.854 0.000 -4.732) 5.526 2.942 ( 0.118 0.000 -0.655) 0.665 2.951 ( 5.834 0.000 -2.740) 6.445 3.049 ( 1.132 0.000 0.829) 1.403 3.125 ( 4.000 0.000 8.467) 9.364 3.214 ( 1.344 0.000 -6.806) 6.938 3.246 ( -3.125 0.000 1.144) 3.327 3.366 ( 3.228 0.000 0.376) 3.250 3.397 ( -5.558 0.000 3.261) 6.444 3.435 ( -1.234 0.000 2.659) 2.931 3.494 ( 4.615 0.000 -2.207) 5.115 3.587 ( -0.363 0.000 -3.728) 3.746 3.715 ( -6.365 0.000 -0.221) 6.369 3.730 ( -4.055 0.000 1.084) 4.198 3.830 ( -6.582 0.000 1.083) 6.670 4.041 ( 7.449 0.000 -8.141) 11.034 4.177 ( 4.260 0.000 -0.579) 4.299 4.185 ( 6.637 0.000 1.329) 6.768 4.242 ( 5.459 0.000 -0.816) 5.520 4.321 ( 0.028 0.000 0.790) 0.791 4.419 ( -1.463 0.000 -3.420) 3.719 4.528 ( -6.564 0.000 5.854) 8.795 4.568 ( 1.223 0.000 0.852) 1.490 4.586 ( -5.277 0.000 -3.274) 6.210 4.630 ( -0.624 0.000 -6.854) 6.883 4.721 ( 0.524 0.000 0.666) 0.848 4.739 ( 1.576 0.000 5.185) 5.419 4.851 ( 3.710 0.000 0.291) 3.721 4.889 ( -3.523 0.000 -3.023) 4.642 5.027 ( -0.237 0.000 -0.606) 0.650 5.101 ( 4.049 0.000 2.631) 4.829 5.201 ( 0.686 0.000 -2.690) 2.777 5.211 ( 0.489 0.000 2.089) 2.146 5.315 ( 1.265 0.000 -0.757) 1.474 5.350 ( 3.310 0.000 5.538) 6.452 5.385 ( 7.359 0.000 4.621) 8.690 5.499 ( 4.286 0.000 0.318) 4.297 5.548 ( 5.314 0.000 -0.053) 5.315 5.640 ( 3.155 0.000 -1.080) 3.334 5.780 ( -1.981 0.000 1.242) 2.338 5.924 ( -4.641 0.000 0.624) 4.683 5.949 ( -2.203 0.000 1.179) 2.499 5.952 ( 0.233 0.000 -2.026) 2.039 6.073 ( -3.812 0.000 -0.777) 3.890 6.135 ( -6.783 0.000 -7.141) 9.849 6.406 ( -9.478 0.000 0.591) 9.496 6.463 ( -2.212 0.000 1.484) 2.664 6.629 ( 0.407 0.000 3.525) 3.549 6.725 ( -1.953 0.000 -1.374) 2.388 6.835 ( 0.540 0.000 2.295) 2.357 6.846 ( -3.816 0.000 -3.706) 5.320 7.197 ( 2.929 0.000 -1.029) 3.105 7.344 ( -4.071 0.000 -0.706) 4.132 7.360 ( 3.495 0.000 1.959) 4.007 7.498 ( -2.678 0.000 -0.931) 2.835 7.584 ( 1.834 0.000 -2.376) 3.002 7.620 ( 3.105 0.000 1.945) 3.664 7.755 ( 2.688 0.000 -5.662) 6.267 7.821 ( 1.289 0.000 -2.861) 3.138 7.900 ( -0.559 0.000 4.151) 4.189 7.920 ( -2.298 0.000 1.782) 2.908 7.958 ( -3.669 0.000 1.318) 3.898 7.997 ( -5.428 0.000 1.750) 5.703 8.097 ( -0.093 0.000 0.333) 0.346 8.133 ( -1.672 0.000 -0.667) 1.800 8.227 ( 0.087 0.000 -0.274) 0.287 8.350 ( 0.530 0.000 2.394) 2.452 8.407 ( 2.961 0.000 -0.088) 2.963 8.459 ( 1.894 0.000 0.911) 2.102 8.565 ( -0.286 0.000 0.268) 0.392 8.584 ( -2.947 0.000 -0.848) 3.066 8.601 ( -1.983 0.000 -1.367) 2.409 8.626 ( -1.022 0.000 -2.242) 2.464 8.710 ( -0.265 0.000 0.033) 0.267 8.741 ( 2.028 0.000 0.574) 2.108 8.873 ( 1.307 0.000 -2.587) 2.898 8.874 ( 2.916 0.000 0.788) 3.021 8.991 ( 2.460 0.000 -1.150) 2.716 9.037 ( 6.125 0.000 0.724) 6.168 9.116 ( 4.887 0.000 -0.582) 4.922 9.124 ( -2.706 0.000 -0.316) 2.725 9.145 ( 0.888 0.000 1.056) 1.380 9.217 ( 1.943 0.000 -2.082) 2.848 9.232 ( -2.285 0.000 -0.381) 2.316 9.282 ( 2.020 0.000 5.305) 5.677 9.329 ( -1.737 0.000 -1.266) 2.149 9.352 ( 1.227 0.000 -0.905) 1.525 9.398 ( -0.092 0.000 -0.080) 0.122 9.411 ( -4.158 0.000 -1.489) 4.417 9.435 ( -6.274 0.000 1.580) 6.470 9.506 ( -2.190 0.000 -0.541) 2.256 9.696 ( -4.352 0.000 -0.555) 4.387 9.729 ( -4.872 0.000 1.497) 5.097 9.772 ( -0.441 0.000 -0.744) 0.865 9.816 ( 0.488 0.000 -0.271) 0.558 9.900 ( -1.740 0.000 0.926) 1.971 10.035 ( -0.014 0.000 2.016) 2.017 10.146 ( -5.697 0.000 -3.145) 6.507 10.235 ( 1.319 0.000 -0.916) 1.606 10.243 ( -1.027 0.000 0.377) 1.093 10.246 ( -3.818 0.000 -0.658) 3.874 10.375 ( -0.219 0.000 -0.961) 0.986 10.435 ( -1.069 0.000 0.488) 1.175 10.503 ( -0.571 0.000 -0.421) 0.709 10.517 ( 0.264 0.000 0.063) 0.271 10.695 ( -0.371 0.000 1.630) 1.671 10.726 ( -0.623 0.000 -0.644) 0.896 10.743 ( -2.811 0.000 0.733) 2.905 10.894 ( 1.502 0.000 -0.303) 1.532 10.965 ( 1.597 0.000 -0.333) 1.632 11.078 ( 3.241 0.000 -1.019) 3.397 11.180 ( 2.192 0.000 -1.212) 2.505 11.199 ( -1.242 0.000 -0.424) 1.313 11.230 ( -0.788 0.000 -4.779) 4.844 11.250 ( 2.521 0.000 -0.416) 2.556 11.377 ( 2.236 0.000 0.267) 2.252 11.423 ( -0.042 0.000 1.054) 1.055 11.485 ( 1.287 0.000 -1.756) 2.177 11.544 ( -0.668 0.000 1.957) 2.068 11.585 ( -1.898 0.000 -2.100) 2.830 11.616 ( -0.710 0.000 -2.705) 2.797 11.680 ( 3.759 0.000 0.458) 3.787 11.722 ( 2.801 0.000 -1.451) 3.155 11.860 ( 2.962 0.000 4.511) 5.396 11.937 ( -6.719 0.000 6.340) 9.238 11.976 ( -0.290 0.000 0.552) 0.623 12.059 ( -1.029 0.000 -2.124) 2.361 12.102 ( 0.645 0.000 -1.799) 1.911 12.134 ( -2.730 0.000 -1.593) 3.161 12.206 ( -1.344 0.000 -1.793) 2.241 12.377 ( -1.811 0.000 -0.037) 1.812 12.385 ( -5.306 0.000 1.942) 5.650 12.423 ( 2.296 0.000 1.641) 2.823 12.557 ( -0.084 0.000 4.990) 4.990 12.691 ( 0.284 0.000 -0.552) 0.621 12.749 ( -0.756 0.000 0.746) 1.063 13.071 ( 1.471 0.000 -0.959) 1.756 13.913 ( 3.199 0.000 0.835) 3.306 13.986 ( -0.400 0.000 -0.124) 0.419 15.328 ( 1.707 0.000 0.231) 1.722 15.339 ( 1.863 0.000 -0.401) 1.905 ======================= Grid point 3 (4/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 0.000 0.000 0.000) 0.000 0.964 ( 0.000 0.000 0.000) 0.000 1.062 ( 0.000 0.000 -0.000) 0.000 1.416 ( 0.000 0.000 -0.000) 0.000 1.494 ( 0.000 0.000 -0.000) 0.000 1.494 ( 0.000 0.000 -0.000) 0.000 1.542 ( 0.000 0.000 -0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.567 ( -0.000 0.000 0.000) 0.000 1.589 ( 0.000 0.000 0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 -0.000) 0.000 1.846 ( -0.000 0.000 -0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.886 ( -0.000 0.000 -0.000) 0.000 1.924 ( 0.000 0.000 -0.000) 0.000 2.079 ( 0.000 0.000 -0.000) 0.000 2.098 ( -0.000 0.000 0.000) 0.000 2.106 ( 0.000 0.000 -0.000) 0.000 2.180 ( -0.000 0.000 -0.000) 0.000 2.280 ( 0.000 0.000 -0.000) 0.000 2.393 ( -0.000 0.000 0.000) 0.000 2.408 ( 0.000 0.000 -0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.606 ( 0.000 0.000 0.000) 0.000 2.631 ( 0.000 0.000 -0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 -0.000) 0.000 2.913 ( 0.000 0.000 -0.000) 0.000 3.038 ( 0.000 0.000 -0.000) 0.000 3.115 ( 0.000 0.000 -0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 -0.000) 0.000 3.210 ( 0.000 0.000 -0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 -0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 -0.000) 0.000 3.592 ( -0.000 0.000 -0.000) 0.000 3.661 ( 0.000 0.000 -0.000) 0.000 3.670 ( 0.000 0.000 -0.000) 0.000 3.707 ( -0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 -0.000) 0.000 4.205 ( 0.000 0.000 0.000) 0.000 4.302 ( 0.000 0.000 0.000) 0.000 4.356 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 -0.000) 0.000 4.372 ( 0.000 0.000 0.000) 0.000 4.426 ( -0.000 0.000 0.000) 0.000 4.441 ( -0.000 0.000 -0.000) 0.000 4.566 ( 0.000 0.000 0.000) 0.000 4.623 ( 0.000 0.000 0.000) 0.000 4.727 ( 0.000 0.000 -0.000) 0.000 4.808 ( 0.000 0.000 -0.000) 0.000 4.833 ( 0.000 0.000 -0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 -0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 -0.000) 0.000 5.305 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 -0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.653 ( 0.000 0.000 -0.000) 0.000 5.671 ( -0.000 0.000 0.000) 0.000 5.717 ( 0.000 0.000 0.000) 0.000 5.856 ( 0.000 0.000 -0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 5.990 ( 0.000 0.000 -0.000) 0.000 6.022 ( 0.000 0.000 0.000) 0.000 6.031 ( 0.000 0.000 -0.000) 0.000 6.278 ( 0.000 0.000 0.000) 0.000 6.445 ( 0.000 0.000 0.000) 0.000 6.640 ( 0.000 0.000 0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 -0.000) 0.000 6.841 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 -0.000) 0.000 7.284 ( -0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 7.434 ( -0.000 0.000 -0.000) 0.000 7.615 ( 0.000 0.000 0.000) 0.000 7.658 ( 0.000 0.000 -0.000) 0.000 7.822 ( -0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 -0.000) 0.000 7.848 ( 0.000 0.000 -0.000) 0.000 7.890 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 -0.000) 0.000 7.942 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 0.000) 0.000 8.104 ( 0.000 0.000 -0.000) 0.000 8.227 ( 0.000 0.000 -0.000) 0.000 8.351 ( 0.000 0.000 0.000) 0.000 8.481 ( 0.000 0.000 0.000) 0.000 8.496 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 -0.000) 0.000 8.539 ( 0.000 0.000 -0.000) 0.000 8.582 ( 0.000 0.000 -0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.710 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 -0.000) 0.000 8.866 ( 0.000 0.000 -0.000) 0.000 8.905 ( 0.000 0.000 -0.000) 0.000 9.042 ( 0.000 0.000 -0.000) 0.000 9.089 ( 0.000 0.000 -0.000) 0.000 9.126 ( 0.000 0.000 -0.000) 0.000 9.174 ( 0.000 0.000 0.000) 0.000 9.184 ( -0.000 0.000 -0.000) 0.000 9.218 ( 0.000 0.000 -0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 9.307 ( 0.000 0.000 0.000) 0.000 9.325 ( 0.000 0.000 -0.000) 0.000 9.331 ( 0.000 0.000 -0.000) 0.000 9.389 ( 0.000 0.000 0.000) 0.000 9.409 ( -0.000 0.000 -0.000) 0.000 9.574 ( 0.000 0.000 -0.000) 0.000 9.586 ( -0.000 0.000 0.000) 0.000 9.641 ( 0.000 0.000 -0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.819 ( 0.000 0.000 -0.000) 0.000 9.868 ( 0.000 0.000 -0.000) 0.000 10.009 ( 0.000 0.000 -0.000) 0.000 10.104 ( -0.000 0.000 -0.000) 0.000 10.204 ( 0.000 0.000 -0.000) 0.000 10.231 ( 0.000 0.000 0.000) 0.000 10.248 ( 0.000 0.000 -0.000) 0.000 10.383 ( 0.000 0.000 -0.000) 0.000 10.444 ( 0.000 0.000 -0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.520 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 -0.000) 0.000 10.721 ( 0.000 0.000 0.000) 0.000 10.723 ( 0.000 0.000 -0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 -0.000) 0.000 11.104 ( 0.000 0.000 -0.000) 0.000 11.173 ( 0.000 0.000 -0.000) 0.000 11.188 ( 0.000 0.000 -0.000) 0.000 11.249 ( 0.000 0.000 0.000) 0.000 11.266 ( 0.000 0.000 -0.000) 0.000 11.407 ( 0.000 0.000 0.000) 0.000 11.438 ( 0.000 0.000 -0.000) 0.000 11.484 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 11.560 ( 0.000 0.000 0.000) 0.000 11.605 ( 0.000 0.000 -0.000) 0.000 11.747 ( 0.000 0.000 -0.000) 0.000 11.783 ( 0.000 0.000 0.000) 0.000 11.808 ( 0.000 0.000 0.000) 0.000 11.922 ( 0.000 0.000 0.000) 0.000 11.955 ( 0.000 0.000 -0.000) 0.000 12.046 ( 0.000 0.000 0.000) 0.000 12.094 ( 0.000 0.000 -0.000) 0.000 12.107 ( 0.000 0.000 0.000) 0.000 12.184 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.361 ( 0.000 0.000 0.000) 0.000 12.457 ( 0.000 0.000 -0.000) 0.000 12.563 ( 0.000 0.000 0.000) 0.000 12.695 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 -0.000) 0.000 13.090 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 -0.000) 0.000 13.981 ( 0.000 0.000 -0.000) 0.000 15.348 ( 0.000 0.000 -0.000) 0.000 15.359 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/42) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 0.000 16.705 0.000) 16.705 0.328 ( 0.000 17.761 0.000) 17.761 0.663 ( 0.000 31.416 0.000) 31.416 1.099 ( 0.000 -3.348 0.000) 3.348 1.278 ( 0.000 8.884 0.000) 8.884 1.319 ( 0.000 -7.766 0.000) 7.766 1.434 ( 0.000 6.011 0.000) 6.011 1.575 ( 0.000 1.697 0.000) 1.697 1.620 ( 0.000 3.552 0.000) 3.552 1.680 ( 0.000 -6.876 0.000) 6.876 1.685 ( 0.000 -7.172 0.000) 7.172 1.692 ( 0.000 -11.486 0.000) 11.486 1.694 ( 0.000 -4.082 0.000) 4.082 1.861 ( 0.000 -8.931 0.000) 8.931 1.874 ( 0.000 2.507 0.000) 2.507 1.931 ( 0.000 -8.586 0.000) 8.586 1.948 ( 0.000 -8.517 0.000) 8.517 1.978 ( 0.000 0.035 0.000) 0.035 2.068 ( 0.000 -2.522 0.000) 2.522 2.169 ( 0.000 -2.258 0.000) 2.258 2.180 ( 0.000 -1.098 0.000) 1.098 2.246 ( 0.000 4.351 0.000) 4.351 2.445 ( 0.000 1.463 0.000) 1.463 2.470 ( 0.000 -0.665 0.000) 0.665 2.572 ( 0.000 4.169 0.000) 4.169 2.673 ( 0.000 7.332 0.000) 7.332 2.881 ( 0.000 1.650 0.000) 1.650 2.931 ( 0.000 10.124 0.000) 10.124 2.947 ( 0.000 17.081 0.000) 17.081 3.015 ( 0.000 8.805 0.000) 8.805 3.071 ( 0.000 10.490 0.000) 10.490 3.090 ( 0.000 -2.136 0.000) 2.136 3.153 ( 0.000 -9.681 0.000) 9.681 3.258 ( 0.000 -5.523 0.000) 5.523 3.283 ( 0.000 1.711 0.000) 1.711 3.362 ( 0.000 -1.571 0.000) 1.571 3.390 ( 0.000 9.295 0.000) 9.295 3.735 ( 0.000 -5.265 0.000) 5.265 3.745 ( 0.000 12.384 0.000) 12.384 3.762 ( 0.000 -0.755 0.000) 0.755 3.810 ( 0.000 -10.343 0.000) 10.343 3.904 ( 0.000 10.648 0.000) 10.648 4.026 ( 0.000 -1.603 0.000) 1.603 4.057 ( 0.000 5.122 0.000) 5.122 4.125 ( 0.000 1.354 0.000) 1.354 4.176 ( 0.000 -2.715 0.000) 2.715 4.278 ( 0.000 -8.341 0.000) 8.341 4.310 ( 0.000 -8.537 0.000) 8.537 4.418 ( 0.000 -0.749 0.000) 0.749 4.502 ( 0.000 -12.183 0.000) 12.183 4.544 ( 0.000 -3.330 0.000) 3.330 4.612 ( 0.000 -5.897 0.000) 5.897 4.630 ( 0.000 -0.310 0.000) 0.310 4.698 ( 0.000 -11.823 0.000) 11.823 4.785 ( 0.000 1.473 0.000) 1.473 4.841 ( 0.000 -8.972 0.000) 8.972 4.986 ( 0.000 -8.969 0.000) 8.969 5.007 ( 0.000 -3.261 0.000) 3.261 5.050 ( 0.000 0.639 0.000) 0.639 5.065 ( 0.000 3.839 0.000) 3.839 5.116 ( 0.000 -0.525 0.000) 0.525 5.285 ( 0.000 2.254 0.000) 2.254 5.387 ( 0.000 3.602 0.000) 3.602 5.495 ( 0.000 8.586 0.000) 8.586 5.539 ( 0.000 -2.300 0.000) 2.300 5.601 ( 0.000 8.232 0.000) 8.232 5.853 ( 0.000 5.458 0.000) 5.458 5.934 ( 0.000 -10.623 0.000) 10.623 5.936 ( 0.000 1.308 0.000) 1.308 6.080 ( 0.000 -0.254 0.000) 0.254 6.167 ( 0.000 0.877 0.000) 0.877 6.399 ( 0.000 -6.689 0.000) 6.689 6.478 ( 0.000 2.308 0.000) 2.308 6.563 ( 0.000 0.731 0.000) 0.731 6.732 ( 0.000 3.482 0.000) 3.482 6.797 ( 0.000 2.035 0.000) 2.035 6.823 ( 0.000 0.387 0.000) 0.387 6.889 ( 0.000 1.892 0.000) 1.892 7.157 ( 0.000 2.749 0.000) 2.749 7.260 ( 0.000 -0.756 0.000) 0.756 7.474 ( 0.000 -1.458 0.000) 1.458 7.508 ( 0.000 -2.046 0.000) 2.046 7.602 ( 0.000 1.815 0.000) 1.815 7.608 ( 0.000 1.049 0.000) 1.049 7.761 ( 0.000 1.193 0.000) 1.193 7.854 ( 0.000 0.254 0.000) 0.254 7.855 ( 0.000 0.295 0.000) 0.295 7.944 ( 0.000 -2.331 0.000) 2.331 8.058 ( 0.000 -2.422 0.000) 2.422 8.077 ( 0.000 -3.600 0.000) 3.600 8.125 ( 0.000 0.370 0.000) 0.370 8.184 ( 0.000 1.490 0.000) 1.490 8.243 ( 0.000 -2.154 0.000) 2.154 8.285 ( 0.000 -2.413 0.000) 2.413 8.461 ( 0.000 2.481 0.000) 2.481 8.493 ( 0.000 4.694 0.000) 4.694 8.540 ( 0.000 -0.737 0.000) 0.737 8.619 ( 0.000 1.940 0.000) 1.940 8.649 ( 0.000 0.213 0.000) 0.213 8.720 ( 0.000 0.619 0.000) 0.619 8.766 ( 0.000 1.504 0.000) 1.504 8.782 ( 0.000 3.054 0.000) 3.054 8.786 ( 0.000 5.753 0.000) 5.753 8.830 ( 0.000 4.848 0.000) 4.848 8.949 ( 0.000 -1.491 0.000) 1.491 9.003 ( 0.000 -2.436 0.000) 2.436 9.086 ( 0.000 0.710 0.000) 0.710 9.142 ( 0.000 -0.356 0.000) 0.356 9.194 ( 0.000 -2.617 0.000) 2.617 9.257 ( 0.000 -4.864 0.000) 4.864 9.270 ( 0.000 3.495 0.000) 3.495 9.279 ( 0.000 2.378 0.000) 2.378 9.328 ( 0.000 -0.377 0.000) 0.377 9.372 ( 0.000 -0.951 0.000) 0.951 9.463 ( 0.000 0.248 0.000) 0.248 9.539 ( 0.000 5.195 0.000) 5.195 9.619 ( 0.000 -1.311 0.000) 1.311 9.642 ( 0.000 2.632 0.000) 2.632 9.688 ( 0.000 -2.506 0.000) 2.506 9.700 ( 0.000 0.721 0.000) 0.721 9.807 ( 0.000 -0.238 0.000) 0.238 9.903 ( 0.000 0.066 0.000) 0.066 9.913 ( 0.000 0.912 0.000) 0.912 10.073 ( 0.000 -1.937 0.000) 1.937 10.118 ( 0.000 -2.441 0.000) 2.441 10.252 ( 0.000 -3.700 0.000) 3.700 10.346 ( 0.000 1.679 0.000) 1.679 10.367 ( 0.000 2.290 0.000) 2.290 10.434 ( 0.000 5.281 0.000) 5.281 10.514 ( 0.000 0.665 0.000) 0.665 10.521 ( 0.000 0.563 0.000) 0.563 10.594 ( 0.000 -5.897 0.000) 5.897 10.711 ( 0.000 0.672 0.000) 0.672 10.775 ( 0.000 2.012 0.000) 2.012 10.817 ( 0.000 -0.622 0.000) 0.622 10.853 ( 0.000 -0.918 0.000) 0.918 10.898 ( 0.000 1.815 0.000) 1.815 10.989 ( 0.000 -1.572 0.000) 1.572 10.994 ( 0.000 3.632 0.000) 3.632 11.122 ( 0.000 -4.014 0.000) 4.014 11.125 ( 0.000 3.614 0.000) 3.614 11.296 ( 0.000 -0.484 0.000) 0.484 11.369 ( 0.000 1.417 0.000) 1.417 11.377 ( 0.000 -0.360 0.000) 0.360 11.395 ( 0.000 2.881 0.000) 2.881 11.554 ( 0.000 -1.497 0.000) 1.497 11.618 ( 0.000 -1.295 0.000) 1.295 11.630 ( 0.000 -0.976 0.000) 0.976 11.720 ( 0.000 3.498 0.000) 3.498 11.813 ( 0.000 0.061 0.000) 0.061 11.827 ( 0.000 -0.335 0.000) 0.335 11.924 ( 0.000 -2.038 0.000) 2.038 12.064 ( 0.000 2.431 0.000) 2.431 12.118 ( 0.000 3.641 0.000) 3.641 12.184 ( 0.000 -3.180 0.000) 3.180 12.190 ( 0.000 -2.779 0.000) 2.779 12.317 ( 0.000 1.961 0.000) 1.961 12.414 ( 0.000 -5.235 0.000) 5.235 12.542 ( 0.000 -2.148 0.000) 2.148 12.566 ( 0.000 0.049 0.000) 0.049 12.602 ( 0.000 -0.185 0.000) 0.185 12.712 ( 0.000 -0.912 0.000) 0.912 12.720 ( 0.000 3.564 0.000) 3.564 13.008 ( 0.000 -5.242 0.000) 5.242 13.666 ( 0.000 1.142 0.000) 1.142 13.785 ( 0.000 -1.790 0.000) 1.790 15.272 ( 0.000 -0.025 0.000) 0.025 15.275 ( 0.000 -0.090 0.000) 0.090 ======================= Grid point 8 (6/42) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.404 ( 10.842 8.266 4.652) 14.405 0.492 ( 13.502 8.435 4.602) 16.572 0.917 ( 13.121 15.909 2.339) 20.754 1.136 ( 7.632 1.387 3.680) 8.586 1.294 ( 1.989 5.895 -2.787) 6.817 1.377 ( 5.201 -5.566 3.488) 8.378 1.463 ( 3.166 2.867 -8.282) 9.319 1.568 ( -4.693 -9.809 -1.773) 11.018 1.594 ( -2.278 -4.098 1.867) 5.047 1.624 ( -0.546 -0.904 -1.245) 1.632 1.673 ( 1.133 -5.332 4.239) 6.905 1.714 ( 2.350 1.704 -0.056) 2.903 1.728 ( 1.292 -2.417 0.202) 2.749 1.834 ( -3.025 2.967 -2.095) 4.726 1.871 ( 1.123 -7.935 0.462) 8.027 1.951 ( -0.072 -4.361 2.801) 5.183 1.961 ( 0.298 -6.250 0.257) 6.262 1.996 ( 2.248 -6.711 -1.954) 7.342 2.125 ( 3.173 1.245 0.051) 3.408 2.175 ( 0.276 -1.576 1.181) 1.989 2.216 ( 3.808 -4.315 -1.427) 5.929 2.309 ( 7.382 3.158 -2.064) 8.290 2.444 ( 0.000 2.630 -0.091) 2.631 2.487 ( 1.434 -0.102 0.954) 1.725 2.537 ( -2.685 4.878 -0.972) 5.652 2.692 ( 1.994 8.145 -0.802) 8.424 2.827 ( -2.178 2.676 -2.430) 4.220 2.928 ( -1.394 15.797 4.628) 16.519 3.006 ( 2.592 8.392 -0.704) 8.811 3.043 ( 2.864 5.822 2.992) 7.145 3.091 ( -0.321 4.814 3.114) 5.742 3.102 ( 1.123 1.985 2.425) 3.329 3.186 ( 2.913 -2.641 -3.737) 5.425 3.215 ( -0.381 -1.068 -6.440) 6.539 3.297 ( -0.030 -0.994 -1.783) 2.042 3.347 ( 0.583 -1.978 0.193) 2.071 3.436 ( 2.768 6.043 3.190) 7.372 3.667 ( -5.097 7.376 -1.112) 9.034 3.720 ( -4.401 2.055 0.494) 4.882 3.768 ( 0.113 -4.528 -1.395) 4.739 3.805 ( -0.147 -7.265 1.679) 7.458 3.887 ( -0.490 7.790 -0.192) 7.807 3.982 ( -2.075 7.170 6.455) 9.868 4.056 ( -1.111 -3.794 -6.406) 7.528 4.133 ( 2.541 -3.451 -0.529) 4.318 4.175 ( -1.243 0.628 -3.616) 3.875 4.274 ( 2.174 -8.759 0.155) 9.026 4.351 ( 3.464 -5.408 -1.494) 6.594 4.451 ( 1.982 -1.589 -2.510) 3.571 4.506 ( -1.848 -9.949 3.893) 10.842 4.548 ( 0.317 -8.099 3.803) 8.953 4.575 ( -2.675 -7.154 0.034) 7.638 4.672 ( 1.206 -6.490 -5.906) 8.857 4.730 ( 2.651 -3.389 4.632) 6.323 4.759 ( -1.255 1.032 -5.325) 5.567 4.868 ( 2.793 -6.636 -6.104) 9.439 4.938 ( -0.174 -6.786 0.608) 6.815 4.992 ( -4.758 -5.596 4.501) 8.614 5.050 ( 0.986 -3.617 0.422) 3.773 5.159 ( 7.343 -0.316 -0.123) 7.351 5.162 ( 3.945 1.420 4.161) 5.907 5.341 ( 2.243 1.111 3.958) 4.683 5.436 ( 1.820 8.987 -3.368) 9.768 5.457 ( 1.422 1.193 1.143) 2.179 5.576 ( 3.168 5.118 -1.884) 6.307 5.614 ( 1.360 5.290 1.604) 5.693 5.855 ( -0.883 2.452 3.435) 4.312 5.924 ( -0.651 -6.392 1.354) 6.566 5.951 ( 1.560 2.013 -3.283) 4.155 6.054 ( -2.970 0.468 2.125) 3.682 6.105 ( -4.842 0.788 -1.502) 5.130 6.363 ( -4.088 -4.720 -1.841) 6.510 6.433 ( -4.010 0.371 -1.211) 4.205 6.550 ( -1.622 1.443 -0.539) 2.237 6.714 ( -1.660 4.075 2.349) 4.988 6.770 ( -3.624 0.589 -1.141) 3.845 6.826 ( 1.854 0.942 1.092) 2.349 6.886 ( -1.115 0.046 -1.225) 1.657 7.174 ( 1.592 2.420 -0.608) 2.960 7.291 ( 2.852 -0.388 0.324) 2.896 7.453 ( -2.544 -1.012 -2.093) 3.446 7.521 ( 1.030 -2.129 -0.547) 2.428 7.533 ( -3.066 2.418 2.246) 4.504 7.621 ( -0.146 0.759 -1.629) 1.803 7.745 ( -0.386 0.758 -2.012) 2.185 7.830 ( -1.415 -0.104 -0.795) 1.626 7.874 ( 0.923 -0.076 1.488) 1.753 7.940 ( -0.520 -1.300 -0.159) 1.409 8.030 ( -1.486 -2.612 0.708) 3.087 8.064 ( -2.942 -1.636 0.404) 3.391 8.093 ( -2.520 0.361 1.174) 2.803 8.162 ( -2.310 0.211 0.717) 2.428 8.232 ( 1.001 0.530 0.177) 1.146 8.303 ( 1.788 -2.786 -1.686) 3.715 8.446 ( -0.949 4.874 1.549) 5.202 8.495 ( 0.217 4.388 -0.887) 4.482 8.569 ( -0.415 0.640 2.314) 2.437 8.608 ( -0.065 1.028 -0.848) 1.334 8.632 ( -0.410 -0.166 0.647) 0.784 8.732 ( -0.138 1.738 -3.056) 3.518 8.760 ( -1.461 2.376 0.640) 2.862 8.794 ( 0.567 4.850 0.363) 4.897 8.819 ( 2.825 4.175 0.375) 5.055 8.843 ( 3.060 3.675 -0.730) 4.838 8.956 ( 2.399 0.033 0.617) 2.478 9.004 ( 0.223 0.125 -0.997) 1.029 9.103 ( 0.133 -1.454 -0.523) 1.551 9.124 ( -3.895 4.897 -0.146) 6.259 9.157 ( -0.151 0.372 -3.459) 3.482 9.192 ( 0.313 -1.133 -0.517) 1.284 9.254 ( -0.600 -3.610 1.145) 3.835 9.275 ( -1.232 2.333 2.298) 3.499 9.290 ( -1.446 1.844 0.545) 2.405 9.358 ( -3.426 -0.633 -2.368) 4.213 9.418 ( 0.797 -0.885 -0.883) 1.482 9.496 ( -3.547 2.851 -0.008) 4.551 9.562 ( -6.232 -0.501 -0.021) 6.253 9.581 ( -3.277 0.152 -0.177) 3.285 9.720 ( 2.324 -1.166 -0.564) 2.660 9.777 ( 0.767 -1.483 1.828) 2.476 9.789 ( 0.399 3.460 1.338) 3.731 9.880 ( -1.598 3.491 -0.641) 3.892 9.914 ( -1.731 -0.325 2.280) 2.881 10.026 ( -4.394 -3.135 -0.445) 5.416 10.068 ( 1.784 -3.975 -0.800) 4.430 10.247 ( -1.482 -2.528 -0.729) 3.020 10.334 ( -3.759 1.780 -1.564) 4.444 10.363 ( -2.469 0.804 -2.011) 3.285 10.414 ( -0.197 2.248 -1.511) 2.716 10.509 ( -0.421 0.753 1.526) 1.753 10.518 ( -2.203 -1.104 -1.493) 2.881 10.551 ( -0.346 2.705 -1.388) 3.060 10.692 ( -1.631 -1.057 -2.420) 3.104 10.777 ( -0.703 -1.399 0.833) 1.773 10.799 ( -2.485 -0.287 1.105) 2.734 10.861 ( -0.209 0.985 1.267) 1.618 10.961 ( 1.891 1.922 3.070) 4.086 11.003 ( 3.850 1.455 -2.257) 4.694 11.059 ( 4.201 -1.510 -0.045) 4.465 11.136 ( 6.943 -0.640 2.927) 7.562 11.213 ( 4.309 1.441 -0.959) 4.644 11.329 ( -2.090 1.746 -0.876) 2.861 11.365 ( -0.345 2.989 0.852) 3.127 11.391 ( 4.823 -3.176 -5.312) 7.846 11.452 ( 3.294 -1.271 0.547) 3.573 11.525 ( -2.254 -2.464 0.479) 3.374 11.585 ( -0.372 1.734 -4.741) 5.062 11.654 ( 1.307 -0.697 -0.392) 1.532 11.681 ( -3.078 4.115 0.796) 5.200 11.768 ( -2.283 1.750 -3.708) 4.693 11.852 ( 1.037 2.412 0.805) 2.746 11.948 ( 1.513 -1.474 1.383) 2.524 12.036 ( -2.615 2.344 -1.023) 3.658 12.094 ( -3.041 3.857 2.621) 5.567 12.148 ( -2.239 -1.100 -1.718) 3.029 12.168 ( -1.913 -1.318 -3.199) 3.954 12.277 ( -5.275 5.185 -2.045) 7.674 12.337 ( 0.400 -2.484 0.564) 2.579 12.425 ( -5.109 -2.769 4.085) 7.103 12.537 ( -2.532 0.328 7.491) 7.914 12.539 ( -6.664 0.916 0.061) 6.727 12.641 ( 0.568 -3.491 0.805) 3.628 12.767 ( 2.055 2.621 -0.303) 3.344 13.015 ( 0.416 -4.189 -0.644) 4.258 13.795 ( 5.101 -2.988 0.581) 5.940 13.878 ( 5.419 -6.307 0.760) 8.350 15.289 ( 1.573 -0.067 0.147) 1.581 15.295 ( 1.844 -0.209 -0.281) 1.877 ======================= Grid point 9 (7/42) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 13.450 0.667 2.528) 13.702 0.781 ( 12.569 2.461 3.543) 13.289 1.032 ( 1.072 -1.227 1.349) 2.115 1.289 ( -3.270 -5.477 -2.201) 6.747 1.374 ( 6.320 2.585 1.796) 7.060 1.462 ( -1.840 -5.894 -2.688) 6.734 1.489 ( 1.906 -7.207 2.007) 7.721 1.527 ( 2.178 -1.937 -1.410) 3.238 1.585 ( 6.932 1.367 1.296) 7.184 1.652 ( -2.536 0.284 1.635) 3.030 1.679 ( 3.551 -4.555 1.189) 5.897 1.740 ( 0.600 3.572 -1.195) 3.814 1.791 ( 1.299 2.341 -1.899) 3.283 1.825 ( 3.770 2.937 0.723) 4.834 1.875 ( 0.060 -5.933 -3.091) 6.690 1.944 ( 0.729 -2.864 1.069) 3.143 1.988 ( 2.049 -2.102 0.276) 2.949 2.024 ( 0.931 -8.828 -0.855) 8.918 2.172 ( -0.754 0.687 3.544) 3.687 2.175 ( 0.510 0.107 0.914) 1.052 2.279 ( 1.959 -1.022 -0.697) 2.317 2.406 ( -1.790 4.294 -3.461) 5.798 2.451 ( -1.068 0.607 2.260) 2.572 2.504 ( 1.482 -1.394 1.323) 2.426 2.573 ( 8.631 6.668 -2.997) 11.311 2.734 ( 2.011 9.447 -1.152) 9.727 2.801 ( 0.670 -1.641 -3.895) 4.279 2.927 ( -0.324 11.935 6.844) 13.762 3.007 ( -0.831 12.605 -5.173) 13.651 3.032 ( -3.573 3.478 3.438) 6.057 3.073 ( -2.548 -2.984 5.122) 6.452 3.171 ( 2.067 1.401 -0.139) 2.501 3.221 ( 5.297 3.453 -1.711) 6.550 3.264 ( 2.918 0.948 -3.761) 4.854 3.307 ( 1.931 1.416 -1.568) 2.862 3.399 ( 4.629 -3.076 -1.484) 5.753 3.501 ( 2.578 5.138 1.098) 5.853 3.526 ( -8.916 8.591 6.028) 13.771 3.615 ( -3.830 2.112 -1.864) 4.754 3.714 ( -3.571 -0.498 -2.049) 4.147 3.826 ( -0.783 4.295 0.554) 4.400 3.924 ( 0.980 4.402 0.897) 4.598 3.970 ( 3.038 2.170 -1.256) 3.939 4.040 ( 2.587 -11.810 -2.419) 12.330 4.158 ( -0.016 -1.470 1.290) 1.956 4.209 ( 3.404 -8.672 -2.543) 9.657 4.308 ( 0.611 -5.682 -0.176) 5.717 4.399 ( -4.769 -0.120 1.470) 4.992 4.424 ( 0.095 -10.579 -2.308) 10.828 4.475 ( -3.318 -10.886 4.817) 12.358 4.495 ( 1.843 -4.595 -3.043) 5.812 4.602 ( -1.910 -5.031 -1.911) 5.711 4.636 ( 1.338 -5.025 -3.121) 6.065 4.735 ( -1.303 -0.623 -0.955) 1.732 4.816 ( 3.524 -2.069 2.205) 4.643 4.849 ( -0.465 -3.573 0.333) 3.618 4.919 ( -0.679 -6.811 0.041) 6.845 5.020 ( 1.520 -8.881 2.855) 9.452 5.058 ( -0.139 -8.162 0.011) 8.163 5.241 ( -0.169 -0.238 -4.413) 4.423 5.280 ( 3.529 0.943 2.654) 4.515 5.375 ( 7.305 2.503 1.849) 7.940 5.502 ( 4.419 9.105 -0.773) 10.151 5.536 ( 2.897 3.564 2.420) 5.192 5.647 ( 4.002 3.363 -4.902) 7.166 5.692 ( 5.667 6.382 4.630) 9.710 5.807 ( -4.234 -2.590 7.218) 8.760 5.941 ( 0.975 3.170 1.594) 3.679 5.954 ( -2.681 1.795 -2.149) 3.877 5.984 ( -1.889 2.161 -1.238) 3.126 6.006 ( -3.318 -0.891 -3.894) 5.192 6.239 ( -6.534 -1.068 -1.140) 6.718 6.326 ( -5.723 0.467 -0.055) 5.742 6.493 ( -3.197 1.775 0.060) 3.657 6.691 ( -1.324 1.902 4.020) 4.640 6.693 ( -2.712 -0.016 -2.128) 3.447 6.819 ( -4.282 -0.938 -1.954) 4.799 6.869 ( 1.384 1.323 0.091) 1.917 7.213 ( 2.292 1.607 -0.871) 2.931 7.355 ( 0.985 0.531 0.152) 1.129 7.375 ( -1.913 0.254 -0.516) 1.998 7.488 ( -1.722 0.194 0.510) 1.807 7.556 ( 1.989 -1.906 -1.482) 3.128 7.627 ( 1.172 -0.215 1.168) 1.668 7.757 ( 2.412 0.452 -4.351) 4.995 7.821 ( 1.308 -0.155 -2.685) 2.991 7.883 ( -0.864 -0.504 3.078) 3.237 7.916 ( -2.127 -0.510 1.198) 2.493 7.980 ( -3.477 0.905 1.369) 3.845 8.004 ( -2.340 0.399 1.608) 2.868 8.052 ( -1.365 -1.795 0.422) 2.294 8.117 ( -2.317 -1.659 0.547) 2.902 8.273 ( 2.476 2.599 -0.295) 3.602 8.349 ( 3.213 -3.303 -1.057) 4.727 8.415 ( -2.444 4.586 1.568) 5.428 8.484 ( -1.500 2.036 0.454) 2.570 8.553 ( -0.692 0.299 0.162) 0.771 8.593 ( -1.731 -0.274 -1.242) 2.148 8.637 ( 0.352 2.853 0.839) 2.994 8.694 ( -1.425 3.347 -2.353) 4.333 8.742 ( -0.356 3.728 -0.253) 3.753 8.805 ( 0.967 5.059 0.225) 5.156 8.881 ( 2.204 2.611 1.129) 3.598 8.916 ( 2.654 2.248 -1.757) 3.897 9.012 ( 1.990 2.113 -0.685) 2.982 9.064 ( 4.902 0.855 0.521) 5.003 9.084 ( 2.523 -0.249 -0.930) 2.700 9.106 ( -0.333 -1.339 -0.271) 1.406 9.154 ( 0.826 -0.906 -0.241) 1.250 9.219 ( 0.325 -0.052 -0.315) 0.456 9.246 ( -2.473 0.351 0.221) 2.507 9.261 ( -0.030 -0.230 3.023) 3.031 9.301 ( 2.202 -2.249 -0.543) 3.194 9.321 ( 2.192 -2.798 -0.645) 3.612 9.375 ( -4.404 0.211 -0.196) 4.413 9.402 ( -5.942 -1.406 -0.957) 6.180 9.453 ( -2.246 0.471 0.919) 2.472 9.516 ( -4.064 0.492 -0.516) 4.126 9.678 ( -4.996 -1.860 -0.390) 5.346 9.719 ( -6.244 -1.019 2.482) 6.796 9.811 ( -0.444 2.662 -0.882) 2.839 9.834 ( 1.101 2.142 -0.262) 2.423 9.908 ( -1.332 1.145 0.536) 1.836 10.015 ( 1.829 -2.031 2.523) 3.719 10.090 ( -0.848 -3.239 -2.948) 4.461 10.166 ( -3.361 -4.463 -0.512) 5.610 10.256 ( -2.472 1.497 -0.566) 2.945 10.285 ( -3.175 1.709 -0.463) 3.635 10.418 ( 0.444 3.438 -0.389) 3.489 10.484 ( 0.183 1.668 -1.616) 2.330 10.509 ( -0.168 0.415 1.655) 1.715 10.571 ( 1.003 6.396 0.038) 6.475 10.684 ( 1.241 -0.265 -1.281) 1.803 10.742 ( -1.925 0.257 0.177) 1.950 10.759 ( -0.809 0.836 -1.070) 1.580 10.869 ( -0.035 -1.768 0.794) 1.938 10.979 ( -0.773 1.892 2.883) 3.534 11.069 ( 2.055 -1.058 -0.596) 2.387 11.141 ( 3.542 0.505 -1.142) 3.755 11.225 ( 0.310 0.684 0.540) 0.925 11.299 ( 4.275 4.334 -1.059) 6.179 11.313 ( 0.613 4.423 -1.700) 4.778 11.372 ( 1.360 -0.511 -0.897) 1.707 11.454 ( -0.751 2.416 -0.161) 2.535 11.474 ( 3.200 -1.295 -3.600) 4.988 11.488 ( -0.239 -3.965 -0.287) 3.983 11.585 ( -2.217 2.053 -1.388) 3.326 11.617 ( -1.648 -0.136 1.396) 2.164 11.701 ( 2.760 0.909 -0.322) 2.923 11.734 ( 0.458 0.407 -1.056) 1.221 11.876 ( 0.922 1.318 1.202) 2.008 11.944 ( -5.688 -1.334 2.434) 6.329 11.972 ( -0.873 1.092 2.458) 2.828 12.053 ( -0.573 1.413 -0.324) 1.559 12.115 ( -0.800 -1.658 -1.116) 2.152 12.127 ( -1.252 1.015 -0.989) 1.891 12.217 ( -1.817 0.986 -1.911) 2.815 12.352 ( -2.330 -2.367 0.549) 3.366 12.365 ( -3.643 -2.623 1.932) 4.887 12.378 ( -0.843 -3.509 1.415) 3.877 12.555 ( 0.453 -0.002 3.081) 3.114 12.647 ( -0.132 -3.269 0.171) 3.276 12.784 ( -0.223 2.830 0.114) 2.841 13.036 ( 1.601 -3.503 -0.828) 3.940 13.886 ( 3.396 -2.457 0.539) 4.227 13.937 ( 1.096 -4.029 0.155) 4.178 15.326 ( 1.647 -0.178 0.182) 1.667 15.335 ( 1.789 -0.394 -0.305) 1.857 ======================= Grid point 10 (8/42) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 3.804 0.000) 3.804 0.952 ( 0.000 -0.766 0.000) 0.766 1.013 ( 0.000 -4.427 0.000) 4.427 1.205 ( 0.000 -13.202 -0.000) 13.202 1.404 ( 0.000 -4.410 -0.000) 4.410 1.426 ( 0.000 -4.858 -0.000) 4.858 1.559 ( -0.000 -5.204 -0.000) 5.204 1.591 ( 0.000 4.427 0.000) 4.427 1.605 ( -0.000 2.363 -0.000) 2.363 1.625 ( 0.000 -1.343 0.000) 1.343 1.710 ( 0.000 -3.355 -0.000) 3.355 1.769 ( 0.000 2.863 0.000) 2.863 1.795 ( 0.000 -3.347 -0.000) 3.347 1.864 ( 0.000 -9.179 -0.000) 9.179 1.913 ( 0.000 4.584 -0.000) 4.584 1.965 ( 0.000 2.123 -0.000) 2.123 2.034 ( 0.000 -8.227 -0.000) 8.227 2.080 ( -0.000 3.150 0.000) 3.150 2.100 ( 0.000 1.228 -0.000) 1.228 2.164 ( -0.000 -0.367 -0.000) 0.367 2.294 ( 0.000 0.667 -0.000) 0.667 2.387 ( 0.000 3.286 0.000) 3.286 2.421 ( 0.000 2.633 0.000) 2.633 2.519 ( 0.000 -2.762 0.000) 2.762 2.691 ( 0.000 9.230 -0.000) 9.230 2.755 ( 0.000 10.134 0.000) 10.134 2.813 ( 0.000 -5.117 -0.000) 5.117 2.937 ( 0.000 4.461 0.000) 4.461 2.976 ( 0.000 12.937 -0.000) 12.937 3.008 ( 0.000 2.248 0.000) 2.248 3.031 ( 0.000 4.078 -0.000) 4.078 3.195 ( 0.000 -1.298 0.000) 1.298 3.278 ( 0.000 1.603 -0.000) 1.603 3.292 ( 0.000 -4.104 -0.000) 4.104 3.369 ( 0.000 10.711 -0.000) 10.711 3.388 ( -0.000 3.978 0.000) 3.978 3.475 ( 0.000 2.419 -0.000) 2.419 3.536 ( 0.000 -2.891 -0.000) 2.891 3.579 ( -0.000 5.546 -0.000) 5.546 3.659 ( 0.000 2.114 -0.000) 2.114 3.798 ( 0.000 8.331 -0.000) 8.331 3.883 ( 0.000 12.080 -0.000) 12.080 4.100 ( 0.000 -9.554 -0.000) 9.554 4.130 ( 0.000 -11.905 0.000) 11.905 4.154 ( 0.000 -7.630 0.000) 7.630 4.175 ( -0.000 -11.290 -0.000) 11.290 4.268 ( -0.000 2.023 0.000) 2.023 4.354 ( 0.000 -8.245 -0.000) 8.245 4.431 ( -0.000 -6.956 -0.000) 6.956 4.441 ( 0.000 -3.621 0.000) 3.621 4.528 ( 0.000 -9.365 -0.000) 9.365 4.558 ( 0.000 -2.639 0.000) 2.639 4.661 ( 0.000 -3.640 -0.000) 3.640 4.703 ( 0.000 -2.616 -0.000) 2.616 4.815 ( 0.000 -0.752 -0.000) 0.752 4.913 ( 0.000 -5.907 -0.000) 5.907 4.953 ( 0.000 -2.679 -0.000) 2.679 5.004 ( 0.000 -12.538 0.000) 12.538 5.025 ( 0.000 -3.652 0.000) 3.652 5.209 ( 0.000 -8.200 -0.000) 8.200 5.347 ( 0.000 4.941 0.000) 4.941 5.511 ( 0.000 3.200 -0.000) 3.200 5.531 ( -0.000 6.775 0.000) 6.775 5.575 ( 0.000 4.486 0.000) 4.486 5.710 ( 0.000 2.741 -0.000) 2.741 5.725 ( -0.000 3.906 0.000) 3.906 5.812 ( 0.000 4.511 0.000) 4.511 5.904 ( 0.000 3.676 0.000) 3.676 5.919 ( 0.000 -3.073 0.000) 3.073 5.965 ( 0.000 2.822 -0.000) 2.822 5.977 ( 0.000 -0.275 -0.000) 0.275 6.157 ( 0.000 1.699 0.000) 1.699 6.254 ( 0.000 2.864 0.000) 2.864 6.456 ( 0.000 0.761 0.000) 0.761 6.662 ( 0.000 -0.263 -0.000) 0.263 6.688 ( 0.000 -4.154 0.000) 4.154 6.751 ( 0.000 2.774 -0.000) 2.774 6.884 ( 0.000 2.119 -0.000) 2.119 7.246 ( 0.000 0.491 -0.000) 0.491 7.315 ( 0.000 2.975 -0.000) 2.975 7.397 ( 0.000 -3.098 -0.000) 3.098 7.468 ( 0.000 2.839 -0.000) 2.839 7.581 ( 0.000 -2.860 0.000) 2.860 7.648 ( 0.000 -1.048 -0.000) 1.048 7.798 ( 0.000 -1.001 0.000) 1.001 7.856 ( 0.000 0.955 0.000) 0.955 7.860 ( 0.000 0.657 -0.000) 0.657 7.870 ( 0.000 -1.338 -0.000) 1.338 7.950 ( 0.000 0.616 0.000) 0.616 7.966 ( 0.000 2.802 -0.000) 2.802 8.058 ( 0.000 -1.963 0.000) 1.963 8.074 ( 0.000 -2.550 -0.000) 2.550 8.309 ( 0.000 4.814 -0.000) 4.814 8.373 ( 0.000 2.060 0.000) 2.060 8.428 ( 0.000 -2.701 -0.000) 2.701 8.433 ( -0.000 -1.532 0.000) 1.532 8.545 ( 0.000 1.581 0.000) 1.581 8.562 ( 0.000 0.434 -0.000) 0.434 8.646 ( 0.000 5.064 -0.000) 5.064 8.675 ( 0.000 3.262 -0.000) 3.262 8.739 ( 0.000 3.071 0.000) 3.071 8.819 ( 0.000 3.032 -0.000) 3.032 8.904 ( 0.000 3.658 -0.000) 3.658 8.937 ( 0.000 2.667 -0.000) 2.667 9.038 ( 0.000 -0.174 -0.000) 0.174 9.087 ( 0.000 -0.750 -0.000) 0.750 9.132 ( 0.000 0.086 -0.000) 0.086 9.160 ( 0.000 -1.060 0.000) 1.060 9.194 ( 0.000 -1.521 -0.000) 1.521 9.199 ( -0.000 0.339 0.000) 0.339 9.214 ( 0.000 -0.871 0.000) 0.871 9.274 ( -0.000 -0.144 -0.000) 0.144 9.282 ( 0.000 -0.839 0.000) 0.839 9.291 ( 0.000 -0.453 -0.000) 0.453 9.364 ( 0.000 -0.435 0.000) 0.435 9.390 ( 0.000 1.955 0.000) 1.955 9.397 ( -0.000 -2.066 -0.000) 2.066 9.529 ( 0.000 -3.993 -0.000) 3.993 9.566 ( -0.000 -1.282 -0.000) 1.282 9.616 ( 0.000 -3.090 -0.000) 3.090 9.821 ( 0.000 3.428 0.000) 3.428 9.861 ( 0.000 4.083 0.000) 4.083 9.871 ( -0.000 0.208 -0.000) 0.208 10.033 ( 0.000 1.775 0.000) 1.775 10.060 ( -0.000 -3.091 -0.000) 3.091 10.156 ( 0.000 -5.263 0.000) 5.263 10.228 ( 0.000 1.194 -0.000) 1.194 10.252 ( 0.000 1.793 -0.000) 1.793 10.425 ( 0.000 2.929 -0.000) 2.929 10.499 ( 0.000 0.046 -0.000) 0.046 10.503 ( -0.000 2.146 0.000) 2.146 10.578 ( 0.000 7.449 -0.000) 7.449 10.697 ( 0.000 -0.389 -0.000) 0.389 10.728 ( 0.000 1.424 -0.000) 1.424 10.751 ( 0.000 1.947 0.000) 1.947 10.866 ( 0.000 -3.009 0.000) 3.009 10.970 ( 0.000 0.101 -0.000) 0.101 11.086 ( 0.000 -1.432 -0.000) 1.432 11.180 ( 0.000 1.470 -0.000) 1.470 11.216 ( 0.000 2.529 0.000) 2.529 11.312 ( 0.000 4.460 -0.000) 4.460 11.363 ( 0.000 5.300 -0.000) 5.300 11.382 ( 0.000 0.329 0.000) 0.329 11.453 ( 0.000 1.648 -0.000) 1.648 11.488 ( -0.000 0.521 -0.000) 0.521 11.492 ( 0.000 -2.695 0.000) 2.695 11.561 ( 0.000 0.121 0.000) 0.121 11.596 ( 0.000 -0.902 0.000) 0.902 11.731 ( 0.000 -1.741 0.000) 1.741 11.789 ( 0.000 -0.016 -0.000) 0.016 11.804 ( -0.000 -0.194 0.000) 0.194 11.922 ( 0.000 -3.697 -0.000) 3.697 11.955 ( 0.000 2.910 0.000) 2.910 12.047 ( 0.000 1.474 0.000) 1.474 12.111 ( 0.000 1.672 -0.000) 1.672 12.111 ( -0.000 -0.357 0.000) 0.357 12.191 ( 0.000 0.632 0.000) 0.632 12.301 ( 0.000 -2.819 0.000) 2.819 12.341 ( 0.000 -2.707 0.000) 2.707 12.400 ( 0.000 -5.239 -0.000) 5.239 12.564 ( 0.000 -0.118 0.000) 0.118 12.644 ( 0.000 -3.586 0.000) 3.586 12.778 ( 0.000 3.532 -0.000) 3.532 13.055 ( 0.000 -3.413 0.000) 3.413 13.924 ( 0.000 -2.188 -0.000) 2.188 13.944 ( 0.000 -3.225 -0.000) 3.225 15.345 ( 0.000 -0.245 -0.000) 0.245 15.354 ( 0.000 -0.457 0.000) 0.457 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 17.930 0.000) 17.930 0.688 ( 0.000 19.252 0.000) 19.252 0.956 ( 0.000 -12.379 0.000) 12.379 1.035 ( 0.000 -10.949 0.000) 10.949 1.197 ( 0.000 11.560 0.000) 11.560 1.407 ( 0.000 -3.611 0.000) 3.611 1.479 ( 0.000 -2.245 0.000) 2.245 1.484 ( 0.000 -1.323 0.000) 1.323 1.555 ( 0.000 -5.505 0.000) 5.505 1.583 ( 0.000 -2.719 0.000) 2.719 1.623 ( 0.000 7.526 0.000) 7.526 1.643 ( 0.000 4.412 0.000) 4.412 1.726 ( 0.000 1.470 0.000) 1.470 1.758 ( 0.000 -4.855 0.000) 4.855 1.767 ( 0.000 -6.918 0.000) 6.918 1.874 ( 0.000 5.452 0.000) 5.452 1.891 ( 0.000 -10.861 0.000) 10.861 1.943 ( 0.000 1.314 0.000) 1.314 2.026 ( 0.000 2.714 0.000) 2.714 2.116 ( 0.000 -7.089 0.000) 7.089 2.162 ( 0.000 3.035 0.000) 3.035 2.258 ( 0.000 -4.283 0.000) 4.283 2.523 ( 0.000 4.883 0.000) 4.883 2.542 ( 0.000 6.826 0.000) 6.826 2.608 ( 0.000 0.861 0.000) 0.861 2.712 ( 0.000 -4.134 0.000) 4.134 2.931 ( 0.000 2.621 0.000) 2.621 2.958 ( 0.000 -4.341 0.000) 4.341 3.028 ( 0.000 -0.086 0.000) 0.086 3.041 ( 0.000 -4.166 0.000) 4.166 3.172 ( 0.000 5.096 0.000) 5.096 3.213 ( 0.000 -0.677 0.000) 0.677 3.327 ( 0.000 12.069 0.000) 12.069 3.355 ( 0.000 11.294 0.000) 11.294 3.358 ( 0.000 16.633 0.000) 16.633 3.438 ( 0.000 9.502 0.000) 9.502 3.581 ( 0.000 5.840 0.000) 5.840 3.610 ( 0.000 -3.077 0.000) 3.077 3.670 ( 0.000 -6.275 0.000) 6.275 3.780 ( 0.000 3.284 0.000) 3.284 3.843 ( 0.000 -9.760 0.000) 9.760 3.894 ( 0.000 -19.986 0.000) 19.986 4.001 ( 0.000 3.497 0.000) 3.497 4.004 ( 0.000 -6.792 0.000) 6.792 4.081 ( 0.000 3.328 0.000) 3.328 4.107 ( 0.000 -5.123 0.000) 5.123 4.201 ( 0.000 -3.497 0.000) 3.497 4.205 ( 0.000 4.381 0.000) 4.381 4.375 ( 0.000 -0.682 0.000) 0.682 4.393 ( 0.000 -3.430 0.000) 3.430 4.461 ( 0.000 -3.760 0.000) 3.760 4.495 ( 0.000 -5.150 0.000) 5.150 4.552 ( 0.000 4.693 0.000) 4.693 4.660 ( 0.000 0.323 0.000) 0.323 4.691 ( 0.000 -3.947 0.000) 3.947 4.717 ( 0.000 -9.554 0.000) 9.554 4.875 ( 0.000 -1.307 0.000) 1.307 4.916 ( 0.000 -4.672 0.000) 4.672 5.053 ( 0.000 0.649 0.000) 0.649 5.060 ( 0.000 -0.029 0.000) 0.029 5.223 ( 0.000 3.626 0.000) 3.626 5.277 ( 0.000 -2.499 0.000) 2.499 5.466 ( 0.000 5.734 0.000) 5.734 5.527 ( 0.000 0.374 0.000) 0.374 5.642 ( 0.000 4.306 0.000) 4.306 5.739 ( 0.000 -8.000 0.000) 8.000 5.783 ( 0.000 11.594 0.000) 11.594 5.943 ( 0.000 3.438 0.000) 3.438 5.960 ( 0.000 -0.914 0.000) 0.914 6.019 ( 0.000 -7.557 0.000) 7.557 6.196 ( 0.000 1.909 0.000) 1.909 6.246 ( 0.000 -4.590 0.000) 4.590 6.548 ( 0.000 2.461 0.000) 2.461 6.571 ( 0.000 -0.146 0.000) 0.146 6.778 ( 0.000 1.607 0.000) 1.607 6.802 ( 0.000 -0.869 0.000) 0.869 6.865 ( 0.000 2.767 0.000) 2.767 6.902 ( 0.000 -0.762 0.000) 0.762 7.210 ( 0.000 2.258 0.000) 2.258 7.241 ( 0.000 -1.138 0.000) 1.138 7.457 ( 0.000 -0.133 0.000) 0.133 7.471 ( 0.000 -1.499 0.000) 1.499 7.626 ( 0.000 0.682 0.000) 0.682 7.628 ( 0.000 0.676 0.000) 0.676 7.802 ( 0.000 3.061 0.000) 3.061 7.855 ( 0.000 -0.823 0.000) 0.823 7.861 ( 0.000 0.457 0.000) 0.457 7.885 ( 0.000 -3.080 0.000) 3.080 8.015 ( 0.000 -1.337 0.000) 1.337 8.020 ( 0.000 -1.826 0.000) 1.826 8.142 ( 0.000 1.476 0.000) 1.476 8.176 ( 0.000 -1.854 0.000) 1.854 8.237 ( 0.000 1.205 0.000) 1.205 8.259 ( 0.000 -0.938 0.000) 0.938 8.492 ( 0.000 0.830 0.000) 0.830 8.506 ( 0.000 -0.886 0.000) 0.886 8.586 ( 0.000 3.158 0.000) 3.158 8.624 ( 0.000 -0.891 0.000) 0.891 8.696 ( 0.000 2.838 0.000) 2.838 8.726 ( 0.000 -0.355 0.000) 0.355 8.796 ( 0.000 1.471 0.000) 1.471 8.813 ( 0.000 0.143 0.000) 0.143 8.868 ( 0.000 2.260 0.000) 2.260 8.908 ( 0.000 -2.169 0.000) 2.169 8.955 ( 0.000 6.687 0.000) 6.687 9.020 ( 0.000 4.348 0.000) 4.348 9.071 ( 0.000 -4.119 0.000) 4.119 9.123 ( 0.000 -4.220 0.000) 4.220 9.146 ( 0.000 0.210 0.000) 0.210 9.167 ( 0.000 -1.949 0.000) 1.949 9.297 ( 0.000 0.091 0.000) 0.091 9.298 ( 0.000 -0.034 0.000) 0.034 9.377 ( 0.000 3.350 0.000) 3.350 9.401 ( 0.000 1.783 0.000) 1.783 9.481 ( 0.000 2.175 0.000) 2.175 9.544 ( 0.000 -3.186 0.000) 3.186 9.613 ( 0.000 -2.244 0.000) 2.244 9.617 ( 0.000 -1.878 0.000) 1.878 9.678 ( 0.000 3.375 0.000) 3.375 9.722 ( 0.000 -0.350 0.000) 0.350 9.850 ( 0.000 3.157 0.000) 3.157 9.892 ( 0.000 -1.312 0.000) 1.312 9.948 ( 0.000 2.856 0.000) 2.856 10.016 ( 0.000 -3.679 0.000) 3.679 10.098 ( 0.000 1.172 0.000) 1.172 10.164 ( 0.000 -4.788 0.000) 4.788 10.393 ( 0.000 2.952 0.000) 2.952 10.421 ( 0.000 2.283 0.000) 2.283 10.485 ( 0.000 -2.967 0.000) 2.967 10.494 ( 0.000 -0.569 0.000) 0.569 10.532 ( 0.000 1.037 0.000) 1.037 10.541 ( 0.000 0.137 0.000) 0.137 10.765 ( 0.000 4.980 0.000) 4.980 10.807 ( 0.000 0.953 0.000) 0.953 10.823 ( 0.000 1.084 0.000) 1.084 10.834 ( 0.000 -0.884 0.000) 0.884 10.903 ( 0.000 -1.258 0.000) 1.258 10.951 ( 0.000 -6.566 0.000) 6.566 10.994 ( 0.000 2.319 0.000) 2.319 11.046 ( 0.000 -2.754 0.000) 2.754 11.208 ( 0.000 4.606 0.000) 4.606 11.284 ( 0.000 -2.640 0.000) 2.640 11.405 ( 0.000 2.613 0.000) 2.613 11.406 ( 0.000 1.967 0.000) 1.967 11.460 ( 0.000 3.250 0.000) 3.250 11.512 ( 0.000 -2.601 0.000) 2.601 11.600 ( 0.000 -0.459 0.000) 0.459 11.606 ( 0.000 -1.160 0.000) 1.160 11.782 ( 0.000 2.634 0.000) 2.634 11.816 ( 0.000 -0.962 0.000) 0.962 11.822 ( 0.000 1.460 0.000) 1.460 11.874 ( 0.000 -3.166 0.000) 3.166 12.122 ( 0.000 0.281 0.000) 0.281 12.134 ( 0.000 -2.107 0.000) 2.107 12.152 ( 0.000 3.646 0.000) 3.646 12.198 ( 0.000 3.617 0.000) 3.617 12.295 ( 0.000 -5.872 0.000) 5.872 12.306 ( 0.000 -3.201 0.000) 3.201 12.538 ( 0.000 1.323 0.000) 1.323 12.560 ( 0.000 -0.730 0.000) 0.730 12.617 ( 0.000 2.174 0.000) 2.174 12.675 ( 0.000 -2.911 0.000) 2.911 12.795 ( 0.000 4.221 0.000) 4.221 12.892 ( 0.000 -5.898 0.000) 5.898 13.697 ( 0.000 2.023 0.000) 2.023 13.742 ( 0.000 -2.465 0.000) 2.465 15.272 ( 0.000 0.025 0.000) 0.025 15.273 ( 0.000 -0.095 0.000) 0.095 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.674 ( 1.755 17.418 2.791) 17.728 0.727 ( 5.589 15.246 3.937) 16.709 0.985 ( 1.390 -9.453 2.336) 9.836 1.087 ( 2.670 -18.549 0.385) 18.744 1.310 ( 8.043 7.445 1.601) 11.076 1.359 ( -0.103 -1.359 -4.066) 4.289 1.448 ( -1.182 2.831 -2.236) 3.796 1.503 ( -3.892 -1.177 -0.839) 4.152 1.533 ( 1.059 0.079 0.847) 1.359 1.566 ( 1.349 4.343 -1.458) 4.775 1.658 ( 2.508 -4.244 -0.326) 4.940 1.672 ( 0.148 -6.935 -1.784) 7.162 1.727 ( 2.170 2.575 2.702) 4.318 1.784 ( 1.646 -6.204 1.236) 6.537 1.842 ( 3.645 -0.707 4.398) 5.755 1.881 ( 0.627 5.363 -0.984) 5.489 1.925 ( 0.296 -4.435 2.278) 4.995 1.944 ( 3.540 2.237 -3.171) 5.253 2.045 ( 3.536 -2.129 -4.325) 5.979 2.129 ( 1.749 -5.708 -1.228) 6.096 2.200 ( 2.039 3.338 3.621) 5.330 2.297 ( 3.350 -4.668 1.028) 5.837 2.529 ( 0.732 4.537 -0.945) 4.692 2.559 ( 0.281 3.316 0.561) 3.374 2.626 ( 3.070 6.633 -1.623) 7.487 2.751 ( 3.844 -2.836 -2.466) 5.376 2.914 ( -0.800 4.163 0.304) 4.250 2.975 ( 1.189 -4.351 0.200) 4.515 3.046 ( 0.718 -0.485 3.572) 3.676 3.060 ( 0.419 -2.564 0.617) 2.670 3.176 ( 0.046 1.975 -4.484) 4.900 3.191 ( -0.520 1.416 1.474) 2.109 3.304 ( -1.505 7.992 -1.730) 8.314 3.373 ( 0.582 17.615 0.672) 17.638 3.390 ( 3.373 9.262 -0.320) 9.862 3.445 ( 0.542 10.357 1.945) 10.552 3.553 ( -2.008 0.353 1.034) 2.286 3.629 ( 1.230 -0.931 -1.349) 2.049 3.663 ( 1.004 -4.022 -1.800) 4.519 3.759 ( -2.024 1.162 -1.439) 2.741 3.831 ( -1.844 -6.458 0.043) 6.717 3.901 ( 0.905 -13.209 -1.686) 13.347 3.961 ( -5.072 4.572 7.369) 10.046 4.015 ( -0.874 -0.434 -0.070) 0.978 4.051 ( 3.030 -8.921 -0.549) 9.438 4.144 ( 0.836 1.759 -3.635) 4.124 4.170 ( -1.698 -9.245 3.938) 10.191 4.214 ( -0.099 4.128 -0.944) 4.236 4.320 ( -4.226 -5.004 3.296) 7.333 4.354 ( -3.126 -6.167 -0.185) 6.916 4.468 ( -1.340 -1.528 -0.907) 2.225 4.509 ( 2.163 -3.075 -3.777) 5.329 4.578 ( 1.655 1.672 -1.495) 2.788 4.648 ( -0.497 -4.568 -1.832) 4.947 4.726 ( 3.532 -1.712 -3.410) 5.199 4.765 ( 3.125 -5.356 -2.942) 6.863 4.863 ( -0.167 -0.281 4.270) 4.282 4.909 ( -0.316 -4.385 4.620) 6.378 5.018 ( -2.616 3.852 -2.001) 5.068 5.111 ( 2.653 -4.203 -0.492) 4.995 5.266 ( 4.831 3.985 -0.762) 6.309 5.316 ( 3.041 -2.312 -0.120) 3.822 5.506 ( 3.292 4.961 4.060) 7.207 5.564 ( 4.703 2.296 -5.361) 7.492 5.630 ( -0.545 2.444 0.331) 2.526 5.718 ( -1.506 -6.666 0.970) 6.902 5.805 ( 1.029 10.702 5.317) 11.994 5.963 ( 1.317 1.934 5.145) 5.652 5.989 ( 2.404 0.716 -2.995) 3.907 6.016 ( -0.476 -6.074 -0.344) 6.103 6.133 ( -5.367 1.966 -0.094) 5.716 6.194 ( -4.613 -5.907 -1.188) 7.588 6.518 ( -2.880 3.801 -0.385) 4.784 6.562 ( -1.596 -0.681 0.178) 1.744 6.770 ( -1.456 2.156 2.065) 3.321 6.792 ( -2.710 0.274 -1.362) 3.045 6.843 ( 0.315 1.387 -0.478) 1.501 6.875 ( -2.378 -1.380 -1.442) 3.104 7.226 ( 1.367 2.590 -0.105) 2.930 7.269 ( 2.375 -1.818 -0.014) 2.990 7.445 ( -0.989 0.745 -1.194) 1.720 7.476 ( 0.395 -2.210 -1.158) 2.526 7.578 ( -2.898 2.060 1.196) 3.751 7.613 ( -1.523 -1.358 0.092) 2.043 7.780 ( -1.039 2.429 -0.869) 2.781 7.819 ( -1.657 -1.235 -0.484) 2.122 7.880 ( 0.880 0.685 0.305) 1.157 7.905 ( 0.845 -1.957 -0.311) 2.154 8.000 ( -0.612 -0.010 0.085) 0.618 8.023 ( -0.822 -2.081 0.181) 2.245 8.117 ( -2.893 1.708 1.776) 3.800 8.149 ( -2.820 -1.412 2.086) 3.781 8.247 ( 1.560 1.030 -0.996) 2.118 8.268 ( 1.394 -1.172 -1.430) 2.316 8.505 ( 0.841 1.880 0.170) 2.066 8.531 ( 1.257 -0.706 -0.093) 1.444 8.589 ( -0.331 1.865 1.108) 2.195 8.616 ( -0.879 -0.610 -0.468) 1.168 8.671 ( -1.166 3.474 0.320) 3.678 8.724 ( -0.388 -1.672 -0.783) 1.887 8.814 ( 0.457 2.347 0.209) 2.400 8.834 ( 2.348 0.306 0.127) 2.371 8.902 ( 3.374 1.891 -0.325) 3.882 8.919 ( 1.035 1.111 -0.539) 1.611 8.968 ( 1.914 4.040 -0.189) 4.474 9.039 ( 1.730 3.747 0.386) 4.145 9.059 ( -1.051 -2.876 -0.075) 3.063 9.139 ( 1.386 -4.531 0.683) 4.787 9.143 ( -0.537 -0.471 -0.900) 1.149 9.151 ( -0.650 -1.939 -0.857) 2.218 9.240 ( -3.185 2.431 0.098) 4.008 9.276 ( -2.251 -1.329 1.129) 2.847 9.346 ( -2.817 2.954 -0.584) 4.123 9.373 ( -2.817 0.711 -1.066) 3.095 9.458 ( -1.561 3.862 -1.076) 4.302 9.513 ( -4.003 -1.494 -0.513) 4.303 9.532 ( -6.149 -0.873 0.136) 6.212 9.558 ( -2.552 -2.490 0.714) 3.637 9.725 ( 1.378 1.252 1.269) 2.253 9.747 ( -0.322 -1.011 3.393) 3.555 9.875 ( 1.850 3.104 0.010) 3.614 9.891 ( -2.475 0.535 1.078) 2.752 9.937 ( 1.197 -0.108 0.522) 1.310 9.956 ( -4.428 -2.622 -1.357) 5.323 10.051 ( -1.712 2.396 -1.066) 3.132 10.144 ( -2.392 -6.225 -1.514) 6.838 10.365 ( -3.396 1.547 -0.816) 3.820 10.376 ( -3.409 0.474 -1.311) 3.683 10.470 ( -0.157 1.602 -0.662) 1.740 10.494 ( -0.476 -1.209 -2.108) 2.477 10.548 ( 1.077 2.442 0.228) 2.679 10.573 ( 3.427 -0.262 -0.710) 3.509 10.710 ( -2.566 2.084 -0.113) 3.308 10.754 ( -3.482 -1.874 0.184) 3.959 10.789 ( -0.984 1.448 0.448) 1.807 10.847 ( 0.830 -2.737 0.641) 2.931 10.983 ( 4.533 1.828 5.113) 7.074 11.018 ( 2.435 -0.980 5.489) 6.084 11.080 ( 6.568 2.470 -2.543) 7.463 11.122 ( 5.076 -1.543 -1.247) 5.450 11.241 ( 4.124 1.957 -1.972) 4.973 11.297 ( 2.668 -3.639 -2.629) 5.222 11.389 ( -0.858 2.566 -0.885) 2.847 11.440 ( -0.933 -1.308 -0.330) 1.640 11.458 ( 1.963 4.088 -0.254) 4.542 11.490 ( -1.321 -0.064 1.709) 2.161 11.595 ( 0.368 0.336 -1.960) 2.023 11.628 ( 2.253 -2.200 -2.149) 3.812 11.753 ( -2.747 2.753 0.695) 3.950 11.778 ( -2.287 0.037 -1.659) 2.826 11.865 ( 2.185 0.387 3.125) 3.833 11.904 ( 1.871 -2.914 1.543) 3.792 12.106 ( -1.747 -1.028 -1.035) 2.277 12.116 ( -0.974 1.212 -0.637) 1.681 12.128 ( -2.696 2.630 -2.575) 4.562 12.195 ( -1.441 5.107 1.556) 5.530 12.243 ( -2.613 -5.815 -3.357) 7.205 12.297 ( -1.421 -4.596 0.968) 4.907 12.441 ( -9.660 4.403 3.592) 11.207 12.523 ( -9.955 -3.311 1.108) 10.549 12.562 ( -0.209 2.026 -0.134) 2.041 12.594 ( -0.301 -1.294 0.644) 1.476 12.825 ( 1.957 3.654 -0.671) 4.199 12.915 ( 1.504 -5.490 -0.572) 5.721 13.762 ( 4.631 0.142 0.424) 4.652 13.795 ( 4.134 -2.972 0.518) 5.118 15.289 ( 1.533 0.031 0.033) 1.534 15.291 ( 1.628 -0.184 -0.117) 1.643 ======================= Grid point 16 (11/42) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 5.856 9.223 2.751) 11.266 0.883 ( 7.178 8.270 4.000) 11.658 1.027 ( 1.914 -6.798 2.757) 7.582 1.046 ( -5.651 -13.705 -1.069) 14.863 1.358 ( -0.658 -1.170 -1.494) 2.009 1.408 ( -1.954 -0.533 -2.790) 3.448 1.452 ( 2.643 2.602 -1.546) 4.018 1.496 ( 5.785 0.962 -1.215) 5.988 1.567 ( 3.761 -0.833 -0.323) 3.865 1.631 ( -1.838 -5.972 -1.373) 6.397 1.646 ( 3.272 -0.997 1.382) 3.689 1.709 ( 0.992 -4.357 1.254) 4.641 1.769 ( 0.287 -0.508 1.720) 1.816 1.784 ( -1.076 -5.104 0.143) 5.218 1.832 ( -1.894 2.711 0.607) 3.363 1.930 ( 0.810 -4.601 0.743) 4.730 1.995 ( 6.347 5.392 -2.250) 8.627 2.041 ( 6.652 8.662 -0.795) 10.950 2.123 ( 3.272 -4.323 -1.194) 5.552 2.196 ( 3.156 -4.859 0.548) 5.820 2.242 ( 2.436 4.172 3.109) 5.745 2.365 ( 2.089 -6.300 2.587) 7.124 2.516 ( -2.203 4.237 -1.545) 5.019 2.540 ( -1.950 1.996 -0.132) 2.794 2.722 ( 4.577 7.710 0.392) 8.975 2.821 ( 2.638 -0.305 -3.416) 4.327 2.917 ( 1.175 6.456 0.293) 6.569 2.986 ( 0.474 1.957 -2.225) 3.001 3.054 ( -0.199 -1.846 2.312) 2.965 3.094 ( 2.657 0.258 4.180) 4.960 3.145 ( -0.232 -0.206 -4.930) 4.939 3.198 ( 0.309 -4.543 -3.516) 5.753 3.306 ( 0.320 11.036 0.954) 11.082 3.338 ( -4.291 9.187 5.335) 11.457 3.431 ( 2.681 11.056 -2.169) 11.582 3.496 ( 2.813 6.591 -1.346) 7.291 3.573 ( 3.175 -2.836 -0.447) 4.281 3.633 ( 0.496 -0.700 -0.222) 0.887 3.693 ( -1.796 2.847 0.424) 3.393 3.712 ( -1.788 0.432 -3.640) 4.079 3.796 ( 1.951 5.068 2.187) 5.854 3.851 ( -3.250 -3.258 3.373) 5.706 3.949 ( -0.919 -10.619 1.059) 10.711 4.014 ( 1.271 -5.671 -0.457) 5.829 4.081 ( -1.027 -4.423 1.343) 4.735 4.126 ( -1.027 -3.667 0.658) 3.864 4.161 ( -1.484 -2.527 -0.167) 2.936 4.183 ( -2.002 0.436 0.185) 2.058 4.268 ( -0.665 -9.197 0.470) 9.233 4.309 ( -1.053 -8.614 -0.340) 8.684 4.425 ( -1.396 2.515 0.989) 3.042 4.532 ( 0.319 -5.297 -2.938) 6.065 4.597 ( 1.283 0.187 -2.801) 3.087 4.644 ( 0.681 -6.319 -2.763) 6.930 4.772 ( 0.309 -0.577 2.892) 2.965 4.806 ( 3.432 -2.253 -0.139) 4.108 4.909 ( 1.953 -0.475 0.899) 2.202 4.923 ( -2.525 5.569 0.431) 6.130 4.943 ( -0.745 -3.164 -1.583) 3.615 5.095 ( -3.802 -9.763 -3.193) 10.952 5.401 ( 7.636 5.447 -2.138) 9.620 5.427 ( 8.366 1.745 -1.398) 8.660 5.592 ( 1.987 2.737 5.762) 6.682 5.639 ( 2.701 3.402 -1.186) 4.503 5.684 ( 5.655 -0.075 -1.242) 5.790 5.707 ( 0.759 -4.076 0.299) 4.157 5.836 ( 0.861 8.018 6.061) 10.088 5.971 ( -3.639 -0.883 4.330) 5.724 5.988 ( -3.086 -1.920 0.311) 3.648 5.994 ( -3.401 0.100 0.228) 3.410 6.048 ( 0.321 3.423 -1.848) 3.903 6.113 ( -0.840 -4.981 -0.233) 5.057 6.436 ( -4.293 5.496 -1.340) 7.101 6.502 ( -3.628 -1.307 -0.750) 3.929 6.682 ( -5.243 0.990 -0.770) 5.391 6.713 ( -5.469 -1.425 -0.019) 5.652 6.835 ( -0.483 2.405 -0.836) 2.591 6.874 ( 1.605 -1.019 0.198) 1.912 7.255 ( 1.341 2.658 -0.364) 3.000 7.314 ( 1.502 -3.297 -0.054) 3.624 7.411 ( -1.575 2.990 -1.641) 3.757 7.472 ( -0.037 -2.792 -1.255) 3.062 7.558 ( 0.362 2.252 1.059) 2.514 7.604 ( 0.563 -2.042 1.383) 2.530 7.777 ( 1.347 1.564 -2.796) 3.475 7.808 ( 1.020 -1.295 -2.403) 2.914 7.887 ( -0.583 0.674 1.754) 1.968 7.902 ( -1.329 -0.806 1.200) 1.964 7.990 ( -1.788 0.216 0.441) 1.854 7.996 ( 0.123 -0.593 0.390) 0.720 8.056 ( -3.196 1.322 1.769) 3.885 8.086 ( -3.550 -1.591 1.915) 4.336 8.297 ( 3.432 0.365 -0.679) 3.518 8.307 ( 2.807 -1.018 -1.477) 3.332 8.494 ( -2.283 3.222 0.671) 4.005 8.522 ( -3.128 0.733 0.553) 3.260 8.567 ( -0.458 0.783 0.053) 0.909 8.584 ( -1.679 -0.760 -0.676) 1.963 8.685 ( 1.718 2.501 0.069) 3.035 8.719 ( 0.298 -0.475 -0.758) 0.943 8.816 ( -0.144 3.489 -0.396) 3.515 8.864 ( -0.071 -0.373 0.536) 0.657 8.955 ( 2.446 3.431 -1.652) 4.526 8.963 ( 1.763 3.661 0.577) 4.104 9.028 ( 1.334 -2.029 -0.170) 2.435 9.047 ( 1.071 -3.109 -0.618) 3.346 9.080 ( 2.277 3.489 0.327) 4.179 9.124 ( 0.345 0.605 1.067) 1.274 9.138 ( 0.786 -0.639 -0.366) 1.077 9.175 ( -0.792 -3.521 0.254) 3.618 9.240 ( 3.857 0.588 0.710) 3.965 9.268 ( 2.766 -1.735 0.209) 3.272 9.284 ( -2.277 1.686 -1.708) 3.308 9.318 ( -2.068 1.056 0.495) 2.375 9.365 ( -5.830 -0.090 -0.551) 5.856 9.405 ( -5.148 -0.054 0.161) 5.151 9.448 ( -2.619 1.326 0.256) 2.946 9.509 ( -2.826 -2.148 0.224) 3.556 9.647 ( -7.873 -0.099 0.001) 7.873 9.680 ( -8.242 -2.640 1.413) 8.769 9.845 ( 0.730 1.869 -0.046) 2.007 9.888 ( -0.949 -1.153 -0.335) 1.530 9.930 ( 2.012 3.842 0.874) 4.424 9.996 ( 2.798 -0.516 1.745) 3.338 10.046 ( 0.716 -0.954 -1.999) 2.328 10.083 ( -2.528 -3.570 -0.821) 4.451 10.291 ( -2.758 1.673 -0.520) 3.267 10.307 ( -2.564 0.224 -0.162) 2.579 10.464 ( -0.110 1.501 -0.176) 1.516 10.486 ( 0.121 -0.737 -0.888) 1.161 10.566 ( 0.588 4.324 -0.337) 4.376 10.634 ( 1.720 -1.708 -1.072) 2.651 10.697 ( 0.238 1.874 0.748) 2.032 10.729 ( 0.220 -1.618 -0.768) 1.805 10.781 ( 0.851 2.865 -2.713) 4.037 10.841 ( -0.785 -2.016 -0.251) 2.178 11.024 ( -1.632 2.075 6.067) 6.616 11.050 ( 0.205 -0.820 3.932) 4.022 11.188 ( 4.439 3.235 -1.192) 5.621 11.228 ( 3.733 -0.589 0.715) 3.846 11.337 ( 1.052 0.926 -1.399) 1.980 11.360 ( 3.283 0.184 -2.021) 3.859 11.373 ( 1.249 -0.893 -0.741) 1.705 11.402 ( 1.585 -3.419 -2.451) 4.495 11.497 ( 2.477 3.515 -1.183) 4.460 11.511 ( 1.920 2.526 -1.686) 3.593 11.608 ( 0.430 1.378 0.566) 1.551 11.664 ( -2.744 2.345 -1.837) 4.050 11.692 ( 0.598 -1.713 2.685) 3.240 11.719 ( -2.764 -1.701 -0.514) 3.287 11.886 ( -2.692 -0.392 0.436) 2.755 11.898 ( -3.046 -1.158 -2.967) 4.407 12.032 ( -3.578 2.952 2.391) 5.218 12.070 ( -0.447 -2.092 -0.212) 2.150 12.105 ( 0.451 3.535 -0.069) 3.565 12.150 ( -1.087 0.970 0.580) 1.568 12.223 ( -0.499 -0.735 -1.119) 1.429 12.276 ( -0.487 -5.092 1.228) 5.260 12.306 ( -3.981 -0.338 1.761) 4.366 12.334 ( -7.171 -2.023 0.406) 7.462 12.563 ( -0.118 0.846 0.768) 1.149 12.591 ( -0.528 -2.204 0.390) 2.299 12.853 ( 0.992 4.369 -0.181) 4.484 12.948 ( 1.737 -5.131 -0.530) 5.443 13.847 ( 3.232 -0.773 0.264) 3.334 13.867 ( 2.336 -2.677 0.317) 3.567 15.324 ( 1.571 0.003 0.050) 1.572 15.327 ( 1.630 -0.340 -0.126) 1.670 ======================= Grid point 17 (12/42) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 0.000 -1.450 0.000) 1.450 0.908 ( -0.000 -4.354 -0.000) 4.354 0.983 ( -0.000 3.606 -0.000) 3.606 1.055 ( 0.000 -3.793 -0.000) 3.793 1.334 ( 0.000 0.033 -0.000) 0.033 1.379 ( 0.000 -0.839 -0.000) 0.839 1.487 ( 0.000 2.584 -0.000) 2.584 1.576 ( 0.000 -2.847 -0.000) 2.847 1.596 ( 0.000 -7.646 0.000) 7.646 1.649 ( 0.000 2.436 0.000) 2.436 1.656 ( 0.000 -7.601 0.000) 7.601 1.712 ( 0.000 -2.753 -0.000) 2.753 1.763 ( 0.000 -0.275 0.000) 0.275 1.767 ( 0.000 -3.940 0.000) 3.940 1.816 ( 0.000 3.728 0.000) 3.728 1.939 ( 0.000 -5.856 -0.000) 5.856 2.067 ( 0.000 4.626 -0.000) 4.626 2.135 ( -0.000 0.336 0.000) 0.336 2.178 ( -0.000 4.990 0.000) 4.990 2.202 ( 0.000 3.125 0.000) 3.125 2.295 ( 0.000 0.761 -0.000) 0.761 2.384 ( 0.000 -5.219 0.000) 5.219 2.479 ( 0.000 2.933 0.000) 2.933 2.503 ( 0.000 1.042 0.000) 1.042 2.768 ( 0.000 1.771 0.000) 1.771 2.826 ( 0.000 -1.228 -0.000) 1.228 2.933 ( 0.000 7.759 -0.000) 7.759 3.016 ( 0.000 12.676 0.000) 12.676 3.052 ( 0.000 -1.680 -0.000) 1.680 3.136 ( 0.000 -0.007 -0.000) 0.007 3.150 ( 0.000 -2.511 -0.000) 2.511 3.206 ( 0.000 -4.810 -0.000) 4.810 3.260 ( -0.000 10.416 0.000) 10.416 3.305 ( 0.000 5.295 0.000) 5.295 3.523 ( 0.000 2.318 -0.000) 2.318 3.528 ( -0.000 9.623 0.000) 9.623 3.555 ( 0.000 8.087 -0.000) 8.087 3.601 ( 0.000 3.882 -0.000) 3.882 3.687 ( 0.000 2.983 0.000) 2.983 3.711 ( 0.000 0.762 -0.000) 0.762 3.829 ( 0.000 -4.550 -0.000) 4.550 3.833 ( 0.000 -7.675 -0.000) 7.675 3.933 ( 0.000 -10.393 0.000) 10.393 4.036 ( 0.000 -12.591 -0.000) 12.591 4.070 ( 0.000 5.661 0.000) 5.661 4.107 ( -0.000 7.116 0.000) 7.116 4.109 ( 0.000 -1.164 -0.000) 1.164 4.171 ( 0.000 -11.119 0.000) 11.119 4.267 ( 0.000 -10.167 0.000) 10.167 4.302 ( 0.000 -9.873 -0.000) 9.873 4.429 ( 0.000 5.102 -0.000) 5.102 4.517 ( 0.000 -3.548 -0.000) 3.548 4.616 ( 0.000 -2.412 0.000) 2.412 4.646 ( 0.000 -6.117 0.000) 6.117 4.794 ( 0.000 2.394 0.000) 2.394 4.838 ( -0.000 2.743 -0.000) 2.743 4.894 ( 0.000 -2.177 0.000) 2.177 4.906 ( 0.000 -2.380 0.000) 2.380 4.961 ( 0.000 -1.823 0.000) 1.823 5.020 ( 0.000 -9.422 -0.000) 9.422 5.494 ( 0.000 8.211 0.000) 8.211 5.583 ( 0.000 3.859 -0.000) 3.859 5.586 ( -0.000 0.024 0.000) 0.024 5.649 ( 0.000 -1.475 -0.000) 1.475 5.742 ( 0.000 0.750 -0.000) 0.750 5.744 ( 0.000 -0.205 0.000) 0.205 5.878 ( 0.000 3.364 0.000) 3.364 5.909 ( 0.000 0.960 0.000) 0.960 5.919 ( -0.000 -1.825 0.000) 1.825 5.949 ( 0.000 -1.304 -0.000) 1.304 6.064 ( 0.000 4.429 -0.000) 4.429 6.120 ( 0.000 -2.005 0.000) 2.005 6.381 ( 0.000 6.160 -0.000) 6.160 6.454 ( 0.000 -1.490 -0.000) 1.490 6.626 ( 0.000 -1.752 -0.000) 1.752 6.629 ( -0.000 -1.734 0.000) 1.734 6.833 ( 0.000 4.306 0.000) 4.306 6.892 ( 0.000 -1.432 -0.000) 1.432 7.269 ( 0.000 2.114 -0.000) 2.114 7.326 ( 0.000 -3.534 -0.000) 3.534 7.392 ( 0.000 4.379 -0.000) 4.379 7.474 ( 0.000 -3.413 -0.000) 3.413 7.568 ( 0.000 2.425 -0.000) 2.425 7.617 ( 0.000 -2.146 -0.000) 2.146 7.798 ( 0.000 0.969 0.000) 0.969 7.829 ( -0.000 -1.971 0.000) 1.971 7.873 ( 0.000 0.738 -0.000) 0.738 7.879 ( 0.000 0.297 0.000) 0.297 7.972 ( 0.000 1.862 0.000) 1.862 8.008 ( 0.000 1.040 -0.000) 1.040 8.022 ( 0.000 -2.325 -0.000) 2.325 8.033 ( 0.000 -1.016 0.000) 1.016 8.344 ( 0.000 0.367 0.000) 0.367 8.362 ( 0.000 -1.635 0.000) 1.635 8.452 ( 0.000 2.731 0.000) 2.731 8.460 ( 0.000 2.002 0.000) 2.002 8.564 ( 0.000 0.023 -0.000) 0.023 8.566 ( 0.000 0.245 0.000) 0.245 8.715 ( 0.000 1.665 0.000) 1.665 8.715 ( -0.000 1.221 -0.000) 1.221 8.812 ( 0.000 3.703 0.000) 3.703 8.855 ( 0.000 -0.031 0.000) 0.031 8.978 ( 0.000 1.833 -0.000) 1.833 8.985 ( 0.000 4.095 -0.000) 4.095 9.024 ( 0.000 -2.080 0.000) 2.080 9.052 ( 0.000 -2.776 -0.000) 2.776 9.110 ( 0.000 -0.094 -0.000) 0.094 9.137 ( 0.000 -1.749 0.000) 1.749 9.197 ( -0.000 0.112 0.000) 0.112 9.199 ( 0.000 1.328 -0.000) 1.328 9.218 ( -0.000 0.735 -0.000) 0.735 9.251 ( 0.000 -1.745 -0.000) 1.745 9.295 ( 0.000 2.217 0.000) 2.217 9.330 ( 0.000 0.961 -0.000) 0.961 9.343 ( 0.000 -0.312 -0.000) 0.312 9.354 ( 0.000 -1.556 -0.000) 1.556 9.435 ( 0.000 2.129 -0.000) 2.129 9.477 ( 0.000 1.026 -0.000) 1.026 9.522 ( 0.000 -4.467 -0.000) 4.467 9.533 ( 0.000 -4.035 -0.000) 4.035 9.870 ( -0.000 1.022 -0.000) 1.022 9.874 ( 0.000 0.093 -0.000) 0.093 9.953 ( 0.000 5.161 0.000) 5.161 10.033 ( 0.000 0.636 0.000) 0.636 10.049 ( 0.000 -1.432 -0.000) 1.432 10.056 ( 0.000 -4.052 0.000) 4.052 10.264 ( 0.000 1.882 -0.000) 1.882 10.280 ( 0.000 0.523 0.000) 0.523 10.465 ( 0.000 1.451 -0.000) 1.451 10.488 ( 0.000 -0.895 0.000) 0.895 10.572 ( 0.000 4.323 -0.000) 4.323 10.646 ( 0.000 -2.412 0.000) 2.412 10.687 ( 0.000 1.710 0.000) 1.710 10.736 ( 0.000 -2.935 -0.000) 2.935 10.794 ( 0.000 4.309 -0.000) 4.309 10.841 ( 0.000 -0.487 0.000) 0.487 11.005 ( 0.000 2.811 -0.000) 2.811 11.053 ( 0.000 -2.045 0.000) 2.045 11.238 ( 0.000 3.783 -0.000) 3.783 11.254 ( 0.000 1.562 0.000) 1.562 11.324 ( 0.000 -1.843 -0.000) 1.843 11.355 ( 0.000 -2.490 0.000) 2.490 11.433 ( 0.000 0.961 0.000) 0.961 11.473 ( 0.000 -0.878 0.000) 0.878 11.521 ( 0.000 3.874 -0.000) 3.874 11.538 ( 0.000 2.140 -0.000) 2.140 11.596 ( 2.498 3.314 -2.599) 4.897 11.596 ( -2.498 5.053 2.599) 6.207 11.677 ( 0.000 -3.917 0.000) 3.917 11.736 ( 0.000 -6.061 -0.000) 6.061 11.810 ( 0.000 1.092 0.000) 1.092 11.850 ( 0.000 -2.857 0.000) 2.857 12.017 ( 0.000 3.148 0.000) 3.148 12.069 ( 0.000 -1.875 -0.000) 1.875 12.125 ( 0.000 4.094 0.000) 4.094 12.155 ( -0.000 2.449 -0.000) 2.449 12.207 ( 0.000 0.909 0.000) 0.909 12.247 ( 0.000 -2.881 0.000) 2.881 12.269 ( 0.000 -3.445 -0.000) 3.445 12.283 ( 0.000 -5.550 -0.000) 5.550 12.562 ( 0.000 0.193 0.000) 0.193 12.584 ( 0.000 -2.217 -0.000) 2.217 12.864 ( 0.000 5.151 -0.000) 5.151 12.968 ( 0.000 -5.285 0.000) 5.285 13.884 ( 0.000 -1.358 -0.000) 1.358 13.888 ( -0.000 -1.889 0.000) 1.889 15.341 ( 0.000 -0.029 -0.000) 0.029 15.345 ( 0.000 -0.398 0.000) 0.398 ======================= Grid point 35 (13/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 5.043 0.000 19.873) 20.503 0.402 ( 1.250 0.000 20.474) 20.512 0.822 ( 0.408 0.000 40.289) 40.291 1.045 ( -0.122 0.000 -11.653) 11.654 1.133 ( -3.045 0.000 -19.179) 19.419 1.251 ( 1.115 0.000 11.214) 11.270 1.391 ( 4.447 0.000 2.627) 5.165 1.519 ( -3.098 0.000 1.894) 3.631 1.619 ( 0.406 0.000 -1.510) 1.563 1.694 ( 1.541 0.000 -4.199) 4.473 1.742 ( -1.714 0.000 -1.778) 2.469 1.813 ( -1.722 0.000 0.555) 1.809 1.842 ( 0.601 0.000 -4.002) 4.047 1.865 ( -0.602 0.000 0.286) 0.666 1.942 ( -2.075 0.000 -0.858) 2.245 1.989 ( 1.404 0.000 3.767) 4.020 2.020 ( 1.689 0.000 2.288) 2.844 2.063 ( -0.134 0.000 -3.013) 3.016 2.125 ( 3.535 0.000 0.191) 3.540 2.127 ( -1.422 0.000 -3.791) 4.049 2.202 ( -4.070 0.000 4.751) 6.256 2.231 ( -0.858 0.000 -1.122) 1.413 2.409 ( -1.880 0.000 -5.703) 6.005 2.437 ( 2.145 0.000 -4.394) 4.890 2.491 ( 0.350 0.000 0.901) 0.966 2.557 ( 1.394 0.000 1.250) 1.872 2.652 ( 1.941 0.000 -0.877) 2.130 2.765 ( -0.630 0.000 -4.365) 4.410 2.898 ( -1.890 0.000 4.342) 4.736 2.946 ( -0.240 0.000 1.121) 1.146 2.972 ( 1.352 0.000 -0.350) 1.397 3.109 ( 3.572 0.000 -7.811) 8.589 3.225 ( -3.890 0.000 4.220) 5.739 3.263 ( -2.143 0.000 1.371) 2.544 3.311 ( 3.370 0.000 -1.615) 3.737 3.428 ( -0.519 0.000 2.754) 2.803 3.473 ( -1.878 0.000 3.585) 4.047 3.517 ( 2.516 0.000 -3.752) 4.517 3.753 ( 0.192 0.000 3.692) 3.697 3.812 ( -2.415 0.000 -3.433) 4.197 3.831 ( -1.943 0.000 -0.971) 2.173 3.839 ( 4.246 0.000 -7.157) 8.322 3.909 ( 1.372 0.000 1.077) 1.744 4.092 ( -0.712 0.000 2.234) 2.345 4.141 ( -2.078 0.000 5.170) 5.572 4.284 ( -11.212 0.000 10.126) 15.107 4.362 ( 1.546 0.000 -8.781) 8.916 4.389 ( 0.679 0.000 -1.585) 1.724 4.413 ( 3.446 0.000 -2.290) 4.138 4.477 ( 2.735 0.000 -6.903) 7.425 4.580 ( 1.683 0.000 -1.910) 2.545 4.585 ( -3.076 0.000 -1.083) 3.261 4.673 ( -4.556 0.000 -2.093) 5.013 4.721 ( 0.342 0.000 -7.910) 7.917 4.821 ( 1.945 0.000 10.380) 10.561 4.924 ( -0.825 0.000 -2.751) 2.872 4.971 ( -1.511 0.000 -3.982) 4.259 5.122 ( 5.867 0.000 7.351) 9.405 5.135 ( 0.274 0.000 2.342) 2.358 5.190 ( -1.843 0.000 6.666) 6.916 5.238 ( 0.628 0.000 -0.916) 1.110 5.241 ( 3.470 0.000 2.584) 4.327 5.292 ( -0.242 0.000 2.853) 2.863 5.457 ( -0.083 0.000 4.619) 4.620 5.499 ( -1.431 0.000 2.693) 3.050 5.525 ( -2.508 0.000 -4.880) 5.487 5.794 ( -0.646 0.000 0.451) 0.787 5.933 ( 2.188 0.000 -7.885) 8.183 5.989 ( -0.824 0.000 -2.838) 2.955 6.092 ( 0.327 0.000 8.479) 8.485 6.134 ( 1.852 0.000 -4.070) 4.472 6.397 ( -3.682 0.000 4.183) 5.572 6.524 ( -0.091 0.000 -2.919) 2.920 6.540 ( -0.270 0.000 -7.570) 7.574 6.667 ( -0.873 0.000 1.867) 2.061 6.789 ( -0.943 0.000 -2.885) 3.035 6.814 ( 2.695 0.000 3.345) 4.295 6.874 ( -0.760 0.000 0.502) 0.911 7.136 ( -0.745 0.000 0.965) 1.219 7.228 ( 0.769 0.000 -3.434) 3.519 7.454 ( -1.529 0.000 -0.496) 1.607 7.502 ( -0.224 0.000 -2.062) 2.074 7.564 ( 1.664 0.000 4.043) 4.373 7.678 ( -3.266 0.000 1.053) 3.431 7.748 ( -3.056 0.000 2.615) 4.022 7.850 ( -0.336 0.000 -0.154) 0.369 7.856 ( 2.224 0.000 0.402) 2.260 7.939 ( 0.257 0.000 -2.562) 2.575 8.085 ( 0.691 0.000 -0.158) 0.709 8.100 ( 1.270 0.000 -1.004) 1.619 8.146 ( -0.429 0.000 0.922) 1.017 8.160 ( -0.528 0.000 0.946) 1.083 8.221 ( -0.725 0.000 1.497) 1.663 8.272 ( 0.923 0.000 -0.625) 1.115 8.383 ( 1.799 0.000 0.196) 1.809 8.394 ( 0.101 0.000 -0.702) 0.709 8.559 ( 0.734 0.000 0.877) 1.143 8.595 ( -0.163 0.000 -0.109) 0.196 8.658 ( -0.748 0.000 -0.837) 1.122 8.666 ( -1.215 0.000 -0.245) 1.240 8.721 ( 1.198 0.000 0.596) 1.338 8.751 ( -0.415 0.000 0.335) 0.533 8.784 ( 0.087 0.000 3.121) 3.122 8.847 ( 0.995 0.000 -0.883) 1.330 8.879 ( -0.398 0.000 -0.198) 0.444 8.975 ( -0.061 0.000 -3.782) 3.783 9.059 ( -4.056 0.000 0.561) 4.095 9.104 ( 1.149 0.000 -1.387) 1.801 9.208 ( 1.238 0.000 2.060) 2.404 9.221 ( -1.803 0.000 0.482) 1.866 9.289 ( -2.123 0.000 -1.091) 2.387 9.304 ( 0.447 0.000 -0.710) 0.839 9.320 ( 0.588 0.000 1.603) 1.708 9.417 ( -1.800 0.000 -2.691) 3.237 9.429 ( -6.413 0.000 0.769) 6.459 9.457 ( 2.103 0.000 -0.545) 2.173 9.534 ( 6.646 0.000 1.707) 6.861 9.572 ( -2.962 0.000 -0.068) 2.962 9.702 ( -0.396 0.000 0.362) 0.537 9.717 ( -0.285 0.000 -0.058) 0.291 9.800 ( 2.204 0.000 1.561) 2.701 9.865 ( -2.400 0.000 -1.185) 2.677 10.113 ( 1.626 0.000 1.951) 2.540 10.153 ( -2.241 0.000 -0.027) 2.241 10.188 ( -1.094 0.000 1.685) 2.010 10.252 ( 7.477 0.000 -1.594) 7.645 10.309 ( -0.418 0.000 1.028) 1.110 10.347 ( 1.242 0.000 -1.529) 1.970 10.451 ( -4.547 0.000 -3.195) 5.558 10.484 ( -0.067 0.000 -2.621) 2.622 10.654 ( -19.419 0.000 0.904) 19.440 10.676 ( -5.042 0.000 -1.446) 5.246 10.720 ( 6.979 0.000 1.459) 7.130 10.743 ( -5.672 0.000 0.910) 5.744 10.853 ( -1.216 0.000 0.944) 1.540 10.863 ( -2.416 0.000 -0.289) 2.433 10.887 ( 4.012 0.000 1.097) 4.159 10.888 ( 3.141 0.000 -0.639) 3.205 11.084 ( -6.472 0.000 0.541) 6.495 11.129 ( 3.922 0.000 1.776) 4.305 11.142 ( 6.225 0.000 -1.356) 6.371 11.176 ( -0.885 0.000 0.731) 1.148 11.360 ( 1.891 0.000 0.281) 1.912 11.362 ( 3.682 0.000 0.470) 3.711 11.428 ( -3.128 0.000 0.451) 3.161 11.432 ( -3.887 0.000 2.158) 4.446 11.544 ( -1.402 0.000 0.843) 1.636 11.658 ( -0.476 0.000 0.010) 0.476 11.663 ( -0.385 0.000 0.219) 0.443 11.744 ( -1.477 0.000 6.373) 6.541 11.773 ( 2.851 0.000 -4.980) 5.739 11.956 ( 0.889 0.000 0.146) 0.901 11.966 ( 3.872 0.000 3.977) 5.550 12.055 ( -1.086 0.000 -2.933) 3.127 12.187 ( -3.158 0.000 -0.552) 3.206 12.205 ( -0.797 0.000 -0.905) 1.206 12.230 ( 1.148 0.000 -0.314) 1.190 12.298 ( 2.175 0.000 -3.971) 4.528 12.577 ( -0.477 0.000 -0.257) 0.542 12.582 ( -3.891 0.000 1.669) 4.234 12.627 ( 4.454 0.000 -1.287) 4.636 12.690 ( 0.318 0.000 -1.986) 2.012 13.093 ( -0.650 0.000 2.739) 2.815 13.191 ( -5.239 0.000 -1.455) 5.438 13.683 ( 7.481 0.000 1.422) 7.615 13.761 ( 0.681 0.000 -1.754) 1.881 15.273 ( 0.167 0.000 0.076) 0.184 15.276 ( -0.193 0.000 -0.031) 0.196 ======================= Grid point 36 (14/42) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 10.165 0.000 15.314) 18.381 0.678 ( 13.981 0.000 16.244) 21.432 1.019 ( 6.659 0.000 4.227) 7.887 1.107 ( 9.025 0.000 10.953) 14.192 1.150 ( 8.845 0.000 -17.586) 19.685 1.334 ( 4.839 0.000 11.450) 12.430 1.478 ( -0.827 0.000 -0.935) 1.248 1.515 ( 5.094 0.000 3.420) 6.135 1.621 ( 0.446 0.000 -3.693) 3.719 1.685 ( -2.245 0.000 -1.459) 2.677 1.705 ( 1.143 0.000 -4.463) 4.607 1.797 ( -2.515 0.000 4.727) 5.354 1.841 ( -1.527 0.000 0.660) 1.663 1.862 ( 1.251 0.000 0.441) 1.326 1.896 ( -1.283 0.000 -2.570) 2.873 1.984 ( -1.157 0.000 1.484) 1.882 2.039 ( -0.492 0.000 0.837) 0.970 2.046 ( -0.524 0.000 -1.732) 1.810 2.121 ( 2.157 0.000 -6.218) 6.581 2.188 ( 2.332 0.000 1.628) 2.844 2.238 ( 5.775 0.000 0.394) 5.788 2.245 ( 2.058 0.000 0.162) 2.064 2.344 ( -2.105 0.000 -5.681) 6.059 2.469 ( 1.726 0.000 -0.792) 1.899 2.539 ( 3.316 0.000 0.054) 3.316 2.576 ( -0.139 0.000 0.924) 0.934 2.694 ( 2.048 0.000 -1.170) 2.359 2.794 ( 4.438 0.000 -4.887) 6.601 2.875 ( -0.683 0.000 1.375) 1.536 2.978 ( 1.135 0.000 4.173) 4.325 3.035 ( 3.595 0.000 -2.103) 4.165 3.074 ( -2.644 0.000 -3.150) 4.113 3.175 ( -0.525 0.000 -0.563) 0.770 3.260 ( 0.689 0.000 1.929) 2.049 3.378 ( 3.487 0.000 0.002) 3.487 3.422 ( -0.644 0.000 1.731) 1.847 3.435 ( -2.500 0.000 1.356) 2.844 3.515 ( -1.120 0.000 -2.469) 2.711 3.707 ( -5.340 0.000 6.123) 8.125 3.790 ( 2.137 0.000 -5.462) 5.865 3.805 ( -1.195 0.000 -1.178) 1.678 3.853 ( -4.714 0.000 -1.738) 5.024 3.961 ( 2.416 0.000 0.379) 2.446 4.085 ( -0.061 0.000 0.736) 0.739 4.119 ( -0.170 0.000 3.951) 3.954 4.148 ( -0.382 0.000 6.821) 6.832 4.363 ( 1.121 0.000 -11.323) 11.379 4.413 ( 1.059 0.000 -0.019) 1.059 4.434 ( 0.388 0.000 3.833) 3.852 4.506 ( 1.677 0.000 -6.076) 6.303 4.608 ( 0.911 0.000 -0.421) 1.004 4.621 ( 4.057 0.000 -0.518) 4.090 4.652 ( 2.189 0.000 -4.004) 4.564 4.745 ( 3.215 0.000 -2.031) 3.802 4.842 ( -1.376 0.000 4.024) 4.253 4.931 ( -2.186 0.000 -0.250) 2.200 4.996 ( 3.904 0.000 1.042) 4.041 5.121 ( -0.031 0.000 5.784) 5.784 5.179 ( -0.206 0.000 -5.028) 5.032 5.182 ( -0.081 0.000 3.377) 3.378 5.267 ( 2.641 0.000 0.118) 2.644 5.328 ( 3.475 0.000 0.239) 3.483 5.397 ( 4.673 0.000 8.182) 9.423 5.469 ( 0.112 0.000 5.941) 5.942 5.480 ( 1.064 0.000 -3.128) 3.304 5.509 ( 3.728 0.000 -3.308) 4.984 5.771 ( -1.024 0.000 -3.864) 3.997 5.929 ( -3.892 0.000 -2.068) 4.407 5.942 ( -0.134 0.000 -6.989) 6.990 6.078 ( -4.307 0.000 8.448) 9.482 6.115 ( -2.403 0.000 -3.288) 4.073 6.313 ( -5.178 0.000 6.257) 8.122 6.506 ( -1.015 0.000 -1.167) 1.547 6.538 ( 1.781 0.000 -8.849) 9.026 6.607 ( -5.545 0.000 3.657) 6.642 6.738 ( -2.560 0.000 -2.521) 3.593 6.850 ( -2.128 0.000 -2.303) 3.135 6.862 ( 0.875 0.000 2.409) 2.563 7.146 ( 1.488 0.000 0.571) 1.594 7.265 ( 3.753 0.000 -2.843) 4.708 7.417 ( -2.399 0.000 1.255) 2.708 7.508 ( 1.392 0.000 -1.886) 2.344 7.582 ( -5.255 0.000 1.501) 5.465 7.604 ( 1.836 0.000 2.900) 3.432 7.713 ( -1.474 0.000 1.517) 2.115 7.814 ( -2.558 0.000 -0.665) 2.643 7.908 ( 2.238 0.000 0.492) 2.292 7.937 ( -0.069 0.000 -1.325) 1.327 8.075 ( -1.620 0.000 -0.601) 1.728 8.086 ( -2.856 0.000 -0.213) 2.864 8.127 ( -1.026 0.000 0.788) 1.294 8.129 ( -1.351 0.000 0.081) 1.353 8.230 ( 0.682 0.000 1.303) 1.470 8.319 ( 3.683 0.000 -0.491) 3.716 8.396 ( -0.684 0.000 -0.327) 0.758 8.417 ( 2.152 0.000 -0.963) 2.357 8.571 ( -0.005 0.000 0.990) 0.990 8.592 ( 0.051 0.000 -0.736) 0.738 8.632 ( -1.947 0.000 0.171) 1.954 8.644 ( -0.723 0.000 -0.379) 0.816 8.735 ( 0.147 0.000 0.382) 0.410 8.739 ( -1.680 0.000 -0.726) 1.830 8.839 ( 3.709 0.000 3.488) 5.091 8.868 ( -0.224 0.000 4.117) 4.123 8.921 ( 4.618 0.000 -0.270) 4.625 8.959 ( -2.736 0.000 -0.178) 2.742 8.992 ( 3.078 0.000 -2.846) 4.192 9.124 ( 1.015 0.000 -1.033) 1.448 9.175 ( -2.449 0.000 0.266) 2.463 9.175 ( -1.748 0.000 0.995) 2.011 9.288 ( -1.043 0.000 -0.502) 1.157 9.290 ( 3.452 0.000 2.648) 4.351 9.317 ( -1.152 0.000 2.188) 2.473 9.360 ( -2.581 0.000 -1.467) 2.969 9.418 ( 0.714 0.000 -1.206) 1.401 9.450 ( -3.227 0.000 -0.398) 3.251 9.526 ( -0.442 0.000 -1.101) 1.187 9.559 ( -4.080 0.000 -0.220) 4.086 9.738 ( -0.110 0.000 -0.520) 0.531 9.753 ( 3.820 0.000 0.680) 3.881 9.831 ( -1.090 0.000 1.499) 1.853 9.856 ( 0.999 0.000 0.811) 1.287 10.053 ( -10.516 0.000 8.288) 13.389 10.064 ( -1.887 0.000 1.142) 2.205 10.183 ( -2.180 0.000 -1.629) 2.721 10.189 ( -3.129 0.000 -0.541) 3.176 10.308 ( -2.734 0.000 3.366) 4.337 10.335 ( -3.590 0.000 -1.252) 3.802 10.337 ( 2.279 0.000 -2.048) 3.064 10.473 ( 0.078 0.000 -2.417) 2.418 10.507 ( -1.167 0.000 -0.327) 1.211 10.541 ( -6.363 0.000 1.897) 6.640 10.735 ( -1.633 0.000 -1.084) 1.960 10.791 ( -5.291 0.000 1.099) 5.404 10.811 ( -0.890 0.000 0.769) 1.176 10.834 ( 2.827 0.000 -0.836) 2.948 10.922 ( 0.643 0.000 -1.140) 1.309 10.982 ( 5.073 0.000 -3.839) 6.362 11.000 ( 4.716 0.000 3.123) 5.657 11.182 ( 4.902 0.000 -0.421) 4.920 11.236 ( 0.476 0.000 1.748) 1.812 11.289 ( -4.011 0.000 0.030) 4.011 11.348 ( 5.155 0.000 -2.518) 5.737 11.372 ( 0.233 0.000 2.134) 2.146 11.485 ( 5.435 0.000 -1.635) 5.676 11.495 ( 0.222 0.000 3.873) 3.880 11.532 ( 3.792 0.000 -1.779) 4.189 11.632 ( -2.116 0.000 0.036) 2.116 11.656 ( -0.044 0.000 0.695) 0.696 11.725 ( -0.970 0.000 6.475) 6.547 11.828 ( 3.624 0.000 -1.736) 4.018 11.974 ( 0.390 0.000 -2.137) 2.172 12.033 ( 1.640 0.000 -0.334) 1.674 12.034 ( -0.261 0.000 -1.845) 1.863 12.133 ( -2.098 0.000 2.784) 3.486 12.163 ( -2.831 0.000 -0.908) 2.973 12.223 ( -1.841 0.000 -0.506) 1.910 12.341 ( 3.103 0.000 -3.923) 5.002 12.461 ( -5.997 0.000 0.657) 6.033 12.509 ( -5.448 0.000 -1.060) 5.550 12.674 ( -1.361 0.000 -1.019) 1.700 12.729 ( 3.545 0.000 -0.596) 3.595 12.877 ( -11.983 0.000 12.671) 17.439 13.043 ( -3.399 0.000 -1.074) 3.565 13.835 ( 5.569 0.000 -0.100) 5.570 13.906 ( 6.352 0.000 -5.882) 8.657 15.291 ( 1.660 0.000 -0.233) 1.676 15.295 ( 1.763 0.000 0.253) 1.781 ======================= Grid point 37 (15/42) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 7.562 0.000 9.807) 12.384 0.953 ( 9.102 0.000 14.180) 16.850 1.145 ( 8.054 0.000 -9.960) 12.809 1.230 ( -1.414 0.000 10.061) 10.160 1.327 ( 10.359 0.000 -11.232) 15.280 1.440 ( 1.231 0.000 -1.991) 2.341 1.534 ( -2.475 0.000 -2.667) 3.638 1.550 ( 4.396 0.000 4.888) 6.574 1.618 ( -1.513 0.000 -0.081) 1.515 1.700 ( 5.598 0.000 6.703) 8.733 1.726 ( 1.826 0.000 -4.078) 4.468 1.750 ( -2.733 0.000 9.248) 9.644 1.785 ( -1.968 0.000 -2.488) 3.173 1.897 ( 1.394 0.000 2.041) 2.472 1.901 ( 0.926 0.000 1.071) 1.416 1.994 ( 0.894 0.000 1.422) 1.680 2.013 ( -0.997 0.000 -1.476) 1.781 2.052 ( 1.516 0.000 -3.985) 4.263 2.161 ( 2.255 0.000 -3.879) 4.487 2.189 ( -3.323 0.000 -0.501) 3.361 2.283 ( 1.123 0.000 2.418) 2.666 2.301 ( 2.339 0.000 -2.770) 3.625 2.416 ( 8.008 0.000 -3.311) 8.665 2.508 ( 1.970 0.000 0.056) 1.971 2.559 ( -1.578 0.000 2.116) 2.640 2.591 ( 1.834 0.000 -0.149) 1.840 2.697 ( -2.218 0.000 -2.747) 3.531 2.868 ( 1.452 0.000 -5.052) 5.257 2.898 ( 3.434 0.000 -4.126) 5.368 2.960 ( -2.324 0.000 -6.463) 6.869 2.971 ( -1.806 0.000 9.421) 9.592 3.159 ( 5.317 0.000 -0.787) 5.375 3.219 ( 2.496 0.000 -2.247) 3.358 3.310 ( 3.723 0.000 4.177) 5.595 3.388 ( -2.623 0.000 0.145) 2.627 3.390 ( -0.579 0.000 0.636) 0.860 3.466 ( 5.101 0.000 -0.607) 5.137 3.499 ( -1.652 0.000 0.078) 1.654 3.592 ( -4.980 0.000 6.258) 7.998 3.718 ( -6.887 0.000 1.949) 7.158 3.746 ( -3.664 0.000 -0.821) 3.754 3.876 ( 6.362 0.000 -8.246) 10.415 3.913 ( -5.643 0.000 8.748) 10.410 4.111 ( 3.098 0.000 -2.473) 3.964 4.233 ( 7.792 0.000 1.789) 7.995 4.265 ( 8.655 0.000 3.670) 9.401 4.356 ( 0.987 0.000 -3.094) 3.248 4.400 ( -1.974 0.000 1.138) 2.278 4.450 ( -0.369 0.000 -4.032) 4.049 4.562 ( 5.018 0.000 -1.876) 5.357 4.568 ( -6.296 0.000 0.872) 6.356 4.646 ( -2.377 0.000 3.024) 3.847 4.690 ( 1.993 0.000 -3.158) 3.734 4.812 ( 2.570 0.000 2.985) 3.939 4.853 ( 3.554 0.000 -1.685) 3.933 4.866 ( -4.195 0.000 0.349) 4.209 5.013 ( -2.286 0.000 -0.242) 2.299 5.069 ( -3.751 0.000 -6.206) 7.252 5.213 ( 1.808 0.000 5.761) 6.038 5.242 ( 5.098 0.000 1.863) 5.427 5.309 ( 0.968 0.000 0.300) 1.013 5.395 ( -2.006 0.000 -1.617) 2.576 5.446 ( 7.171 0.000 -2.723) 7.671 5.504 ( 1.792 0.000 4.137) 4.508 5.534 ( 3.086 0.000 -0.334) 3.104 5.662 ( 7.159 0.000 -5.556) 9.062 5.745 ( 1.315 0.000 -5.704) 5.854 5.851 ( -2.601 0.000 3.862) 4.656 5.879 ( -3.687 0.000 -5.488) 6.612 5.981 ( -5.898 0.000 6.775) 8.983 6.055 ( -2.517 0.000 -0.815) 2.646 6.239 ( -4.044 0.000 9.102) 9.960 6.462 ( -3.170 0.000 -2.318) 3.927 6.480 ( -7.472 0.000 7.164) 10.352 6.533 ( 0.322 0.000 -11.586) 11.591 6.714 ( 0.894 0.000 -2.150) 2.329 6.773 ( -3.818 0.000 -2.152) 4.382 6.857 ( -1.470 0.000 -0.057) 1.471 7.197 ( 3.118 0.000 1.115) 3.312 7.350 ( 4.665 0.000 -2.686) 5.383 7.365 ( -3.121 0.000 2.760) 4.166 7.479 ( -4.634 0.000 -1.170) 4.779 7.557 ( 3.855 0.000 -0.617) 3.904 7.651 ( 1.683 0.000 1.290) 2.121 7.703 ( 0.254 0.000 0.712) 0.756 7.774 ( -0.458 0.000 -2.008) 2.060 7.929 ( -0.512 0.000 0.694) 0.863 7.940 ( 0.874 0.000 0.596) 1.058 8.009 ( -3.618 0.000 1.645) 3.975 8.031 ( -2.974 0.000 0.881) 3.102 8.102 ( -1.357 0.000 0.255) 1.381 8.111 ( -1.074 0.000 -1.234) 1.636 8.240 ( 0.045 0.000 1.452) 1.453 8.360 ( -1.154 0.000 -2.391) 2.655 8.418 ( 4.418 0.000 1.800) 4.770 8.465 ( 2.519 0.000 -0.613) 2.593 8.568 ( -0.242 0.000 -0.411) 0.477 8.573 ( -3.288 0.000 -0.033) 3.288 8.589 ( -2.460 0.000 1.029) 2.666 8.616 ( -0.667 0.000 0.823) 1.059 8.694 ( -0.808 0.000 -1.434) 1.646 8.745 ( 1.128 0.000 -0.161) 1.140 8.879 ( 0.016 0.000 2.581) 2.581 8.904 ( 1.396 0.000 2.123) 2.541 8.969 ( 3.512 0.000 -1.003) 3.653 9.053 ( 7.260 0.000 0.678) 7.291 9.090 ( 6.550 0.000 -1.862) 6.809 9.118 ( -1.900 0.000 0.241) 1.916 9.155 ( 1.692 0.000 -0.142) 1.698 9.176 ( 1.024 0.000 -1.562) 1.867 9.230 ( -4.432 0.000 0.172) 4.435 9.305 ( -2.276 0.000 -1.274) 2.608 9.335 ( 0.661 0.000 -0.690) 0.956 9.376 ( 2.229 0.000 2.742) 3.534 9.388 ( -4.106 0.000 0.809) 4.185 9.398 ( 0.643 0.000 -0.182) 0.668 9.453 ( -3.783 0.000 0.030) 3.783 9.489 ( -2.875 0.000 -1.107) 3.081 9.688 ( -4.510 0.000 -0.297) 4.520 9.749 ( -5.927 0.000 0.344) 5.937 9.817 ( 1.529 0.000 0.485) 1.604 9.817 ( -2.570 0.000 3.630) 4.447 9.929 ( -4.788 0.000 3.025) 5.663 10.054 ( -4.774 0.000 -2.235) 5.271 10.125 ( 0.673 0.000 2.945) 3.021 10.169 ( 1.654 0.000 -4.409) 4.710 10.231 ( -3.687 0.000 -0.713) 3.755 10.283 ( -0.750 0.000 2.906) 3.002 10.382 ( 1.438 0.000 1.260) 1.912 10.442 ( -2.407 0.000 0.193) 2.415 10.471 ( -0.266 0.000 -1.998) 2.016 10.486 ( -0.392 0.000 -2.939) 2.965 10.712 ( 0.049 0.000 -1.212) 1.213 10.737 ( -1.633 0.000 1.828) 2.451 10.771 ( -1.503 0.000 2.489) 2.907 10.877 ( 1.522 0.000 -1.473) 2.118 10.973 ( 2.454 0.000 1.845) 3.070 11.101 ( 3.215 0.000 2.751) 4.232 11.101 ( 7.264 0.000 -3.433) 8.034 11.208 ( -3.078 0.000 -0.557) 3.128 11.210 ( -1.613 0.000 1.342) 2.098 11.265 ( 2.244 0.000 -0.602) 2.323 11.406 ( 1.873 0.000 3.032) 3.564 11.439 ( 3.662 0.000 0.102) 3.664 11.486 ( 0.681 0.000 2.748) 2.831 11.548 ( -2.620 0.000 -0.716) 2.717 11.554 ( 1.273 0.000 -3.385) 3.616 11.579 ( -2.215 0.000 1.311) 2.574 11.684 ( 2.309 0.000 -0.349) 2.335 11.764 ( 2.426 0.000 6.619) 7.050 11.890 ( 0.495 0.000 -3.342) 3.378 11.961 ( 1.463 0.000 -1.289) 1.950 12.001 ( -5.562 0.000 0.640) 5.599 12.023 ( -1.165 0.000 -1.344) 1.779 12.104 ( -1.930 0.000 -0.973) 2.162 12.113 ( -1.084 0.000 2.054) 2.322 12.181 ( -0.502 0.000 -0.371) 0.624 12.376 ( -2.211 0.000 -0.116) 2.214 12.392 ( -4.709 0.000 -0.375) 4.724 12.393 ( 2.386 0.000 -4.159) 4.795 12.639 ( -2.059 0.000 1.528) 2.564 12.738 ( -1.741 0.000 -1.939) 2.606 12.770 ( -3.163 0.000 8.869) 9.416 13.010 ( 1.351 0.000 -5.552) 5.714 13.931 ( 2.967 0.000 0.886) 3.096 13.963 ( 1.474 0.000 -2.045) 2.521 15.331 ( 2.015 0.000 -0.377) 2.050 15.333 ( 1.606 0.000 0.327) 1.639 ======================= Grid point 38 (16/42) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -3.885 0.000 5.868) 7.038 1.105 ( -1.584 0.000 11.815) 11.921 1.153 ( -3.355 0.000 8.057) 8.727 1.261 ( 3.746 0.000 -9.810) 10.501 1.445 ( 0.946 0.000 -5.087) 5.175 1.483 ( 3.541 0.000 0.061) 3.542 1.492 ( 1.451 0.000 -3.693) 3.967 1.562 ( -1.247 0.000 1.381) 1.861 1.570 ( -1.181 0.000 -1.518) 1.923 1.723 ( -0.064 0.000 -6.913) 6.913 1.725 ( -6.970 0.000 3.579) 7.835 1.757 ( -2.445 0.000 7.371) 7.766 1.811 ( 3.794 0.000 -2.943) 4.801 1.921 ( -0.101 0.000 2.728) 2.730 1.922 ( 2.390 0.000 6.928) 7.328 1.980 ( -3.420 0.000 2.938) 4.508 2.053 ( 4.333 0.000 -2.057) 4.796 2.077 ( 1.628 0.000 -3.152) 3.548 2.095 ( -4.361 0.000 -0.933) 4.460 2.160 ( -0.747 0.000 -2.468) 2.578 2.306 ( 0.221 0.000 2.101) 2.113 2.363 ( 3.336 0.000 -1.407) 3.621 2.470 ( -2.063 0.000 4.026) 4.524 2.529 ( -0.077 0.000 -0.966) 0.969 2.588 ( 3.668 0.000 -3.014) 4.747 2.605 ( -4.082 0.000 -5.913) 7.185 2.633 ( 1.499 0.000 3.112) 3.454 2.822 ( -0.514 0.000 -6.022) 6.044 2.958 ( 2.322 0.000 0.729) 2.434 2.964 ( 1.510 0.000 -10.102) 10.214 3.017 ( 4.247 0.000 1.332) 4.451 3.181 ( -4.618 0.000 2.312) 5.165 3.207 ( -1.709 0.000 -0.279) 1.732 3.324 ( -5.263 0.000 0.142) 5.265 3.380 ( -2.532 0.000 7.167) 7.601 3.410 ( 1.746 0.000 1.710) 2.444 3.422 ( 1.091 0.000 0.939) 1.439 3.578 ( 5.121 0.000 0.277) 5.129 3.616 ( 0.313 0.000 3.593) 3.607 3.648 ( 2.757 0.000 -1.973) 3.390 3.655 ( -3.958 0.000 -1.412) 4.202 3.846 ( -2.589 0.000 12.926) 13.183 3.976 ( 6.046 0.000 -11.103) 12.642 4.186 ( 3.440 0.000 -3.477) 4.891 4.301 ( -3.442 0.000 0.143) 3.445 4.376 ( -7.253 0.000 2.383) 7.634 4.379 ( 0.815 0.000 4.088) 4.168 4.408 ( 6.395 0.000 2.994) 7.061 4.463 ( 4.566 0.000 -7.847) 9.078 4.522 ( -8.731 0.000 4.383) 9.769 4.531 ( 8.645 0.000 7.568) 11.490 4.615 ( -2.244 0.000 -4.812) 5.309 4.706 ( 0.074 0.000 -1.479) 1.481 4.794 ( -2.976 0.000 -0.100) 2.978 4.858 ( 2.243 0.000 1.903) 2.941 4.917 ( -1.693 0.000 -0.196) 1.705 4.962 ( 2.112 0.000 -4.155) 4.661 5.027 ( 1.511 0.000 -3.991) 4.268 5.241 ( -5.103 0.000 -3.603) 6.247 5.247 ( -0.031 0.000 4.571) 4.572 5.328 ( 1.012 0.000 0.671) 1.214 5.367 ( -0.791 0.000 -0.196) 0.815 5.482 ( -4.187 0.000 -4.832) 6.394 5.541 ( -0.290 0.000 1.788) 1.812 5.570 ( 2.249 0.000 -7.205) 7.548 5.703 ( -5.335 0.000 -0.058) 5.336 5.746 ( 5.110 0.000 -5.399) 7.434 5.835 ( 1.303 0.000 -2.243) 2.594 5.865 ( -3.524 0.000 13.081) 13.547 5.992 ( 6.750 0.000 1.367) 6.887 6.027 ( 0.360 0.000 0.238) 0.431 6.206 ( 0.067 0.000 6.345) 6.346 6.394 ( -1.348 0.000 -5.247) 5.417 6.396 ( -1.813 0.000 11.884) 12.021 6.491 ( -0.700 0.000 -13.074) 13.092 6.697 ( -0.032 0.000 -2.266) 2.266 6.789 ( 3.998 0.000 0.195) 4.003 6.820 ( -1.593 0.000 -1.898) 2.478 7.265 ( 2.228 0.000 2.236) 3.156 7.314 ( -1.667 0.000 2.875) 3.324 7.380 ( -3.041 0.000 -3.226) 4.433 7.436 ( 2.809 0.000 -1.737) 3.302 7.632 ( 1.742 0.000 1.301) 2.175 7.653 ( -1.887 0.000 -0.471) 1.945 7.734 ( 3.505 0.000 -2.701) 4.425 7.790 ( 2.533 0.000 -3.305) 4.164 7.919 ( -1.456 0.000 2.226) 2.660 7.948 ( -2.440 0.000 2.084) 3.209 7.954 ( -2.139 0.000 3.086) 3.755 7.970 ( -0.875 0.000 2.661) 2.802 8.087 ( -0.041 0.000 -0.806) 0.808 8.090 ( 0.487 0.000 -1.103) 1.206 8.245 ( 0.094 0.000 1.739) 1.742 8.330 ( -0.870 0.000 -2.014) 2.194 8.470 ( -2.491 0.000 -0.102) 2.493 8.488 ( -1.239 0.000 -0.523) 1.345 8.531 ( 2.547 0.000 1.245) 2.834 8.561 ( -0.106 0.000 1.873) 1.876 8.570 ( 1.503 0.000 -1.019) 1.816 8.634 ( 1.727 0.000 0.846) 1.923 8.691 ( 0.350 0.000 -0.946) 1.009 8.761 ( -0.342 0.000 -1.630) 1.666 8.891 ( 1.252 0.000 2.003) 2.362 8.912 ( -0.737 0.000 0.562) 0.927 9.052 ( 2.450 0.000 1.079) 2.677 9.091 ( -0.457 0.000 0.344) 0.572 9.127 ( -4.763 0.000 -0.832) 4.835 9.158 ( 1.974 0.000 0.211) 1.985 9.175 ( 0.484 0.000 -3.582) 3.615 9.209 ( 1.028 0.000 1.629) 1.926 9.227 ( 1.839 0.000 -1.379) 2.299 9.249 ( -0.252 0.000 -1.119) 1.147 9.271 ( -2.795 0.000 -0.454) 2.831 9.307 ( 0.738 0.000 -1.659) 1.816 9.393 ( -0.407 0.000 2.256) 2.292 9.413 ( 0.422 0.000 0.321) 0.531 9.422 ( -2.646 0.000 3.273) 4.209 9.550 ( 7.357 0.000 -2.410) 7.741 9.600 ( -7.138 0.000 1.227) 7.243 9.637 ( 1.680 0.000 -0.472) 1.745 9.810 ( -0.140 0.000 2.902) 2.906 9.825 ( -0.385 0.000 0.555) 0.675 9.870 ( -0.426 0.000 0.410) 0.591 9.974 ( 0.077 0.000 -2.830) 2.831 10.139 ( -0.793 0.000 1.926) 2.083 10.194 ( 1.298 0.000 -2.247) 2.595 10.227 ( 2.122 0.000 2.711) 3.443 10.278 ( -0.703 0.000 1.577) 1.727 10.389 ( -0.573 0.000 0.595) 0.826 10.433 ( -0.417 0.000 -0.976) 1.061 10.456 ( 0.567 0.000 -2.452) 2.516 10.482 ( 0.624 0.000 -3.281) 3.340 10.694 ( -1.741 0.000 0.633) 1.853 10.725 ( 0.968 0.000 -0.083) 0.972 10.768 ( -0.873 0.000 4.127) 4.219 10.896 ( 0.604 0.000 -1.323) 1.454 11.005 ( -0.083 0.000 2.805) 2.806 11.137 ( 0.260 0.000 2.845) 2.857 11.169 ( -0.248 0.000 0.152) 0.291 11.205 ( 0.353 0.000 1.550) 1.590 11.218 ( 2.363 0.000 -4.063) 4.700 11.297 ( 3.701 0.000 -0.653) 3.758 11.444 ( -0.462 0.000 3.678) 3.706 11.449 ( -4.337 0.000 3.056) 5.306 11.504 ( -1.508 0.000 -1.769) 2.325 11.513 ( 1.718 0.000 3.111) 3.554 11.547 ( 3.625 0.000 -0.554) 3.667 11.605 ( 2.353 0.000 -0.364) 2.381 11.717 ( 0.688 0.000 -4.360) 4.414 11.828 ( -3.090 0.000 -6.676) 7.356 11.834 ( -1.353 0.000 6.975) 7.105 11.847 ( -4.168 0.000 4.078) 5.831 11.979 ( -1.771 0.000 -1.324) 2.212 12.039 ( 3.806 0.000 0.738) 3.877 12.094 ( 0.951 0.000 -1.098) 1.453 12.102 ( 0.108 0.000 -1.110) 1.115 12.203 ( 1.648 0.000 2.025) 2.611 12.333 ( -1.071 0.000 0.357) 1.129 12.358 ( 0.237 0.000 -0.362) 0.433 12.390 ( -1.505 0.000 -6.329) 6.506 12.598 ( -2.594 0.000 2.635) 3.697 12.709 ( 0.187 0.000 -2.417) 2.424 12.750 ( -1.310 0.000 5.866) 6.011 13.034 ( 1.712 0.000 -5.663) 5.917 13.953 ( -0.824 0.000 0.468) 0.948 13.976 ( 0.319 0.000 -0.516) 0.607 15.349 ( -0.281 0.000 0.134) 0.311 15.357 ( 0.387 0.000 -0.204) 0.438 ======================= Grid point 39 (17/42) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -12.462 0.000 6.676) 14.138 0.908 ( -14.682 0.000 13.218) 19.756 1.187 ( -2.786 0.000 10.277) 10.648 1.233 ( -3.315 0.000 -9.490) 10.052 1.336 ( -18.777 0.000 4.605) 19.334 1.404 ( -2.690 0.000 -3.369) 4.312 1.467 ( -2.262 0.000 -10.647) 10.885 1.578 ( 1.933 0.000 3.716) 4.189 1.597 ( 1.822 0.000 -0.941) 2.051 1.647 ( 2.795 0.000 3.562) 4.528 1.707 ( -0.274 0.000 -6.464) 6.470 1.776 ( 1.321 0.000 7.016) 7.140 1.839 ( -2.063 0.000 5.580) 5.949 1.906 ( -1.412 0.000 -1.531) 2.083 1.938 ( 1.532 0.000 2.534) 2.961 1.957 ( -0.440 0.000 3.531) 3.558 2.019 ( -3.348 0.000 -1.543) 3.687 2.092 ( 0.421 0.000 -2.297) 2.335 2.096 ( 0.310 0.000 -3.668) 3.681 2.161 ( 1.224 0.000 -3.049) 3.285 2.293 ( -1.521 0.000 -0.037) 1.521 2.412 ( 2.074 0.000 -2.893) 3.560 2.470 ( 0.721 0.000 5.137) 5.188 2.486 ( -2.884 0.000 -5.598) 6.297 2.539 ( -1.433 0.000 -1.375) 1.986 2.568 ( -6.194 0.000 0.254) 6.199 2.655 ( -0.449 0.000 2.309) 2.352 2.855 ( 4.507 0.000 -6.456) 7.873 2.927 ( -1.783 0.000 -9.768) 9.929 2.986 ( -0.531 0.000 3.521) 3.561 3.034 ( -4.662 0.000 5.537) 7.238 3.092 ( -6.889 0.000 3.827) 7.881 3.164 ( 4.483 0.000 -4.674) 6.477 3.298 ( 4.322 0.000 -6.801) 8.059 3.378 ( 0.289 0.000 0.418) 0.508 3.394 ( -3.912 0.000 2.664) 4.733 3.407 ( -2.889 0.000 5.961) 6.624 3.543 ( -3.875 0.000 1.754) 4.253 3.650 ( 2.412 0.000 1.839) 3.033 3.717 ( 5.550 0.000 -0.810) 5.609 3.745 ( 5.840 0.000 0.260) 5.846 3.851 ( -1.143 0.000 7.661) 7.746 4.066 ( 4.581 0.000 -8.236) 9.424 4.169 ( -5.975 0.000 1.965) 6.290 4.202 ( -4.451 0.000 1.858) 4.823 4.309 ( -0.634 0.000 5.794) 5.828 4.340 ( -6.613 0.000 -0.356) 6.623 4.377 ( -1.252 0.000 -5.991) 6.121 4.502 ( 1.460 0.000 4.248) 4.492 4.543 ( 1.567 0.000 -3.299) 3.652 4.613 ( 4.487 0.000 -5.991) 7.485 4.669 ( -1.531 0.000 3.580) 3.893 4.696 ( 1.420 0.000 0.164) 1.429 4.738 ( 1.406 0.000 2.342) 2.732 4.872 ( -0.360 0.000 2.241) 2.270 4.878 ( -2.191 0.000 -6.992) 7.328 5.012 ( 2.031 0.000 -1.858) 2.753 5.050 ( 1.367 0.000 -7.216) 7.344 5.136 ( -4.522 0.000 7.357) 8.636 5.252 ( -1.226 0.000 -0.252) 1.252 5.312 ( -5.491 0.000 1.595) 5.718 5.330 ( -2.414 0.000 0.775) 2.536 5.343 ( -3.736 0.000 0.638) 3.790 5.489 ( -3.058 0.000 0.183) 3.063 5.574 ( -3.093 0.000 3.779) 4.883 5.634 ( 0.519 0.000 -7.915) 7.932 5.798 ( 1.311 0.000 -5.914) 6.057 5.840 ( 0.130 0.000 9.409) 9.410 5.872 ( 2.203 0.000 -4.696) 5.187 6.056 ( 2.317 0.000 -2.813) 3.644 6.061 ( 0.073 0.000 6.041) 6.042 6.314 ( 6.252 0.000 7.165) 9.509 6.416 ( 4.348 0.000 -3.694) 5.706 6.473 ( 2.468 0.000 -11.409) 11.673 6.476 ( 6.085 0.000 7.768) 9.868 6.728 ( 2.912 0.000 -1.412) 3.236 6.786 ( -1.206 0.000 -2.366) 2.656 6.867 ( 3.083 0.000 -1.274) 3.336 7.232 ( -3.555 0.000 2.613) 4.412 7.303 ( -3.293 0.000 -3.529) 4.827 7.382 ( 5.135 0.000 2.927) 5.910 7.489 ( 2.368 0.000 -2.027) 3.118 7.583 ( -4.097 0.000 -1.739) 4.451 7.637 ( -0.220 0.000 2.628) 2.637 7.792 ( 2.098 0.000 -3.851) 4.386 7.839 ( 1.696 0.000 -3.989) 4.334 7.885 ( -0.164 0.000 2.553) 2.558 7.885 ( -3.210 0.000 4.849) 5.815 7.983 ( 3.484 0.000 0.121) 3.486 7.987 ( 1.636 0.000 2.549) 3.029 8.091 ( 0.392 0.000 -0.163) 0.425 8.130 ( 2.578 0.000 -0.908) 2.733 8.250 ( -0.269 0.000 2.039) 2.056 8.309 ( -0.890 0.000 -1.855) 2.058 8.411 ( -2.599 0.000 0.698) 2.691 8.444 ( -2.064 0.000 -0.510) 2.126 8.562 ( -0.252 0.000 0.036) 0.255 8.584 ( 1.570 0.000 -0.643) 1.696 8.625 ( 2.925 0.000 1.104) 3.127 8.686 ( 2.523 0.000 -1.203) 2.795 8.691 ( 0.228 0.000 2.191) 2.203 8.719 ( -2.214 0.000 -1.820) 2.866 8.878 ( -2.786 0.000 1.085) 2.990 8.939 ( 1.729 0.000 2.499) 3.039 9.016 ( -4.702 0.000 1.677) 4.992 9.025 ( -5.192 0.000 -0.834) 5.259 9.098 ( 0.394 0.000 -2.642) 2.672 9.122 ( -3.493 0.000 0.497) 3.528 9.143 ( 0.591 0.000 0.660) 0.886 9.199 ( -0.773 0.000 -3.248) 3.339 9.232 ( -0.147 0.000 -0.279) 0.316 9.247 ( 1.576 0.000 1.327) 2.060 9.356 ( 0.643 0.000 1.642) 1.764 9.364 ( 0.877 0.000 0.362) 0.948 9.380 ( 5.025 0.000 -2.722) 5.715 9.407 ( -0.782 0.000 0.958) 1.237 9.450 ( 3.392 0.000 1.221) 3.606 9.503 ( 1.135 0.000 -0.959) 1.486 9.701 ( 4.834 0.000 -1.237) 4.989 9.713 ( 4.337 0.000 1.239) 4.511 9.828 ( 0.283 0.000 1.024) 1.063 9.835 ( 2.210 0.000 3.175) 3.868 9.893 ( 1.647 0.000 1.650) 2.332 10.017 ( 2.149 0.000 0.191) 2.157 10.167 ( 6.085 0.000 -2.292) 6.502 10.220 ( 1.718 0.000 -0.690) 1.852 10.248 ( -2.487 0.000 -0.679) 2.578 10.280 ( 1.313 0.000 3.782) 4.003 10.407 ( 3.449 0.000 1.817) 3.898 10.426 ( 1.518 0.000 -0.565) 1.619 10.469 ( 0.787 0.000 -3.281) 3.374 10.488 ( 0.948 0.000 -2.336) 2.521 10.679 ( -0.052 0.000 -0.501) 0.503 10.745 ( 1.064 0.000 1.068) 1.508 10.761 ( 0.084 0.000 3.075) 3.076 10.881 ( -1.881 0.000 -1.755) 2.573 10.985 ( -2.400 0.000 1.988) 3.117 11.133 ( -2.225 0.000 3.969) 4.550 11.164 ( -2.175 0.000 -2.848) 3.584 11.206 ( -0.136 0.000 -1.120) 1.128 11.218 ( 0.960 0.000 1.127) 1.480 11.330 ( -2.827 0.000 -6.275) 6.883 11.379 ( -4.372 0.000 0.250) 4.379 11.431 ( 3.619 0.000 4.723) 5.950 11.523 ( 1.281 0.000 0.093) 1.285 11.568 ( 2.045 0.000 7.893) 8.154 11.606 ( 0.230 0.000 -0.620) 0.661 11.641 ( -4.145 0.000 -4.976) 6.476 11.645 ( 1.109 0.000 0.079) 1.112 11.751 ( -1.766 0.000 3.638) 4.044 11.763 ( -1.440 0.000 -5.435) 5.622 11.910 ( 0.774 0.000 6.333) 6.380 11.955 ( -0.485 0.000 -1.049) 1.155 12.087 ( 0.965 0.000 0.268) 1.002 12.124 ( 2.593 0.000 -1.441) 2.966 12.138 ( 3.185 0.000 -1.452) 3.500 12.242 ( 1.307 0.000 2.127) 2.497 12.323 ( -2.434 0.000 -6.984) 7.396 12.368 ( 5.014 0.000 1.302) 5.180 12.388 ( 2.988 0.000 0.139) 2.991 12.557 ( -1.517 0.000 4.871) 5.102 12.716 ( 0.311 0.000 -2.472) 2.492 12.738 ( -1.162 0.000 4.449) 4.598 13.045 ( 0.962 0.000 -3.707) 3.830 13.905 ( -3.768 0.000 0.178) 3.772 13.971 ( -0.915 0.000 -1.342) 1.624 15.325 ( -1.826 0.000 -0.059) 1.827 15.343 ( -1.627 0.000 -0.015) 1.627 ======================= Grid point 40 (18/42) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -11.794 0.000 13.487) 17.916 0.590 ( -20.584 0.000 9.693) 22.752 0.894 ( -17.469 0.000 29.420) 34.215 1.122 ( -4.098 0.000 -10.300) 11.085 1.227 ( -1.123 0.000 9.426) 9.493 1.315 ( -6.971 0.000 -15.398) 16.903 1.361 ( -2.268 0.000 -1.856) 2.930 1.574 ( -2.715 0.000 5.415) 6.058 1.610 ( 0.468 0.000 0.257) 0.534 1.679 ( 0.096 0.000 -3.946) 3.947 1.735 ( 2.785 0.000 0.848) 2.911 1.832 ( 1.794 0.000 4.406) 4.757 1.843 ( 0.491 0.000 1.285) 1.375 1.911 ( -4.481 0.000 -2.518) 5.140 1.915 ( 2.468 0.000 0.697) 2.564 1.975 ( 0.799 0.000 -0.488) 0.936 1.980 ( 1.013 0.000 1.852) 2.111 2.078 ( -0.870 0.000 -1.797) 1.996 2.083 ( 0.232 0.000 -2.945) 2.954 2.164 ( -0.810 0.000 -1.719) 1.900 2.260 ( -1.206 0.000 -2.469) 2.748 2.354 ( -10.627 0.000 4.256) 11.447 2.431 ( -0.423 0.000 -6.854) 6.868 2.434 ( 0.600 0.000 -5.444) 5.477 2.508 ( -1.594 0.000 0.624) 1.712 2.524 ( 1.269 0.000 3.120) 3.369 2.639 ( -0.734 0.000 0.775) 1.068 2.823 ( -3.281 0.000 -4.970) 5.955 2.938 ( -3.814 0.000 5.779) 6.925 2.977 ( -2.302 0.000 2.253) 3.221 2.991 ( -0.854 0.000 -1.515) 1.739 3.000 ( 5.126 0.000 -4.744) 6.984 3.244 ( 4.047 0.000 -3.813) 5.560 3.305 ( -5.019 0.000 3.709) 6.240 3.324 ( -3.161 0.000 -1.026) 3.323 3.409 ( 1.531 0.000 6.270) 6.454 3.427 ( 6.589 0.000 -8.286) 10.586 3.497 ( -1.679 0.000 3.371) 3.766 3.702 ( 2.507 0.000 0.419) 2.542 3.802 ( 2.529 0.000 0.350) 2.553 3.831 ( -0.865 0.000 -0.424) 0.963 3.852 ( 3.576 0.000 2.763) 4.519 3.974 ( -9.614 0.000 -1.878) 9.795 4.103 ( -0.570 0.000 1.348) 1.463 4.158 ( -1.416 0.000 4.674) 4.884 4.295 ( 2.620 0.000 -1.404) 2.973 4.336 ( 1.453 0.000 4.970) 5.178 4.391 ( 3.590 0.000 -14.887) 15.314 4.474 ( -6.149 0.000 6.483) 8.935 4.483 ( -3.076 0.000 -2.199) 3.781 4.597 ( -2.809 0.000 -1.930) 3.408 4.657 ( -0.908 0.000 -3.445) 3.563 4.735 ( 2.259 0.000 3.332) 4.026 4.779 ( -3.549 0.000 -10.515) 11.098 4.823 ( -6.468 0.000 1.963) 6.759 4.897 ( 10.537 0.000 2.442) 10.816 5.011 ( -2.754 0.000 -5.221) 5.903 5.028 ( -1.656 0.000 -3.441) 3.819 5.110 ( 0.302 0.000 7.102) 7.108 5.175 ( -0.188 0.000 2.820) 2.826 5.270 ( -3.876 0.000 1.935) 4.333 5.281 ( -3.237 0.000 0.779) 3.329 5.296 ( -0.495 0.000 5.016) 5.040 5.455 ( -0.751 0.000 1.475) 1.655 5.529 ( -2.595 0.000 6.948) 7.417 5.591 ( -2.290 0.000 -7.180) 7.537 5.795 ( -0.184 0.000 1.881) 1.890 5.904 ( 2.784 0.000 -8.453) 8.900 5.940 ( 6.389 0.000 -4.029) 7.554 6.069 ( -1.000 0.000 9.676) 9.728 6.097 ( 2.374 0.000 -3.773) 4.457 6.414 ( 1.211 0.000 6.113) 6.232 6.495 ( 3.704 0.000 -4.583) 5.892 6.525 ( 4.030 0.000 -8.205) 9.141 6.619 ( 5.136 0.000 2.966) 5.931 6.770 ( 0.438 0.000 0.299) 0.530 6.781 ( 2.148 0.000 -1.822) 2.817 6.892 ( -0.299 0.000 -0.782) 0.837 7.170 ( -2.839 0.000 1.782) 3.352 7.243 ( -1.419 0.000 -3.516) 3.791 7.486 ( 1.854 0.000 1.800) 2.584 7.508 ( -0.612 0.000 0.377) 0.718 7.510 ( 0.336 0.000 -1.832) 1.862 7.668 ( 2.167 0.000 1.258) 2.506 7.807 ( -0.673 0.000 0.356) 0.762 7.839 ( -1.437 0.000 0.816) 1.653 7.841 ( 0.515 0.000 -0.286) 0.589 7.927 ( 2.032 0.000 -2.179) 2.980 8.045 ( 3.372 0.000 0.977) 3.510 8.059 ( 2.585 0.000 -0.753) 2.693 8.111 ( 2.117 0.000 1.189) 2.428 8.161 ( 0.438 0.000 -0.078) 0.445 8.239 ( -1.182 0.000 1.724) 2.090 8.282 ( -1.218 0.000 -1.095) 1.638 8.373 ( -1.232 0.000 1.115) 1.661 8.410 ( -1.160 0.000 -0.726) 1.369 8.552 ( -0.379 0.000 0.330) 0.502 8.595 ( 0.110 0.000 -0.186) 0.216 8.675 ( 0.960 0.000 1.326) 1.637 8.676 ( -0.729 0.000 -0.626) 0.961 8.694 ( 0.503 0.000 -1.304) 1.398 8.747 ( 1.619 0.000 0.051) 1.620 8.815 ( -3.299 0.000 2.571) 4.182 8.882 ( -4.799 0.000 2.206) 5.281 8.927 ( -3.893 0.000 -0.259) 3.901 8.987 ( 0.109 0.000 -2.738) 2.740 9.092 ( 0.442 0.000 -2.715) 2.751 9.094 ( -0.168 0.000 0.572) 0.597 9.189 ( 0.098 0.000 -0.066) 0.118 9.217 ( 4.469 0.000 0.806) 4.541 9.240 ( 2.074 0.000 2.292) 3.091 9.261 ( -0.126 0.000 0.244) 0.275 9.317 ( -0.875 0.000 0.902) 1.257 9.402 ( 4.135 0.000 1.402) 4.366 9.442 ( 0.578 0.000 -2.665) 2.727 9.449 ( -0.198 0.000 -0.556) 0.590 9.516 ( 1.929 0.000 -1.796) 2.635 9.550 ( 3.714 0.000 0.057) 3.714 9.758 ( 1.323 0.000 -1.336) 1.880 9.760 ( -1.804 0.000 0.431) 1.855 9.786 ( -4.738 0.000 2.332) 5.281 9.873 ( 2.009 0.000 -1.160) 2.319 10.008 ( 8.633 0.000 7.495) 11.433 10.076 ( 4.558 0.000 1.608) 4.833 10.168 ( -3.567 0.000 -0.166) 3.571 10.270 ( -3.035 0.000 2.206) 3.752 10.275 ( 2.721 0.000 0.941) 2.879 10.309 ( 4.352 0.000 -2.532) 5.035 10.470 ( 0.726 0.000 -2.068) 2.192 10.480 ( 1.093 0.000 -2.982) 3.176 10.529 ( 8.804 0.000 -0.700) 8.832 10.602 ( 10.992 0.000 2.687) 11.315 10.715 ( 4.003 0.000 -2.031) 4.489 10.777 ( 1.398 0.000 1.792) 2.272 10.788 ( 2.021 0.000 1.048) 2.277 10.833 ( -0.579 0.000 -0.780) 0.972 10.927 ( -3.340 0.000 0.681) 3.409 11.051 ( -7.366 0.000 -5.885) 9.428 11.067 ( -3.696 0.000 4.409) 5.753 11.157 ( -4.481 0.000 -5.596) 7.169 11.240 ( -1.780 0.000 1.870) 2.582 11.307 ( -0.652 0.000 -1.553) 1.684 11.307 ( 2.002 0.000 -1.306) 2.390 11.420 ( -8.007 0.000 -6.528) 10.330 11.508 ( -3.241 0.000 0.734) 3.323 11.529 ( -1.313 0.000 -2.377) 2.715 11.607 ( -4.685 0.000 3.911) 6.103 11.656 ( 0.431 0.000 0.014) 0.431 11.657 ( 1.318 0.000 1.130) 1.736 11.721 ( 0.091 0.000 6.313) 6.314 11.745 ( 0.969 0.000 -5.237) 5.326 11.909 ( -0.793 0.000 6.881) 6.927 11.947 ( 0.020 0.000 -0.478) 0.479 12.085 ( -0.924 0.000 -1.714) 1.947 12.183 ( 2.965 0.000 -0.876) 3.091 12.194 ( 2.134 0.000 -0.729) 2.255 12.248 ( -1.555 0.000 -0.299) 1.584 12.281 ( 0.234 0.000 -5.544) 5.549 12.483 ( 5.909 0.000 1.185) 6.026 12.512 ( 6.563 0.000 -1.400) 6.711 12.651 ( 7.516 0.000 10.491) 12.906 12.686 ( -2.810 0.000 -2.155) 3.541 12.764 ( 8.803 0.000 12.588) 15.360 13.068 ( 1.766 0.000 -0.183) 1.776 13.814 ( -4.529 0.000 -0.470) 4.553 13.896 ( -7.536 0.000 -6.116) 9.706 15.288 ( -1.516 0.000 -0.057) 1.517 15.301 ( -2.110 0.000 -0.032) 2.110 ======================= Grid point 41 (19/42) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.480 ( 4.569 11.173 14.370) 18.768 0.611 ( -0.174 13.575 16.805) 21.604 0.950 ( 0.138 12.785 27.150) 30.010 1.109 ( -2.589 -2.028 -5.408) 6.329 1.157 ( 2.225 6.704 -11.092) 13.150 1.234 ( -1.513 3.741 -4.314) 5.907 1.373 ( 2.072 -2.962 4.411) 5.703 1.529 ( 0.024 0.023 -6.295) 6.295 1.626 ( -0.380 -4.347 -3.147) 5.379 1.643 ( -1.952 -7.790 -0.599) 8.053 1.668 ( 0.706 -7.032 -0.960) 7.133 1.721 ( 0.119 -3.082 3.434) 4.616 1.778 ( -2.168 -4.010 -0.008) 4.559 1.841 ( 2.040 -6.308 -0.896) 6.689 1.885 ( 2.659 -2.913 -0.377) 3.962 1.903 ( -2.790 -7.455 -1.292) 8.064 1.937 ( 4.966 -3.828 -0.341) 6.280 1.999 ( -4.266 -1.783 -1.597) 4.892 2.089 ( 0.337 -4.691 3.183) 5.679 2.148 ( -0.112 2.194 -0.682) 2.301 2.186 ( -0.485 -0.208 -2.174) 2.237 2.258 ( -1.603 2.152 4.415) 5.167 2.404 ( 0.834 2.254 -3.646) 4.367 2.511 ( -0.787 2.812 2.585) 3.899 2.539 ( -0.489 5.089 -2.586) 5.729 2.661 ( 0.707 7.271 -0.133) 7.307 2.883 ( 2.319 15.400 -3.664) 15.999 2.889 ( -4.371 8.303 -1.855) 9.565 2.931 ( 2.479 5.060 2.377) 6.115 2.997 ( 1.534 4.212 -1.577) 4.752 3.027 ( 1.343 3.828 -3.711) 5.498 3.107 ( 2.468 4.658 -1.313) 5.433 3.198 ( -1.618 -3.927 3.483) 5.493 3.261 ( -3.250 -1.013 1.571) 3.749 3.278 ( -1.439 0.739 0.654) 1.745 3.381 ( -0.952 -5.515 1.551) 5.807 3.455 ( 2.143 6.134 4.009) 7.635 3.666 ( 0.142 10.314 -5.858) 11.862 3.714 ( -0.374 -2.306 -0.446) 2.378 3.776 ( 0.463 -3.723 -1.360) 3.990 3.829 ( 0.372 -2.795 -3.703) 4.654 3.874 ( 0.641 2.808 0.449) 2.915 4.006 ( 0.385 6.599 5.097) 8.347 4.057 ( 0.692 -0.847 -1.201) 1.624 4.179 ( -2.787 1.697 2.982) 4.421 4.254 ( -3.274 -6.018 4.124) 7.996 4.304 ( -4.719 -3.127 0.580) 5.690 4.311 ( -0.683 -7.118 0.744) 7.189 4.351 ( 2.214 -6.469 -2.413) 7.251 4.475 ( 3.027 -5.490 -3.554) 7.207 4.538 ( 1.338 -7.223 0.840) 7.394 4.557 ( 4.582 2.181 -6.328) 8.111 4.602 ( -0.463 -5.366 -3.500) 6.424 4.660 ( -4.401 0.751 -4.613) 6.420 4.790 ( -0.416 -11.290 1.491) 11.396 4.823 ( -4.107 -8.782 -0.253) 9.698 4.924 ( 0.420 -3.862 -0.660) 3.940 5.016 ( 2.572 -1.278 2.941) 4.111 5.091 ( 1.109 -2.226 0.842) 2.625 5.122 ( 0.359 -4.040 3.051) 5.075 5.174 ( 1.269 -2.818 3.495) 4.666 5.263 ( 3.532 -1.152 -1.780) 4.119 5.359 ( -1.287 1.906 -1.428) 2.707 5.528 ( -3.617 -1.258 -5.184) 6.445 5.558 ( 2.280 9.837 4.674) 11.128 5.618 ( -1.527 7.832 6.118) 10.055 5.809 ( 1.931 0.983 -4.932) 5.387 5.933 ( 2.250 -1.107 -1.976) 3.192 5.989 ( -1.697 2.409 3.335) 4.450 6.124 ( 0.233 2.573 8.143) 8.543 6.128 ( -0.637 0.993 -1.561) 1.956 6.452 ( -0.778 -7.268 -0.180) 7.312 6.459 ( -1.910 4.151 -0.111) 4.571 6.533 ( 0.490 0.780 -2.882) 3.025 6.685 ( 1.229 1.338 -2.808) 3.345 6.769 ( -0.259 -1.157 -3.339) 3.543 6.844 ( 0.340 2.187 2.511) 3.347 6.903 ( -0.273 1.927 0.507) 2.011 7.165 ( -0.619 2.231 0.683) 2.413 7.229 ( 0.547 0.227 -2.599) 2.665 7.454 ( -0.377 -0.584 -0.999) 1.217 7.486 ( -0.464 -1.356 -1.645) 2.182 7.602 ( 1.560 2.339 1.911) 3.399 7.669 ( -2.542 -0.553 1.986) 3.273 7.757 ( -1.295 1.246 1.301) 2.218 7.852 ( 1.247 0.038 -0.390) 1.307 7.858 ( -0.359 0.160 0.394) 0.556 7.922 ( 0.307 -1.908 -2.348) 3.041 8.057 ( -0.483 -2.116 -0.091) 2.173 8.068 ( 1.412 -2.537 -0.617) 2.968 8.132 ( -0.175 -1.218 0.648) 1.391 8.160 ( 0.909 -0.614 -1.742) 2.059 8.227 ( -0.087 0.540 0.130) 0.562 8.265 ( -0.701 -0.498 -1.726) 1.929 8.463 ( 0.353 6.049 1.618) 6.271 8.516 ( -0.358 4.468 0.658) 4.530 8.542 ( 1.342 -1.021 -0.018) 1.686 8.599 ( 0.711 2.022 -2.700) 3.448 8.654 ( -0.686 1.448 2.763) 3.194 8.735 ( -1.639 2.786 0.278) 3.244 8.774 ( 1.412 2.733 -0.182) 3.081 8.778 ( -0.345 4.402 -0.476) 4.441 8.810 ( -0.584 2.151 3.471) 4.125 8.850 ( -0.482 3.025 1.261) 3.312 8.925 ( 1.352 0.400 -2.119) 2.545 8.974 ( -0.418 0.218 -2.930) 2.967 9.064 ( -1.705 0.331 -1.669) 2.409 9.085 ( 1.464 0.315 -3.094) 3.437 9.195 ( -1.014 -3.076 0.108) 3.240 9.226 ( -0.916 -4.805 -0.714) 4.944 9.262 ( -0.011 3.625 0.729) 3.697 9.319 ( 0.252 2.187 -0.589) 2.279 9.325 ( 2.480 -0.188 1.444) 2.876 9.379 ( -1.958 -1.754 -0.233) 2.639 9.449 ( -4.275 1.639 -0.088) 4.579 9.510 ( 0.349 2.408 -3.541) 4.296 9.574 ( 4.762 4.308 1.372) 6.567 9.632 ( -3.961 2.296 -1.108) 4.710 9.691 ( -0.182 -1.887 0.719) 2.028 9.702 ( 2.024 0.616 -0.121) 2.119 9.823 ( 1.679 1.487 1.166) 2.528 9.870 ( -1.675 0.942 -0.993) 2.163 10.013 ( 1.490 -7.548 3.040) 8.272 10.070 ( 0.231 -4.511 -0.555) 4.551 10.153 ( 1.365 -1.349 3.144) 3.683 10.264 ( -0.539 -2.023 -0.990) 2.315 10.345 ( -1.193 3.186 0.642) 3.462 10.411 ( 0.350 4.014 -1.767) 4.399 10.453 ( -6.710 -0.585 1.077) 6.821 10.487 ( -1.498 -1.157 -1.167) 2.224 10.523 ( -0.654 -2.478 2.984) 3.933 10.597 ( -0.816 -5.688 -0.005) 5.746 10.705 ( -4.930 1.649 0.302) 5.207 10.776 ( 5.095 1.929 -1.015) 5.542 10.832 ( 1.447 -0.142 2.115) 2.567 10.882 ( -1.048 -1.066 2.375) 2.806 10.909 ( -0.609 2.331 0.655) 2.497 10.956 ( 1.504 0.939 -1.583) 2.377 11.012 ( 6.817 -1.784 0.804) 7.092 11.107 ( 0.986 -4.447 -1.729) 4.872 11.138 ( -1.737 4.237 1.358) 4.776 11.239 ( -4.060 1.969 -4.008) 6.035 11.385 ( 1.853 1.635 0.902) 2.631 11.408 ( 0.114 1.082 2.817) 3.020 11.452 ( -4.107 2.788 3.546) 6.100 11.533 ( -0.702 0.357 -0.542) 0.956 11.574 ( -0.332 0.283 -1.356) 1.425 11.635 ( -1.571 -2.153 -0.634) 2.740 11.701 ( -1.491 5.468 -5.272) 7.740 11.788 ( -0.792 3.024 4.433) 5.424 11.794 ( 2.486 2.833 -5.678) 6.815 11.918 ( 1.251 -1.828 1.447) 2.646 12.019 ( 0.495 3.168 0.268) 3.217 12.076 ( 0.250 2.154 -2.581) 3.371 12.176 ( -1.653 -1.217 -0.068) 2.054 12.205 ( -0.787 0.224 0.481) 0.949 12.273 ( 0.583 3.087 -3.910) 5.016 12.288 ( 1.466 -0.373 -3.330) 3.657 12.546 ( -3.541 -2.420 1.787) 4.646 12.583 ( 1.860 -0.051 1.421) 2.342 12.651 ( 3.747 2.408 -2.372) 5.046 12.674 ( -0.695 -1.728 -1.848) 2.624 12.943 ( -2.563 -14.808 9.029) 17.532 13.020 ( 0.526 -6.878 0.985) 6.968 13.686 ( 1.831 0.621 1.692) 2.570 13.763 ( 1.004 -0.779 -1.922) 2.304 15.273 ( 0.134 -0.036 0.063) 0.152 15.275 ( -0.189 -0.085 -0.027) 0.209 ======================= Grid point 42 (20/42) ======================= q-point: ( 0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.608 ( 6.347 6.055 14.520) 16.964 0.795 ( 8.832 7.467 17.449) 20.934 1.051 ( 3.952 1.663 -2.261) 4.847 1.160 ( 5.749 4.714 2.709) 7.913 1.248 ( 7.401 10.033 -8.505) 15.092 1.279 ( 7.255 -3.429 7.416) 10.927 1.479 ( 5.889 -4.267 6.294) 9.618 1.520 ( 0.939 -1.186 -6.244) 6.424 1.551 ( -3.364 -8.802 0.358) 9.430 1.600 ( -2.048 -3.612 -2.045) 4.628 1.682 ( 0.158 -4.342 -4.369) 6.161 1.747 ( -0.173 -1.638 2.057) 2.636 1.759 ( 2.524 -2.677 2.879) 4.672 1.844 ( -2.557 0.032 -0.730) 2.659 1.865 ( -1.265 -9.795 -0.865) 9.914 1.918 ( 0.639 -2.517 -4.645) 5.322 1.962 ( 2.190 -6.665 1.298) 7.135 2.002 ( -0.119 -0.725 0.496) 0.887 2.115 ( 4.201 -3.631 -3.393) 6.508 2.191 ( 1.622 3.569 3.306) 5.128 2.201 ( 3.852 -2.094 -1.006) 4.498 2.309 ( 5.362 3.363 4.231) 7.613 2.390 ( -1.554 3.160 -5.301) 6.364 2.497 ( 0.160 2.724 -3.599) 4.517 2.536 ( 0.181 4.509 4.139) 6.124 2.695 ( 2.047 5.269 0.945) 5.732 2.796 ( -3.859 3.567 -0.927) 5.336 2.912 ( 1.289 16.920 -3.226) 17.273 3.028 ( 5.966 8.320 -2.596) 10.562 3.048 ( 1.316 1.207 -4.973) 5.284 3.060 ( 3.355 8.090 -0.693) 8.785 3.136 ( 1.172 5.734 3.421) 6.779 3.157 ( -3.652 0.288 0.183) 3.668 3.220 ( 0.176 -5.902 5.550) 8.104 3.263 ( -0.540 -1.789 -0.638) 1.974 3.372 ( 0.700 -3.148 0.334) 3.242 3.494 ( 1.007 5.655 1.927) 6.059 3.618 ( -3.076 8.373 -2.835) 9.360 3.694 ( -1.511 -1.862 1.210) 2.686 3.782 ( 1.590 -4.867 -3.696) 6.315 3.842 ( 0.813 -0.077 -1.879) 2.048 3.867 ( -3.523 3.272 2.688) 5.508 3.985 ( -2.478 1.463 -0.405) 2.906 4.075 ( 0.020 -0.783 2.722) 2.833 4.120 ( -2.261 3.570 2.814) 5.077 4.185 ( 0.685 -0.241 4.345) 4.405 4.275 ( 0.049 -7.333 -3.113) 7.966 4.350 ( 2.651 -6.959 1.559) 7.609 4.362 ( 0.742 -4.614 -3.348) 5.748 4.517 ( 1.436 -2.349 -5.276) 5.951 4.532 ( -2.247 -8.391 -1.120) 8.759 4.587 ( -0.755 -7.473 -1.511) 7.662 4.614 ( 0.913 0.498 -3.162) 3.328 4.676 ( 5.458 -0.743 -0.483) 5.530 4.776 ( 0.011 -11.230 0.870) 11.264 4.826 ( 1.882 -8.408 2.663) 9.018 4.924 ( 0.210 -5.168 0.244) 5.178 5.040 ( -0.234 -0.830 -0.471) 0.982 5.095 ( 1.228 -7.674 3.029) 8.341 5.159 ( 0.724 0.983 -1.413) 1.868 5.201 ( 2.918 -7.639 1.484) 8.311 5.333 ( -0.212 -4.566 -5.119) 6.863 5.399 ( 4.670 6.629 1.892) 8.326 5.476 ( 1.655 0.321 -0.934) 1.927 5.613 ( -0.038 7.239 4.854) 8.716 5.635 ( 4.691 10.441 0.793) 11.474 5.828 ( 0.925 2.234 -7.126) 7.525 5.954 ( -1.146 -0.644 1.114) 1.723 5.956 ( -1.080 4.376 0.724) 4.565 6.070 ( -4.372 0.617 1.354) 4.618 6.131 ( -2.059 2.229 7.900) 8.463 6.380 ( -5.259 5.213 -0.027) 7.405 6.427 ( -1.672 -7.408 1.174) 7.685 6.523 ( -1.171 1.065 -1.925) 2.492 6.666 ( -2.177 2.614 -4.626) 5.742 6.742 ( -1.478 0.071 -3.247) 3.568 6.826 ( -1.880 -0.101 0.290) 1.905 6.893 ( -1.229 0.948 0.998) 1.845 7.171 ( 1.095 2.321 0.306) 2.584 7.268 ( 3.670 0.039 -2.105) 4.231 7.423 ( -2.445 -0.087 -0.173) 2.453 7.491 ( 1.200 -1.713 -1.533) 2.593 7.584 ( -4.623 0.812 1.487) 4.924 7.626 ( 0.388 1.001 1.566) 1.899 7.731 ( -1.448 1.739 1.362) 2.641 7.817 ( -2.613 0.215 -0.437) 2.658 7.889 ( 1.749 -1.078 0.089) 2.056 7.927 ( 0.351 -1.391 -1.105) 1.811 8.028 ( -1.163 -2.770 -0.460) 3.039 8.075 ( -1.789 -1.810 0.422) 2.580 8.119 ( -1.381 -0.322 0.468) 1.493 8.148 ( -1.145 1.040 -1.144) 1.924 8.242 ( 1.405 0.826 0.802) 1.816 8.266 ( 1.732 -2.307 -1.662) 3.329 8.475 ( 0.151 5.207 1.663) 5.468 8.500 ( -0.656 3.134 1.081) 3.379 8.580 ( 0.563 3.138 -2.277) 3.918 8.602 ( 0.128 0.868 -0.361) 0.949 8.637 ( -0.672 0.143 1.294) 1.465 8.708 ( -1.724 3.592 0.604) 4.029 8.759 ( -1.486 2.286 -0.855) 2.857 8.803 ( 0.365 6.067 0.370) 6.089 8.847 ( 3.498 0.768 2.722) 4.499 8.864 ( 1.353 1.800 2.229) 3.168 8.957 ( 2.313 -0.087 -0.881) 2.477 8.977 ( 1.647 0.605 -1.599) 2.374 9.031 ( -0.412 5.376 -4.036) 6.735 9.085 ( 0.072 -2.237 -1.042) 2.469 9.154 ( -2.285 -1.132 0.373) 2.577 9.203 ( 0.013 -0.428 0.990) 1.079 9.265 ( 0.037 -2.176 0.557) 2.247 9.290 ( -0.881 0.004 -0.648) 1.094 9.329 ( -3.067 1.952 0.277) 3.647 9.338 ( -1.096 -0.996 1.643) 2.212 9.408 ( 0.319 0.530 0.513) 0.804 9.483 ( -3.840 2.275 -1.126) 4.603 9.541 ( -2.132 -0.090 -1.261) 2.478 9.579 ( -5.146 0.990 0.070) 5.241 9.712 ( 2.773 -0.351 -0.214) 2.803 9.794 ( 2.582 2.698 0.275) 3.744 9.830 ( -0.074 -0.217 0.938) 0.965 9.889 ( 0.031 3.073 0.205) 3.080 9.999 ( -4.251 -3.962 4.538) 7.373 10.039 ( -2.290 -6.884 0.589) 7.279 10.066 ( -4.850 -1.058 2.973) 5.786 10.199 ( -4.372 -3.923 -3.944) 7.075 10.325 ( -1.805 1.916 1.110) 2.857 10.346 ( -3.293 0.555 0.088) 3.340 10.401 ( 0.927 4.580 0.023) 4.673 10.488 ( -2.243 -1.077 -1.077) 2.711 10.511 ( 0.624 2.417 -1.472) 2.898 10.550 ( -1.462 0.423 1.577) 2.192 10.666 ( -0.986 -0.861 -0.424) 1.376 10.792 ( -3.297 -0.887 0.622) 3.470 10.808 ( -2.428 -1.155 -0.129) 2.692 10.880 ( -0.828 0.918 0.266) 1.265 10.959 ( 5.400 3.831 -1.663) 6.826 11.008 ( 4.664 2.150 -1.094) 5.251 11.059 ( 1.991 4.377 1.932) 5.183 11.193 ( 2.363 -0.317 -0.451) 2.426 11.196 ( 6.238 -2.108 3.388) 7.405 11.281 ( 5.002 -1.507 -5.145) 7.332 11.329 ( -2.916 1.595 0.271) 3.335 11.408 ( 0.412 1.513 2.339) 2.816 11.478 ( -0.483 0.412 2.933) 3.001 11.535 ( 2.555 1.197 0.267) 2.834 11.567 ( -2.460 -1.126 3.339) 4.298 11.612 ( 1.763 2.801 -4.299) 5.425 11.672 ( -0.427 1.837 -0.160) 1.893 11.764 ( -1.889 2.485 3.767) 4.892 11.840 ( 2.840 1.074 -3.118) 4.352 11.943 ( 0.438 -2.468 -1.550) 2.947 12.028 ( 0.742 1.281 0.742) 1.655 12.067 ( -1.229 1.480 -2.286) 2.988 12.134 ( -1.796 -0.201 0.681) 1.932 12.177 ( -2.483 1.257 0.902) 2.925 12.237 ( -2.872 0.638 -2.075) 3.600 12.319 ( 2.107 -1.917 -3.052) 4.175 12.440 ( -5.383 -0.952 0.567) 5.496 12.528 ( -7.065 1.022 -1.071) 7.219 12.641 ( -0.776 -2.453 0.908) 2.728 12.744 ( 3.240 1.178 -1.955) 3.964 12.793 ( -7.053 -6.866 10.955) 14.727 12.996 ( -2.372 -4.822 -1.522) 5.586 13.795 ( 5.756 -3.003 -0.657) 6.525 13.860 ( 5.738 -3.429 -1.914) 6.953 15.290 ( 1.619 -0.080 -0.185) 1.631 15.293 ( 1.689 -0.142 0.203) 1.707 ======================= Grid point 43 (21/42) ======================= q-point: ( 0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.811 ( 9.466 0.673 9.097) 13.146 0.996 ( 6.472 3.152 14.000) 15.742 1.133 ( 2.160 -1.682 1.207) 2.992 1.216 ( -0.742 -0.128 1.681) 1.842 1.325 ( 2.990 -0.218 -7.592) 8.162 1.374 ( -0.577 -6.650 0.147) 6.677 1.505 ( 0.416 -1.731 -1.440) 2.290 1.547 ( -0.450 -2.020 -5.413) 5.795 1.623 ( 4.148 -8.868 3.381) 10.358 1.634 ( 6.014 -4.550 3.293) 8.228 1.704 ( 1.323 3.639 0.143) 3.875 1.745 ( 1.305 -1.589 -1.109) 2.336 1.766 ( -1.949 -2.058 -1.122) 3.048 1.839 ( 4.107 0.280 1.080) 4.256 1.865 ( -0.220 -1.838 2.387) 3.021 1.938 ( 3.027 -3.896 -1.507) 5.159 1.993 ( 0.323 -0.731 0.313) 0.858 2.012 ( 1.621 -6.055 0.321) 6.276 2.170 ( 1.152 1.989 -2.356) 3.291 2.238 ( -0.410 2.319 2.873) 3.715 2.271 ( 2.012 -2.019 -0.545) 2.902 2.333 ( 0.212 4.173 -3.669) 5.560 2.462 ( 4.771 -0.426 -0.637) 4.832 2.493 ( 0.462 2.796 -1.243) 3.095 2.562 ( 2.809 7.098 2.159) 7.933 2.738 ( -0.854 -1.820 -2.305) 3.058 2.742 ( 2.197 7.776 0.640) 8.105 2.904 ( -1.773 16.609 -4.120) 17.204 2.973 ( -4.175 1.919 -4.346) 6.324 3.062 ( -1.304 7.362 5.039) 9.016 3.127 ( -0.638 3.511 0.146) 3.572 3.178 ( 4.757 5.909 -6.173) 9.780 3.200 ( 2.264 -2.864 2.665) 4.520 3.231 ( 2.862 -0.369 0.651) 2.959 3.310 ( 4.067 0.770 3.333) 5.315 3.429 ( 4.491 -2.374 2.233) 5.549 3.507 ( -0.199 3.265 -1.583) 3.634 3.548 ( -1.777 7.929 -0.412) 8.136 3.653 ( -3.586 1.037 1.481) 4.016 3.734 ( -8.328 4.003 8.035) 12.245 3.813 ( -1.639 5.534 -4.171) 7.121 3.875 ( 6.885 -4.492 -2.728) 8.662 3.965 ( 0.677 -2.692 -2.286) 3.596 4.042 ( -2.351 3.887 4.326) 6.273 4.154 ( 3.143 -5.375 0.752) 6.272 4.234 ( -2.059 -9.269 3.033) 9.968 4.287 ( 4.602 -3.228 -2.720) 6.244 4.377 ( 3.239 -1.727 -3.833) 5.307 4.411 ( -4.348 -13.074 0.246) 13.780 4.448 ( 0.682 -3.431 2.420) 4.254 4.515 ( -1.224 -3.609 -2.978) 4.837 4.559 ( -0.420 -9.459 1.419) 9.574 4.646 ( 2.034 -2.176 -3.728) 4.771 4.739 ( -0.598 -2.441 3.841) 4.589 4.795 ( 1.201 -8.452 -0.717) 8.567 4.855 ( 2.278 -1.866 -1.234) 3.193 4.943 ( 0.434 -9.616 3.259) 10.162 5.023 ( -1.448 -5.562 -1.089) 5.849 5.090 ( -6.011 -0.241 -5.203) 7.954 5.170 ( 4.329 -8.438 2.968) 9.937 5.300 ( 4.543 -3.337 0.689) 5.679 5.344 ( 5.637 -1.056 -4.740) 7.440 5.504 ( 3.862 7.569 0.798) 8.535 5.537 ( 3.123 4.067 -1.513) 5.346 5.630 ( -0.098 3.996 1.502) 4.270 5.734 ( 3.960 6.221 -4.779) 8.787 5.825 ( 2.429 3.491 -4.200) 5.977 5.916 ( -2.844 5.199 2.960) 6.624 5.924 ( -2.188 3.020 -1.303) 3.950 5.994 ( -3.254 2.039 5.887) 7.029 6.081 ( -4.038 2.882 5.434) 7.358 6.279 ( -4.270 4.223 2.977) 6.703 6.376 ( -4.150 -6.286 4.313) 8.680 6.470 ( -3.097 0.327 -2.068) 3.739 6.596 ( -2.152 2.153 -6.677) 7.338 6.708 ( -1.714 -0.948 -3.247) 3.792 6.766 ( -2.656 0.743 -0.865) 2.891 6.872 ( -0.783 0.798 -0.437) 1.200 7.210 ( 2.540 1.461 0.698) 3.012 7.345 ( 3.562 -1.135 -2.148) 4.312 7.370 ( -2.593 0.668 1.659) 3.150 7.489 ( -2.689 0.280 -0.859) 2.837 7.539 ( 2.181 -0.793 -0.310) 2.341 7.644 ( 0.615 -0.898 0.494) 1.196 7.718 ( 0.076 1.446 0.772) 1.640 7.778 ( -0.438 0.264 -1.663) 1.740 7.922 ( 1.470 -0.960 1.063) 2.052 7.925 ( -0.330 -0.546 0.458) 0.786 8.001 ( -2.544 -0.516 0.332) 2.617 8.029 ( -0.813 -1.700 0.332) 1.913 8.077 ( -3.098 0.464 1.206) 3.357 8.118 ( -2.096 -0.230 -0.432) 2.152 8.268 ( 1.586 1.696 -0.129) 2.326 8.337 ( 4.808 -2.951 -0.244) 5.646 8.442 ( -3.425 4.790 1.025) 5.977 8.496 ( -1.045 1.338 0.863) 1.904 8.567 ( -1.290 1.137 1.070) 2.026 8.588 ( -1.313 1.122 0.156) 1.734 8.640 ( -0.274 2.944 -0.433) 2.988 8.655 ( -1.177 2.564 -1.038) 3.006 8.735 ( -0.228 3.948 -0.304) 3.967 8.806 ( 0.162 5.148 -0.040) 5.151 8.898 ( 1.500 1.723 0.577) 2.356 8.917 ( 1.102 1.333 2.066) 2.695 8.987 ( 2.386 1.880 -1.952) 3.611 9.061 ( 4.816 -1.080 -1.460) 5.147 9.074 ( 4.707 -0.336 0.301) 4.728 9.102 ( 1.499 -0.311 0.314) 1.563 9.131 ( 1.253 -0.970 -1.054) 1.903 9.209 ( -0.375 1.343 -0.930) 1.675 9.249 ( -4.081 1.126 0.355) 4.248 9.285 ( 0.733 -1.869 0.294) 2.029 9.310 ( 2.589 -2.063 -0.268) 3.321 9.343 ( 1.045 -1.966 2.139) 3.088 9.367 ( -3.559 -0.061 -0.137) 3.562 9.395 ( -5.123 -0.946 0.441) 5.229 9.463 ( -2.179 0.015 0.098) 2.181 9.506 ( -3.427 1.296 -0.589) 3.710 9.673 ( -5.862 -1.654 -0.119) 6.092 9.761 ( -9.507 -0.660 0.229) 9.533 9.822 ( 0.370 1.252 2.342) 2.682 9.839 ( 1.319 2.621 0.837) 3.051 9.927 ( -3.197 0.352 2.049) 3.813 10.023 ( -1.958 -3.735 -3.565) 5.522 10.073 ( 2.332 -2.473 2.946) 4.498 10.129 ( -0.292 -3.670 -3.061) 4.788 10.240 ( -3.289 1.222 -0.637) 3.566 10.300 ( -2.375 0.808 1.589) 2.969 10.426 ( 0.623 3.185 1.228) 3.470 10.452 ( 0.576 1.544 -1.039) 1.948 10.515 ( -0.100 2.796 -1.025) 2.979 10.557 ( 0.714 6.369 -1.256) 6.531 10.674 ( 1.417 -1.390 0.230) 1.998 10.741 ( -1.964 -0.902 -0.155) 2.167 10.757 ( -0.971 -1.781 0.754) 2.164 10.868 ( -0.752 -1.255 -0.737) 1.639 11.027 ( 0.889 5.208 2.587) 5.883 11.119 ( 4.755 1.898 1.222) 5.263 11.136 ( 3.306 2.986 1.909) 4.847 11.219 ( 0.193 1.220 -1.241) 1.751 11.237 ( 1.215 2.051 -0.493) 2.435 11.320 ( 0.735 4.812 -2.326) 5.395 11.368 ( 3.519 -2.063 0.930) 4.184 11.432 ( 1.662 -3.480 0.667) 3.914 11.484 ( 1.004 1.608 2.562) 3.187 11.509 ( -2.397 -3.498 1.889) 4.642 11.570 ( -1.355 2.249 0.418) 2.659 11.618 ( -0.155 4.011 -1.268) 4.209 11.705 ( 2.970 0.151 0.884) 3.102 11.754 ( 0.154 0.092 3.174) 3.179 11.898 ( 1.643 -0.972 0.346) 1.940 11.914 ( -1.400 -3.641 -3.161) 5.021 12.000 ( -4.153 0.475 -0.715) 4.241 12.041 ( -0.972 1.687 -1.359) 2.374 12.102 ( -2.488 -1.384 0.216) 2.855 12.120 ( -0.977 1.434 -0.345) 1.769 12.191 ( -0.584 0.926 -0.447) 1.182 12.343 ( -0.402 -3.652 -1.691) 4.045 12.357 ( -2.343 -2.146 -1.272) 3.422 12.390 ( -4.148 -1.067 -0.404) 4.302 12.620 ( -1.432 -1.212 2.297) 2.966 12.732 ( -2.836 -3.239 8.218) 9.277 12.762 ( -0.400 1.984 -2.299) 3.063 12.976 ( 1.604 -3.277 -5.377) 6.498 13.892 ( 3.455 -3.112 0.038) 4.650 13.929 ( 1.779 -3.058 -0.796) 3.627 15.329 ( 1.893 -0.232 -0.275) 1.927 15.330 ( 1.570 -0.275 0.249) 1.614 ======================= Grid point 44 (22/42) ======================= q-point: (-0.50 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.931 ( -4.831 3.168 5.838) 8.213 1.081 ( -2.638 -3.446 9.887) 10.797 1.120 ( -3.057 -4.985 10.154) 11.718 1.187 ( 3.800 -4.781 -2.375) 6.552 1.370 ( -0.138 -1.534 -1.801) 2.370 1.385 ( 3.661 -1.894 -3.433) 5.364 1.499 ( -0.635 -5.231 -1.850) 5.585 1.541 ( 0.047 -1.551 -5.768) 5.973 1.612 ( -1.407 0.986 1.212) 2.103 1.708 ( -0.574 -6.445 0.429) 6.485 1.728 ( -0.268 -0.592 -0.892) 1.104 1.744 ( -0.386 -1.787 0.877) 2.028 1.780 ( 0.089 -2.950 0.059) 2.952 1.859 ( -0.228 -3.006 1.664) 3.443 1.915 ( 3.195 2.710 -0.605) 4.233 1.994 ( -1.019 0.036 0.297) 1.062 2.011 ( 1.632 -6.416 -0.192) 6.623 2.051 ( 1.343 -0.393 -2.408) 2.785 2.129 ( -5.100 3.614 2.674) 6.799 2.180 ( -0.848 2.712 0.785) 2.948 2.304 ( 0.416 0.291 0.921) 1.052 2.368 ( 1.999 3.205 -0.890) 3.881 2.439 ( -1.583 -0.053 1.040) 1.895 2.498 ( -0.977 -3.129 -2.179) 3.936 2.663 ( 1.978 7.996 -1.120) 8.313 2.761 ( 3.368 3.238 -2.280) 5.199 2.790 ( 2.476 9.940 -2.733) 10.602 2.854 ( -0.246 10.953 -2.123) 11.160 2.911 ( -0.538 3.653 -3.871) 5.349 3.033 ( -5.521 -3.470 3.434) 7.369 3.095 ( 0.814 6.189 3.635) 7.224 3.178 ( -1.814 6.794 -6.066) 9.287 3.261 ( 2.227 0.142 -0.520) 2.291 3.307 ( 3.085 4.210 0.080) 5.220 3.386 ( 1.593 -1.661 4.186) 4.777 3.443 ( -5.034 2.538 2.417) 6.134 3.514 ( -0.921 0.489 3.238) 3.402 3.551 ( -0.047 3.976 1.281) 4.178 3.601 ( -0.395 2.585 0.261) 2.627 3.650 ( 0.181 4.011 3.794) 5.524 3.767 ( 0.924 7.408 -3.625) 8.299 3.955 ( -1.056 6.747 5.395) 8.703 4.045 ( 8.986 -1.178 -7.128) 11.531 4.063 ( 2.585 -5.952 -3.700) 7.470 4.142 ( -4.783 -12.550 1.455) 13.509 4.216 ( -7.990 -11.799 1.615) 14.342 4.245 ( 3.161 -6.526 1.912) 7.499 4.383 ( 3.814 -8.729 -2.111) 9.757 4.440 ( -4.747 -7.622 0.555) 8.996 4.468 ( -0.044 -5.919 0.168) 5.921 4.502 ( 4.137 -4.266 4.503) 7.456 4.608 ( 3.960 -4.003 0.483) 5.651 4.667 ( -0.062 2.040 -2.843) 3.500 4.719 ( 0.898 -5.567 3.792) 6.795 4.781 ( -2.651 -4.160 -2.376) 5.476 4.893 ( -6.151 -7.397 -6.135) 11.410 4.925 ( -1.631 -3.339 0.896) 3.822 4.950 ( 4.432 -4.046 -2.365) 6.450 5.064 ( 1.637 -8.207 4.806) 9.650 5.236 ( 1.442 -7.208 -1.156) 7.441 5.346 ( -1.411 8.147 1.460) 8.396 5.435 ( 0.532 -1.931 -4.410) 4.844 5.512 ( -2.785 2.381 -6.861) 7.778 5.556 ( 2.098 8.573 -1.658) 8.980 5.619 ( -1.288 2.852 -0.330) 3.146 5.780 ( 1.395 2.265 -2.626) 3.737 5.824 ( -2.813 6.815 0.828) 7.419 5.851 ( -3.550 2.181 1.335) 4.375 5.959 ( 0.287 1.283 2.290) 2.641 5.983 ( 4.798 3.651 5.333) 8.050 6.032 ( -0.981 0.622 2.833) 3.062 6.250 ( 1.331 4.931 2.615) 5.738 6.306 ( -2.895 -4.381 5.591) 7.671 6.425 ( 0.104 1.089 -1.769) 2.080 6.562 ( 0.669 3.277 -7.525) 8.235 6.663 ( -0.163 -2.880 -1.929) 3.470 6.770 ( 2.218 0.238 0.731) 2.347 6.855 ( -0.417 1.657 -2.905) 3.370 7.263 ( 1.157 -0.004 1.711) 2.066 7.330 ( -0.174 1.393 0.748) 1.590 7.375 ( -0.899 -0.748 -0.989) 1.531 7.458 ( 0.427 2.153 -1.736) 2.799 7.592 ( 1.533 -3.205 0.993) 3.689 7.634 ( -1.501 -1.822 -1.273) 2.682 7.744 ( 2.639 1.000 -1.664) 3.276 7.796 ( 2.596 0.216 -3.029) 3.995 7.918 ( -1.138 -0.091 2.490) 2.739 7.946 ( -2.559 -0.248 4.378) 5.077 7.953 ( -0.686 0.330 0.376) 0.849 7.993 ( -1.689 1.682 1.697) 2.926 8.059 ( 0.191 -1.558 0.034) 1.570 8.065 ( -0.632 -2.199 -0.761) 2.411 8.315 ( 1.905 4.598 0.628) 5.016 8.362 ( -2.398 3.123 -1.200) 4.116 8.436 ( 0.180 -2.135 0.887) 2.319 8.442 ( -0.635 -1.998 0.765) 2.232 8.553 ( -0.081 1.595 0.689) 1.739 8.576 ( 0.713 0.744 1.440) 1.771 8.627 ( -0.277 4.398 -1.694) 4.721 8.669 ( 1.644 1.919 -1.325) 2.853 8.746 ( 0.894 4.895 1.341) 5.154 8.810 ( -0.023 3.691 -0.997) 3.823 8.908 ( -1.284 1.327 0.144) 1.852 8.923 ( 1.197 1.375 -0.600) 1.919 9.056 ( 2.401 0.111 1.170) 2.673 9.081 ( 0.095 -1.317 -0.392) 1.377 9.122 ( -3.402 -0.836 -1.128) 3.681 9.140 ( 0.062 -1.617 -2.040) 2.603 9.176 ( 3.307 0.970 0.073) 3.447 9.210 ( -2.140 0.303 1.023) 2.392 9.219 ( -0.418 -0.209 -0.380) 0.602 9.253 ( 0.965 0.445 -0.566) 1.204 9.274 ( -1.171 0.719 -0.053) 1.376 9.322 ( 1.247 0.421 -0.075) 1.318 9.360 ( -0.117 -1.442 1.070) 1.799 9.410 ( -4.486 -0.907 1.296) 4.757 9.422 ( 1.745 -0.152 2.180) 2.796 9.528 ( 8.409 -2.089 -1.328) 8.766 9.562 ( -8.488 -3.012 0.651) 9.030 9.607 ( 1.402 -3.215 -0.834) 3.605 9.840 ( 0.169 2.778 1.705) 3.264 9.865 ( 0.014 3.566 0.438) 3.593 9.873 ( -0.863 0.325 0.439) 1.021 9.977 ( -0.153 0.048 -3.393) 3.396 10.100 ( -0.067 -2.766 1.658) 3.225 10.144 ( 0.909 -4.435 -1.192) 4.681 10.233 ( 1.841 0.736 0.857) 2.160 10.263 ( -1.081 0.285 0.427) 1.197 10.432 ( -0.127 2.735 1.040) 2.929 10.475 ( 0.850 3.286 -0.267) 3.405 10.504 ( -0.734 3.389 -1.231) 3.680 10.558 ( 0.083 6.850 -2.254) 7.212 10.693 ( 0.401 -0.415 0.114) 0.588 10.720 ( 0.419 0.040 -0.623) 0.752 10.773 ( 1.048 -0.623 1.957) 2.306 10.852 ( -0.343 -3.608 -1.393) 3.882 11.009 ( -2.956 1.735 4.212) 5.430 11.146 ( -0.972 0.908 4.800) 4.981 11.196 ( 0.050 1.981 1.590) 2.541 11.211 ( 1.025 1.480 -1.807) 2.551 11.297 ( 1.253 6.470 -1.097) 6.681 11.357 ( 5.647 3.978 -3.655) 7.815 11.407 ( -2.573 -2.297 2.941) 4.533 11.449 ( 1.605 -1.216 0.927) 2.217 11.484 ( -3.210 0.660 -0.342) 3.295 11.509 ( 1.653 -3.465 1.004) 3.968 11.543 ( 1.876 2.019 1.831) 3.309 11.631 ( 1.042 2.939 1.757) 3.579 11.742 ( 0.295 1.397 -3.349) 3.640 11.776 ( -1.845 -3.002 -1.665) 3.898 11.819 ( -1.939 -1.622 6.195) 6.691 11.899 ( -2.416 2.637 -0.674) 3.639 11.983 ( 0.511 -2.691 2.546) 3.740 12.007 ( 1.158 0.693 -3.912) 4.138 12.088 ( 0.789 -1.344 -2.102) 2.617 12.103 ( -0.442 0.761 -1.720) 1.932 12.207 ( 1.698 0.408 1.561) 2.343 12.312 ( -0.415 -2.080 0.685) 2.229 12.331 ( -0.083 -2.772 -0.398) 2.802 12.347 ( -1.838 -3.985 -4.943) 6.610 12.598 ( -1.566 0.134 3.092) 3.469 12.697 ( -1.737 -1.866 3.993) 4.737 12.759 ( 0.406 1.987 -0.590) 2.112 13.001 ( 1.535 -3.261 -5.535) 6.605 13.926 ( -0.498 -2.383 0.255) 2.447 13.941 ( 0.055 -3.089 -0.345) 3.109 15.346 ( -0.225 -0.262 0.117) 0.364 15.353 ( 0.305 -0.413 -0.161) 0.538 ======================= Grid point 45 (23/42) ======================= q-point: (-0.33 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.724 ( -13.551 -0.507 6.088) 14.865 0.923 ( -12.052 1.891 14.060) 18.615 1.118 ( -2.937 -1.893 9.033) 9.686 1.270 ( -3.620 2.015 -6.914) 8.061 1.311 ( 0.038 -2.013 2.149) 2.945 1.422 ( 0.825 -2.788 -5.390) 6.124 1.507 ( -2.654 1.642 -5.303) 6.153 1.536 ( 3.127 -7.167 2.465) 8.199 1.559 ( -9.302 1.753 1.571) 9.595 1.613 ( 0.351 1.550 -0.927) 1.840 1.686 ( -1.559 -12.557 1.283) 12.719 1.729 ( -1.504 -1.277 -2.916) 3.521 1.804 ( 0.994 -4.140 -0.866) 4.345 1.848 ( -1.140 -2.211 1.830) 3.088 1.933 ( -2.549 2.365 0.144) 3.480 1.954 ( -3.563 0.543 2.775) 4.549 1.982 ( -2.728 -0.754 1.334) 3.129 2.031 ( 0.749 -6.287 0.678) 6.367 2.110 ( 1.079 -1.172 -2.218) 2.731 2.172 ( -0.640 2.676 -0.140) 2.755 2.283 ( -2.253 -0.247 -0.705) 2.374 2.401 ( 1.192 3.927 -3.025) 5.098 2.449 ( -0.373 -1.690 0.394) 1.775 2.471 ( 0.197 -2.142 0.003) 2.151 2.616 ( -5.165 6.181 1.022) 8.119 2.749 ( -3.159 11.288 -2.328) 11.951 2.833 ( 1.623 13.493 -0.809) 13.615 2.877 ( 1.285 3.817 1.073) 4.168 2.931 ( 1.168 2.750 -3.261) 4.423 2.960 ( 0.756 -2.483 -2.180) 3.389 3.093 ( -2.551 8.662 -0.329) 9.036 3.124 ( -1.735 4.770 -0.730) 5.128 3.273 ( -1.136 2.105 0.679) 2.487 3.331 ( -3.295 1.669 1.386) 3.945 3.368 ( 1.357 1.313 0.173) 1.896 3.377 ( -2.289 -1.141 0.832) 2.690 3.487 ( -2.788 5.064 0.274) 5.787 3.521 ( -0.678 3.143 3.386) 4.670 3.640 ( 4.264 -0.942 1.103) 4.504 3.715 ( 4.743 4.583 -0.665) 6.629 3.841 ( 4.032 6.100 -0.232) 7.315 3.914 ( -5.670 -0.249 2.323) 6.132 4.016 ( -4.766 -4.192 2.890) 6.974 4.094 ( 1.170 -2.684 -1.848) 3.463 4.119 ( 1.641 -9.841 3.047) 10.432 4.215 ( 4.096 -6.537 -6.520) 10.100 4.298 ( -3.253 -4.288 2.501) 5.935 4.367 ( 3.846 -10.584 -1.620) 11.377 4.401 ( -3.515 -3.801 -1.651) 5.434 4.468 ( 1.610 -9.467 0.762) 9.633 4.560 ( -1.044 -6.439 5.411) 8.476 4.597 ( -4.713 -1.030 -3.087) 5.728 4.677 ( 1.401 1.541 -5.868) 6.226 4.762 ( 1.313 -4.814 1.666) 5.260 4.772 ( 1.283 -10.252 3.022) 10.765 4.819 ( 4.404 -1.263 -2.203) 5.084 4.910 ( -0.945 -5.832 -2.112) 6.274 5.010 ( 0.112 -4.651 0.948) 4.748 5.077 ( -1.930 -8.183 1.990) 8.639 5.192 ( -5.839 5.158 -3.216) 8.429 5.272 ( -4.275 -5.416 -2.557) 7.359 5.339 ( -4.269 4.491 1.404) 6.353 5.476 ( -0.749 2.412 -2.975) 3.902 5.560 ( -3.442 9.623 3.722) 10.877 5.612 ( 1.156 -0.093 -5.935) 6.048 5.709 ( -4.644 4.639 3.175) 7.292 5.795 ( -0.205 0.924 3.808) 3.924 5.817 ( 0.146 2.244 -6.619) 6.990 5.975 ( 1.126 5.329 2.483) 5.985 6.048 ( 2.175 -1.115 0.477) 2.490 6.086 ( 1.337 2.181 6.362) 6.857 6.308 ( 4.387 -6.167 0.451) 7.581 6.355 ( 5.078 2.881 4.149) 7.162 6.472 ( 4.100 2.121 -2.554) 5.276 6.587 ( 3.117 4.306 -4.454) 6.935 6.700 ( 3.698 -1.544 -1.133) 4.165 6.804 ( -0.094 1.342 -2.089) 2.485 6.864 ( 2.518 -0.244 -1.211) 2.805 7.237 ( -2.637 0.704 1.376) 3.056 7.322 ( -2.947 0.835 -2.579) 4.004 7.402 ( 4.912 1.604 2.031) 5.553 7.472 ( 0.876 -0.792 -1.343) 1.788 7.568 ( -2.721 -1.232 -1.046) 3.164 7.623 ( 0.636 -1.753 1.249) 2.244 7.793 ( 1.749 0.344 -2.334) 2.937 7.839 ( 0.852 -0.259 -3.095) 3.220 7.875 ( -3.482 -0.341 3.724) 5.110 7.890 ( 0.172 0.306 1.743) 1.778 7.976 ( 2.634 -0.228 0.491) 2.689 8.003 ( 0.884 0.364 1.116) 1.470 8.057 ( 1.620 -1.265 0.722) 2.178 8.105 ( 1.840 -2.295 -0.425) 2.972 8.274 ( -2.785 2.246 -0.268) 3.588 8.364 ( -3.045 -1.835 -0.533) 3.595 8.404 ( 2.962 5.239 1.428) 6.185 8.484 ( 1.246 3.009 0.658) 3.323 8.554 ( -0.523 0.341 0.124) 0.637 8.610 ( 0.946 0.507 -0.591) 1.225 8.629 ( 1.082 1.948 0.855) 2.387 8.702 ( 2.042 1.297 -1.758) 2.990 8.765 ( 0.187 5.881 1.335) 6.034 8.797 ( -0.176 5.413 -0.339) 5.426 8.874 ( -2.141 0.458 0.777) 2.323 8.944 ( -0.813 0.534 0.500) 1.094 9.020 ( -3.346 0.616 0.402) 3.426 9.050 ( -3.291 0.386 -1.960) 3.850 9.091 ( -4.492 -0.811 -0.214) 4.570 9.097 ( -0.052 -0.089 -0.871) 0.877 9.144 ( 2.065 -1.158 -0.217) 2.378 9.204 ( -0.346 0.225 -1.204) 1.273 9.225 ( -0.738 0.058 0.282) 0.793 9.268 ( 1.462 2.034 1.304) 2.824 9.317 ( -3.560 -2.867 0.546) 4.603 9.333 ( 1.475 -2.246 0.391) 2.715 9.370 ( 5.037 0.604 -0.408) 5.089 9.423 ( 3.816 -1.642 0.722) 4.217 9.448 ( 2.350 0.993 0.734) 2.655 9.514 ( 2.583 0.077 -0.985) 2.765 9.680 ( 5.254 -1.559 -0.459) 5.499 9.704 ( 5.770 -1.256 1.148) 6.016 9.840 ( -0.887 2.092 1.266) 2.601 9.858 ( 1.525 -0.858 2.847) 3.342 9.892 ( 0.602 2.600 -1.122) 2.895 9.990 ( 0.966 -2.375 0.047) 2.565 10.120 ( 1.359 -3.933 -0.305) 4.173 10.153 ( 2.306 -4.006 -1.534) 4.870 10.253 ( 1.311 1.374 -0.784) 2.054 10.309 ( 4.376 0.057 1.492) 4.623 10.434 ( -0.030 2.202 0.479) 2.254 10.477 ( 0.037 4.524 0.178) 4.528 10.503 ( 1.219 1.782 -0.023) 2.159 10.544 ( -0.765 5.609 -2.762) 6.298 10.699 ( 0.040 0.276 -0.228) 0.361 10.745 ( 2.106 1.004 0.171) 2.340 10.788 ( -0.020 2.180 1.714) 2.773 10.841 ( -0.676 -3.545 -1.510) 3.912 10.960 ( -2.205 -1.332 1.631) 3.049 11.129 ( -2.156 -1.363 4.635) 5.290 11.178 ( -1.964 1.346 1.947) 3.075 11.189 ( -4.179 -0.507 -3.154) 5.260 11.298 ( -1.679 6.488 -0.096) 6.702 11.342 ( -2.455 0.270 0.079) 2.471 11.347 ( -3.625 1.372 -3.949) 5.533 11.490 ( 1.888 -2.362 1.972) 3.610 11.510 ( 3.160 3.066 -0.226) 4.409 11.544 ( -0.108 -2.942 3.442) 4.529 11.592 ( 2.125 -1.115 -0.209) 2.409 11.656 ( -0.227 1.683 7.114) 7.314 11.670 ( -1.992 2.533 -2.280) 3.947 11.770 ( 1.089 1.129 -0.862) 1.790 11.802 ( -0.245 3.670 -6.946) 7.860 11.906 ( 0.122 -0.002 5.938) 5.939 11.965 ( -0.622 0.268 -0.819) 1.063 12.070 ( 3.073 -1.100 1.155) 3.463 12.110 ( 2.737 -2.235 -2.272) 4.201 12.125 ( 2.812 0.037 -2.023) 3.465 12.251 ( 1.187 0.830 1.643) 2.190 12.290 ( -1.168 -3.046 -5.668) 6.540 12.341 ( 3.012 -3.074 1.198) 4.468 12.366 ( 4.449 -1.716 -0.098) 4.770 12.575 ( -1.019 1.661 4.967) 5.336 12.679 ( -1.283 -2.390 2.523) 3.704 12.767 ( 0.358 2.034 -0.637) 2.161 13.007 ( 0.561 -3.785 -3.896) 5.461 13.879 ( -3.848 -2.361 -0.052) 4.515 13.927 ( -1.870 -3.707 -0.697) 4.210 15.324 ( -1.743 -0.110 -0.039) 1.747 15.338 ( -1.608 -0.470 0.001) 1.675 ======================= Grid point 46 (24/42) ======================= q-point: (-0.17 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.482 ( -10.222 4.008 11.299) 15.755 0.718 ( -11.335 8.041 16.808) 21.809 1.012 ( -9.311 11.110 12.915) 19.414 1.173 ( -3.398 -2.281 6.375) 7.576 1.209 ( -6.393 6.933 -6.067) 11.213 1.360 ( -5.457 1.749 -13.134) 14.329 1.384 ( -3.426 1.451 1.098) 3.880 1.532 ( 0.588 -2.415 -2.056) 3.226 1.598 ( 2.936 -6.830 -1.169) 7.526 1.649 ( 1.812 -3.027 -1.864) 3.990 1.661 ( -1.024 -11.494 2.494) 11.806 1.716 ( 1.422 -6.183 2.503) 6.820 1.800 ( -1.896 -2.449 3.801) 4.903 1.838 ( 0.954 -7.325 -3.331) 8.103 1.866 ( -3.236 -0.909 1.122) 3.543 1.890 ( -0.390 1.002 -3.893) 4.039 1.958 ( -1.794 -4.564 -0.069) 4.905 2.055 ( 1.218 -2.094 2.571) 3.533 2.090 ( -3.197 -2.100 -0.013) 3.825 2.165 ( -0.279 1.699 -0.666) 1.846 2.226 ( -2.548 -1.976 -2.680) 4.193 2.342 ( -7.203 -2.086 2.696) 7.969 2.401 ( 0.290 3.759 -4.046) 5.530 2.507 ( 0.590 2.680 3.221) 4.232 2.548 ( -0.775 4.928 -0.244) 4.994 2.682 ( -2.213 9.932 -2.451) 10.466 2.850 ( 1.189 14.867 -1.057) 14.952 2.894 ( 0.216 5.470 2.878) 6.184 2.961 ( -0.743 1.822 -1.851) 2.702 2.993 ( 4.252 0.960 -5.566) 7.070 3.026 ( -3.272 5.035 -1.594) 6.213 3.082 ( -1.535 8.765 0.355) 8.906 3.233 ( -2.106 2.879 1.047) 3.718 3.303 ( -2.341 -0.501 0.244) 2.406 3.325 ( -1.646 -4.932 3.029) 6.017 3.383 ( 0.085 -4.785 0.925) 4.874 3.424 ( -1.464 7.249 1.798) 7.611 3.600 ( 5.893 9.795 -3.362) 11.915 3.718 ( 2.432 -3.830 -1.267) 4.711 3.780 ( -0.336 -0.559 0.466) 0.801 3.827 ( -0.297 5.392 -2.909) 6.134 3.880 ( -1.006 -5.859 3.099) 6.705 3.971 ( 0.268 6.768 5.093) 8.475 4.079 ( -2.187 -1.705 -1.797) 3.305 4.194 ( 1.489 -8.568 4.585) 9.831 4.219 ( 2.858 -3.162 0.086) 4.263 4.287 ( -0.536 -2.872 0.182) 2.927 4.359 ( 0.084 -6.533 -6.970) 9.553 4.415 ( 0.847 -3.977 1.185) 4.235 4.469 ( -5.806 -6.335 1.818) 8.783 4.500 ( 1.442 -4.234 -3.560) 5.716 4.546 ( -0.799 -6.584 -0.758) 6.675 4.641 ( -1.865 -2.165 -4.861) 5.639 4.769 ( -3.148 -7.322 2.125) 8.248 4.832 ( -1.858 -8.818 -2.509) 9.355 4.873 ( 2.117 -1.162 -1.316) 2.751 4.933 ( 4.658 0.815 0.398) 4.746 4.961 ( -6.415 -7.262 -5.099) 10.949 5.006 ( 2.245 -5.191 5.452) 7.856 5.122 ( -0.444 -0.486 2.132) 2.231 5.185 ( -3.323 -2.038 0.205) 3.904 5.275 ( -2.751 0.593 -1.429) 3.156 5.441 ( -4.769 -0.048 -0.220) 4.774 5.509 ( 0.754 9.855 3.573) 10.510 5.595 ( -1.150 -0.417 -2.908) 3.155 5.643 ( -3.164 6.310 5.695) 9.070 5.797 ( 0.266 1.316 -4.829) 5.012 5.870 ( 4.490 -0.652 -1.017) 4.649 6.000 ( 0.450 4.444 0.216) 4.472 6.100 ( 0.108 2.104 7.120) 7.425 6.104 ( 2.133 0.985 0.991) 2.550 6.415 ( 4.435 -6.939 -0.473) 8.249 6.451 ( 3.013 2.103 1.316) 3.903 6.526 ( 1.408 0.474 -3.615) 3.908 6.645 ( 2.973 2.105 -2.260) 4.287 6.777 ( 1.750 -0.622 -3.234) 3.729 6.794 ( 1.888 2.837 0.857) 3.514 6.903 ( 0.798 0.861 0.113) 1.179 7.191 ( -2.014 1.685 0.927) 2.784 7.256 ( -2.303 0.961 -2.628) 3.624 7.462 ( -0.169 -2.177 -0.905) 2.363 7.505 ( 0.381 -0.540 -1.290) 1.449 7.537 ( 2.673 2.180 1.718) 3.854 7.661 ( 2.143 -0.933 1.235) 2.643 7.786 ( -1.778 -0.551 2.048) 2.768 7.838 ( -0.303 -0.194 0.024) 0.360 7.848 ( 0.985 0.575 -0.783) 1.384 7.920 ( 1.061 -0.863 -1.980) 2.407 8.017 ( 2.028 -1.787 -0.045) 2.703 8.058 ( 2.180 -0.987 -0.018) 2.393 8.100 ( 2.517 -0.325 1.252) 2.830 8.135 ( 1.566 -2.081 -1.040) 2.804 8.236 ( -1.035 1.543 0.266) 1.877 8.303 ( -2.577 -1.929 -1.588) 3.590 8.446 ( 0.727 7.226 2.051) 7.547 8.508 ( 0.793 5.669 0.183) 5.727 8.542 ( -0.129 0.003 -0.438) 0.457 8.602 ( -0.701 -0.235 -1.289) 1.487 8.650 ( 0.239 0.982 2.350) 2.559 8.743 ( 1.889 2.295 -1.282) 3.237 8.758 ( -0.484 4.498 -0.711) 4.580 8.810 ( -0.219 6.206 0.456) 6.226 8.826 ( -2.483 0.584 2.852) 3.826 8.878 ( -3.501 1.467 1.963) 4.274 8.940 ( -2.995 0.780 -1.053) 3.269 9.002 ( -1.387 -0.297 -1.482) 2.051 9.060 ( 0.569 1.095 -3.763) 3.960 9.094 ( -0.140 -2.012 -1.283) 2.391 9.189 ( 1.537 -0.608 0.159) 1.660 9.223 ( 1.095 -2.558 -1.353) 3.094 9.238 ( 2.427 -0.227 1.865) 3.069 9.270 ( 0.542 1.843 1.253) 2.294 9.289 ( 1.061 0.029 0.259) 1.092 9.395 ( 3.030 -0.632 0.400) 3.121 9.431 ( 0.999 0.843 0.891) 1.582 9.490 ( 1.835 3.126 -0.923) 3.740 9.523 ( 3.190 0.175 -2.080) 3.812 9.578 ( 5.058 -0.048 -0.271) 5.065 9.722 ( -1.953 -0.570 -0.243) 2.049 9.787 ( 1.730 1.454 1.075) 2.503 9.787 ( -4.377 -1.585 1.155) 4.797 9.885 ( 1.308 0.997 -1.008) 1.929 9.945 ( 3.769 -3.357 4.892) 7.029 10.051 ( 4.700 -2.513 1.911) 5.662 10.079 ( -2.408 -3.372 0.096) 4.145 10.247 ( 3.264 -2.221 -0.878) 4.045 10.336 ( 5.650 1.929 -1.427) 6.138 10.394 ( 0.059 4.673 1.561) 4.927 10.440 ( 3.604 -4.424 -0.899) 5.777 10.476 ( 0.354 2.136 -0.567) 2.238 10.515 ( 0.018 1.350 -1.867) 2.304 10.587 ( 4.766 -0.421 1.509) 5.017 10.724 ( 3.138 -1.217 -1.320) 3.616 10.770 ( -1.551 0.951 -0.155) 1.826 10.798 ( 0.250 -0.371 3.425) 3.454 10.840 ( 3.736 0.899 -1.062) 3.986 10.924 ( -1.583 -0.150 -1.111) 1.940 11.009 ( -10.612 -6.037 -2.708) 12.506 11.065 ( -5.844 0.447 2.601) 6.412 11.130 ( -3.081 2.837 2.288) 4.772 11.205 ( -4.311 2.612 -1.784) 5.346 11.331 ( -0.079 1.467 -1.608) 2.178 11.335 ( 1.665 3.029 -1.353) 3.712 11.452 ( -5.787 -1.829 1.319) 6.211 11.523 ( -0.932 -0.936 1.561) 2.045 11.535 ( -1.414 -0.713 5.444) 5.669 11.608 ( -1.136 -1.397 -1.846) 2.578 11.641 ( 0.680 -1.475 -0.438) 1.682 11.727 ( 1.983 4.352 0.454) 4.804 11.767 ( 0.591 1.287 0.543) 1.517 11.790 ( -0.061 5.567 -10.258) 11.671 11.909 ( -0.859 -0.330 4.276) 4.374 11.981 ( 2.558 3.936 -0.343) 4.707 12.090 ( -0.498 0.750 -1.483) 1.735 12.170 ( 2.089 -1.690 0.444) 2.723 12.197 ( 3.116 -0.169 -1.556) 3.487 12.248 ( 0.660 2.230 -2.455) 3.382 12.288 ( 0.530 -0.348 -4.133) 4.182 12.449 ( 6.687 -3.426 4.272) 8.643 12.512 ( 8.366 -0.213 -2.271) 8.671 12.638 ( 3.334 -1.698 7.381) 8.275 12.645 ( -0.208 -1.669 3.209) 3.623 12.780 ( 2.701 0.974 3.502) 4.529 13.015 ( 0.920 -5.118 -0.987) 5.293 13.780 ( -5.629 -2.634 -0.684) 6.252 13.842 ( -6.221 -3.426 -1.858) 7.341 15.288 ( -1.493 -0.009 -0.044) 1.494 15.298 ( -1.942 -0.274 0.026) 1.961 ======================= Grid point 47 (25/42) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.742 ( 3.423 14.721 7.307) 16.788 0.862 ( -0.043 13.736 15.913) 21.022 0.992 ( 0.605 -9.700 2.569) 10.053 1.121 ( -1.548 -7.251 10.228) 12.633 1.227 ( 1.853 5.627 1.417) 6.091 1.305 ( -0.565 -1.451 -12.445) 12.542 1.394 ( -1.628 4.705 -2.760) 5.693 1.425 ( -2.166 -0.361 -4.437) 4.951 1.494 ( 1.792 -5.501 -5.423) 7.930 1.523 ( 1.923 -7.335 -4.594) 8.866 1.602 ( -0.041 -0.694 -1.464) 1.621 1.630 ( -1.841 -5.912 -0.872) 6.253 1.714 ( -0.415 2.221 0.018) 2.260 1.769 ( 2.829 2.889 2.518) 4.764 1.800 ( 1.729 -5.665 -2.239) 6.332 1.875 ( 0.389 -3.815 -0.853) 3.928 1.915 ( -1.227 3.236 0.213) 3.468 2.015 ( -1.973 -3.065 0.429) 3.670 2.021 ( -0.976 4.527 1.132) 4.767 2.119 ( -1.156 -5.224 1.014) 5.446 2.206 ( 1.518 2.016 5.737) 6.267 2.256 ( 0.430 -2.038 4.074) 4.575 2.487 ( -0.380 4.926 -4.263) 6.526 2.559 ( -0.766 -1.835 -4.748) 5.148 2.614 ( -0.620 6.178 5.071) 8.017 2.709 ( -1.143 -2.631 0.059) 2.869 2.958 ( 0.271 1.985 2.432) 3.151 2.979 ( 0.992 -1.367 1.929) 2.564 3.031 ( -0.535 3.811 1.610) 4.172 3.087 ( 1.627 -0.359 -1.451) 2.210 3.140 ( -1.158 4.100 3.202) 5.329 3.224 ( -0.686 -4.064 0.305) 4.132 3.304 ( 0.484 14.257 -3.802) 14.763 3.335 ( -1.405 9.187 -2.493) 9.623 3.340 ( 0.066 12.938 0.373) 12.943 3.416 ( 1.964 11.868 -1.662) 12.144 3.591 ( 1.462 -0.407 0.290) 1.545 3.632 ( 0.340 -5.506 -0.022) 5.517 3.657 ( -2.901 -6.124 -0.611) 6.804 3.773 ( 1.077 -3.455 -3.759) 5.218 3.809 ( 0.323 -3.729 -1.494) 4.030 3.855 ( -0.787 -6.071 -2.642) 6.668 3.973 ( -2.659 -3.126 1.802) 4.481 4.006 ( 1.568 2.167 2.825) 3.890 4.113 ( 2.441 -9.692 1.979) 10.189 4.192 ( 0.890 -7.428 1.632) 7.657 4.211 ( -2.441 4.943 3.838) 6.718 4.267 ( -0.073 3.477 4.203) 5.455 4.297 ( 2.366 0.292 -5.999) 6.455 4.400 ( 3.440 -7.609 -2.557) 8.733 4.437 ( -2.539 -2.070 -0.833) 3.380 4.483 ( -1.253 1.848 -1.655) 2.779 4.553 ( -4.719 -6.624 0.375) 8.142 4.600 ( 2.214 -0.609 -3.970) 4.586 4.660 ( -1.999 -3.098 -1.310) 3.913 4.683 ( -1.106 -5.287 -2.200) 5.832 4.898 ( 1.210 2.439 2.109) 3.444 4.991 ( 2.625 -4.760 4.570) 7.101 5.021 ( -0.136 -0.007 -1.931) 1.935 5.058 ( -1.382 -3.932 -0.752) 4.235 5.187 ( 0.547 2.702 -2.917) 4.014 5.227 ( 1.444 -1.698 -4.731) 5.230 5.400 ( 0.805 3.311 -2.396) 4.166 5.477 ( -1.217 -3.686 -4.968) 6.305 5.725 ( 1.467 6.056 -0.291) 6.238 5.767 ( -0.775 6.774 8.547) 10.933 5.814 ( 1.614 -0.840 -3.942) 4.342 5.886 ( 0.027 -3.555 7.631) 8.418 6.067 ( -0.946 4.064 4.066) 5.826 6.125 ( -0.422 -1.656 3.016) 3.466 6.198 ( -0.338 4.776 4.856) 6.820 6.308 ( -0.831 -6.792 5.347) 8.684 6.525 ( 0.012 2.321 -1.999) 3.063 6.544 ( 1.044 0.122 -2.476) 2.690 6.711 ( 1.098 1.455 -5.674) 5.960 6.742 ( 0.035 -1.654 -5.210) 5.466 6.888 ( -0.632 2.176 1.749) 2.863 6.918 ( -0.716 -0.570 0.780) 1.202 7.206 ( 0.010 1.725 -0.223) 1.740 7.228 ( 0.157 -0.535 -1.177) 1.303 7.447 ( -0.201 0.158 -0.639) 0.688 7.460 ( -0.594 -1.133 -0.898) 1.564 7.638 ( 0.608 1.456 1.634) 2.271 7.659 ( -1.041 -0.672 1.772) 2.162 7.795 ( -0.123 2.549 -0.303) 2.570 7.842 ( 1.196 -1.573 -1.377) 2.408 7.863 ( -0.680 0.408 0.254) 0.833 7.880 ( -0.649 -1.747 -0.414) 1.909 8.020 ( -0.879 -1.125 0.398) 1.483 8.024 ( 0.993 -1.550 0.350) 1.874 8.121 ( 0.652 0.329 -1.377) 1.559 8.139 ( 1.493 -1.224 -2.579) 3.221 8.248 ( -0.689 1.258 0.699) 1.596 8.264 ( -0.439 -0.279 0.014) 0.520 8.504 ( -0.124 0.168 1.017) 1.038 8.512 ( 0.287 -0.856 0.512) 1.038 8.601 ( -0.069 3.309 0.995) 3.456 8.633 ( 0.305 0.002 -0.327) 0.448 8.711 ( 0.057 3.691 2.708) 4.578 8.754 ( -0.766 -0.586 2.463) 2.645 8.813 ( -0.097 1.396 0.894) 1.661 8.827 ( -0.532 0.639 1.545) 1.755 8.859 ( 0.105 1.807 -0.531) 1.886 8.895 ( 0.045 -2.115 -1.049) 2.361 8.955 ( -0.311 5.935 0.009) 5.943 9.015 ( 0.501 4.520 -0.830) 4.623 9.052 ( -0.123 -2.838 -1.882) 3.407 9.109 ( 0.354 -2.201 -4.141) 4.703 9.125 ( 0.156 -1.146 -0.026) 1.157 9.142 ( -0.419 -2.096 -0.421) 2.179 9.306 ( -0.886 0.358 0.783) 1.236 9.311 ( 1.268 -0.518 0.720) 1.547 9.370 ( 1.173 2.714 -0.404) 2.984 9.389 ( -2.053 1.158 -1.178) 2.635 9.483 ( -1.326 1.990 0.229) 2.402 9.519 ( -0.793 -1.248 -1.952) 2.449 9.619 ( 0.675 -1.393 0.470) 1.617 9.622 ( -0.173 -1.153 0.423) 1.240 9.681 ( 0.157 2.361 0.563) 2.432 9.719 ( 3.950 -0.671 -0.600) 4.051 9.859 ( 1.029 2.279 0.773) 2.617 9.890 ( 0.284 -0.223 -0.472) 0.594 9.942 ( 0.268 0.642 0.355) 0.782 9.992 ( -1.462 -3.377 -1.628) 4.024 10.140 ( 0.323 0.804 3.144) 3.262 10.196 ( -2.139 -4.261 1.585) 5.025 10.392 ( -1.977 1.480 -0.570) 2.535 10.408 ( -0.958 -0.582 -1.012) 1.510 10.475 ( -2.228 1.112 0.075) 2.491 10.497 ( 1.983 -0.666 0.136) 2.096 10.521 ( -1.921 -0.100 -0.773) 2.073 10.529 ( 0.084 -0.006 -0.995) 0.998 10.766 ( -1.352 4.794 0.483) 5.004 10.811 ( 2.538 1.693 -1.150) 3.260 10.837 ( 2.209 -0.724 2.023) 3.081 10.848 ( 0.134 -1.559 1.541) 2.196 10.918 ( 4.996 -1.721 1.098) 5.397 10.947 ( 5.259 -3.869 0.208) 6.533 10.977 ( -3.117 1.761 -1.673) 3.952 11.026 ( -4.774 -2.679 -1.973) 5.819 11.235 ( -1.156 5.171 2.412) 5.821 11.296 ( -1.073 0.667 0.291) 1.296 11.407 ( -1.277 1.492 1.627) 2.551 11.435 ( 0.190 1.305 1.950) 2.354 11.478 ( -0.316 0.425 1.194) 1.306 11.526 ( 2.556 -2.331 -0.194) 3.464 11.556 ( -1.940 0.663 -1.138) 2.345 11.591 ( -1.850 -2.285 -1.217) 3.182 11.770 ( -0.161 3.398 -2.190) 4.046 11.822 ( -0.324 -0.487 1.656) 1.756 11.842 ( 1.443 1.787 -1.185) 2.584 11.881 ( 0.814 -2.121 1.411) 2.674 12.083 ( 0.312 2.448 -2.276) 3.357 12.103 ( 1.008 0.026 -1.826) 2.086 12.172 ( -2.047 2.084 1.999) 3.540 12.223 ( -0.112 0.781 0.764) 1.098 12.251 ( -0.911 -1.173 -2.044) 2.526 12.303 ( -0.299 -2.525 -1.405) 2.905 12.531 ( 1.637 2.342 -0.270) 2.870 12.590 ( 0.894 -0.937 1.850) 2.258 12.629 ( -0.265 -0.470 -1.269) 1.379 12.682 ( 1.871 -2.309 2.496) 3.881 12.783 ( -2.839 0.362 -0.429) 2.894 12.876 ( 0.185 -7.051 -1.775) 7.273 13.705 ( 0.446 1.343 0.740) 1.597 13.736 ( 0.518 -1.716 -0.606) 1.892 15.272 ( 0.035 0.004 0.034) 0.049 15.273 ( -0.095 -0.074 -0.004) 0.121 ======================= Grid point 48 (26/42) ======================= q-point: ( 0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.800 ( 0.684 13.044 9.223) 15.990 0.959 ( 4.327 10.026 14.424) 18.091 1.092 ( 4.438 -14.579 3.978) 15.750 1.127 ( 0.867 1.150 6.154) 6.321 1.227 ( 1.210 -1.252 -6.777) 6.997 1.337 ( 3.745 -5.402 -1.757) 6.804 1.363 ( -0.639 1.635 -2.096) 2.734 1.432 ( 3.915 4.150 -5.056) 7.623 1.517 ( -1.468 -2.923 0.207) 3.277 1.556 ( -0.059 -4.204 -2.215) 4.752 1.599 ( 3.396 -4.148 -3.868) 6.611 1.622 ( 3.359 -5.641 -3.649) 7.511 1.742 ( 2.037 1.911 -0.882) 2.929 1.801 ( 0.434 -3.395 -1.518) 3.744 1.864 ( 3.438 0.646 -0.784) 3.585 1.897 ( 1.121 6.972 -0.944) 7.124 1.901 ( 1.044 -1.037 -0.444) 1.537 1.992 ( -0.065 -3.341 2.190) 3.995 2.030 ( 2.330 0.670 2.897) 3.778 2.139 ( 2.822 -6.113 1.488) 6.895 2.275 ( 2.927 4.137 5.356) 7.374 2.331 ( 5.071 -1.062 5.135) 7.295 2.467 ( -0.226 4.526 -5.892) 7.433 2.530 ( -0.424 -1.059 -5.612) 5.727 2.643 ( 2.169 5.647 4.212) 7.371 2.717 ( 2.071 -2.042 -0.044) 2.909 2.936 ( -2.322 8.213 1.909) 8.745 3.020 ( 1.677 -3.589 3.687) 5.412 3.060 ( 1.921 2.390 -2.679) 4.072 3.094 ( -1.004 1.334 -2.026) 2.625 3.162 ( 2.540 -3.746 6.202) 7.678 3.180 ( -4.083 -3.698 -0.237) 5.514 3.281 ( -0.091 9.195 -0.265) 9.199 3.332 ( 1.067 18.156 -3.481) 18.517 3.365 ( 2.383 12.169 -1.571) 12.500 3.476 ( 3.481 11.794 -2.236) 12.499 3.575 ( -2.217 -0.321 1.009) 2.457 3.616 ( 0.366 -8.185 -0.962) 8.250 3.646 ( 0.408 -1.880 1.402) 2.381 3.761 ( -3.368 -4.868 0.933) 5.993 3.804 ( -0.678 -4.771 -1.269) 4.983 3.852 ( 1.623 -9.245 -3.289) 9.946 3.916 ( -0.269 4.209 -4.382) 6.082 4.048 ( 1.337 -4.026 0.550) 4.277 4.123 ( -3.275 4.549 2.285) 6.054 4.147 ( -2.514 -4.757 5.479) 7.679 4.203 ( -0.293 -5.212 0.791) 5.280 4.264 ( -0.224 0.201 1.650) 1.677 4.325 ( -0.403 -0.944 -2.838) 3.018 4.383 ( -2.105 -0.322 0.452) 2.177 4.442 ( -4.128 -8.238 3.072) 9.713 4.473 ( 3.246 -6.178 -0.540) 7.000 4.490 ( 2.087 -0.529 -5.750) 6.140 4.623 ( -1.610 -6.309 2.562) 6.998 4.685 ( 4.175 -0.810 -2.594) 4.981 4.713 ( 4.131 -1.298 -2.278) 4.892 4.904 ( 0.305 2.337 -1.337) 2.710 4.968 ( -3.609 -4.459 -0.006) 5.736 5.007 ( -0.649 -0.187 2.425) 2.518 5.091 ( 1.216 -5.630 -1.109) 5.866 5.196 ( 2.426 2.360 -4.385) 5.540 5.246 ( 2.371 -3.138 -6.044) 7.211 5.479 ( 6.331 2.308 -1.688) 6.947 5.499 ( 4.792 0.595 -2.785) 5.574 5.729 ( -1.422 5.432 6.706) 8.746 5.802 ( 1.770 2.552 -0.461) 3.140 5.842 ( 1.703 1.750 1.022) 2.647 5.911 ( 1.338 -2.321 1.644) 3.143 6.055 ( -1.756 3.997 3.421) 5.547 6.092 ( -3.077 0.232 0.506) 3.127 6.187 ( -2.166 3.633 9.223) 10.146 6.285 ( -2.461 -6.603 8.145) 10.770 6.478 ( -3.832 4.266 -3.220) 6.576 6.530 ( -2.094 -0.963 -3.134) 3.890 6.701 ( -1.382 1.415 -6.563) 6.854 6.728 ( -0.485 -1.301 -5.747) 5.912 6.851 ( -2.583 2.087 1.459) 3.627 6.888 ( -2.060 -1.371 1.347) 2.818 7.221 ( 1.286 2.442 -0.273) 2.773 7.257 ( 2.585 -1.231 -0.993) 3.031 7.425 ( -1.584 0.696 -0.462) 1.791 7.453 ( -0.108 -1.981 -0.876) 2.169 7.607 ( -3.110 1.295 1.134) 3.555 7.628 ( -1.315 -0.720 1.187) 1.912 7.773 ( -1.667 2.457 0.445) 3.002 7.812 ( -2.567 -1.110 -0.169) 2.802 7.877 ( 1.518 -0.097 -0.538) 1.614 7.891 ( 1.335 -1.679 -0.858) 2.311 8.002 ( -0.717 0.259 0.166) 0.781 8.029 ( -0.916 -2.262 0.348) 2.465 8.130 ( -0.139 1.113 -0.833) 1.397 8.151 ( -0.106 -0.753 -1.582) 1.755 8.244 ( 0.789 0.496 0.530) 1.072 8.255 ( -0.021 -0.380 0.340) 0.510 8.518 ( 0.916 1.361 1.012) 1.928 8.541 ( 1.220 -0.415 1.002) 1.632 8.614 ( 1.205 1.779 0.680) 2.253 8.635 ( -0.152 -0.284 1.041) 1.090 8.677 ( -3.406 4.373 1.237) 5.679 8.732 ( -2.608 -0.962 1.911) 3.373 8.811 ( 0.079 2.715 -0.672) 2.798 8.849 ( 2.052 -0.742 1.107) 2.447 8.900 ( 3.466 1.481 0.303) 3.781 8.908 ( 0.910 0.730 -0.250) 1.193 8.961 ( 1.398 3.577 -0.450) 3.867 9.033 ( 0.597 2.434 -2.480) 3.526 9.036 ( 0.204 -0.823 -0.778) 1.151 9.096 ( -0.091 -0.075 -3.631) 3.633 9.122 ( 0.241 -1.014 -0.286) 1.080 9.158 ( 1.808 -3.541 0.574) 4.017 9.251 ( -3.353 1.371 0.672) 3.685 9.288 ( -3.053 -2.084 -0.553) 3.738 9.336 ( -2.125 3.220 0.398) 3.879 9.376 ( -0.961 0.528 0.848) 1.386 9.452 ( -1.979 3.112 0.582) 3.733 9.497 ( -2.238 -1.459 -0.824) 2.796 9.527 ( -5.621 0.297 -0.487) 5.650 9.562 ( -3.970 -2.433 -0.208) 4.661 9.745 ( 1.666 3.033 0.367) 3.480 9.800 ( 1.395 -2.022 0.404) 2.490 9.855 ( -0.887 2.139 -0.607) 2.394 9.920 ( -1.350 -4.692 -0.179) 4.885 9.948 ( 1.255 2.206 -0.018) 2.538 9.955 ( 0.213 -0.031 2.526) 2.535 10.052 ( -6.704 0.439 2.053) 7.025 10.111 ( -4.593 -4.607 -2.013) 6.809 10.347 ( -3.917 0.399 -1.084) 4.084 10.353 ( -2.331 0.130 -0.302) 2.354 10.461 ( 0.816 1.049 -0.126) 1.335 10.466 ( -0.759 -0.184 -0.281) 0.830 10.554 ( 1.179 1.524 0.081) 1.928 10.562 ( 2.901 0.612 0.011) 2.965 10.705 ( -2.818 3.131 -0.381) 4.230 10.758 ( -4.720 -2.499 0.201) 5.345 10.807 ( -2.058 1.900 0.774) 2.906 10.863 ( -0.881 -2.524 0.603) 2.740 11.021 ( 6.788 1.820 -3.011) 7.646 11.042 ( 6.307 0.642 -3.075) 7.046 11.089 ( 8.027 0.675 3.230) 8.679 11.140 ( 7.906 -3.095 3.317) 9.115 11.218 ( -0.000 3.316 0.914) 3.440 11.276 ( -0.306 -1.710 0.517) 1.812 11.383 ( -0.558 3.711 -0.036) 3.753 11.439 ( -1.012 -0.792 -0.028) 1.286 11.480 ( -1.627 2.774 2.740) 4.225 11.526 ( -1.024 0.844 1.392) 1.923 11.563 ( 1.386 -1.415 -0.521) 2.048 11.600 ( 4.141 -3.625 0.443) 5.521 11.748 ( -1.554 4.163 -1.176) 4.597 11.794 ( -2.305 0.140 2.403) 3.333 11.863 ( 0.391 1.395 -4.862) 5.073 11.899 ( 0.573 -2.036 -0.265) 2.132 12.078 ( -1.023 2.092 -0.437) 2.369 12.091 ( -1.781 2.019 -1.765) 3.219 12.125 ( -2.140 0.071 2.000) 2.930 12.192 ( -3.856 -2.873 -1.792) 5.132 12.224 ( -0.279 1.533 0.477) 1.629 12.278 ( -0.912 -2.651 -1.883) 3.377 12.457 ( -6.937 2.621 -0.802) 7.459 12.515 ( -8.558 -2.624 -1.737) 9.119 12.620 ( -0.037 1.036 4.219) 4.344 12.675 ( -1.496 -4.556 6.965) 8.456 12.784 ( 2.669 3.441 -3.371) 5.507 12.881 ( 0.424 -6.182 -2.863) 6.826 13.765 ( 4.398 0.224 -0.160) 4.406 13.797 ( 4.315 -2.765 -0.356) 5.138 15.289 ( 1.545 -0.008 -0.059) 1.546 15.290 ( 1.567 -0.128 0.085) 1.574 ======================= Grid point 49 (27/42) ======================= q-point: ( 0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.857 ( 3.439 5.123 5.640) 8.360 1.021 ( -3.610 -7.474 2.340) 8.623 1.103 ( 0.796 1.384 10.951) 11.067 1.174 ( -0.388 -1.925 10.182) 10.369 1.306 ( 3.496 6.745 -4.889) 9.035 1.368 ( -0.975 -2.150 1.912) 3.038 1.407 ( 6.261 -1.317 -1.068) 6.487 1.494 ( 4.255 -8.510 -3.988) 10.317 1.506 ( 0.102 -2.800 -0.791) 2.912 1.562 ( 2.383 -1.072 -4.834) 5.495 1.644 ( -0.154 -2.880 -2.257) 3.662 1.677 ( 2.173 -4.410 -2.821) 5.668 1.772 ( 0.956 -0.653 0.192) 1.174 1.800 ( 0.365 -1.410 -0.152) 1.465 1.873 ( -1.107 -0.694 -0.383) 1.361 1.927 ( 0.222 -2.789 -1.244) 3.062 1.945 ( 4.795 6.937 -1.658) 8.594 2.074 ( 6.247 4.271 3.043) 8.157 2.134 ( 5.214 -3.986 2.510) 7.026 2.215 ( 3.020 -3.029 1.448) 4.516 2.318 ( 0.281 5.779 4.625) 7.407 2.398 ( -0.388 -0.227 -0.284) 0.532 2.467 ( 1.308 1.670 -2.356) 3.170 2.502 ( -1.331 -1.135 -4.167) 4.519 2.731 ( 4.559 5.807 1.067) 7.460 2.768 ( 1.714 2.100 -0.149) 2.715 2.908 ( 0.439 9.196 -1.818) 9.384 3.014 ( -1.904 4.200 -2.849) 5.420 3.028 ( -3.206 -4.910 1.594) 6.077 3.099 ( 1.030 -0.494 -2.003) 2.306 3.135 ( 1.797 -2.097 5.649) 6.288 3.242 ( 2.626 -1.164 4.931) 5.706 3.304 ( -0.465 14.215 0.005) 14.223 3.360 ( 4.348 7.346 -2.242) 8.826 3.427 ( 3.378 11.338 -3.401) 12.309 3.481 ( -3.497 4.600 2.681) 6.370 3.576 ( 1.381 -0.333 1.163) 1.836 3.620 ( -0.416 -1.882 -0.793) 2.084 3.651 ( 0.379 -3.834 -2.979) 4.870 3.695 ( -1.412 -4.477 1.719) 4.999 3.813 ( 2.348 -3.792 -1.500) 4.705 3.868 ( -0.358 4.934 -2.420) 5.507 3.940 ( 3.592 -4.632 -4.078) 7.141 4.022 ( -5.474 6.161 6.332) 10.394 4.057 ( -0.026 -6.037 -3.549) 7.003 4.120 ( -3.292 -7.509 0.442) 8.211 4.183 ( -1.186 -4.976 0.489) 5.139 4.251 ( -2.756 -4.389 3.984) 6.537 4.300 ( -0.629 -5.196 -1.625) 5.480 4.353 ( -1.076 -8.474 2.894) 9.019 4.385 ( -1.513 5.849 1.287) 6.177 4.515 ( 1.630 -1.697 0.157) 2.358 4.549 ( 2.715 -5.871 -1.915) 6.745 4.594 ( 0.016 -5.811 0.107) 5.812 4.762 ( 4.236 1.178 -3.521) 5.633 4.807 ( 4.701 -3.642 0.223) 5.952 4.848 ( -4.617 1.548 -3.190) 5.822 4.938 ( -0.316 -2.415 -0.058) 2.436 5.009 ( -3.864 -4.378 1.187) 5.959 5.043 ( 0.487 -5.308 1.691) 5.592 5.302 ( 8.592 2.894 -5.230) 10.467 5.348 ( 7.969 -0.945 -5.604) 9.788 5.602 ( 5.555 2.587 -1.624) 6.339 5.607 ( 5.210 1.984 -2.580) 6.144 5.703 ( -3.448 4.708 4.011) 7.081 5.796 ( -2.026 -3.243 0.757) 3.898 5.885 ( 1.421 5.033 -0.595) 5.263 5.939 ( 0.990 -0.082 -2.284) 2.491 6.003 ( -3.254 2.818 3.605) 5.615 6.032 ( -3.009 -0.026 3.012) 4.257 6.163 ( -2.705 5.073 10.164) 11.677 6.262 ( -2.411 -5.296 9.654) 11.272 6.382 ( -3.537 5.311 -3.113) 7.099 6.457 ( -3.230 -2.109 -3.387) 5.134 6.621 ( -3.646 1.396 -5.265) 6.554 6.664 ( -4.078 -2.831 -4.647) 6.800 6.817 ( -0.696 3.331 -0.632) 3.461 6.867 ( -0.175 -1.495 -0.743) 1.678 7.251 ( 1.600 2.565 0.062) 3.023 7.303 ( 1.661 -2.711 -0.889) 3.301 7.399 ( -0.640 2.251 0.537) 2.401 7.452 ( 0.524 -3.012 -0.517) 3.101 7.567 ( -0.831 2.575 -0.401) 2.735 7.614 ( -0.400 -2.128 -0.266) 2.181 7.751 ( -0.347 1.666 0.258) 1.721 7.775 ( -0.542 -0.738 -0.784) 1.206 7.911 ( 1.400 -0.097 0.684) 1.561 7.916 ( 1.264 -0.490 0.479) 1.438 7.991 ( -0.604 -0.169 -0.163) 0.648 7.999 ( -0.885 -1.012 -0.087) 1.347 8.096 ( -3.185 1.250 1.287) 3.656 8.115 ( -3.522 -0.451 0.383) 3.571 8.283 ( 3.086 0.389 -0.394) 3.135 8.298 ( 4.241 -1.249 0.531) 4.453 8.516 ( -2.239 2.688 1.422) 3.777 8.540 ( -3.165 1.253 1.087) 3.573 8.589 ( -2.402 1.271 2.278) 3.546 8.604 ( -2.756 0.167 2.792) 3.927 8.668 ( 1.708 1.369 -2.060) 3.006 8.691 ( -0.113 -0.081 -2.200) 2.204 8.815 ( 0.393 4.003 0.163) 4.026 8.873 ( -0.531 -0.716 0.512) 1.028 8.924 ( 0.917 2.810 -1.278) 3.221 8.966 ( 1.926 2.173 -0.145) 2.907 8.995 ( 1.214 -1.509 -2.828) 3.428 9.031 ( 0.895 -2.767 -0.941) 3.057 9.077 ( 4.150 3.430 -0.378) 5.397 9.123 ( 1.843 -0.094 -0.379) 1.884 9.133 ( 1.823 1.553 0.010) 2.395 9.191 ( -1.159 -4.064 0.397) 4.245 9.235 ( 2.314 0.948 -0.370) 2.528 9.259 ( 3.061 -1.463 -0.357) 3.412 9.307 ( -0.858 1.159 2.446) 2.839 9.344 ( -2.576 -0.477 2.038) 3.319 9.368 ( -5.170 1.106 0.684) 5.331 9.398 ( -4.573 1.761 -0.916) 4.985 9.450 ( -2.486 -0.235 -0.073) 2.499 9.503 ( -2.165 -2.558 -0.917) 3.474 9.651 ( -9.372 0.753 0.375) 9.410 9.704 ( -10.134 -3.843 0.669) 10.859 9.861 ( 1.341 2.177 1.680) 3.060 9.894 ( -0.140 0.239 0.889) 0.931 9.948 ( -0.540 2.770 1.055) 3.013 9.983 ( 0.566 1.202 -3.682) 3.914 10.027 ( 2.482 -2.854 0.949) 3.899 10.048 ( -0.684 -4.243 -2.399) 4.922 10.274 ( -2.393 1.868 -0.898) 3.166 10.301 ( -2.128 -0.762 -0.434) 2.302 10.473 ( 0.753 1.933 1.225) 2.409 10.490 ( 1.628 0.720 1.211) 2.153 10.570 ( 0.609 3.156 0.560) 3.263 10.621 ( 2.448 -1.057 0.119) 2.669 10.696 ( 1.495 1.765 -1.110) 2.566 10.713 ( -0.292 -1.289 -0.866) 1.580 10.742 ( -3.492 2.556 -0.686) 4.381 10.821 ( -2.407 -3.602 -1.231) 4.504 11.127 ( 1.235 3.829 3.162) 5.117 11.150 ( 3.682 1.052 1.913) 4.281 11.196 ( 1.692 2.429 3.248) 4.395 11.232 ( 2.076 -0.734 -0.204) 2.212 11.288 ( 6.780 3.113 -0.625) 7.486 11.323 ( 2.105 -0.223 -2.261) 3.097 11.373 ( 0.868 -2.397 1.333) 2.877 11.399 ( -1.890 -4.645 0.423) 5.033 11.462 ( 0.146 6.527 -0.057) 6.529 11.521 ( 0.082 0.445 1.218) 1.300 11.626 ( 3.370 1.490 2.046) 4.215 11.668 ( 0.431 -1.828 2.625) 3.227 11.712 ( -0.722 3.616 -0.192) 3.692 11.759 ( -1.082 -0.831 1.334) 1.908 11.829 ( -1.778 -1.078 -3.004) 3.653 11.872 ( -3.846 -2.967 -0.703) 4.908 12.021 ( -2.058 1.336 -1.501) 2.877 12.058 ( -2.083 -2.541 -0.984) 3.430 12.092 ( -0.560 3.481 -2.607) 4.385 12.142 ( -0.422 -0.339 -2.228) 2.293 12.213 ( -0.587 1.518 -0.057) 1.628 12.265 ( -0.484 -3.699 -0.677) 3.791 12.322 ( -5.411 -0.458 -0.012) 5.430 12.352 ( -6.000 -2.587 0.579) 6.560 12.618 ( -1.020 1.286 4.347) 4.646 12.665 ( -1.641 -3.249 6.601) 7.538 12.816 ( 1.316 3.545 -3.632) 5.243 12.896 ( 2.048 -4.552 -4.745) 6.887 13.848 ( 3.233 -0.796 -0.190) 3.335 13.868 ( 2.359 -2.613 -0.212) 3.527 15.325 ( 1.664 -0.123 -0.081) 1.670 15.325 ( 1.547 -0.187 0.091) 1.561 ======================= Grid point 50 (28/42) ======================= q-point: (-0.50 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.911 ( -6.816 -1.948 2.534) 7.528 0.965 ( 5.447 -6.170 3.167) 8.819 1.097 ( -5.369 1.736 10.486) 11.907 1.147 ( -3.602 -2.026 8.313) 9.283 1.348 ( 2.528 1.160 0.779) 2.889 1.403 ( 2.402 -1.282 2.469) 3.675 1.455 ( -0.147 5.742 -3.610) 6.785 1.528 ( 1.455 0.173 -5.296) 5.495 1.570 ( -0.345 -3.210 -3.838) 5.015 1.593 ( 3.658 -6.346 1.046) 7.399 1.617 ( -1.320 -2.620 -3.525) 4.586 1.685 ( 0.761 -8.227 -2.455) 8.619 1.774 ( -1.510 1.285 0.505) 2.046 1.796 ( -1.056 -3.471 1.900) 4.096 1.868 ( -0.072 -0.874 2.004) 2.188 1.924 ( -0.135 -4.553 -2.166) 5.044 2.041 ( 4.176 7.534 -0.718) 8.644 2.145 ( -1.275 4.759 0.389) 4.942 2.180 ( -2.298 -1.311 0.286) 2.662 2.226 ( -1.270 0.618 1.233) 1.875 2.322 ( -1.576 2.093 3.201) 4.136 2.380 ( -1.233 -2.152 0.560) 2.542 2.469 ( 1.040 2.205 -1.805) 3.034 2.482 ( 0.818 1.024 -2.042) 2.426 2.742 ( -0.753 3.101 -0.567) 3.241 2.809 ( 0.715 -2.260 -0.833) 2.512 2.927 ( 1.956 4.945 -5.806) 7.873 2.992 ( 1.231 0.121 -1.809) 2.192 3.026 ( 1.137 8.464 1.838) 8.736 3.149 ( -0.408 11.744 3.122) 12.158 3.199 ( 2.795 -6.079 5.962) 8.962 3.222 ( -0.155 9.950 -1.626) 10.084 3.321 ( -5.006 2.088 0.928) 5.503 3.351 ( -1.071 -1.627 5.642) 5.968 3.458 ( 1.820 7.672 -1.550) 8.036 3.476 ( 1.761 4.554 -4.413) 6.581 3.563 ( -2.620 6.946 0.532) 7.443 3.634 ( -0.288 0.392 -0.006) 0.487 3.646 ( 1.382 -4.217 -2.167) 4.939 3.725 ( 3.897 -5.099 0.975) 6.491 3.813 ( -0.440 -3.305 -2.483) 4.157 3.893 ( 0.627 0.320 -0.827) 1.086 3.904 ( -4.989 2.077 2.494) 5.952 4.024 ( -1.288 -6.496 -2.570) 7.104 4.044 ( -0.172 -10.314 -1.138) 10.378 4.070 ( 3.338 2.218 -0.187) 4.012 4.146 ( -5.531 -4.919 4.475) 8.649 4.187 ( 1.552 -5.288 0.163) 5.513 4.304 ( -0.729 -0.953 -0.971) 1.543 4.352 ( 1.495 -2.067 -2.578) 3.626 4.383 ( -0.113 -6.046 6.514) 8.888 4.524 ( -0.622 -10.062 0.102) 10.082 4.594 ( 3.069 -0.853 -2.160) 3.849 4.639 ( 2.664 -4.721 -0.139) 5.423 4.744 ( -2.641 2.650 -3.491) 5.117 4.820 ( -3.222 0.306 -5.248) 6.166 4.867 ( 0.832 -2.290 0.645) 2.521 4.914 ( 5.142 -2.633 0.241) 5.782 4.989 ( 0.010 1.477 4.615) 4.845 5.083 ( 1.121 -7.214 2.486) 7.712 5.443 ( 3.980 2.518 -6.079) 7.690 5.478 ( 4.858 1.507 -4.434) 6.748 5.562 ( -8.318 4.501 -3.361) 10.037 5.634 ( -3.707 -0.451 -3.381) 5.037 5.706 ( 3.287 4.666 2.545) 6.249 5.773 ( 2.040 -2.773 2.037) 4.000 5.874 ( -2.902 1.745 -2.311) 4.099 5.908 ( -3.109 -1.115 -2.865) 4.373 5.964 ( -1.043 3.026 4.740) 5.720 6.000 ( -1.210 -0.707 4.697) 4.901 6.136 ( -1.650 6.183 7.628) 9.957 6.232 ( -2.436 -3.891 7.689) 8.955 6.361 ( 1.993 5.273 -1.202) 5.764 6.427 ( 1.525 -1.377 -2.084) 2.927 6.583 ( 1.800 0.232 -4.340) 4.704 6.608 ( 0.910 -2.402 -2.389) 3.508 6.814 ( 0.580 3.280 -1.260) 3.561 6.861 ( -0.136 -1.178 -2.835) 3.073 7.276 ( 0.292 1.449 0.641) 1.611 7.316 ( 0.171 -2.360 -1.044) 2.587 7.405 ( 0.967 3.472 1.365) 3.854 7.471 ( 0.926 -2.306 -0.755) 2.597 7.558 ( -0.195 0.971 -0.560) 1.138 7.595 ( -1.331 -2.116 -1.887) 3.132 7.767 ( 2.054 1.264 -1.258) 2.720 7.789 ( 2.117 -0.881 -2.071) 3.089 7.921 ( -0.522 0.548 2.601) 2.709 7.936 ( -1.150 -0.798 2.785) 3.117 7.975 ( -1.245 1.925 0.948) 2.480 8.019 ( -0.756 -2.096 0.510) 2.285 8.021 ( -1.753 0.778 0.400) 1.959 8.038 ( -0.808 -0.809 0.389) 1.208 8.362 ( 2.606 0.776 1.661) 3.186 8.379 ( -0.703 -1.098 1.368) 1.889 8.449 ( -2.051 2.191 -0.227) 3.009 8.453 ( 0.230 2.001 -0.642) 2.114 8.579 ( -0.033 0.717 1.553) 1.711 8.586 ( 0.008 0.081 2.021) 2.023 8.689 ( 0.005 1.663 -2.493) 2.997 8.695 ( 1.454 0.765 -2.360) 2.875 8.829 ( 0.628 3.064 1.765) 3.592 8.857 ( -0.456 0.519 0.365) 0.781 8.938 ( 1.309 1.991 -3.043) 3.865 8.958 ( -0.729 1.300 -2.457) 2.874 9.027 ( 1.132 -2.107 -0.319) 2.413 9.041 ( -0.257 -2.396 -0.800) 2.539 9.113 ( -0.235 0.803 0.384) 0.920 9.129 ( -0.334 -0.410 -0.457) 0.699 9.199 ( -0.258 0.145 0.327) 0.441 9.210 ( -4.688 -0.504 0.462) 4.738 9.227 ( 3.269 2.116 1.122) 4.052 9.274 ( 2.919 -1.593 0.701) 3.398 9.287 ( -0.652 2.820 0.917) 3.036 9.326 ( 0.531 -0.739 1.167) 1.480 9.359 ( -0.671 1.825 0.168) 1.951 9.386 ( -1.470 -0.970 1.246) 2.157 9.441 ( -1.845 1.715 0.797) 2.642 9.478 ( 1.370 -0.965 0.099) 1.678 9.513 ( -2.846 -2.486 -1.082) 3.930 9.522 ( 3.142 -4.993 -0.597) 5.930 9.880 ( -1.374 0.587 0.956) 1.774 9.886 ( 0.484 0.587 1.365) 1.563 9.940 ( -0.327 4.147 -1.296) 4.357 9.984 ( 0.142 0.844 -3.274) 3.384 10.051 ( 0.772 -2.621 -0.283) 2.747 10.061 ( 0.529 -3.125 -0.145) 3.173 10.257 ( 0.643 1.381 -0.419) 1.580 10.272 ( -0.296 0.035 -0.867) 0.917 10.484 ( -0.295 2.570 2.243) 3.424 10.515 ( -0.027 -0.120 2.016) 2.020 10.582 ( 0.289 4.686 1.013) 4.803 10.648 ( 0.225 -0.332 -0.241) 0.468 10.684 ( -0.557 1.107 -0.181) 1.252 10.728 ( 1.348 -2.633 -0.575) 3.013 10.741 ( 2.782 1.963 -3.638) 4.982 10.792 ( 0.298 -2.538 -3.407) 4.259 11.077 ( -5.835 4.234 5.968) 9.359 11.141 ( -4.394 -1.927 6.780) 8.306 11.246 ( 1.724 2.868 -0.586) 3.397 11.253 ( -0.329 2.364 0.506) 2.439 11.338 ( 0.681 -1.898 1.057) 2.277 11.376 ( 0.232 -4.149 0.278) 4.165 11.422 ( 4.179 4.710 -0.197) 6.300 11.449 ( 4.549 -0.939 -2.773) 5.410 11.463 ( 1.257 2.124 -3.379) 4.184 11.508 ( -2.465 0.599 -0.132) 2.540 11.634 ( -1.290 6.108 4.340) 7.604 11.686 ( -0.347 2.732 4.965) 5.677 11.728 ( 0.749 -0.886 0.294) 1.197 11.738 ( -2.163 -3.382 0.564) 4.054 11.787 ( 0.930 -0.320 0.585) 1.144 11.848 ( 3.293 -6.225 1.230) 7.149 11.984 ( -2.031 2.926 -2.493) 4.347 12.041 ( -0.197 -2.943 -2.861) 4.109 12.067 ( -0.106 4.204 -4.584) 6.221 12.122 ( -0.584 -0.042 -3.833) 3.877 12.216 ( 1.043 0.350 0.601) 1.254 12.248 ( -0.777 -3.659 -1.569) 4.057 12.269 ( 0.361 -2.117 0.674) 2.251 12.280 ( -1.586 -2.338 0.650) 2.899 12.610 ( -0.836 1.313 4.783) 5.030 12.649 ( -1.384 -2.525 6.059) 6.708 12.826 ( 0.650 4.471 -3.773) 5.886 12.919 ( 1.094 -4.843 -4.946) 7.008 13.883 ( -0.057 -1.457 -0.049) 1.459 13.886 ( -0.278 -1.848 -0.156) 1.875 15.342 ( -0.074 -0.074 0.053) 0.117 15.345 ( 0.123 -0.336 -0.056) 0.363 ======================= Grid point 51 (29/42) ======================= q-point: (-0.33 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.775 ( -6.693 8.670 3.840) 11.606 0.977 ( -7.350 1.858 10.924) 13.297 1.062 ( 0.059 -12.226 3.384) 12.685 1.107 ( -0.200 -5.628 7.815) 9.633 1.381 ( -4.782 6.881 -5.250) 9.888 1.416 ( 3.020 -0.886 1.297) 3.404 1.459 ( 0.642 -1.722 0.031) 1.838 1.494 ( -3.879 0.659 0.118) 3.936 1.517 ( -1.341 -1.617 -4.481) 4.949 1.595 ( -0.831 -3.519 -1.842) 4.058 1.624 ( -1.483 0.260 -2.095) 2.580 1.684 ( -2.473 -3.260 -1.037) 4.221 1.727 ( -0.566 -0.173 -2.543) 2.611 1.773 ( -1.133 -4.510 -0.201) 4.655 1.860 ( -0.880 -2.955 1.004) 3.242 1.901 ( -1.511 -3.778 -2.544) 4.798 2.052 ( -4.455 5.435 0.585) 7.052 2.074 ( -3.310 4.853 3.345) 6.760 2.151 ( 0.156 2.322 2.162) 3.176 2.175 ( -2.560 -1.956 -1.191) 3.435 2.252 ( -5.872 -1.858 4.204) 7.457 2.331 ( -2.932 -5.378 -0.132) 6.126 2.507 ( 1.369 4.152 -3.155) 5.391 2.522 ( 3.041 2.399 -1.318) 4.092 2.722 ( -1.745 5.291 0.953) 5.652 2.812 ( -0.754 -3.051 -1.617) 3.534 2.961 ( 3.232 3.806 -5.957) 7.773 2.996 ( -4.301 6.970 5.096) 9.647 3.030 ( 1.751 -0.184 -2.102) 2.742 3.073 ( -4.842 5.734 3.550) 8.302 3.195 ( -2.347 3.353 2.279) 4.685 3.275 ( 2.043 7.075 0.227) 7.367 3.287 ( 0.011 2.854 1.345) 3.155 3.307 ( -2.605 -1.409 2.902) 4.147 3.433 ( -1.706 11.680 -3.456) 12.300 3.481 ( -0.749 6.579 -1.684) 6.832 3.565 ( -0.039 2.423 -1.423) 2.810 3.626 ( 0.739 2.454 1.325) 2.885 3.679 ( 1.587 -3.160 -2.493) 4.327 3.761 ( -0.639 -9.166 -2.511) 9.525 3.789 ( -3.242 -5.183 3.385) 6.988 3.834 ( 1.535 8.282 3.960) 9.308 3.931 ( 3.832 -4.383 -2.465) 6.322 3.992 ( -3.098 -12.570 -1.138) 12.996 4.034 ( 1.635 -3.513 -4.217) 5.727 4.082 ( 1.499 -3.715 1.703) 4.353 4.165 ( 1.296 -4.675 0.699) 4.901 4.231 ( 1.970 -4.325 1.149) 4.889 4.289 ( 0.362 3.570 -1.236) 3.796 4.358 ( -1.746 -9.178 5.150) 10.668 4.414 ( 2.065 1.081 2.181) 3.192 4.532 ( 1.922 -11.272 -3.271) 11.893 4.631 ( 0.617 0.576 -0.129) 0.854 4.657 ( -2.818 0.774 -1.463) 3.268 4.718 ( 2.796 -1.758 -0.105) 3.304 4.754 ( -0.173 -4.966 -4.081) 6.430 4.936 ( 2.736 3.791 -0.480) 4.700 4.957 ( -1.391 -0.337 -0.235) 1.451 4.972 ( -3.856 -0.404 5.890) 7.051 5.106 ( 1.764 -8.459 -2.571) 9.016 5.322 ( -8.517 5.232 -6.991) 12.198 5.396 ( -8.053 -1.170 -5.385) 9.758 5.507 ( -1.001 3.452 -1.334) 3.834 5.583 ( -1.399 -2.714 -1.654) 3.472 5.729 ( -2.854 6.597 0.830) 7.236 5.788 ( -0.815 2.792 1.988) 3.523 5.823 ( 0.237 0.597 3.692) 3.748 5.846 ( -1.933 -0.195 -0.715) 2.070 6.021 ( 4.302 -0.472 2.134) 4.825 6.024 ( 2.786 -0.866 2.900) 4.114 6.142 ( 0.100 3.740 7.463) 8.349 6.213 ( -0.608 -3.624 6.237) 7.239 6.428 ( 4.115 3.769 -1.550) 5.792 6.482 ( 3.349 -1.492 -2.435) 4.402 6.644 ( 4.188 2.448 -4.613) 6.694 6.682 ( 5.422 -1.170 -2.996) 6.304 6.834 ( 0.946 1.567 -0.974) 2.073 6.856 ( 1.373 -0.699 -1.152) 1.924 7.261 ( -1.529 1.789 0.230) 2.365 7.303 ( -1.459 -2.256 -1.033) 2.879 7.443 ( 1.652 2.503 1.080) 3.188 7.474 ( 0.291 -0.069 -1.317) 1.351 7.549 ( -0.786 -0.102 -0.093) 0.798 7.577 ( 1.230 -2.490 -0.267) 2.791 7.806 ( 1.077 0.996 -1.120) 1.845 7.827 ( 0.987 -0.974 -1.776) 2.253 7.880 ( -2.952 0.606 2.128) 3.690 7.890 ( -1.158 -0.331 1.299) 1.771 7.978 ( 2.006 0.437 -0.257) 2.069 7.992 ( 0.496 -0.895 -0.125) 1.031 8.057 ( 2.101 0.486 1.392) 2.567 8.070 ( 1.525 -1.143 0.584) 1.993 8.304 ( -3.262 1.187 -0.184) 3.476 8.329 ( -2.914 -1.468 0.323) 3.279 8.502 ( 3.535 3.859 1.781) 5.529 8.528 ( 3.102 1.046 1.215) 3.491 8.577 ( -0.653 1.191 0.882) 1.620 8.600 ( 0.596 -1.032 0.409) 1.260 8.683 ( 0.075 2.816 0.052) 2.817 8.717 ( 1.617 -0.324 -1.227) 2.056 8.835 ( -0.848 1.600 1.429) 2.307 8.853 ( -0.403 0.454 -0.246) 0.655 8.936 ( -0.100 4.435 -2.006) 4.868 8.973 ( -0.462 2.777 -0.460) 2.853 9.007 ( 0.464 -2.760 -1.781) 3.317 9.034 ( -2.146 -2.460 -2.066) 3.863 9.075 ( -1.721 0.776 -0.150) 1.894 9.092 ( -4.842 0.277 -0.178) 4.853 9.151 ( 2.032 0.494 0.407) 2.130 9.184 ( 0.934 -2.355 0.498) 2.582 9.223 ( -4.656 0.987 -0.374) 4.774 9.262 ( -4.046 -2.524 -0.295) 4.778 9.327 ( 0.331 2.282 1.531) 2.768 9.336 ( 3.819 2.902 2.293) 5.316 9.381 ( 5.483 -1.894 0.689) 5.841 9.400 ( 4.568 0.602 -0.348) 4.620 9.445 ( 2.694 0.386 0.154) 2.726 9.495 ( 3.017 -2.352 -1.283) 4.034 9.651 ( 6.839 -0.612 0.192) 6.869 9.669 ( 7.046 -1.979 0.712) 7.353 9.862 ( 0.058 1.876 1.612) 2.474 9.906 ( 0.819 1.141 1.099) 1.784 9.916 ( -0.897 0.830 -0.266) 1.251 9.960 ( -1.851 -0.178 -1.825) 2.605 10.059 ( -0.371 -1.874 -0.615) 2.007 10.077 ( 2.633 -3.230 -1.280) 4.359 10.283 ( 2.743 1.475 -1.107) 3.305 10.303 ( 3.154 -0.587 -0.551) 3.255 10.479 ( -0.347 2.454 1.246) 2.773 10.512 ( -0.170 -0.602 1.483) 1.609 10.585 ( -0.426 4.969 1.501) 5.208 10.630 ( -2.069 1.870 -1.812) 3.326 10.683 ( 0.168 -0.029 -0.415) 0.448 10.739 ( -0.316 -3.515 -0.248) 3.538 10.800 ( 3.105 0.809 -2.317) 3.958 10.817 ( 2.536 0.111 -1.277) 2.842 10.973 ( -4.615 2.851 2.020) 5.788 11.051 ( -5.894 -4.784 3.320) 8.285 11.216 ( -3.584 2.025 0.236) 4.123 11.226 ( -3.329 2.072 1.832) 4.328 11.347 ( -0.013 0.014 -0.388) 0.388 11.364 ( -3.306 0.053 -0.198) 3.312 11.420 ( -1.957 4.074 1.252) 4.689 11.451 ( -0.099 -0.899 2.596) 2.749 11.496 ( -0.017 -0.677 -0.886) 1.115 11.522 ( 1.163 -1.528 -1.746) 2.596 11.618 ( -1.346 2.404 1.665) 3.219 11.642 ( -1.357 -0.740 0.143) 1.552 11.744 ( 1.635 2.792 5.398) 6.293 11.777 ( 1.494 0.227 2.399) 2.836 11.840 ( 1.331 0.152 -3.838) 4.065 11.891 ( -1.953 -4.112 -2.674) 5.280 11.982 ( 4.931 4.337 -0.860) 6.623 12.057 ( 3.836 -2.644 -2.286) 5.190 12.095 ( 4.421 2.528 -1.555) 5.325 12.126 ( 1.816 -0.303 -2.237) 2.897 12.227 ( -0.145 -2.085 -2.236) 3.061 12.259 ( 2.057 -4.114 2.202) 5.099 12.283 ( 2.367 1.931 -0.045) 3.055 12.329 ( 5.132 -2.229 -0.161) 5.597 12.608 ( -0.576 1.544 5.023) 5.286 12.638 ( -1.208 -1.767 4.670) 5.137 12.823 ( -0.004 3.915 -3.167) 5.035 12.915 ( -0.164 -5.216 -3.971) 6.558 13.842 ( -3.472 -0.745 -0.187) 3.555 13.861 ( -2.635 -2.556 -0.211) 3.677 15.323 ( -1.596 0.102 -0.004) 1.599 15.329 ( -1.552 -0.437 0.011) 1.613 ======================= Grid point 52 (30/42) ======================= q-point: (-0.17 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.693 ( -1.691 16.685 5.341) 17.600 0.879 ( -5.129 8.861 15.698) 18.742 1.031 ( -2.966 -10.361 3.975) 11.487 1.121 ( -1.381 -14.561 6.642) 16.064 1.263 ( -4.898 6.716 -3.143) 8.886 1.364 ( -2.390 -3.968 -5.054) 6.856 1.443 ( -4.574 8.336 -3.872) 10.266 1.469 ( 0.238 -1.658 -3.102) 3.525 1.496 ( -0.859 -3.153 0.369) 3.288 1.564 ( 3.412 3.309 -2.253) 5.260 1.589 ( -3.791 -3.954 -5.843) 8.009 1.638 ( -0.644 -3.410 -1.030) 3.620 1.723 ( 0.770 0.300 0.200) 0.851 1.750 ( -1.349 -0.964 -0.812) 1.846 1.822 ( -3.019 -4.569 -0.213) 5.481 1.871 ( -0.258 -6.372 -1.154) 6.481 1.966 ( -3.801 4.614 0.408) 5.992 2.022 ( -1.621 0.968 4.765) 5.126 2.101 ( -4.539 1.504 -2.687) 5.485 2.159 ( -2.530 -5.304 3.263) 6.722 2.178 ( -0.005 2.505 4.355) 5.024 2.275 ( -2.412 -4.653 1.154) 5.366 2.506 ( -0.377 5.212 -3.478) 6.277 2.559 ( 1.098 0.315 -1.218) 1.670 2.661 ( -4.078 6.648 2.558) 8.208 2.759 ( -3.272 -2.057 -1.192) 4.044 2.948 ( -1.073 2.179 3.725) 4.447 2.980 ( -0.871 0.503 -0.474) 1.112 3.039 ( 0.064 3.971 2.267) 4.573 3.053 ( 1.948 0.053 -1.676) 2.571 3.170 ( -1.926 4.876 1.873) 5.567 3.236 ( -1.301 -1.262 1.869) 2.603 3.288 ( 0.684 7.367 -3.305) 8.103 3.349 ( 2.399 8.891 0.429) 9.219 3.376 ( -2.695 12.411 -3.271) 13.115 3.434 ( -4.612 10.202 0.458) 11.205 3.542 ( 2.062 0.008 -0.040) 2.062 3.643 ( -0.778 -6.380 -3.324) 7.236 3.685 ( -0.133 -2.727 2.228) 3.524 3.760 ( 1.501 -1.957 -4.033) 4.728 3.798 ( 1.499 -5.155 -1.270) 5.516 3.885 ( -0.472 1.800 0.774) 2.015 3.932 ( 2.055 -4.955 1.667) 5.617 4.012 ( -0.051 -4.553 2.518) 5.203 4.052 ( 2.368 -5.727 -0.625) 6.229 4.138 ( 3.212 -8.145 0.852) 8.796 4.198 ( 2.679 0.617 -2.372) 3.630 4.255 ( -0.690 -0.785 3.559) 3.709 4.293 ( 0.584 -0.068 -0.001) 0.588 4.356 ( 1.137 -10.402 1.061) 10.517 4.452 ( 0.752 2.988 -0.894) 3.208 4.536 ( -1.713 -4.079 -2.847) 5.261 4.592 ( -1.240 2.558 0.694) 2.926 4.627 ( -1.911 1.955 -2.866) 3.961 4.729 ( -3.231 -7.441 -2.098) 8.379 4.771 ( -1.643 -9.199 -2.312) 9.626 4.857 ( -2.039 1.306 2.059) 3.178 4.916 ( 0.917 -3.923 4.996) 6.418 5.011 ( 2.368 4.902 -2.191) 5.868 5.102 ( -1.859 -4.225 -0.723) 4.672 5.196 ( -2.055 3.471 -5.555) 6.865 5.257 ( -3.204 -2.771 -6.221) 7.526 5.449 ( -3.767 3.093 -1.061) 4.988 5.529 ( -2.448 -3.953 -2.934) 5.498 5.702 ( 0.325 7.693 -0.342) 7.707 5.772 ( -1.698 5.241 7.841) 9.583 5.808 ( -0.003 -0.934 -4.316) 4.416 5.863 ( 0.296 -1.696 8.447) 8.621 6.073 ( 0.177 2.596 1.991) 3.277 6.099 ( 2.572 -0.542 2.262) 3.468 6.167 ( 0.967 3.915 7.131) 8.192 6.268 ( 3.208 -6.807 5.188) 9.140 6.496 ( 2.911 2.099 -2.080) 4.148 6.525 ( 1.557 -0.735 -3.245) 3.674 6.695 ( 2.097 2.894 -5.058) 6.193 6.748 ( 1.378 -2.303 -4.806) 5.505 6.861 ( 2.277 3.296 0.848) 4.095 6.904 ( 1.943 -1.056 0.769) 2.341 7.226 ( -1.703 1.819 -0.022) 2.492 7.256 ( -2.307 -1.087 -1.128) 2.789 7.448 ( 0.015 0.781 -0.861) 1.162 7.477 ( -0.615 -1.811 -1.114) 2.213 7.583 ( 3.586 2.414 1.463) 4.564 7.629 ( 2.845 -2.218 1.372) 3.860 7.797 ( -0.654 1.385 0.773) 1.716 7.825 ( 0.122 -1.156 -0.073) 1.165 7.866 ( 0.343 1.215 -0.858) 1.527 7.894 ( 0.149 -1.588 -1.282) 2.046 8.000 ( 0.915 0.332 0.183) 0.990 8.025 ( 0.883 -1.923 0.384) 2.151 8.098 ( 2.003 0.161 0.078) 2.011 8.107 ( 2.104 -0.831 -1.345) 2.632 8.264 ( -1.092 1.185 0.372) 1.654 8.281 ( -1.727 -0.688 -0.309) 1.885 8.518 ( -1.615 1.317 1.335) 2.474 8.542 ( -1.995 -1.070 1.098) 2.516 8.589 ( 1.371 3.242 0.709) 3.590 8.616 ( 1.443 0.672 -0.997) 1.878 8.694 ( 0.377 3.332 2.975) 4.482 8.754 ( 0.972 -2.139 1.792) 2.955 8.810 ( -0.719 2.522 -0.332) 2.643 8.840 ( -0.755 -0.032 0.675) 1.013 8.901 ( -3.079 2.388 -0.257) 3.905 8.923 ( -2.539 0.422 -0.004) 2.574 8.973 ( -1.935 3.683 0.055) 4.161 9.020 ( -0.459 3.360 -1.406) 3.671 9.045 ( 0.718 -2.777 -1.278) 3.140 9.094 ( 2.050 -0.655 -4.138) 4.664 9.132 ( -1.504 -1.927 -0.298) 2.462 9.160 ( -1.205 -2.766 -0.080) 3.018 9.252 ( 3.480 0.829 0.862) 3.679 9.270 ( 3.221 -0.986 0.175) 3.373 9.347 ( 1.151 4.183 -0.137) 4.340 9.399 ( 1.578 -0.294 0.708) 1.754 9.477 ( 2.273 3.272 0.618) 4.032 9.511 ( 5.214 -0.691 -1.284) 5.414 9.523 ( 4.591 -0.435 -0.089) 4.613 9.540 ( 3.040 -2.629 -0.447) 4.044 9.714 ( -0.539 -0.406 0.441) 0.806 9.725 ( -1.104 -2.160 1.066) 2.650 9.857 ( -1.325 4.126 -0.590) 4.374 9.903 ( -0.175 -0.127 1.133) 1.153 9.926 ( 0.485 0.928 -0.478) 1.151 9.984 ( 3.005 -3.947 1.281) 5.123 10.070 ( 2.903 2.566 0.628) 3.925 10.161 ( 4.651 -5.846 -0.250) 7.474 10.362 ( 4.695 0.939 -1.221) 4.941 10.378 ( 3.687 -0.705 -1.022) 3.890 10.474 ( -0.468 2.669 -0.398) 2.738 10.513 ( -0.669 -1.071 -0.604) 1.400 10.553 ( -2.930 3.206 0.650) 4.392 10.583 ( -1.593 -0.494 0.255) 1.687 10.708 ( 3.141 0.961 -0.408) 3.310 10.758 ( 3.291 -3.069 0.345) 4.513 10.807 ( -1.628 2.534 1.837) 3.528 10.853 ( -0.849 -0.900 1.425) 1.887 10.915 ( -1.837 -0.855 -1.246) 2.378 10.928 ( -3.844 -1.352 -2.836) 4.965 11.109 ( -6.731 2.990 0.788) 7.407 11.159 ( -4.850 -1.206 2.106) 5.423 11.266 ( -3.627 3.862 0.689) 5.343 11.326 ( -2.231 -1.870 -0.347) 2.932 11.402 ( 0.617 3.812 -0.788) 3.941 11.459 ( -2.688 0.518 1.200) 2.989 11.483 ( 1.548 -1.971 1.615) 2.982 11.507 ( -2.036 -1.760 5.063) 5.734 11.600 ( -1.424 0.880 -1.418) 2.194 11.621 ( -0.866 -0.908 -1.987) 2.350 11.778 ( -0.260 2.442 -3.477) 4.257 11.801 ( 2.066 2.615 4.500) 5.599 11.823 ( -0.300 -1.050 -3.015) 3.207 11.869 ( 0.044 -3.870 2.189) 4.446 12.057 ( 2.745 2.700 -3.665) 5.315 12.094 ( 0.826 -1.174 -3.327) 3.623 12.174 ( 1.642 2.767 1.387) 3.504 12.209 ( 2.384 2.960 1.652) 4.144 12.240 ( 2.278 -3.314 -3.524) 5.347 12.290 ( 1.208 -2.811 -0.157) 3.064 12.408 ( 8.665 2.531 1.855) 9.216 12.484 ( 9.356 -3.215 -2.513) 10.207 12.621 ( -1.250 0.208 3.080) 3.331 12.629 ( 1.734 -0.405 5.613) 5.889 12.810 ( -0.538 2.772 -1.917) 3.413 12.898 ( -0.733 -6.044 -2.403) 6.545 13.755 ( -4.414 0.291 -0.132) 4.426 13.784 ( -4.155 -2.463 -0.354) 4.843 15.288 ( -1.509 0.124 -0.007) 1.514 15.292 ( -1.667 -0.278 0.028) 1.690 ======================= Grid point 65 (31/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -1.550 0.000 -7.035) 7.204 0.731 ( 1.550 0.000 7.035) 7.204 0.778 ( 1.718 0.000 -3.419) 3.826 0.778 ( -1.718 0.000 3.419) 3.826 1.406 ( 1.932 0.000 -8.398) 8.618 1.406 ( -1.932 0.000 8.398) 8.618 1.493 ( 0.965 0.000 -18.270) 18.296 1.493 ( -0.965 0.000 18.270) 18.296 1.542 ( 1.361 0.000 -4.563) 4.761 1.542 ( -1.361 0.000 4.563) 4.761 1.723 ( 3.422 0.000 -2.260) 4.101 1.723 ( -3.422 0.000 2.260) 4.101 1.868 ( -1.566 0.000 -5.007) 5.246 1.868 ( 1.566 0.000 5.007) 5.246 1.923 ( 1.460 0.000 -5.670) 5.855 1.923 ( -1.460 0.000 5.670) 5.855 2.055 ( -0.282 0.000 -0.365) 0.462 2.055 ( 0.282 0.000 0.365) 0.462 2.124 ( -4.484 0.000 0.276) 4.492 2.124 ( 4.484 0.000 -0.276) 4.492 2.278 ( -1.225 0.000 -4.855) 5.007 2.278 ( 1.225 0.000 4.855) 5.007 2.323 ( 4.639 0.000 -5.121) 6.910 2.323 ( -4.639 0.000 5.121) 6.910 2.537 ( 0.549 0.000 -2.910) 2.961 2.537 ( -0.549 0.000 2.910) 2.961 2.684 ( -0.651 0.000 -3.589) 3.648 2.684 ( 0.651 0.000 3.589) 3.648 2.959 ( 0.850 0.000 -0.715) 1.111 2.959 ( -0.850 0.000 0.715) 1.111 2.988 ( 3.460 0.000 -5.087) 6.153 2.988 ( -3.460 0.000 5.087) 6.153 3.290 ( -2.681 0.000 0.714) 2.775 3.290 ( 2.681 0.000 -0.714) 2.775 3.346 ( 2.962 0.000 -7.264) 7.844 3.346 ( -2.962 0.000 7.264) 7.844 3.507 ( -2.156 0.000 0.151) 2.161 3.507 ( 2.156 0.000 -0.151) 2.161 3.750 ( -4.541 0.000 -0.613) 4.582 3.750 ( 4.541 0.000 0.613) 4.582 3.805 ( -0.690 0.000 -1.990) 2.106 3.805 ( 0.690 0.000 1.990) 2.106 4.076 ( 1.681 0.000 -11.051) 11.178 4.076 ( -1.681 0.000 11.051) 11.178 4.187 ( -0.583 0.000 -0.103) 0.592 4.187 ( 0.583 0.000 0.103) 0.592 4.368 ( 0.285 0.000 -1.549) 1.575 4.368 ( -0.285 0.000 1.549) 1.575 4.424 ( 8.426 0.000 -4.038) 9.343 4.424 ( -8.426 0.000 4.038) 9.343 4.567 ( -2.473 0.000 -0.619) 2.549 4.567 ( 2.473 0.000 0.619) 2.549 4.632 ( -3.646 0.000 -0.053) 3.646 4.632 ( 3.646 0.000 0.053) 3.646 4.917 ( -0.358 0.000 -1.419) 1.464 4.917 ( 0.358 0.000 1.419) 1.464 5.051 ( 0.416 0.000 -10.765) 10.773 5.051 ( -0.416 0.000 10.765) 10.773 5.205 ( 1.168 0.000 -2.305) 2.584 5.205 ( -1.168 0.000 2.305) 2.584 5.276 ( -4.430 0.000 -0.385) 4.446 5.276 ( 4.430 0.000 0.385) 4.446 5.343 ( 1.020 0.000 -7.403) 7.473 5.343 ( -1.020 0.000 7.403) 7.473 5.644 ( -0.539 0.000 -12.461) 12.473 5.644 ( 0.539 0.000 12.461) 12.473 5.716 ( 4.048 0.000 -13.730) 14.314 5.716 ( -4.048 0.000 13.730) 14.314 6.038 ( 1.779 0.000 -5.832) 6.098 6.038 ( -1.779 0.000 5.832) 6.098 6.333 ( 0.820 0.000 -13.303) 13.328 6.333 ( -0.820 0.000 13.303) 13.328 6.467 ( 2.305 0.000 -3.368) 4.081 6.467 ( -2.305 0.000 3.368) 4.081 6.724 ( -0.160 0.000 -3.699) 3.702 6.724 ( 0.160 0.000 3.699) 3.702 6.865 ( -2.101 0.000 -1.653) 2.673 6.865 ( 2.101 0.000 1.653) 2.673 7.167 ( 1.213 0.000 -2.521) 2.798 7.167 ( -1.213 0.000 2.521) 2.798 7.467 ( 0.340 0.000 -1.553) 1.590 7.467 ( -0.340 0.000 1.553) 1.590 7.636 ( -1.428 0.000 -3.488) 3.769 7.636 ( 1.428 0.000 3.488) 3.769 7.835 ( 2.310 0.000 -2.851) 3.670 7.835 ( -2.310 0.000 2.851) 3.670 7.875 ( -1.516 0.000 -2.813) 3.195 7.875 ( 1.516 0.000 2.813) 3.195 8.087 ( -0.126 0.000 -0.406) 0.426 8.087 ( 0.126 0.000 0.406) 0.426 8.163 ( 0.268 0.000 -0.593) 0.650 8.163 ( -0.268 0.000 0.593) 0.650 8.250 ( 0.826 0.000 -1.542) 1.749 8.250 ( -0.826 0.000 1.542) 1.749 8.387 ( -0.496 0.000 -0.166) 0.523 8.387 ( 0.496 0.000 0.166) 0.523 8.581 ( -0.765 0.000 -1.255) 1.470 8.581 ( 0.765 0.000 1.255) 1.470 8.655 ( -0.014 0.000 -0.579) 0.579 8.655 ( 0.014 0.000 0.579) 0.579 8.742 ( -0.547 0.000 -1.230) 1.346 8.742 ( 0.547 0.000 1.230) 1.346 8.832 ( 0.076 0.000 -1.058) 1.061 8.832 ( -0.076 0.000 1.058) 1.061 8.901 ( 0.477 0.000 -3.300) 3.334 8.901 ( -0.477 0.000 3.300) 3.334 9.075 ( 2.348 0.000 -1.337) 2.702 9.075 ( -2.348 0.000 1.337) 2.702 9.233 ( -2.746 0.000 0.183) 2.752 9.233 ( 2.746 0.000 -0.183) 2.752 9.283 ( 1.197 0.000 -1.003) 1.561 9.283 ( -1.197 0.000 1.003) 1.561 9.364 ( -1.409 0.000 -2.764) 3.102 9.364 ( 1.409 0.000 2.764) 3.102 9.444 ( -3.564 0.000 0.771) 3.646 9.444 ( 3.564 0.000 -0.771) 3.646 9.562 ( -4.884 0.000 -1.070) 5.000 9.562 ( 4.884 0.000 1.070) 5.000 9.710 ( -0.331 0.000 -0.541) 0.635 9.710 ( 0.331 0.000 0.541) 0.635 9.836 ( -2.220 0.000 -1.908) 2.927 9.836 ( 2.220 0.000 1.908) 2.927 10.145 ( -2.766 0.000 -1.027) 2.951 10.145 ( 2.766 0.000 1.027) 2.951 10.222 ( 3.528 0.000 -1.681) 3.908 10.222 ( -3.528 0.000 1.681) 3.908 10.322 ( -2.737 0.000 0.709) 2.827 10.322 ( 2.737 0.000 -0.709) 2.827 10.437 ( 0.530 0.000 -1.661) 1.743 10.437 ( -0.530 0.000 1.661) 1.743 10.660 ( -1.502 0.000 0.225) 1.519 10.660 ( 1.502 0.000 -0.225) 1.519 10.746 ( -5.132 0.000 -0.824) 5.197 10.746 ( 5.132 0.000 0.824) 5.197 10.861 ( -3.368 0.000 0.142) 3.371 10.861 ( 3.368 0.000 -0.142) 3.371 10.888 ( -5.405 0.000 0.739) 5.456 10.888 ( 5.405 0.000 -0.739) 5.456 11.109 ( -6.926 0.000 1.840) 7.166 11.109 ( 6.926 0.000 -1.840) 7.166 11.166 ( -2.528 0.000 -1.702) 3.048 11.166 ( 2.528 0.000 1.702) 3.048 11.373 ( -3.587 0.000 0.041) 3.587 11.373 ( 3.587 0.000 -0.041) 3.587 11.428 ( -3.208 0.000 0.264) 3.219 11.428 ( 3.208 0.000 -0.264) 3.219 11.646 ( 2.917 0.000 -6.721) 7.327 11.646 ( -2.917 0.000 6.721) 7.327 11.664 ( 1.106 0.000 -0.514) 1.220 11.664 ( -1.106 0.000 0.514) 1.220 11.885 ( 0.900 0.000 -7.585) 7.639 11.885 ( -0.900 0.000 7.585) 7.639 12.017 ( -0.451 0.000 -1.004) 1.101 12.017 ( 0.451 0.000 1.004) 1.101 12.204 ( 0.720 0.000 -0.611) 0.945 12.204 ( -0.720 0.000 0.611) 0.945 12.223 ( 0.100 0.000 -1.913) 1.915 12.223 ( -0.100 0.000 1.913) 1.915 12.583 ( -1.156 0.000 -0.968) 1.508 12.583 ( 1.156 0.000 0.968) 1.508 12.644 ( -1.963 0.000 -2.599) 3.257 12.644 ( 1.963 0.000 2.599) 3.257 13.149 ( -0.518 0.000 -2.835) 2.882 13.149 ( 0.518 0.000 2.835) 2.882 13.720 ( -0.634 0.000 -2.305) 2.390 13.720 ( 0.634 0.000 2.305) 2.390 15.275 ( -0.254 0.000 -0.077) 0.266 15.275 ( 0.254 0.000 0.077) 0.266 ======================= Grid point 67 (32/42) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.771 ( 6.566 0.000 -15.444) 16.782 0.824 ( 14.744 0.000 -14.615) 20.760 0.882 ( 5.961 0.000 13.570) 14.822 0.998 ( 11.119 0.000 16.661) 20.031 1.373 ( -0.875 0.000 -0.730) 1.140 1.405 ( 2.345 0.000 -15.289) 15.468 1.478 ( 2.833 0.000 -18.800) 19.012 1.516 ( -1.292 0.000 11.032) 11.108 1.586 ( 1.466 0.000 6.651) 6.811 1.628 ( 4.441 0.000 0.550) 4.475 1.722 ( 3.439 0.000 8.932) 9.571 1.773 ( -0.389 0.000 -3.679) 3.700 1.862 ( 3.533 0.000 0.527) 3.572 1.911 ( 0.606 0.000 5.903) 5.934 1.916 ( -0.540 0.000 4.874) 4.904 1.936 ( 0.286 0.000 -6.393) 6.400 2.026 ( -0.789 0.000 -1.086) 1.343 2.036 ( -1.829 0.000 -0.728) 1.968 2.050 ( -1.981 0.000 -0.524) 2.049 2.203 ( 3.051 0.000 -2.350) 3.851 2.226 ( -2.494 0.000 -2.136) 3.283 2.303 ( 1.760 0.000 5.111) 5.406 2.316 ( 1.120 0.000 6.435) 6.532 2.431 ( 6.462 0.000 -3.527) 7.362 2.547 ( 0.821 0.000 0.644) 1.044 2.550 ( 1.199 0.000 -2.951) 3.185 2.701 ( 3.122 0.000 -4.680) 5.626 2.726 ( 1.726 0.000 4.219) 4.559 2.907 ( -5.327 0.000 2.690) 5.968 2.994 ( 0.764 0.000 -0.771) 1.086 3.005 ( 5.616 0.000 -0.583) 5.646 3.039 ( 3.825 0.000 -3.067) 4.903 3.229 ( -2.542 0.000 -2.671) 3.687 3.256 ( -6.964 0.000 8.147) 10.717 3.346 ( 2.396 0.000 -2.751) 3.648 3.386 ( 3.126 0.000 -4.383) 5.383 3.461 ( -1.240 0.000 0.744) 1.446 3.517 ( -0.914 0.000 1.180) 1.493 3.722 ( 1.133 0.000 -1.406) 1.806 3.768 ( -2.299 0.000 -1.023) 2.516 3.782 ( -3.034 0.000 2.338) 3.831 3.897 ( 5.355 0.000 4.705) 7.129 4.067 ( -0.269 0.000 9.504) 9.508 4.069 ( 0.368 0.000 -10.509) 10.516 4.165 ( -1.643 0.000 1.904) 2.515 4.188 ( 0.151 0.000 0.054) 0.160 4.296 ( -2.011 0.000 4.978) 5.369 4.396 ( 3.209 0.000 -4.377) 5.427 4.411 ( 1.887 0.000 2.303) 2.977 4.518 ( -0.522 0.000 2.657) 2.708 4.604 ( 0.039 0.000 0.529) 0.531 4.609 ( 7.180 0.000 -1.644) 7.365 4.631 ( 2.904 0.000 3.350) 4.433 4.749 ( 5.557 0.000 2.226) 5.986 4.880 ( -6.201 0.000 1.135) 6.304 4.903 ( -1.295 0.000 -4.132) 4.331 4.996 ( -0.423 0.000 -7.701) 7.712 5.032 ( -0.062 0.000 0.292) 0.298 5.210 ( 0.779 0.000 1.806) 1.967 5.232 ( 3.682 0.000 -4.840) 6.081 5.290 ( 2.572 0.000 -0.139) 2.575 5.345 ( 0.864 0.000 -6.568) 6.625 5.358 ( 0.873 0.000 12.436) 12.467 5.399 ( 5.957 0.000 -4.608) 7.531 5.566 ( -3.443 0.000 -10.381) 10.937 5.646 ( -3.044 0.000 9.810) 10.271 5.691 ( -0.717 0.000 12.603) 12.623 5.751 ( 2.177 0.000 -11.093) 11.305 6.002 ( -2.717 0.000 6.068) 6.648 6.029 ( -0.624 0.000 -6.237) 6.268 6.294 ( -6.094 0.000 12.300) 13.727 6.301 ( -0.013 0.000 -14.125) 14.125 6.430 ( -2.759 0.000 5.402) 6.066 6.485 ( -0.431 0.000 -1.919) 1.967 6.682 ( -2.662 0.000 -3.467) 4.371 6.704 ( -3.184 0.000 5.803) 6.619 6.804 ( -2.922 0.000 -2.546) 3.875 6.884 ( -0.574 0.000 0.183) 0.602 7.178 ( 1.525 0.000 2.874) 3.253 7.212 ( 3.694 0.000 -2.578) 4.505 7.462 ( -1.100 0.000 2.930) 3.129 7.487 ( 2.142 0.000 -0.348) 2.170 7.560 ( -4.920 0.000 -2.775) 5.648 7.652 ( 0.150 0.000 2.082) 2.087 7.791 ( -2.570 0.000 4.693) 5.350 7.805 ( -3.110 0.000 -0.206) 3.117 7.896 ( 2.789 0.000 -3.255) 4.287 7.909 ( 1.215 0.000 -0.078) 1.218 8.064 ( -1.992 0.000 -0.748) 2.128 8.064 ( -1.988 0.000 -1.068) 2.256 8.130 ( -2.568 0.000 -0.625) 2.643 8.146 ( -1.266 0.000 1.163) 1.720 8.259 ( 0.779 0.000 1.502) 1.692 8.282 ( 2.354 0.000 -2.630) 3.530 8.395 ( 1.582 0.000 -1.177) 1.972 8.401 ( 0.794 0.000 0.393) 0.886 8.569 ( 0.034 0.000 -1.349) 1.349 8.588 ( -0.503 0.000 0.688) 0.852 8.651 ( -0.647 0.000 1.575) 1.703 8.656 ( -0.007 0.000 1.512) 1.512 8.714 ( -2.002 0.000 -1.809) 2.698 8.742 ( -0.622 0.000 0.425) 0.754 8.873 ( 3.246 0.000 -2.688) 4.214 8.895 ( 5.321 0.000 1.040) 5.421 8.925 ( 2.261 0.000 -0.698) 2.367 8.929 ( 2.512 0.000 2.205) 3.342 9.030 ( -1.872 0.000 3.621) 4.076 9.105 ( 0.910 0.000 -0.707) 1.152 9.185 ( -2.176 0.000 0.560) 2.247 9.203 ( -4.532 0.000 1.509) 4.776 9.268 ( -1.095 0.000 -1.302) 1.701 9.296 ( 3.028 0.000 -2.171) 3.726 9.330 ( -0.643 0.000 -0.646) 0.912 9.374 ( -1.751 0.000 3.434) 3.855 9.429 ( 0.770 0.000 1.409) 1.606 9.435 ( -4.092 0.000 -1.204) 4.265 9.509 ( 0.066 0.000 -0.549) 0.553 9.554 ( -4.769 0.000 -0.350) 4.782 9.737 ( -0.340 0.000 0.562) 0.657 9.765 ( 3.540 0.000 0.229) 3.547 9.837 ( 3.201 0.000 -2.350) 3.971 9.852 ( -2.614 0.000 0.916) 2.770 10.080 ( -2.107 0.000 -0.663) 2.209 10.111 ( -3.479 0.000 -1.660) 3.855 10.163 ( -1.694 0.000 -0.135) 1.700 10.225 ( -8.792 0.000 4.717) 9.978 10.303 ( -4.019 0.000 -1.898) 4.445 10.315 ( 4.082 0.000 -0.990) 4.201 10.399 ( -3.072 0.000 5.036) 5.899 10.445 ( 0.617 0.000 0.000) 0.617 10.510 ( -6.324 0.000 0.842) 6.379 10.590 ( -7.240 0.000 2.631) 7.703 10.710 ( -2.488 0.000 -1.193) 2.760 10.798 ( -2.772 0.000 -0.173) 2.777 10.813 ( 0.509 0.000 -1.337) 1.430 10.824 ( -2.595 0.000 0.256) 2.607 10.935 ( 5.940 0.000 3.673) 6.984 10.943 ( 4.338 0.000 -1.006) 4.453 11.065 ( 4.326 0.000 3.696) 5.690 11.144 ( 4.729 0.000 -3.393) 5.820 11.278 ( -3.499 0.000 -1.218) 3.704 11.278 ( -0.485 0.000 2.334) 2.383 11.300 ( 5.295 0.000 -1.686) 5.557 11.393 ( 4.449 0.000 -1.047) 4.571 11.470 ( 2.408 0.000 1.922) 3.081 11.518 ( 2.898 0.000 -0.312) 2.915 11.610 ( -1.112 0.000 6.775) 6.866 11.639 ( -1.370 0.000 0.145) 1.378 11.666 ( 0.379 0.000 0.701) 0.797 11.750 ( 6.102 0.000 -6.078) 8.613 11.864 ( -1.044 0.000 -7.661) 7.732 11.887 ( -0.415 0.000 8.107) 8.118 12.011 ( 0.485 0.000 -2.717) 2.760 12.030 ( 0.457 0.000 1.008) 1.107 12.166 ( -3.512 0.000 0.693) 3.579 12.192 ( -0.326 0.000 2.427) 2.449 12.203 ( -2.690 0.000 -0.111) 2.692 12.261 ( 3.345 0.000 -2.850) 4.394 12.482 ( -6.573 0.000 1.500) 6.742 12.497 ( -6.063 0.000 -0.361) 6.073 12.661 ( 1.107 0.000 0.155) 1.117 12.709 ( 2.060 0.000 -1.352) 2.464 12.986 ( -11.061 0.000 -6.322) 12.740 13.029 ( -7.149 0.000 4.422) 8.406 13.828 ( 6.475 0.000 -2.243) 6.852 13.836 ( 8.006 0.000 0.794) 8.045 15.288 ( 1.505 0.000 -0.083) 1.507 15.299 ( 1.952 0.000 0.196) 1.961 ======================= Grid point 68 (33/42) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 9.281 0.000 -12.203) 15.331 1.024 ( 3.629 0.000 11.443) 12.005 1.122 ( 14.793 0.000 -10.191) 17.963 1.224 ( 7.151 0.000 13.633) 15.395 1.375 ( 0.436 0.000 1.223) 1.298 1.397 ( -0.196 0.000 -10.393) 10.395 1.503 ( -2.495 0.000 9.546) 9.866 1.544 ( 6.415 0.000 -11.713) 13.354 1.603 ( -0.392 0.000 2.564) 2.594 1.637 ( -2.616 0.000 -2.738) 3.787 1.713 ( -2.493 0.000 -3.826) 4.567 1.839 ( 0.951 0.000 4.196) 4.302 1.906 ( 0.898 0.000 4.912) 4.994 1.911 ( 0.935 0.000 -4.980) 5.067 1.959 ( 2.497 0.000 0.443) 2.536 1.977 ( 4.387 0.000 0.769) 4.454 2.002 ( -0.338 0.000 5.319) 5.330 2.029 ( -0.295 0.000 1.377) 1.408 2.059 ( 3.403 0.000 -5.066) 6.103 2.137 ( -3.909 0.000 -3.013) 4.935 2.280 ( 3.419 0.000 0.333) 3.435 2.348 ( 0.393 0.000 3.848) 3.868 2.400 ( 5.922 0.000 2.016) 6.256 2.523 ( 1.309 0.000 0.242) 1.331 2.557 ( -0.076 0.000 -1.960) 1.962 2.570 ( 1.855 0.000 -0.805) 2.022 2.749 ( -1.096 0.000 6.515) 6.607 2.754 ( 2.643 0.000 -6.779) 7.276 2.816 ( -2.384 0.000 -1.812) 2.994 2.944 ( -5.740 0.000 4.510) 7.300 3.115 ( 3.127 0.000 -3.335) 4.571 3.145 ( -2.265 0.000 8.870) 9.155 3.172 ( 7.724 0.000 -3.504) 8.481 3.213 ( 2.786 0.000 -7.457) 7.961 3.365 ( -0.089 0.000 -1.157) 1.160 3.449 ( 3.064 0.000 -2.573) 4.001 3.486 ( 3.449 0.000 0.487) 3.483 3.512 ( 0.592 0.000 4.897) 4.933 3.686 ( -6.312 0.000 2.681) 6.858 3.693 ( -3.403 0.000 -3.237) 4.697 3.757 ( 0.833 0.000 -3.802) 3.892 3.860 ( -7.807 0.000 11.680) 14.049 4.059 ( 2.082 0.000 -8.559) 8.808 4.119 ( -2.270 0.000 9.912) 10.168 4.222 ( 3.733 0.000 -2.749) 4.636 4.244 ( 11.468 0.000 1.033) 11.514 4.382 ( 5.974 0.000 6.391) 8.749 4.417 ( -1.116 0.000 1.326) 1.733 4.424 ( -0.426 0.000 -4.688) 4.708 4.533 ( 1.680 0.000 0.185) 1.690 4.581 ( -4.328 0.000 -0.579) 4.366 4.683 ( 1.354 0.000 5.424) 5.591 4.691 ( -1.777 0.000 1.846) 2.562 4.772 ( 1.340 0.000 -7.814) 7.928 4.803 ( 2.336 0.000 -2.433) 3.373 4.888 ( -0.937 0.000 1.868) 2.090 4.997 ( -1.186 0.000 -0.500) 1.287 5.012 ( -2.991 0.000 0.085) 2.992 5.233 ( 1.493 0.000 -1.611) 2.196 5.304 ( 1.922 0.000 -6.363) 6.647 5.327 ( 2.999 0.000 -0.721) 3.085 5.353 ( 1.327 0.000 -1.186) 1.780 5.420 ( 0.016 0.000 11.665) 11.665 5.441 ( -0.480 0.000 -8.577) 8.590 5.529 ( 4.075 0.000 -4.661) 6.191 5.607 ( -0.941 0.000 4.773) 4.865 5.753 ( 0.967 0.000 -5.744) 5.825 5.760 ( 3.445 0.000 6.121) 7.024 5.973 ( -1.045 0.000 5.836) 5.929 6.017 ( 1.088 0.000 -4.637) 4.763 6.202 ( -5.431 0.000 14.506) 15.489 6.245 ( -2.020 0.000 -14.561) 14.700 6.358 ( -5.172 0.000 4.302) 6.727 6.416 ( -5.429 0.000 -4.250) 6.895 6.624 ( -1.373 0.000 -6.559) 6.701 6.643 ( -3.997 0.000 7.976) 8.921 6.761 ( -0.317 0.000 0.191) 0.370 6.848 ( -2.722 0.000 -0.143) 2.726 7.238 ( 3.403 0.000 3.078) 4.589 7.290 ( 4.311 0.000 -3.319) 5.440 7.431 ( -2.755 0.000 3.751) 4.654 7.439 ( -5.349 0.000 -2.849) 6.061 7.559 ( 4.341 0.000 0.763) 4.408 7.665 ( 0.601 0.000 -0.105) 0.610 7.752 ( -1.835 0.000 0.069) 1.836 7.758 ( -1.843 0.000 4.148) 4.539 7.931 ( 1.529 0.000 -1.658) 2.256 7.939 ( 1.926 0.000 -0.415) 1.970 8.002 ( -2.776 0.000 -1.635) 3.222 8.026 ( -1.413 0.000 -1.258) 1.892 8.095 ( -0.995 0.000 -0.595) 1.159 8.110 ( -2.467 0.000 0.811) 2.597 8.274 ( 0.277 0.000 1.956) 1.975 8.301 ( 0.027 0.000 -3.194) 3.194 8.437 ( 2.731 0.000 -1.877) 3.314 8.439 ( 2.756 0.000 0.322) 2.775 8.568 ( -0.213 0.000 -0.455) 0.502 8.569 ( -1.488 0.000 0.658) 1.627 8.632 ( -1.681 0.000 3.072) 3.502 8.640 ( -3.417 0.000 0.146) 3.420 8.681 ( 1.179 0.000 1.261) 1.727 8.733 ( -0.102 0.000 -1.273) 1.277 8.903 ( 0.475 0.000 -0.931) 1.046 8.942 ( -0.668 0.000 1.504) 1.645 8.987 ( 3.636 0.000 2.983) 4.703 9.047 ( 6.382 0.000 -1.229) 6.499 9.067 ( 4.334 0.000 -0.094) 4.335 9.140 ( 2.588 0.000 -1.160) 2.836 9.147 ( -0.484 0.000 2.476) 2.523 9.157 ( 0.017 0.000 -0.770) 0.770 9.231 ( -3.029 0.000 -0.235) 3.038 9.278 ( -2.221 0.000 -1.669) 2.778 9.338 ( -2.669 0.000 1.328) 2.981 9.370 ( -2.590 0.000 -0.398) 2.620 9.385 ( 0.816 0.000 -1.208) 1.457 9.427 ( 1.831 0.000 -0.562) 1.915 9.467 ( -1.726 0.000 2.527) 3.061 9.469 ( -2.924 0.000 -0.953) 3.076 9.687 ( -4.629 0.000 0.256) 4.636 9.738 ( -5.419 0.000 -1.237) 5.558 9.835 ( 0.821 0.000 1.232) 1.480 9.845 ( -1.588 0.000 -0.350) 1.626 9.979 ( -5.614 0.000 -5.071) 7.565 10.014 ( -9.167 0.000 3.065) 9.666 10.111 ( 2.238 0.000 0.216) 2.248 10.196 ( 0.657 0.000 2.874) 2.949 10.227 ( -0.523 0.000 0.559) 0.766 10.333 ( -1.474 0.000 0.726) 1.643 10.404 ( 1.150 0.000 0.830) 1.418 10.435 ( -1.821 0.000 -0.825) 1.999 10.435 ( -3.295 0.000 -1.106) 3.476 10.455 ( -1.721 0.000 0.712) 1.863 10.685 ( 0.496 0.000 -1.222) 1.319 10.755 ( -2.015 0.000 0.214) 2.027 10.831 ( 1.330 0.000 3.346) 3.601 10.831 ( 1.540 0.000 -3.469) 3.796 11.039 ( 5.101 0.000 -3.448) 6.157 11.059 ( 3.417 0.000 6.973) 7.765 11.162 ( 2.962 0.000 3.572) 4.640 11.194 ( -0.972 0.000 -1.482) 1.773 11.235 ( 1.114 0.000 -1.471) 1.845 11.238 ( -1.602 0.000 1.798) 2.408 11.403 ( 5.231 0.000 -2.463) 5.782 11.489 ( 0.232 0.000 1.658) 1.674 11.495 ( 3.727 0.000 1.319) 3.953 11.529 ( -0.419 0.000 0.384) 0.568 11.599 ( -2.565 0.000 0.931) 2.729 11.609 ( -1.516 0.000 4.801) 5.034 11.681 ( 0.616 0.000 1.460) 1.585 11.764 ( -2.563 0.000 -8.790) 9.157 11.875 ( 3.536 0.000 -7.236) 8.054 11.919 ( 1.380 0.000 5.630) 5.796 12.021 ( -2.635 0.000 4.055) 4.836 12.022 ( 1.202 0.000 -1.965) 2.304 12.088 ( -3.768 0.000 0.150) 3.771 12.127 ( -3.537 0.000 -0.393) 3.559 12.213 ( 1.544 0.000 3.741) 4.047 12.299 ( 0.327 0.000 -4.389) 4.401 12.379 ( -2.959 0.000 0.172) 2.964 12.390 ( -3.871 0.000 0.051) 3.872 12.669 ( -0.656 0.000 2.158) 2.255 12.673 ( -2.809 0.000 -5.159) 5.874 12.869 ( 1.218 0.000 -8.626) 8.711 12.935 ( -3.876 0.000 7.704) 8.624 13.924 ( 3.488 0.000 -1.728) 3.892 13.948 ( 2.612 0.000 1.013) 2.802 15.326 ( 1.947 0.000 -0.162) 1.954 15.340 ( 1.568 0.000 0.308) 1.598 ======================= Grid point 69 (34/42) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 21 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 5.153 0.000 -9.746) 11.024 1.037 ( -5.153 0.000 9.746) 11.024 1.326 ( 6.245 0.000 -7.845) 10.027 1.326 ( -6.245 0.000 7.845) 10.027 1.356 ( -0.702 0.000 -10.444) 10.468 1.356 ( 0.702 0.000 10.444) 10.468 1.527 ( -4.812 0.000 -3.825) 6.147 1.527 ( 4.812 0.000 3.825) 6.147 1.593 ( 1.148 0.000 -3.623) 3.800 1.593 ( -1.148 0.000 3.623) 3.800 1.769 ( 6.271 0.000 -2.358) 6.699 1.769 ( -6.271 0.000 2.358) 6.699 1.915 ( 0.833 0.000 -6.126) 6.182 1.915 ( -0.833 0.000 6.126) 6.182 2.006 ( 1.893 0.000 -0.910) 2.101 2.006 ( -1.893 0.000 0.910) 2.101 2.056 ( -3.239 0.000 -1.685) 3.652 2.056 ( 3.239 0.000 1.685) 3.652 2.075 ( -2.000 0.000 -5.657) 6.000 2.075 ( 2.000 0.000 5.657) 6.000 2.339 ( 2.105 0.000 -1.284) 2.466 2.339 ( -2.105 0.000 1.284) 2.466 2.510 ( -2.735 0.000 -0.735) 2.832 2.510 ( 2.735 0.000 0.735) 2.832 2.558 ( 1.920 0.000 -0.705) 2.045 2.558 ( -1.920 0.000 0.705) 2.045 2.752 ( -0.449 0.000 -6.572) 6.587 2.752 ( 0.449 0.000 6.572) 6.587 2.837 ( 4.488 0.000 -3.732) 5.837 2.837 ( -4.488 0.000 3.732) 5.837 3.134 ( 0.432 0.000 -6.092) 6.107 3.134 ( -0.432 0.000 6.092) 6.107 3.262 ( 2.011 0.000 -5.097) 5.479 3.262 ( -2.011 0.000 5.097) 5.479 3.419 ( -5.954 0.000 1.705) 6.193 3.419 ( 5.954 0.000 -1.705) 6.193 3.556 ( 1.531 0.000 -5.094) 5.319 3.556 ( -1.531 0.000 5.094) 5.319 3.614 ( -1.892 0.000 0.033) 1.892 3.614 ( 1.892 0.000 -0.033) 1.892 3.761 ( 3.231 0.000 -10.847) 11.318 3.761 ( -3.231 0.000 10.847) 11.318 4.098 ( 2.756 0.000 -9.837) 10.216 4.098 ( -2.756 0.000 9.837) 10.216 4.317 ( 5.882 0.000 -3.821) 7.015 4.317 ( -5.882 0.000 3.821) 7.015 4.424 ( -1.435 0.000 0.187) 1.448 4.424 ( 1.435 0.000 -0.187) 1.448 4.477 ( -5.622 0.000 -6.179) 8.354 4.477 ( 5.622 0.000 6.179) 8.354 4.603 ( -7.165 0.000 2.346) 7.540 4.603 ( 7.165 0.000 -2.346) 7.540 4.753 ( -2.736 0.000 -6.579) 7.125 4.753 ( 2.736 0.000 6.579) 7.125 4.880 ( 2.263 0.000 -2.448) 3.334 4.880 ( -2.263 0.000 2.448) 3.334 4.937 ( 0.909 0.000 -2.605) 2.759 4.937 ( -0.909 0.000 2.605) 2.759 5.282 ( -2.369 0.000 -4.886) 5.430 5.282 ( 2.369 0.000 4.886) 5.430 5.358 ( -0.788 0.000 -0.438) 0.902 5.358 ( 0.788 0.000 0.438) 0.902 5.426 ( 0.959 0.000 -6.099) 6.174 5.426 ( -0.959 0.000 6.099) 6.174 5.614 ( 2.565 0.000 -5.207) 5.805 5.614 ( -2.565 0.000 5.207) 5.805 5.775 ( 2.282 0.000 -3.788) 4.422 5.775 ( -2.282 0.000 3.788) 4.422 6.017 ( -1.970 0.000 -1.598) 2.536 6.017 ( 1.970 0.000 1.598) 2.536 6.174 ( 0.664 0.000 -16.647) 16.660 6.174 ( -0.664 0.000 16.647) 16.660 6.309 ( -1.147 0.000 -5.832) 5.944 6.309 ( 1.147 0.000 5.832) 5.944 6.604 ( 1.613 0.000 -8.377) 8.531 6.604 ( -1.613 0.000 8.377) 8.531 6.789 ( -2.471 0.000 -0.835) 2.608 6.789 ( 2.471 0.000 0.835) 2.608 7.318 ( -3.026 0.000 -3.213) 4.414 7.318 ( 3.026 0.000 3.213) 4.414 7.380 ( 2.573 0.000 -3.688) 4.497 7.380 ( -2.573 0.000 3.688) 4.497 7.645 ( -3.110 0.000 -0.317) 3.126 7.645 ( 3.110 0.000 0.317) 3.126 7.737 ( 0.759 0.000 -2.135) 2.266 7.737 ( -0.759 0.000 2.135) 2.266 7.956 ( 0.722 0.000 -0.973) 1.212 7.956 ( -0.722 0.000 0.973) 1.212 7.990 ( -1.838 0.000 0.397) 1.881 7.990 ( 1.838 0.000 -0.397) 1.881 8.078 ( -0.011 0.000 -0.003) 0.012 8.078 ( 0.011 0.000 0.003) 0.012 8.285 ( -0.414 0.000 -2.442) 2.476 8.285 ( 0.414 0.000 2.442) 2.476 8.478 ( 0.349 0.000 -0.597) 0.691 8.478 ( -0.349 0.000 0.597) 0.691 8.547 ( 0.512 0.000 -0.921) 1.054 8.547 ( -0.512 0.000 0.921) 1.054 8.609 ( 0.947 0.000 -2.704) 2.865 8.609 ( -0.947 0.000 2.704) 2.865 8.718 ( -1.165 0.000 -2.658) 2.902 8.718 ( 1.165 0.000 2.658) 2.902 8.917 ( -1.168 0.000 -0.389) 1.231 8.917 ( 1.168 0.000 0.389) 1.231 9.084 ( -4.311 0.000 -2.160) 4.822 9.084 ( 4.311 0.000 2.160) 4.822 9.117 ( 0.458 0.000 -1.959) 2.012 9.117 ( -0.458 0.000 1.959) 2.012 9.188 ( -0.901 0.000 -2.207) 2.384 9.188 ( 0.901 0.000 2.207) 2.384 9.238 ( 2.623 0.000 -1.210) 2.888 9.238 ( -2.623 0.000 1.210) 2.888 9.275 ( -4.341 0.000 1.333) 4.541 9.275 ( 4.341 0.000 -1.333) 4.541 9.415 ( 0.629 0.000 -0.324) 0.708 9.415 ( -0.629 0.000 0.324) 0.708 9.490 ( 4.321 0.000 -3.656) 5.660 9.490 ( -4.321 0.000 3.656) 5.660 9.623 ( -3.680 0.000 1.022) 3.819 9.623 ( 3.680 0.000 -1.022) 3.819 9.836 ( 0.549 0.000 -0.268) 0.611 9.836 ( -0.549 0.000 0.268) 0.611 9.912 ( 1.227 0.000 -3.604) 3.808 9.912 ( -1.227 0.000 3.604) 3.808 10.161 ( 2.309 0.000 -1.121) 2.567 10.161 ( -2.309 0.000 1.121) 2.567 10.283 ( -2.894 0.000 -1.792) 3.404 10.283 ( 2.894 0.000 1.792) 3.404 10.407 ( 0.548 0.000 -1.463) 1.562 10.407 ( -0.548 0.000 1.463) 1.562 10.434 ( 1.222 0.000 -0.847) 1.487 10.434 ( -1.222 0.000 0.847) 1.487 10.712 ( 2.146 0.000 -1.070) 2.398 10.712 ( -2.146 0.000 1.070) 2.398 10.849 ( 0.717 0.000 -3.722) 3.790 10.849 ( -0.717 0.000 3.722) 3.790 11.098 ( 1.317 0.000 -6.554) 6.685 11.098 ( -1.317 0.000 6.554) 6.685 11.179 ( 0.286 0.000 -0.866) 0.912 11.179 ( -0.286 0.000 0.866) 0.912 11.244 ( 0.017 0.000 -2.922) 2.922 11.244 ( -0.017 0.000 2.922) 2.922 11.478 ( -1.582 0.000 -0.371) 1.625 11.478 ( 1.582 0.000 0.371) 1.625 11.528 ( 1.257 0.000 -3.289) 3.521 11.528 ( -1.257 0.000 3.289) 3.521 11.584 ( 1.537 0.000 -1.888) 2.434 11.584 ( -1.537 0.000 1.888) 2.434 11.702 ( -1.072 0.000 -5.334) 5.441 11.702 ( 1.072 0.000 5.334) 5.441 11.915 ( 2.761 0.000 -4.296) 5.107 11.915 ( -2.761 0.000 4.296) 5.107 12.012 ( -1.252 0.000 -8.107) 8.203 12.012 ( 1.252 0.000 8.107) 8.203 12.070 ( -2.062 0.000 -1.938) 2.829 12.070 ( 2.062 0.000 1.938) 2.829 12.264 ( -1.892 0.000 -5.072) 5.414 12.264 ( 1.892 0.000 5.072) 5.414 12.350 ( 0.144 0.000 -0.875) 0.887 12.350 ( -0.144 0.000 0.875) 0.887 12.652 ( 1.194 0.000 -3.198) 3.413 12.652 ( -1.194 0.000 3.198) 3.413 12.894 ( 2.686 0.000 -8.442) 8.859 12.894 ( -2.686 0.000 8.442) 8.859 13.964 ( 0.824 0.000 -0.671) 1.063 13.964 ( -0.824 0.000 0.671) 1.063 15.353 ( 0.459 0.000 -0.245) 0.520 15.353 ( -0.459 0.000 0.245) 0.520 ======================= Grid point 73 (35/42) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( -5.528 5.643 -18.796) 20.388 0.805 ( 5.528 5.643 18.796) 20.388 0.901 ( 0.665 11.090 -14.203) 18.032 0.901 ( -0.665 11.090 14.203) 18.032 1.353 ( -1.530 -4.592 -7.235) 8.705 1.353 ( 1.530 -4.592 7.235) 8.705 1.434 ( 0.854 -1.850 -13.414) 13.568 1.434 ( -0.854 -1.850 13.414) 13.568 1.566 ( -2.673 -1.310 -7.536) 8.103 1.566 ( 2.673 -1.310 7.536) 8.103 1.674 ( 3.900 -7.042 -2.856) 8.541 1.674 ( -3.900 -7.042 2.856) 8.541 1.811 ( -2.236 -6.609 -5.590) 8.940 1.811 ( 2.236 -6.609 5.590) 8.940 1.901 ( 1.902 -0.960 -2.186) 3.052 1.901 ( -1.902 -0.960 2.186) 3.052 1.935 ( -3.078 -4.631 -4.992) 7.473 1.935 ( 3.078 -4.631 4.992) 7.473 2.096 ( -1.354 -1.748 -2.464) 3.311 2.096 ( 1.354 -1.748 2.464) 3.311 2.295 ( 0.247 1.690 -6.665) 6.880 2.295 ( -0.247 1.690 6.665) 6.880 2.392 ( -0.333 4.620 -7.461) 8.781 2.392 ( 0.333 4.620 7.461) 8.781 2.630 ( 0.839 6.415 -4.584) 7.929 2.630 ( -0.839 6.415 4.584) 7.929 2.846 ( -1.541 13.529 -0.671) 13.633 2.846 ( 1.541 13.529 0.671) 13.633 2.966 ( 0.266 1.487 -1.593) 2.196 2.966 ( -0.266 1.487 1.593) 2.196 3.042 ( 1.159 4.908 -4.899) 7.031 3.042 ( -1.159 4.908 4.899) 7.031 3.248 ( -1.183 -2.228 -1.574) 2.973 3.248 ( 1.183 -2.228 1.574) 2.973 3.354 ( 1.874 -1.517 -4.250) 4.886 3.354 ( -1.874 -1.517 4.250) 4.886 3.546 ( -1.252 7.589 -5.695) 9.570 3.546 ( 1.252 7.589 5.695) 9.570 3.731 ( -0.631 -2.692 -2.163) 3.511 3.731 ( 0.631 -2.692 2.163) 3.511 3.826 ( -0.276 0.469 -2.978) 3.027 3.826 ( 0.276 0.469 2.978) 3.027 4.089 ( 0.604 0.744 -2.753) 2.915 4.089 ( -0.604 0.744 2.753) 2.915 4.224 ( -2.321 -0.240 -2.287) 3.267 4.224 ( 2.321 -0.240 2.287) 3.267 4.308 ( -0.151 -5.565 -4.899) 7.416 4.308 ( 0.151 -5.565 4.899) 7.416 4.406 ( 2.288 -0.127 -5.777) 6.215 4.406 ( -2.288 -0.127 5.777) 6.215 4.500 ( 0.893 -7.399 -4.839) 8.886 4.500 ( -0.893 -7.399 4.839) 8.886 4.579 ( -2.943 -2.289 -3.221) 4.927 4.579 ( 2.943 -2.289 3.221) 4.927 4.818 ( -1.997 -9.786 -0.769) 10.018 4.818 ( 1.997 -9.786 0.769) 10.018 5.017 ( 1.398 -6.018 -6.317) 8.836 5.017 ( -1.398 -6.018 6.317) 8.836 5.106 ( 2.084 1.878 -3.481) 4.471 5.106 ( -2.084 1.878 3.481) 4.471 5.226 ( -4.581 -8.710 -2.407) 10.132 5.226 ( 4.581 -8.710 2.407) 10.132 5.396 ( -1.216 2.155 -5.780) 6.287 5.396 ( 1.216 2.155 5.780) 6.287 5.674 ( 0.885 3.523 -7.606) 8.429 5.674 ( -0.885 3.523 7.606) 8.429 5.799 ( 2.424 7.292 -10.349) 12.890 5.799 ( -2.424 7.292 10.349) 12.890 6.082 ( 0.556 3.120 -4.371) 5.399 6.082 ( -0.556 3.120 4.371) 5.399 6.335 ( 0.391 0.298 -11.018) 11.029 6.335 ( -0.391 0.298 11.018) 11.029 6.476 ( 1.393 1.048 -2.082) 2.716 6.476 ( -1.393 1.048 2.082) 2.716 6.697 ( -0.137 -2.416 -3.479) 4.238 6.697 ( 0.137 -2.416 3.479) 4.238 6.891 ( -1.460 1.925 -1.755) 2.987 6.891 ( 1.460 1.925 1.755) 2.987 7.185 ( 0.563 1.478 -1.639) 2.278 7.185 ( -0.563 1.478 1.639) 2.278 7.457 ( -0.191 -0.796 -1.147) 1.409 7.457 ( 0.191 -0.796 1.147) 1.409 7.649 ( -1.359 1.102 -2.536) 3.081 7.649 ( 1.359 1.102 2.536) 3.081 7.824 ( 2.077 -0.901 -3.398) 4.083 7.824 ( -2.077 -0.901 3.398) 4.083 7.873 ( -0.608 -0.120 -1.552) 1.671 7.873 ( 0.608 -0.120 1.552) 1.671 8.059 ( -1.421 -2.025 -0.010) 2.474 8.059 ( 1.421 -2.025 0.010) 2.474 8.143 ( 0.156 -2.293 -0.351) 2.325 8.143 ( -0.156 -2.293 0.351) 2.325 8.238 ( -0.037 0.883 -1.019) 1.349 8.238 ( 0.037 0.883 1.019) 1.349 8.500 ( 0.392 6.541 -1.894) 6.821 8.500 ( -0.392 6.541 1.894) 6.821 8.558 ( 0.057 -0.816 -1.654) 1.845 8.558 ( -0.057 -0.816 1.654) 1.845 8.712 ( 0.120 4.180 -2.697) 4.977 8.712 ( -0.120 4.180 2.697) 4.977 8.771 ( -1.916 2.671 0.018) 3.287 8.771 ( 1.916 2.671 -0.018) 3.287 8.866 ( -0.129 2.770 -0.534) 2.824 8.866 ( 0.129 2.770 0.534) 2.824 8.910 ( -0.177 1.255 -2.589) 2.882 8.910 ( 0.177 1.255 2.589) 2.882 9.052 ( -1.129 -1.303 0.002) 1.724 9.052 ( 1.129 -1.303 -0.002) 1.724 9.206 ( 0.606 -3.874 -0.955) 4.035 9.206 ( -0.606 -3.874 0.955) 4.035 9.292 ( -0.153 2.340 -1.810) 2.963 9.292 ( 0.153 2.340 1.810) 2.963 9.358 ( -1.730 -0.598 -1.687) 2.489 9.358 ( 1.730 -0.598 1.687) 2.489 9.465 ( 0.553 1.798 -1.111) 2.185 9.465 ( -0.553 1.798 1.111) 2.185 9.605 ( -5.746 2.966 -1.572) 6.655 9.605 ( 5.746 2.966 1.572) 6.655 9.700 ( -4.839 -0.717 0.088) 4.893 9.700 ( 4.839 -0.717 -0.088) 4.893 9.848 ( -2.365 1.227 -1.267) 2.951 9.848 ( 2.365 1.227 1.267) 2.951 10.051 ( -0.370 -6.405 -1.422) 6.571 10.051 ( 0.370 -6.405 1.422) 6.571 10.218 ( -3.237 -1.107 -3.171) 4.665 10.218 ( 3.237 -1.107 3.171) 4.665 10.371 ( 0.011 2.924 -1.997) 3.541 10.371 ( -0.011 2.924 1.997) 3.541 10.455 ( -2.450 1.681 -0.985) 3.130 10.455 ( 2.450 1.681 0.985) 3.130 10.584 ( -3.655 -5.790 -0.882) 6.904 10.584 ( 3.655 -5.790 0.882) 6.904 10.737 ( 2.856 1.272 -1.526) 3.479 10.737 ( -2.856 1.272 1.526) 3.479 10.880 ( -1.487 1.049 -2.350) 2.972 10.880 ( 1.487 1.049 2.350) 2.972 10.932 ( -3.126 1.509 0.561) 3.516 10.932 ( 3.126 1.509 -0.561) 3.516 11.053 ( -6.403 -5.406 -3.206) 8.972 11.053 ( 6.403 -5.406 3.206) 8.972 11.176 ( -2.781 4.114 -2.552) 5.584 11.176 ( 2.781 4.114 2.552) 5.584 11.412 ( -4.136 1.918 -1.902) 4.939 11.412 ( 4.136 1.918 1.902) 4.939 11.503 ( -0.396 3.628 -4.341) 5.671 11.503 ( 0.396 3.628 4.341) 5.671 11.634 ( 1.665 -1.326 -3.335) 3.956 11.634 ( -1.665 -1.326 3.335) 3.956 11.667 ( 0.213 2.185 -4.717) 5.203 11.667 ( -0.213 2.185 4.717) 5.203 11.888 ( 0.148 0.051 -4.934) 4.937 11.888 ( -0.148 0.051 4.934) 4.937 12.040 ( 0.701 2.098 -1.126) 2.482 12.040 ( -0.701 2.098 1.126) 2.482 12.202 ( 1.202 0.118 -2.546) 2.818 12.202 ( -1.202 0.118 2.546) 2.818 12.234 ( 0.613 0.954 -1.744) 2.080 12.234 ( -0.613 0.954 1.744) 2.080 12.591 ( 3.790 0.098 -2.478) 4.530 12.591 ( -3.790 0.098 2.478) 4.530 12.629 ( -4.220 -0.607 -2.440) 4.912 12.629 ( 4.220 -0.607 2.440) 4.912 13.024 ( -0.827 -10.715 -0.665) 10.767 13.024 ( 0.827 -10.715 0.665) 10.767 13.723 ( -0.738 0.071 -2.033) 2.164 13.723 ( 0.738 0.071 2.033) 2.164 15.274 ( -0.222 -0.065 -0.058) 0.238 15.274 ( 0.222 -0.065 0.058) 0.238 ======================= Grid point 75 (36/42) ======================= q-point: ( 0.17 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.745 ( 4.233 1.636 -12.967) 13.738 0.904 ( 6.438 6.771 2.470) 9.664 1.013 ( 9.380 8.372 0.547) 12.584 1.091 ( 9.435 7.191 9.141) 14.976 1.319 ( 0.441 -2.333 -6.616) 7.029 1.409 ( 0.139 -1.280 3.423) 3.657 1.453 ( 4.977 -0.325 -15.062) 15.866 1.482 ( 3.584 -7.328 2.793) 8.623 1.519 ( -0.911 -2.183 0.350) 2.391 1.598 ( -1.168 -5.576 2.053) 6.056 1.690 ( 3.285 -3.726 10.366) 11.494 1.731 ( 0.424 -14.811 -2.534) 15.032 1.785 ( 1.261 -0.509 -2.577) 2.914 1.829 ( -2.148 -1.531 -2.014) 3.319 1.833 ( -1.284 -5.663 -0.280) 5.814 1.897 ( 2.135 -6.207 5.501) 8.564 1.959 ( 3.576 1.894 -4.722) 6.219 2.016 ( 1.240 0.171 1.665) 2.083 2.068 ( 1.856 -1.234 3.951) 4.537 2.193 ( 4.643 -2.822 0.238) 5.439 2.249 ( -2.155 3.245 -8.489) 9.340 2.303 ( -0.235 3.328 5.723) 6.624 2.415 ( 3.652 -0.416 -3.587) 5.136 2.439 ( 1.678 5.673 7.039) 9.195 2.600 ( -0.842 6.811 -0.096) 6.863 2.672 ( 2.480 7.150 -2.881) 8.098 2.811 ( -2.708 8.159 3.044) 9.120 2.878 ( 1.145 12.407 0.754) 12.483 2.959 ( 0.571 2.407 -2.055) 3.216 2.993 ( 1.174 5.107 -1.288) 5.396 3.047 ( 2.317 2.557 -3.373) 4.825 3.094 ( 3.212 5.290 -2.334) 6.614 3.218 ( -0.743 2.880 2.604) 3.953 3.308 ( 1.617 0.360 2.153) 2.717 3.315 ( -0.400 -3.662 5.015) 6.222 3.347 ( -1.420 -2.132 -1.045) 2.766 3.481 ( -0.650 6.161 -3.318) 7.027 3.588 ( -0.662 6.812 -0.348) 6.853 3.718 ( -0.282 -0.537 -1.248) 1.388 3.755 ( -0.502 -2.093 2.510) 3.307 3.803 ( 1.140 1.508 -0.748) 2.033 3.875 ( 2.070 -3.832 1.038) 4.477 4.052 ( -2.952 1.931 3.960) 5.303 4.113 ( 1.189 2.353 -7.356) 7.814 4.163 ( -2.694 -2.238 2.508) 4.308 4.202 ( -3.986 -10.276 4.317) 11.837 4.272 ( 0.918 1.679 2.767) 3.364 4.348 ( 0.457 -0.795 -2.760) 2.908 4.374 ( 2.710 -0.499 -1.614) 3.194 4.442 ( -0.940 -9.142 3.829) 9.956 4.501 ( 0.177 -11.658 0.116) 11.660 4.564 ( 0.917 -1.254 -0.522) 1.639 4.571 ( 4.809 -3.878 -1.839) 6.446 4.704 ( 6.191 -1.354 4.392) 7.710 4.794 ( -0.297 -11.210 0.551) 11.227 4.873 ( 0.487 -4.319 1.866) 4.730 4.937 ( -3.199 -9.114 -3.188) 10.171 5.009 ( -0.642 0.341 -4.171) 4.234 5.106 ( 0.123 -1.660 4.339) 4.647 5.132 ( 1.554 -4.169 -4.237) 6.144 5.167 ( 1.496 -6.838 -2.591) 7.464 5.287 ( 1.465 -6.952 -0.696) 7.139 5.446 ( 4.917 -0.625 -1.038) 5.064 5.474 ( 3.952 3.642 5.438) 7.646 5.622 ( -2.333 7.601 -3.413) 8.652 5.689 ( 0.098 3.421 -0.166) 3.426 5.774 ( -1.699 6.838 6.226) 9.403 5.823 ( 1.893 7.098 -7.630) 10.591 6.048 ( -2.223 3.137 1.968) 4.319 6.079 ( -1.213 3.352 -0.880) 3.671 6.305 ( -0.136 0.492 -11.321) 11.332 6.313 ( -4.747 1.551 9.142) 10.417 6.429 ( -2.959 0.449 4.553) 5.449 6.484 ( -1.113 -0.190 -2.055) 2.345 6.668 ( -1.738 -1.679 -2.965) 3.825 6.687 ( -2.338 -1.533 4.747) 5.509 6.819 ( -3.793 1.855 -1.211) 4.392 6.903 ( -1.179 1.183 0.075) 1.672 7.188 ( 1.238 1.428 1.373) 2.336 7.234 ( 3.522 1.311 -0.996) 3.887 7.442 ( -1.050 -1.375 1.376) 2.211 7.479 ( 1.308 -0.998 0.573) 1.742 7.575 ( -4.548 1.407 -1.800) 5.090 7.655 ( -0.692 0.026 1.286) 1.461 7.786 ( -1.823 -0.012 2.670) 3.233 7.818 ( -3.105 0.698 1.089) 3.364 7.871 ( 2.770 -1.442 -2.312) 3.886 7.905 ( 1.083 -0.865 -0.592) 1.507 8.020 ( -1.605 -2.097 -0.293) 2.657 8.069 ( -1.060 -0.885 -0.907) 1.652 8.114 ( -1.986 -1.544 -0.246) 2.528 8.136 ( -1.178 -0.997 -0.725) 1.705 8.241 ( 0.573 1.144 -0.451) 1.357 8.270 ( 2.995 -1.098 1.548) 3.546 8.498 ( -0.118 7.757 -2.482) 8.145 8.502 ( -0.274 6.026 0.899) 6.099 8.541 ( -0.224 -0.565 -0.244) 0.655 8.590 ( 1.425 -0.692 -0.370) 1.626 8.675 ( -2.402 2.392 1.177) 3.589 8.719 ( -0.961 3.173 0.197) 3.321 8.743 ( -0.768 3.395 0.239) 3.489 8.808 ( 0.683 6.015 0.198) 6.056 8.886 ( 2.373 -0.445 -0.991) 2.609 8.895 ( 2.487 1.342 0.317) 2.843 8.928 ( 2.361 1.822 -0.794) 3.086 8.957 ( 3.134 1.011 1.615) 3.668 9.017 ( -0.349 -0.118 1.208) 1.263 9.075 ( 0.157 -2.487 0.273) 2.507 9.173 ( -2.084 -1.616 1.472) 3.020 9.214 ( -0.964 -0.792 0.068) 1.249 9.264 ( -1.514 0.142 -1.272) 1.983 9.279 ( 0.375 -1.796 0.263) 1.853 9.312 ( -1.744 0.166 -1.675) 2.423 9.372 ( -1.545 0.619 1.914) 2.537 9.444 ( 0.474 1.816 2.249) 2.930 9.460 ( -4.361 1.646 -0.984) 4.764 9.522 ( -1.060 0.606 -0.796) 1.458 9.577 ( -6.310 0.511 -0.203) 6.334 9.713 ( 2.345 0.082 0.398) 2.380 9.798 ( 2.805 0.645 0.004) 2.878 9.820 ( 0.773 -0.095 -1.717) 1.886 9.881 ( -1.134 2.073 -0.603) 2.438 10.016 ( -3.171 -6.419 -2.297) 7.519 10.052 ( 1.849 -4.399 1.961) 5.159 10.106 ( -4.249 -1.524 -2.739) 5.280 10.192 ( -8.553 -3.511 4.620) 10.336 10.323 ( -5.212 1.682 -0.504) 5.500 10.388 ( -1.834 -0.700 3.346) 3.879 10.411 ( 2.558 4.990 0.430) 5.623 10.476 ( -3.291 -1.412 -0.216) 3.588 10.492 ( 0.831 3.392 -0.120) 3.494 10.586 ( -4.262 -1.031 1.546) 4.649 10.677 ( -0.824 -0.225 1.818) 2.009 10.793 ( -1.158 -0.865 -1.360) 1.985 10.811 ( -4.596 -0.386 1.430) 4.828 10.863 ( -1.637 1.396 -2.012) 2.945 10.929 ( 5.455 1.576 -2.210) 6.093 10.975 ( 5.912 0.491 0.362) 5.943 11.110 ( 6.720 2.019 0.843) 7.067 11.174 ( 2.550 0.694 -0.925) 2.800 11.190 ( 4.573 0.305 -3.730) 5.909 11.271 ( 2.548 -0.181 3.981) 4.730 11.325 ( -2.397 2.620 -0.164) 3.555 11.460 ( 1.363 0.789 2.491) 2.947 11.519 ( 1.343 0.410 -1.694) 2.200 11.559 ( 1.482 2.973 1.762) 3.761 11.589 ( -1.386 -0.019 3.686) 3.938 11.624 ( -1.537 2.569 2.654) 4.001 11.689 ( 0.809 1.592 2.104) 2.760 11.733 ( 6.353 -2.665 -6.812) 9.689 11.840 ( -2.631 -0.500 -1.040) 2.873 11.914 ( 0.350 0.973 2.187) 2.419 12.020 ( -0.849 1.180 -1.369) 1.997 12.044 ( -0.203 0.924 -0.416) 1.034 12.171 ( -3.545 0.589 1.912) 4.071 12.189 ( -2.742 -0.931 -0.454) 2.931 12.199 ( -0.680 0.722 0.128) 1.000 12.267 ( 2.205 0.179 -1.244) 2.538 12.465 ( -6.956 -1.055 2.126) 7.350 12.501 ( -6.883 -0.528 -1.862) 7.150 12.657 ( 1.340 0.147 0.355) 1.394 12.702 ( 2.341 -0.600 -1.738) 2.977 12.900 ( -6.180 -6.765 -2.943) 9.624 12.974 ( -5.597 -5.941 2.058) 8.418 13.779 ( 6.038 -2.456 -0.605) 6.547 13.831 ( 6.081 -1.785 -0.713) 6.378 15.288 ( 1.493 -0.018 -0.061) 1.494 15.297 ( 1.835 -0.216 0.158) 1.854 ======================= Grid point 76 (37/42) ======================= q-point: ( 0.33 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 9.696 -2.037 -6.676) 11.947 1.091 ( 8.658 2.693 2.361) 9.369 1.167 ( 4.100 6.333 -4.139) 8.605 1.231 ( 2.516 -1.813 9.578) 10.068 1.318 ( 1.346 -1.312 -7.565) 7.795 1.405 ( -1.710 -1.908 4.857) 5.491 1.461 ( -1.365 -4.320 -6.063) 7.568 1.497 ( -1.457 -5.268 5.335) 7.638 1.585 ( 5.374 2.123 -1.865) 6.072 1.649 ( 5.569 -0.928 -4.242) 7.062 1.680 ( -3.491 -3.599 -1.599) 5.263 1.755 ( 1.001 -5.113 1.555) 5.437 1.771 ( 1.649 -13.300 -0.908) 13.433 1.831 ( 1.792 -5.502 2.045) 6.137 1.903 ( 2.993 -3.115 1.035) 4.442 1.964 ( 1.764 -2.095 2.741) 3.875 2.010 ( 1.390 -1.297 -0.335) 1.931 2.052 ( 3.002 5.024 3.369) 6.753 2.102 ( -0.673 4.449 -2.897) 5.352 2.187 ( 0.426 0.831 -4.615) 4.708 2.287 ( 3.982 1.265 -1.507) 4.442 2.324 ( 0.696 2.896 4.474) 5.375 2.466 ( 0.804 -4.277 -1.456) 4.589 2.477 ( 0.121 0.274 0.864) 0.915 2.610 ( 2.255 10.339 1.738) 10.724 2.713 ( 1.356 9.009 -0.814) 9.146 2.753 ( -2.607 3.815 3.971) 6.092 2.872 ( -3.214 11.129 0.112) 11.585 2.958 ( 0.657 0.817 0.158) 1.060 3.026 ( 2.462 12.386 -6.195) 14.066 3.061 ( 0.784 -0.797 -3.119) 3.313 3.144 ( 0.955 3.458 0.137) 3.590 3.255 ( 2.853 7.272 2.529) 8.211 3.283 ( -1.773 -2.067 3.909) 4.764 3.357 ( 3.598 0.506 0.985) 3.764 3.420 ( 5.958 1.056 -1.725) 6.292 3.475 ( 0.286 2.007 0.084) 2.029 3.564 ( -0.272 1.763 -0.482) 1.848 3.697 ( -1.593 5.121 -0.249) 5.369 3.712 ( -3.062 0.973 -2.125) 3.852 3.828 ( -0.793 5.556 -2.032) 5.969 3.909 ( 0.148 -6.795 6.489) 9.397 3.972 ( -3.606 1.936 5.309) 6.703 4.100 ( -1.774 -4.608 -0.516) 4.964 4.154 ( 3.210 -2.005 -6.087) 7.168 4.186 ( 0.713 -14.273 0.861) 14.317 4.319 ( -2.200 -6.419 4.304) 8.035 4.364 ( 4.852 -3.041 -2.895) 6.416 4.405 ( 3.934 -0.677 -3.158) 5.090 4.453 ( -6.464 -10.945 2.488) 12.953 4.500 ( 4.121 -1.836 3.292) 5.585 4.577 ( 2.010 -2.057 2.429) 3.765 4.629 ( -0.245 -8.146 0.628) 8.173 4.771 ( 0.177 -2.413 0.234) 2.431 4.796 ( -0.044 -9.544 0.678) 9.569 4.854 ( -2.421 -3.262 -3.863) 5.606 4.872 ( -0.744 -2.659 -2.766) 3.908 5.017 ( -0.807 -3.315 0.160) 3.416 5.122 ( 1.064 -7.691 4.506) 8.977 5.172 ( 1.245 -7.406 -1.816) 7.726 5.241 ( 7.160 -0.891 -4.012) 8.255 5.351 ( 4.709 -1.987 3.026) 5.940 5.468 ( -2.121 2.757 -3.568) 4.983 5.536 ( -0.912 4.864 1.536) 5.181 5.631 ( 4.876 8.101 -3.324) 10.022 5.687 ( 0.137 4.621 3.808) 5.990 5.786 ( 2.187 3.782 -1.004) 4.483 5.842 ( 1.703 6.108 -4.059) 7.529 6.009 ( -2.313 3.073 4.300) 5.770 6.047 ( -1.258 1.755 -1.915) 2.886 6.229 ( -4.532 2.416 7.701) 9.256 6.262 ( -1.617 1.565 -10.055) 10.304 6.361 ( -4.128 1.054 4.112) 5.921 6.426 ( -4.053 0.615 -2.504) 4.804 6.616 ( -2.315 -1.082 -2.535) 3.599 6.632 ( -3.684 -1.485 4.200) 5.781 6.769 ( -0.480 1.435 0.944) 1.784 6.855 ( -2.987 0.455 -0.745) 3.112 7.237 ( 2.915 0.477 1.656) 3.386 7.306 ( 3.162 0.427 -1.439) 3.500 7.413 ( -2.309 -0.258 1.985) 3.055 7.461 ( -3.395 0.797 -1.355) 3.741 7.544 ( 2.733 -0.966 0.889) 3.032 7.645 ( -0.562 -1.957 -0.557) 2.111 7.763 ( -1.270 0.867 0.750) 1.711 7.768 ( -1.947 0.812 3.200) 3.832 7.922 ( 1.863 -0.682 -1.049) 2.244 7.928 ( 2.541 -0.804 -0.876) 2.806 7.992 ( -1.553 -0.549 -0.990) 1.922 8.023 ( -1.094 -1.442 -0.836) 1.994 8.073 ( -2.402 0.276 -0.886) 2.575 8.109 ( -1.637 -0.922 -0.610) 1.976 8.268 ( 2.268 1.227 0.158) 2.584 8.344 ( 3.651 -0.728 0.996) 3.854 8.440 ( -3.616 4.812 -1.390) 6.178 8.503 ( -0.860 2.906 -0.680) 3.106 8.562 ( 1.523 1.526 -0.976) 2.367 8.597 ( -0.655 1.711 0.835) 2.013 8.634 ( -1.649 0.499 0.231) 1.738 8.666 ( -3.285 1.964 1.323) 4.050 8.748 ( 0.916 4.999 1.781) 5.385 8.802 ( -0.630 5.695 -0.371) 5.742 8.907 ( 0.085 -0.195 -1.164) 1.183 8.939 ( 0.096 0.696 0.065) 0.706 8.987 ( 2.931 -0.638 3.263) 4.432 9.036 ( 5.080 -0.406 -1.126) 5.219 9.079 ( 3.085 -0.092 0.563) 3.137 9.101 ( 4.903 -1.347 -0.618) 5.122 9.136 ( -1.670 -0.189 0.972) 1.942 9.193 ( -0.791 1.074 -0.271) 1.361 9.243 ( -0.628 0.631 -1.065) 1.388 9.286 ( -0.225 0.390 -0.365) 0.580 9.319 ( -1.696 -0.842 1.202) 2.243 9.332 ( 1.776 -1.732 -1.274) 2.789 9.374 ( -3.625 -0.688 -0.280) 3.700 9.419 ( -2.806 -1.272 1.080) 3.265 9.470 ( -3.222 0.283 -0.136) 3.237 9.491 ( -1.245 0.862 0.032) 1.514 9.674 ( -5.889 -1.396 0.180) 6.055 9.737 ( -7.009 -0.489 -1.920) 7.284 9.853 ( -0.309 1.812 0.034) 1.838 9.859 ( 0.990 1.001 1.552) 2.095 9.933 ( -2.900 -2.250 -3.577) 5.125 9.999 ( -6.827 -2.024 0.807) 7.166 10.083 ( 1.309 -2.662 0.796) 3.071 10.126 ( 1.490 -4.319 1.813) 4.916 10.238 ( -1.864 1.139 0.452) 2.231 10.323 ( -4.159 -1.649 0.333) 4.486 10.437 ( 1.422 2.549 -0.590) 2.978 10.470 ( 0.773 4.179 3.218) 5.331 10.503 ( -0.653 4.414 -0.138) 4.464 10.520 ( -1.320 5.721 -2.210) 6.273 10.684 ( 0.833 -0.318 0.779) 1.184 10.748 ( -2.816 -0.555 0.284) 2.885 10.778 ( 1.218 -2.944 1.644) 3.585 10.848 ( -0.999 -0.851 -1.281) 1.834 11.033 ( 6.001 0.662 -5.317) 8.045 11.101 ( 3.716 3.381 4.642) 6.840 11.205 ( 0.805 1.492 0.422) 1.747 11.222 ( 1.789 2.070 -3.783) 4.669 11.244 ( 3.365 3.042 3.960) 6.021 11.275 ( -0.405 2.599 1.554) 3.055 11.366 ( 4.577 0.122 -1.342) 4.772 11.473 ( -0.963 -1.676 2.933) 3.513 11.523 ( -0.481 -0.716 -0.963) 1.293 11.536 ( -3.010 -2.452 1.800) 4.279 11.605 ( 1.099 2.968 2.237) 3.876 11.621 ( 0.325 4.342 1.821) 4.719 11.703 ( 0.076 1.227 0.991) 1.579 11.775 ( -3.063 0.210 -3.742) 4.840 11.840 ( 5.161 -2.960 -6.189) 8.585 11.929 ( 0.840 0.599 4.362) 4.482 12.011 ( -1.651 -1.566 -0.350) 2.302 12.016 ( -1.179 -0.178 1.833) 2.187 12.082 ( -4.624 -0.560 -1.618) 4.931 12.111 ( -3.516 -1.105 -0.322) 3.700 12.207 ( 1.040 -0.350 2.308) 2.555 12.291 ( -0.219 -0.808 -2.668) 2.796 12.351 ( -3.594 -2.549 0.241) 4.413 12.379 ( -4.205 -1.327 -0.958) 4.513 12.661 ( -0.554 0.573 0.786) 1.119 12.697 ( -1.167 1.308 -3.271) 3.711 12.841 ( 1.401 -2.634 -6.940) 7.554 12.896 ( -3.164 -3.695 6.968) 8.499 13.885 ( 3.935 -3.029 -0.630) 5.006 13.919 ( 2.429 -2.768 -0.056) 3.683 15.325 ( 1.845 -0.123 -0.132) 1.853 15.335 ( 1.537 -0.390 0.243) 1.605 ======================= Grid point 77 (38/42) ======================= q-point: ( 0.50 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 3.806 -1.295 -6.545) 7.681 1.061 ( -3.806 -1.295 6.545) 7.681 1.255 ( -0.281 -1.501 -5.996) 6.188 1.255 ( 0.281 -1.501 5.996) 6.188 1.351 ( 1.123 -0.885 -8.998) 9.110 1.351 ( -1.123 -0.885 8.998) 9.110 1.466 ( 2.041 -3.767 -4.247) 6.033 1.466 ( -2.041 -3.767 4.247) 6.033 1.632 ( -0.447 0.111 -2.389) 2.433 1.632 ( 0.447 0.111 2.389) 2.433 1.745 ( 1.528 -4.863 -1.998) 5.475 1.745 ( -1.528 -4.863 1.998) 5.475 1.841 ( 1.465 -6.756 -5.120) 8.602 1.841 ( -1.465 -6.756 5.120) 8.602 1.943 ( -0.795 0.652 -3.876) 4.010 1.943 ( 0.795 0.652 3.876) 4.010 2.030 ( -1.115 -1.761 -0.369) 2.117 2.030 ( 1.115 -1.761 0.369) 2.117 2.172 ( -1.329 5.151 -1.214) 5.457 2.172 ( 1.329 5.151 1.214) 5.457 2.339 ( 0.955 2.547 -2.488) 3.686 2.339 ( -0.955 2.547 2.488) 3.686 2.459 ( 0.353 -4.531 -1.540) 4.799 2.459 ( -0.353 -4.531 1.540) 4.799 2.684 ( 0.046 7.914 -3.499) 8.653 2.684 ( -0.046 7.914 3.499) 8.653 2.776 ( -3.079 8.389 -2.968) 9.416 2.776 ( 3.079 8.389 2.968) 9.416 3.011 ( -0.766 8.784 -8.847) 12.491 3.011 ( 0.766 8.784 8.847) 12.491 3.105 ( 3.334 -1.346 -2.373) 4.308 3.105 ( -3.334 -1.346 2.373) 4.308 3.285 ( 0.141 5.959 -1.924) 6.263 3.285 ( -0.141 5.959 1.924) 6.263 3.436 ( -2.083 -0.737 -1.545) 2.696 3.436 ( 2.083 -0.737 1.545) 2.696 3.557 ( -1.707 -1.104 -1.976) 2.835 3.557 ( 1.707 -1.104 1.976) 2.835 3.658 ( 1.076 5.982 -7.514) 9.665 3.658 ( -1.076 5.982 7.514) 9.665 3.833 ( 4.949 7.322 -11.785) 14.731 3.833 ( -4.949 7.322 11.785) 14.731 4.034 ( -3.774 -10.770 -2.426) 11.667 4.034 ( 3.774 -10.770 2.426) 11.667 4.221 ( 0.123 -6.671 -3.958) 7.758 4.221 ( -0.123 -6.671 3.958) 7.758 4.292 ( 0.964 -8.280 -3.290) 8.961 4.292 ( -0.964 -8.280 3.290) 8.961 4.470 ( 1.279 -4.078 -1.761) 4.622 4.470 ( -1.279 -4.078 1.761) 4.622 4.562 ( -3.069 -6.164 -1.414) 7.029 4.562 ( 3.069 -6.164 1.414) 7.029 4.693 ( -6.763 -0.032 -5.018) 8.422 4.693 ( 6.763 -0.032 5.018) 8.422 4.797 ( -1.434 -10.173 -3.373) 10.813 4.797 ( 1.434 -10.173 3.373) 10.813 4.939 ( -5.405 -0.289 -0.128) 5.415 4.939 ( 5.405 -0.289 0.128) 5.415 5.165 ( 0.114 -8.114 -5.247) 9.664 5.165 ( -0.114 -8.114 5.247) 9.664 5.381 ( -4.001 2.430 -2.785) 5.447 5.381 ( 4.001 2.430 2.785) 5.447 5.464 ( -2.218 4.254 -4.481) 6.565 5.464 ( 2.218 4.254 4.481) 6.565 5.703 ( 1.613 5.638 -5.438) 7.997 5.703 ( -1.613 5.638 5.438) 7.997 5.839 ( -1.233 3.592 -1.255) 4.000 5.839 ( 1.233 3.592 1.255) 4.000 6.007 ( -1.490 -0.073 -2.236) 2.688 6.007 ( 1.490 -0.073 2.236) 2.688 6.205 ( 0.349 3.134 -11.084) 11.523 6.205 ( -0.349 3.134 11.084) 11.523 6.341 ( -1.243 2.671 -5.709) 6.424 6.341 ( 1.243 2.671 5.709) 6.424 6.590 ( 0.999 -1.734 -6.074) 6.395 6.590 ( -0.999 -1.734 6.074) 6.395 6.795 ( -1.874 0.729 -2.489) 3.200 6.795 ( 1.874 0.729 2.489) 3.200 7.304 ( -1.935 -0.893 -2.300) 3.136 7.304 ( 1.935 -0.893 2.300) 3.136 7.407 ( 0.344 2.048 -3.017) 3.663 7.407 ( -0.344 2.048 3.017) 3.663 7.611 ( -2.672 -2.809 -0.990) 4.001 7.611 ( 2.672 -2.809 0.990) 4.001 7.750 ( 0.515 0.954 -1.719) 2.033 7.750 ( -0.515 0.954 1.719) 2.033 7.951 ( -1.165 -0.329 -0.758) 1.428 7.951 ( 1.165 -0.329 0.758) 1.428 7.998 ( -2.695 0.625 -0.939) 2.921 7.998 ( 2.695 0.625 0.939) 2.921 8.059 ( -2.796 -1.402 -0.038) 3.128 8.059 ( 2.796 -1.402 0.038) 3.128 8.335 ( -3.453 4.066 -1.314) 5.494 8.335 ( 3.453 4.066 1.314) 5.494 8.450 ( -4.010 -1.864 -0.114) 4.423 8.450 ( 4.010 -1.864 0.114) 4.423 8.577 ( 1.282 2.587 -1.832) 3.419 8.577 ( -1.282 2.587 1.832) 3.419 8.628 ( 1.509 1.484 -2.432) 3.224 8.628 ( -1.509 1.484 2.432) 3.224 8.782 ( -1.226 4.969 -1.906) 5.461 8.782 ( 1.226 4.969 1.906) 5.461 8.914 ( 0.543 -0.245 -0.484) 0.768 8.914 ( -0.543 -0.245 0.484) 0.768 9.073 ( -3.823 -1.747 -0.759) 4.271 9.073 ( 3.823 -1.747 0.759) 4.271 9.110 ( -0.417 -0.021 -0.604) 0.734 9.110 ( 0.417 -0.021 0.604) 0.734 9.197 ( -2.885 1.233 -1.493) 3.474 9.197 ( 2.885 1.233 1.493) 3.474 9.235 ( -3.650 -0.127 -0.622) 3.705 9.235 ( 3.650 -0.127 0.622) 3.705 9.294 ( -1.773 1.617 -1.422) 2.789 9.294 ( 1.773 1.617 1.422) 2.789 9.400 ( -0.980 -1.395 -1.978) 2.611 9.400 ( 0.980 -1.395 1.978) 2.611 9.480 ( 4.350 -0.915 -3.120) 5.431 9.480 ( -4.350 -0.915 3.120) 5.431 9.586 ( -1.539 -3.489 -0.235) 3.820 9.586 ( 1.539 -3.489 0.235) 3.820 9.862 ( 0.539 2.494 -0.599) 2.621 9.862 ( -0.539 2.494 0.599) 2.621 9.914 ( 1.252 0.172 -3.243) 3.481 9.914 ( -1.252 0.172 3.243) 3.481 10.121 ( 0.678 -3.594 -0.894) 3.765 10.121 ( -0.678 -3.594 0.894) 3.765 10.255 ( -2.164 -0.732 -1.075) 2.525 10.255 ( 2.164 -0.732 1.075) 2.525 10.469 ( 0.313 3.271 -2.126) 3.914 10.469 ( -0.313 3.271 2.126) 3.914 10.502 ( -0.309 6.564 -2.818) 7.150 10.502 ( 0.309 6.564 2.818) 7.150 10.705 ( -0.093 -0.741 -0.756) 1.062 10.705 ( 0.093 -0.741 0.756) 1.062 10.816 ( -1.140 -3.119 -2.287) 4.032 10.816 ( 1.140 -3.119 2.287) 4.032 11.119 ( 3.199 2.564 -6.566) 7.741 11.119 ( -3.199 2.564 6.566) 7.741 11.218 ( -0.357 2.710 -0.925) 2.886 11.218 ( 0.357 2.710 0.925) 2.886 11.288 ( 0.742 4.207 -1.856) 4.658 11.288 ( -0.742 4.207 1.856) 4.658 11.452 ( 2.431 -1.572 -1.999) 3.518 11.452 ( -2.431 -1.572 1.999) 3.518 11.493 ( -1.093 -3.313 -2.179) 4.113 11.493 ( 1.093 -3.313 2.179) 4.113 11.628 ( 0.163 4.231 -2.914) 5.140 11.628 ( -0.163 4.231 2.914) 5.140 11.714 ( -1.338 0.561 -2.779) 3.135 11.714 ( 1.338 0.561 2.779) 3.135 11.917 ( 4.149 -0.192 -4.680) 6.257 11.917 ( -4.149 -0.192 4.680) 6.257 11.997 ( -2.552 -2.141 -6.196) 7.034 11.997 ( 2.552 -2.141 6.196) 7.034 12.049 ( -2.128 -1.190 -0.456) 2.480 12.049 ( 2.128 -1.190 0.456) 2.480 12.250 ( -2.104 -1.308 -3.427) 4.229 12.250 ( 2.104 -1.308 3.427) 4.229 12.328 ( 0.132 -2.179 -0.056) 2.184 12.328 ( -0.132 -2.179 0.056) 2.184 12.668 ( 0.264 1.684 -3.940) 4.293 12.668 ( -0.264 1.684 3.940) 4.293 12.864 ( 2.256 -2.814 -8.156) 8.918 12.864 ( -2.256 -2.814 8.156) 8.918 13.933 ( -0.287 -2.764 -0.310) 2.796 13.933 ( 0.287 -2.764 0.310) 2.796 15.349 ( 0.366 -0.324 -0.201) 0.528 15.349 ( -0.366 -0.324 0.201) 0.528 ======================= Grid point 81 (39/42) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( -5.141 6.773 -11.108) 13.989 0.940 ( 5.141 6.773 11.108) 13.989 1.086 ( 3.620 7.147 -7.625) 11.060 1.086 ( -3.620 7.147 7.625) 11.060 1.263 ( 2.244 -3.766 -5.134) 6.751 1.263 ( -2.244 -3.766 5.134) 6.751 1.396 ( -2.940 -10.743 -5.171) 12.280 1.396 ( 2.940 -10.743 5.171) 12.280 1.452 ( 0.044 -0.203 -0.520) 0.560 1.452 ( -0.044 -0.203 0.520) 0.560 1.558 ( -1.260 -1.923 -3.079) 3.843 1.558 ( 1.260 -1.923 3.079) 3.843 1.739 ( -0.649 -1.578 -1.827) 2.500 1.739 ( 0.649 -1.578 1.827) 2.500 1.831 ( -0.893 -1.780 -3.782) 4.275 1.831 ( 0.893 -1.780 3.782) 4.275 1.947 ( -0.503 0.789 -2.997) 3.139 1.947 ( 0.503 0.789 2.997) 3.139 2.084 ( -0.009 0.338 -3.397) 3.413 2.084 ( 0.009 0.338 3.397) 3.413 2.356 ( -0.769 3.316 -6.938) 7.728 2.356 ( 0.769 3.316 6.938) 7.728 2.421 ( -1.196 -1.130 -7.818) 7.989 2.421 ( 1.196 -1.130 7.818) 7.989 2.694 ( -0.241 0.388 -2.465) 2.507 2.694 ( 0.241 0.388 2.465) 2.507 2.994 ( 1.061 1.183 -1.629) 2.276 2.994 ( -1.061 1.183 1.629) 2.276 3.065 ( -1.717 5.292 -0.062) 5.564 3.065 ( 1.717 5.292 0.062) 5.564 3.214 ( 0.999 9.992 -3.882) 10.766 3.214 ( -0.999 9.992 3.882) 10.766 3.266 ( 1.481 4.415 -2.788) 5.428 3.266 ( -1.481 4.415 2.788) 5.428 3.378 ( -1.219 6.268 -2.762) 6.957 3.378 ( 1.219 6.268 2.762) 6.957 3.600 ( -0.562 -7.029 -1.932) 7.311 3.600 ( 0.562 -7.029 1.932) 7.311 3.678 ( 0.831 -3.946 -3.498) 5.338 3.678 ( -0.831 -3.946 3.498) 5.338 3.818 ( -1.124 -0.349 -1.907) 2.241 3.818 ( 1.124 -0.349 1.907) 2.241 4.049 ( -1.116 0.324 -2.700) 2.939 4.049 ( 1.116 0.324 2.700) 2.939 4.159 ( 2.550 -5.307 -5.599) 8.125 4.159 ( -2.550 -5.307 5.599) 8.125 4.251 ( -0.046 2.376 -2.670) 3.575 4.251 ( 0.046 2.376 2.670) 3.575 4.298 ( -0.536 -7.718 -4.795) 9.102 4.298 ( 0.536 -7.718 4.795) 9.102 4.475 ( 1.185 -1.356 -2.632) 3.189 4.475 ( -1.185 -1.356 2.632) 3.189 4.555 ( 0.852 -0.402 -3.379) 3.508 4.555 ( -0.852 -0.402 3.379) 3.508 4.649 ( 1.421 -3.278 -1.094) 3.737 4.649 ( -1.421 -3.278 1.094) 3.737 4.967 ( -0.382 0.458 -3.970) 4.015 4.967 ( 0.382 0.458 3.970) 4.015 5.043 ( -4.019 -7.136 -1.850) 8.396 5.043 ( 4.019 -7.136 1.850) 8.396 5.156 ( 0.642 1.225 -1.554) 2.080 5.156 ( -0.642 1.225 1.554) 2.080 5.401 ( -1.094 -0.542 -2.343) 2.642 5.401 ( 1.094 -0.542 2.343) 2.642 5.743 ( 0.450 2.407 -2.200) 3.292 5.743 ( -0.450 2.407 2.200) 3.292 5.931 ( 0.996 4.767 -5.086) 7.041 5.931 ( -0.996 4.767 5.086) 7.041 6.110 ( -0.073 -0.290 -2.672) 2.689 6.110 ( 0.073 -0.290 2.672) 2.689 6.344 ( -0.040 0.405 -4.760) 4.777 6.344 ( 0.040 0.405 4.760) 4.777 6.505 ( 0.401 1.439 -0.638) 1.624 6.505 ( -0.401 1.439 0.638) 1.624 6.653 ( -0.223 -1.679 -2.036) 2.648 6.653 ( 0.223 -1.679 2.036) 2.648 6.916 ( -0.625 0.614 -0.910) 1.263 6.916 ( 0.625 0.614 0.910) 1.263 7.209 ( 0.028 0.699 -0.582) 0.910 7.209 ( -0.028 0.699 0.582) 0.910 7.445 ( -0.323 -0.346 -0.475) 0.671 7.445 ( 0.323 -0.346 0.475) 0.671 7.668 ( -0.648 0.614 -0.926) 1.287 7.668 ( 0.648 0.614 0.926) 1.287 7.809 ( 0.682 -0.465 -1.700) 1.890 7.809 ( -0.682 -0.465 1.700) 1.890 7.871 ( -0.139 -0.115 -0.435) 0.470 7.871 ( 0.139 -0.115 0.435) 0.470 8.027 ( -1.143 -1.002 0.191) 1.532 8.027 ( 1.143 -1.002 -0.191) 1.532 8.109 ( 0.552 -0.910 -0.304) 1.107 8.109 ( -0.552 -0.910 0.304) 1.107 8.259 ( 0.265 0.722 -0.461) 0.897 8.259 ( -0.265 0.722 0.461) 0.897 8.518 ( -0.741 -0.725 -0.031) 1.037 8.518 ( 0.741 -0.725 0.031) 1.037 8.616 ( 0.454 2.604 -0.864) 2.781 8.616 ( -0.454 2.604 0.864) 2.781 8.775 ( -0.064 1.824 -2.159) 2.827 8.775 ( 0.064 1.824 2.159) 2.827 8.823 ( -0.587 2.344 -0.976) 2.606 8.823 ( 0.587 2.344 0.976) 2.606 8.875 ( -0.095 -1.369 -1.192) 1.818 8.875 ( 0.095 -1.369 1.192) 1.818 8.975 ( 0.413 4.010 -2.481) 4.734 8.975 ( -0.413 4.010 2.481) 4.734 9.044 ( 0.330 -0.523 -1.701) 1.810 9.044 ( -0.330 -0.523 1.701) 1.810 9.133 ( -0.679 -2.426 -0.384) 2.548 9.133 ( 0.679 -2.426 0.384) 2.548 9.316 ( -1.190 -0.083 0.067) 1.195 9.316 ( 1.190 -0.083 -0.067) 1.195 9.370 ( -2.283 1.559 -0.557) 2.820 9.370 ( 2.283 1.559 0.557) 2.820 9.491 ( 0.488 0.567 -0.820) 1.110 9.491 ( -0.488 0.567 0.820) 1.110 9.626 ( -2.736 -0.369 -0.013) 2.761 9.626 ( 2.736 -0.369 0.013) 2.761 9.700 ( 1.926 0.176 -1.144) 2.247 9.700 ( -1.926 0.176 1.144) 2.247 9.875 ( -1.668 1.187 -0.828) 2.208 9.875 ( 1.668 1.187 0.828) 2.208 9.963 ( -1.584 -2.101 -1.490) 3.024 9.963 ( 1.584 -2.101 1.490) 3.024 10.191 ( -1.574 -1.177 -1.879) 2.719 10.191 ( 1.574 -1.177 1.879) 2.719 10.388 ( 0.021 -0.730 -0.574) 0.929 10.388 ( -0.021 -0.730 0.574) 0.929 10.490 ( -3.018 1.569 -0.111) 3.403 10.490 ( 3.018 1.569 0.111) 3.403 10.517 ( -3.616 -1.168 -0.287) 3.811 10.517 ( 3.616 -1.168 0.287) 3.811 10.785 ( -0.807 3.399 -0.586) 3.542 10.785 ( 0.807 3.399 0.586) 3.542 10.864 ( 0.143 -3.440 -0.251) 3.453 10.864 ( -0.143 -3.440 0.251) 3.453 10.939 ( -5.761 0.735 -1.646) 6.037 10.939 ( 5.761 0.735 1.646) 6.037 10.980 ( -7.599 -1.973 -2.493) 8.238 10.980 ( 7.599 -1.973 2.493) 8.238 11.279 ( -0.063 4.863 -1.812) 5.190 11.279 ( 0.063 4.863 1.812) 5.190 11.450 ( -2.929 1.719 -1.656) 3.779 11.450 ( 2.929 1.719 1.656) 3.779 11.490 ( 0.566 -2.735 -1.936) 3.398 11.490 ( -0.566 -2.735 1.936) 3.398 11.584 ( 0.739 -2.515 -1.114) 2.849 11.584 ( -0.739 -2.515 1.114) 2.849 11.762 ( 0.206 4.410 -2.893) 5.279 11.762 ( -0.206 4.410 2.893) 5.279 11.878 ( -0.120 -0.994 -1.930) 2.174 11.878 ( 0.120 -0.994 1.930) 2.174 12.077 ( 0.182 1.188 -0.890) 1.496 12.077 ( -0.182 1.188 0.890) 1.496 12.205 ( 0.293 0.024 -1.503) 1.531 12.205 ( -0.293 0.024 1.503) 1.531 12.263 ( 0.688 1.757 -2.415) 3.065 12.263 ( -0.688 1.757 2.415) 3.065 12.554 ( 1.643 -2.385 -2.832) 4.050 12.554 ( -1.643 -2.385 2.832) 4.050 12.670 ( -0.247 3.965 -3.273) 5.147 12.670 ( 0.247 3.965 3.273) 5.147 12.824 ( 0.571 -8.323 -3.472) 9.036 12.824 ( -0.571 -8.323 3.472) 9.036 13.721 ( -0.310 -0.138 -0.808) 0.877 13.721 ( 0.310 -0.138 0.808) 0.877 15.273 ( -0.092 -0.035 -0.022) 0.101 15.273 ( 0.092 -0.035 0.022) 0.101 ======================= Grid point 83 (40/42) ======================= q-point: ( 0.17 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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| 0.858 ( -0.325 10.345 -8.991) 13.710 1.067 ( 2.518 3.307 0.513) 4.188 1.089 ( 3.341 -1.538 5.925) 6.974 1.165 ( 4.804 2.470 -7.690) 9.397 1.266 ( 2.168 -3.021 -2.989) 4.771 1.320 ( 3.305 -6.367 7.506) 10.383 1.383 ( 3.700 -3.219 1.265) 5.065 1.455 ( -0.596 -0.604 -3.203) 3.313 1.461 ( 1.971 -1.099 2.550) 3.405 1.508 ( 4.439 -3.175 -4.396) 7.008 1.528 ( -0.534 -0.990 2.950) 3.157 1.600 ( 2.533 -5.285 3.643) 6.901 1.742 ( 1.156 -1.602 -0.752) 2.114 1.762 ( -0.774 -3.371 -1.169) 3.651 1.812 ( 0.876 0.924 -2.436) 2.749 1.860 ( 2.329 -0.307 0.085) 2.351 1.933 ( 0.859 1.431 0.750) 1.830 2.018 ( 3.613 -4.702 2.871) 6.588 2.099 ( 3.460 4.754 1.269) 6.015 2.154 ( 4.025 -1.029 1.213) 4.328 2.321 ( -0.404 3.495 -8.689) 9.375 2.381 ( 0.945 -1.937 -6.583) 6.927 2.406 ( 0.393 4.514 6.019) 7.534 2.477 ( 1.454 -1.604 6.570) 6.918 2.698 ( 1.565 2.784 -0.098) 3.195 2.735 ( 2.903 -0.741 1.575) 3.385 2.977 ( -2.764 5.375 1.782) 6.301 2.991 ( -1.926 3.731 -2.510) 4.892 3.034 ( 1.477 2.710 -1.115) 3.282 3.094 ( 0.886 1.187 -2.179) 2.635 3.198 ( 0.503 6.248 4.461) 7.694 3.243 ( -0.505 9.699 -3.530) 10.334 3.266 ( 2.964 -0.318 1.110) 3.181 3.303 ( 1.856 10.060 1.343) 10.317 3.355 ( -0.703 7.327 0.157) 7.362 3.437 ( 3.982 6.877 0.810) 7.988 3.561 ( -1.890 -0.389 -1.755) 2.609 3.591 ( -0.132 -9.284 -0.697) 9.311 3.682 ( 0.872 -4.605 2.417) 5.273 3.724 ( 1.734 -4.093 -2.428) 5.065 3.801 ( 0.225 -1.098 -1.475) 1.853 3.852 ( 1.238 -3.519 4.636) 5.950 3.933 ( -6.793 3.218 2.925) 8.066 4.053 ( -5.173 -4.467 0.129) 6.836 4.096 ( 0.873 -3.472 -4.731) 5.933 4.174 ( -0.212 -5.562 -4.524) 7.172 4.215 ( -2.337 -7.076 -1.102) 7.533 4.255 ( -0.880 3.548 1.901) 4.120 4.275 ( -1.125 -3.790 -0.462) 3.980 4.375 ( 2.917 -3.370 -1.962) 4.870 4.435 ( 1.443 2.127 4.442) 5.132 4.499 ( -0.630 -8.821 -0.393) 8.852 4.559 ( 1.117 2.392 4.572) 5.280 4.612 ( 1.509 4.600 -2.576) 5.483 4.694 ( 1.616 -5.455 1.820) 5.974 4.715 ( 5.885 -7.225 3.424) 9.927 4.876 ( -2.992 1.424 -0.416) 3.339 4.960 ( -2.928 -5.321 -0.570) 6.100 5.020 ( 0.713 -0.412 -1.397) 1.622 5.096 ( -1.767 -6.037 1.212) 6.406 5.143 ( 1.885 1.294 -0.548) 2.351 5.161 ( 3.896 -1.409 -0.372) 4.159 5.455 ( 5.381 1.598 -1.244) 5.750 5.489 ( 5.312 -1.264 1.486) 5.659 5.742 ( 0.292 3.559 -2.790) 4.532 5.753 ( 0.959 2.164 -1.455) 2.778 5.907 ( -1.932 5.663 1.930) 6.287 5.938 ( 0.184 3.151 -2.464) 4.004 6.085 ( -1.480 0.731 0.151) 1.658 6.104 ( -1.420 -0.752 0.926) 1.855 6.322 ( -0.727 1.146 -5.198) 5.372 6.335 ( -2.027 0.216 0.825) 2.199 6.457 ( -3.325 1.880 2.438) 4.531 6.479 ( -2.611 -0.370 -0.971) 2.810 6.637 ( -1.244 -0.763 -0.812) 1.670 6.652 ( -1.587 -1.868 2.870) 3.774 6.867 ( -3.202 2.683 0.163) 4.180 6.906 ( -2.103 -1.049 0.478) 2.398 7.222 ( 1.472 1.656 0.392) 2.250 7.244 ( 2.594 -0.402 -0.156) 2.629 7.430 ( -0.777 0.378 0.780) 1.164 7.452 ( 0.143 -1.576 0.918) 1.829 7.609 ( -3.781 1.922 -0.864) 4.329 7.643 ( -2.436 -1.352 0.108) 2.788 7.795 ( -0.839 0.894 1.236) 1.741 7.815 ( -1.291 -0.963 0.582) 1.712 7.862 ( 1.289 0.535 -0.686) 1.555 7.881 ( 0.665 -1.288 -0.091) 1.452 8.004 ( -1.044 0.448 -0.073) 1.138 8.032 ( -1.022 -2.240 -0.141) 2.467 8.103 ( 0.081 0.498 -1.148) 1.254 8.119 ( -0.095 -0.969 -1.542) 1.824 8.258 ( 0.273 0.781 0.819) 1.164 8.267 ( 1.198 -0.028 0.778) 1.429 8.533 ( 1.857 0.797 0.157) 2.026 8.558 ( 2.273 -1.522 0.292) 2.752 8.606 ( -0.372 3.025 -0.793) 3.150 8.612 ( -0.662 2.495 -1.711) 3.097 8.734 ( -3.918 3.207 1.822) 5.381 8.761 ( -2.163 1.206 -0.337) 2.499 8.800 ( 0.256 2.036 0.488) 2.110 8.854 ( 1.200 -2.631 -0.552) 2.944 8.900 ( 2.913 2.449 -0.133) 3.808 8.919 ( 2.513 0.320 0.752) 2.642 8.972 ( -0.237 1.866 0.639) 1.987 8.988 ( 0.795 1.808 0.042) 1.975 9.033 ( -0.158 -0.210 0.416) 0.492 9.048 ( 0.812 1.479 -0.663) 1.813 9.125 ( 0.726 -1.593 0.444) 1.806 9.161 ( 1.767 -3.488 -0.160) 3.913 9.261 ( -3.409 0.175 0.176) 3.418 9.274 ( -3.913 -0.721 -0.525) 4.014 9.344 ( -0.351 3.725 0.194) 3.746 9.394 ( -0.174 0.158 0.870) 0.901 9.477 ( -2.646 0.858 1.754) 3.288 9.486 ( -2.376 0.491 -0.343) 2.450 9.520 ( -4.350 0.293 -0.041) 4.360 9.550 ( -5.385 -2.236 -0.909) 5.901 9.735 ( 0.939 1.056 -1.202) 1.855 9.765 ( 1.937 -2.480 -2.709) 4.152 9.855 ( 0.448 2.984 -0.091) 3.018 9.917 ( 0.128 -3.435 -0.066) 3.438 9.932 ( 0.101 2.986 -1.255) 3.241 9.992 ( 1.087 -2.539 0.807) 2.877 10.079 ( -6.857 -0.116 -0.902) 6.918 10.121 ( -7.442 -3.529 3.794) 9.068 10.340 ( -4.390 0.450 0.511) 4.443 10.358 ( -3.162 -1.654 0.760) 3.649 10.464 ( 0.655 1.854 0.415) 2.010 10.483 ( 1.262 0.346 1.767) 2.199 10.557 ( 2.624 2.299 0.357) 3.507 10.576 ( 1.759 -0.124 0.936) 1.997 10.700 ( -3.527 2.409 0.069) 4.272 10.761 ( -4.881 -3.184 0.017) 5.828 10.816 ( -1.267 2.436 0.364) 2.770 10.867 ( -1.953 -1.536 0.203) 2.493 10.947 ( 5.304 0.326 -5.171) 7.415 10.961 ( 7.737 -1.486 -3.529) 8.633 11.119 ( 8.055 2.402 -0.170) 8.408 11.174 ( 7.460 -2.064 0.781) 7.780 11.273 ( 1.639 3.251 1.021) 3.781 11.288 ( 0.128 1.929 2.297) 3.002 11.384 ( -1.417 4.060 0.391) 4.318 11.454 ( -1.262 -2.109 1.331) 2.795 11.520 ( 0.559 0.572 -0.517) 0.952 11.555 ( 0.153 0.874 2.154) 2.330 11.566 ( 2.264 -1.884 0.612) 3.008 11.624 ( 4.160 -5.849 -0.302) 7.184 11.740 ( -1.148 4.171 -1.025) 4.446 11.756 ( -1.081 2.983 0.234) 3.182 11.852 ( -1.395 1.448 0.669) 2.119 11.898 ( 0.408 -2.487 0.626) 2.597 12.048 ( -2.174 1.129 -1.891) 3.095 12.055 ( -1.644 0.257 -1.651) 2.344 12.177 ( -3.793 -0.197 0.465) 3.826 12.180 ( -3.861 -0.116 2.957) 4.865 12.230 ( -1.331 2.505 -0.023) 2.837 12.265 ( 0.131 -0.524 0.924) 1.071 12.448 ( -7.322 -0.432 0.208) 7.337 12.469 ( -6.720 -2.196 -2.827) 7.614 12.688 ( 0.356 2.533 0.982) 2.740 12.699 ( 2.522 0.825 -3.868) 4.691 12.786 ( -1.012 -3.501 1.080) 3.800 12.837 ( -1.233 -6.872 1.617) 7.167 13.758 ( 4.118 0.341 -0.396) 4.151 13.786 ( 4.388 -2.289 -0.516) 4.976 15.288 ( 1.502 0.106 -0.003) 1.506 15.292 ( 1.624 -0.243 0.080) 1.645 ======================= Grid point 84 (41/42) ======================= q-point: ( 0.33 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 3.933 4.718 -4.763) 7.772 1.054 ( -3.426 -11.735 0.768) 12.249 1.181 ( 6.066 5.010 0.429) 7.879 1.254 ( 4.774 -1.934 -5.278) 7.375 1.327 ( 2.582 3.081 -4.320) 5.901 1.376 ( -3.016 0.120 2.795) 4.114 1.421 ( 0.025 0.150 2.953) 2.957 1.468 ( 0.867 1.317 6.444) 6.634 1.479 ( 4.001 -10.060 -2.028) 11.014 1.563 ( 2.540 -5.582 3.082) 6.863 1.603 ( 2.152 0.814 -0.147) 2.306 1.665 ( 0.251 -1.524 0.772) 1.727 1.732 ( 3.579 1.466 -4.941) 6.275 1.772 ( 1.476 -1.934 -0.580) 2.501 1.845 ( 1.923 -3.019 1.012) 3.720 1.888 ( -0.264 -5.643 -1.472) 5.837 1.987 ( 3.911 4.843 3.871) 7.330 2.119 ( 5.236 -5.465 1.768) 7.772 2.179 ( 0.407 4.402 0.320) 4.433 2.204 ( 2.113 3.666 -3.523) 5.506 2.335 ( 4.248 2.501 -3.349) 5.959 2.385 ( 1.071 -3.343 -6.143) 7.075 2.421 ( -0.711 5.299 5.356) 7.568 2.487 ( -1.657 -0.960 2.064) 2.816 2.744 ( 1.989 4.146 -0.437) 4.619 2.806 ( 2.661 -1.836 1.195) 3.447 2.878 ( -4.694 6.717 1.225) 8.286 2.950 ( -2.474 1.638 0.133) 2.970 3.091 ( 0.824 0.014 0.679) 1.068 3.103 ( 4.212 3.898 1.220) 5.868 3.209 ( -2.089 16.901 -3.352) 17.356 3.258 ( 3.562 1.496 5.933) 7.080 3.330 ( 0.378 10.152 -4.376) 11.062 3.357 ( 2.417 2.000 -0.226) 3.145 3.370 ( 4.591 0.353 1.992) 5.017 3.507 ( 1.950 6.418 -4.213) 7.921 3.523 ( -1.565 1.016 2.008) 2.741 3.584 ( -0.558 -6.688 0.135) 6.713 3.705 ( 0.048 -6.390 2.462) 6.848 3.719 ( -0.925 -0.380 -0.485) 1.111 3.826 ( -0.157 -7.487 1.420) 7.622 3.851 ( -2.156 5.165 2.579) 6.162 3.882 ( 2.551 -1.929 0.479) 3.234 3.965 ( -0.007 -2.579 -4.954) 5.585 4.078 ( -2.084 -9.924 -3.073) 10.596 4.134 ( -1.764 -3.252 -1.124) 3.866 4.203 ( -2.183 -4.254 -1.821) 5.116 4.216 ( -1.402 3.971 1.786) 4.574 4.245 ( -0.071 -4.954 -0.995) 5.054 4.424 ( 3.674 -4.586 -1.019) 5.965 4.441 ( -5.935 -6.303 3.912) 9.500 4.509 ( 1.231 -2.395 -3.434) 4.364 4.568 ( 1.996 0.050 5.625) 5.968 4.633 ( -0.507 -2.540 2.118) 3.345 4.691 ( -0.790 -0.136 -1.457) 1.663 4.793 ( 0.011 -5.164 -4.038) 6.555 4.848 ( 0.274 1.282 4.274) 4.471 4.942 ( -1.388 -5.003 2.686) 5.845 5.023 ( 1.469 -0.045 2.128) 2.586 5.081 ( 0.972 -3.681 -1.492) 4.089 5.257 ( 8.116 1.323 -0.506) 8.239 5.290 ( 7.831 -2.488 2.620) 8.624 5.544 ( 2.906 3.464 -3.487) 5.710 5.583 ( 2.924 -0.242 -1.101) 3.134 5.736 ( 0.197 4.490 0.292) 4.504 5.778 ( 1.585 1.606 -0.679) 2.356 5.863 ( -2.301 4.132 -1.095) 4.855 5.915 ( -2.255 0.012 -2.506) 3.371 6.052 ( -1.683 1.290 -0.176) 2.128 6.067 ( -1.858 0.521 -0.222) 1.942 6.278 ( -2.113 2.177 -0.432) 3.064 6.294 ( -0.903 0.938 -5.827) 5.971 6.399 ( -2.533 2.259 3.197) 4.663 6.429 ( -2.260 -0.513 1.323) 2.668 6.585 ( -3.253 -1.190 -0.896) 3.578 6.595 ( -4.394 -1.776 4.218) 6.345 6.815 ( -1.485 2.639 0.453) 3.062 6.852 ( -2.604 -1.012 -0.566) 2.851 7.259 ( 1.851 1.568 0.562) 2.491 7.291 ( 1.531 -1.545 -0.122) 2.178 7.427 ( 0.086 1.302 2.037) 2.419 7.454 ( -0.400 -1.323 0.631) 1.520 7.551 ( -0.934 1.814 -0.806) 2.194 7.598 ( -1.674 -2.666 -1.358) 3.429 7.778 ( -1.221 0.546 1.548) 2.045 7.780 ( -1.803 0.298 1.910) 2.643 7.913 ( 2.763 -0.170 -0.554) 2.823 7.916 ( 3.490 -0.409 -0.779) 3.599 7.984 ( -0.834 -0.119 -0.598) 1.034 7.994 ( -1.409 -1.162 -0.372) 1.864 8.087 ( -1.823 0.853 -1.669) 2.614 8.099 ( -1.745 -0.342 -1.686) 2.450 8.290 ( 3.206 1.207 0.957) 3.557 8.318 ( 3.677 -1.525 1.205) 4.159 8.536 ( -3.953 2.904 0.028) 4.905 8.547 ( -3.568 2.036 -0.701) 4.167 8.607 ( 1.813 1.487 -1.640) 2.861 8.617 ( 1.385 0.676 -2.773) 3.173 8.656 ( -3.290 1.757 3.251) 4.948 8.687 ( -4.228 -0.564 1.713) 4.596 8.826 ( 1.819 3.229 1.179) 3.889 8.879 ( 0.446 -0.948 -0.695) 1.257 8.910 ( -1.064 2.609 -0.108) 2.819 8.951 ( -2.208 -0.455 0.126) 2.258 8.977 ( 2.620 0.574 1.003) 2.863 9.017 ( 2.161 -2.547 -0.269) 3.351 9.074 ( 3.703 2.037 0.001) 4.227 9.107 ( 5.329 0.225 -1.129) 5.452 9.144 ( -0.972 1.038 0.847) 1.655 9.191 ( -1.889 -2.468 -0.210) 3.115 9.227 ( 4.350 0.457 -0.523) 4.405 9.259 ( 4.135 -2.167 0.145) 4.671 9.342 ( -0.418 2.196 0.609) 2.316 9.369 ( -2.826 3.482 -1.182) 4.637 9.382 ( -5.469 -0.437 0.299) 5.494 9.385 ( -4.077 0.310 1.313) 4.294 9.454 ( -3.447 -1.420 0.269) 3.737 9.478 ( -2.029 -2.706 -0.880) 3.494 9.654 ( -8.234 0.427 -0.137) 8.246 9.696 ( -8.327 -3.154 -1.417) 9.016 9.893 ( 2.102 2.822 0.956) 3.647 9.903 ( -0.273 2.803 -1.370) 3.132 9.925 ( -0.062 0.035 -0.283) 0.292 9.954 ( -3.571 -2.195 -1.377) 4.412 10.029 ( 0.944 -1.925 1.572) 2.659 10.050 ( 0.268 -3.353 1.317) 3.612 10.267 ( -2.357 1.630 0.310) 2.883 10.295 ( -2.638 -1.305 0.043) 2.943 10.494 ( 1.942 2.699 0.202) 3.331 10.519 ( 1.229 0.593 1.172) 1.798 10.587 ( 1.071 3.711 1.491) 4.141 10.620 ( 1.443 2.281 -1.198) 2.953 10.674 ( 0.439 0.599 0.116) 0.751 10.718 ( -0.132 -2.835 1.208) 3.084 10.752 ( -4.285 1.356 1.710) 4.809 10.805 ( -3.802 -3.250 -0.224) 5.006 11.067 ( 7.418 2.708 -6.376) 10.150 11.125 ( 8.085 -2.543 -3.280) 9.088 11.223 ( 2.544 3.285 -0.629) 4.202 11.252 ( 0.754 0.760 -0.002) 1.071 11.314 ( 1.743 2.637 2.163) 3.830 11.357 ( 3.473 0.713 4.205) 5.500 11.381 ( 0.324 2.571 -0.049) 2.592 11.429 ( -1.781 -2.497 3.941) 4.994 11.495 ( -2.292 0.683 1.452) 2.798 11.524 ( -1.089 0.238 -1.506) 1.874 11.644 ( 3.042 1.192 -1.722) 3.693 11.698 ( 0.789 -4.851 -3.197) 5.863 11.728 ( 0.319 4.477 2.249) 5.020 11.750 ( 1.116 2.091 5.186) 5.702 11.825 ( -0.501 0.995 -0.979) 1.483 11.894 ( -1.088 -4.835 1.832) 5.284 11.995 ( -2.260 1.004 -3.339) 4.155 12.014 ( -1.903 -0.307 0.346) 1.958 12.071 ( -5.166 -0.074 -0.435) 5.185 12.091 ( -3.955 -1.499 0.155) 4.233 12.214 ( -0.439 1.694 -0.041) 1.751 12.270 ( -0.202 -2.826 0.529) 2.882 12.307 ( -5.276 0.261 -1.468) 5.483 12.343 ( -4.553 -2.282 -1.300) 5.256 12.696 ( 0.521 2.797 0.837) 2.966 12.724 ( 0.695 1.201 -4.061) 4.292 12.785 ( 0.804 -2.287 -1.405) 2.802 12.814 ( -1.353 -4.161 4.166) 6.042 13.843 ( 3.471 -0.766 -0.261) 3.564 13.862 ( 2.640 -2.503 -0.317) 3.651 15.323 ( 1.639 0.050 -0.035) 1.641 15.327 ( 1.521 -0.357 0.108) 1.566 ======================= Grid point 85 (42/42) ======================= q-point: ( 0.50 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-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 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: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( 5.236 -3.984 -2.568) 7.062 0.970 ( -5.236 -3.984 2.568) 7.063 1.293 ( 1.087 -0.412 -8.220) 8.302 1.293 ( -1.087 -0.412 8.220) 8.302 1.323 ( 1.814 -0.228 -9.006) 9.190 1.323 ( -1.814 -0.228 9.006) 9.190 1.445 ( -2.069 1.446 -1.632) 3.006 1.445 ( 2.069 1.446 1.632) 3.006 1.574 ( -2.961 -1.970 -2.232) 4.199 1.574 ( 2.961 -1.970 2.232) 4.199 1.628 ( -1.225 -4.111 -2.590) 5.011 1.628 ( 1.225 -4.111 2.590) 5.011 1.796 ( 0.701 -0.241 -2.295) 2.411 1.796 ( -0.701 -0.241 2.295) 2.411 1.874 ( -0.261 -5.940 -1.821) 6.219 1.874 ( 0.261 -5.940 1.821) 6.219 2.094 ( -4.906 7.257 -4.483) 9.840 2.094 ( 4.906 7.257 4.483) 9.840 2.214 ( -2.545 -2.936 -2.105) 4.419 2.214 ( 2.545 -2.936 2.105) 4.419 2.402 ( 2.001 2.991 -4.351) 5.646 2.402 ( -2.001 2.991 4.351) 5.646 2.428 ( -1.262 0.781 -3.154) 3.486 2.428 ( 1.262 0.781 3.154) 3.486 2.776 ( 1.316 3.192 -3.384) 4.835 2.776 ( -1.316 3.192 3.384) 4.835 2.895 ( 0.610 -2.352 -3.699) 4.426 2.895 ( -0.610 -2.352 3.699) 4.426 3.129 ( -3.020 13.179 -4.680) 14.308 3.129 ( 3.020 13.179 4.680) 14.308 3.249 ( -6.933 7.476 -4.155) 11.010 3.249 ( 6.933 7.476 4.155) 11.010 3.341 ( -1.169 -1.195 -7.675) 7.855 3.341 ( 1.169 -1.195 7.675) 7.855 3.484 ( -2.481 2.870 -2.258) 4.415 3.484 ( 2.481 2.870 2.258) 4.415 3.550 ( 1.790 0.133 -2.120) 2.778 3.550 ( -1.790 0.133 2.120) 2.778 3.702 ( 3.338 -8.671 -3.322) 9.867 3.702 ( -3.338 -8.671 3.322) 9.867 3.811 ( 0.112 2.377 -2.968) 3.804 3.811 ( -0.112 2.377 2.968) 3.804 4.001 ( 2.740 -3.641 -1.144) 4.698 4.001 ( -2.740 -3.641 1.144) 4.698 4.032 ( -0.208 -0.119 -2.001) 2.015 4.032 ( 0.208 -0.119 2.001) 2.015 4.194 ( -2.141 -3.158 -0.187) 3.820 4.194 ( 2.141 -3.158 0.187) 3.820 4.304 ( 5.364 -5.887 -3.536) 8.714 4.304 ( -5.364 -5.887 3.536) 8.714 4.496 ( -1.661 -10.201 -4.136) 11.132 4.496 ( 1.661 -10.201 4.136) 11.132 4.608 ( 0.019 1.514 -3.679) 3.979 4.608 ( -0.019 1.514 3.679) 3.979 4.727 ( -4.039 0.609 -3.360) 5.290 4.727 ( 4.039 0.609 3.360) 5.290 4.896 ( 0.703 -3.102 -1.498) 3.515 4.896 ( -0.703 -3.102 1.498) 3.515 5.074 ( -1.185 -1.719 -3.232) 3.848 5.074 ( 1.185 -1.719 3.232) 3.848 5.393 ( 0.033 -0.212 -1.720) 1.733 5.393 ( -0.033 -0.212 1.720) 1.733 5.568 ( 0.430 4.191 -2.654) 4.980 5.568 ( -0.430 4.191 2.654) 4.980 5.788 ( -2.615 3.118 -4.848) 6.330 5.788 ( 2.615 3.118 4.848) 6.330 5.839 ( -2.092 -2.399 -3.607) 4.811 5.839 ( 2.092 -2.399 3.607) 4.811 6.039 ( 0.714 1.986 -1.695) 2.707 6.039 ( -0.714 1.986 1.695) 2.707 6.266 ( 0.088 2.139 -3.790) 4.353 6.266 ( -0.088 2.139 3.790) 4.353 6.391 ( 0.125 2.052 -3.796) 4.317 6.391 ( -0.125 2.052 3.796) 4.317 6.543 ( 0.620 -2.353 -3.011) 3.872 6.543 ( -0.620 -2.353 3.011) 3.872 6.813 ( -0.761 0.724 -1.481) 1.816 6.813 ( 0.761 0.724 1.481) 1.816 7.293 ( -0.393 -0.229 -1.116) 1.205 7.293 ( 0.393 -0.229 1.116) 1.205 7.440 ( -0.359 1.059 -2.123) 2.400 7.440 ( 0.359 1.059 2.123) 2.400 7.564 ( -1.373 -1.549 -1.160) 2.373 7.564 ( 1.373 -1.549 1.160) 2.373 7.764 ( 0.142 0.356 -0.677) 0.778 7.764 ( -0.142 0.356 0.677) 0.778 7.948 ( -1.032 -0.012 -0.480) 1.139 7.948 ( 1.032 -0.012 0.480) 1.139 8.009 ( -3.055 0.333 -1.197) 3.298 8.009 ( 3.055 0.333 1.197) 3.298 8.038 ( -2.683 -0.617 -0.383) 2.780 8.038 ( 2.683 -0.617 0.383) 2.780 8.389 ( -3.914 0.681 -0.683) 4.031 8.389 ( 3.914 0.681 0.683) 4.031 8.446 ( -3.774 1.488 -0.062) 4.057 8.446 ( 3.774 1.488 0.062) 4.057 8.625 ( 0.863 1.802 -2.370) 3.100 8.625 ( -0.863 1.802 2.370) 3.100 8.641 ( 1.322 -0.227 -2.182) 2.562 8.641 ( -1.322 -0.227 2.182) 2.562 8.863 ( -0.691 2.801 -0.856) 3.009 8.863 ( 0.691 2.801 0.856) 3.009 8.909 ( -0.169 -0.335 -1.388) 1.438 8.909 ( 0.169 -0.335 1.388) 1.438 9.027 ( -1.308 -1.992 -0.446) 2.424 9.027 ( 1.308 -1.992 0.446) 2.424 9.122 ( -0.091 0.745 -0.370) 0.836 9.122 ( 0.091 0.745 0.370) 0.836 9.207 ( -1.957 -0.463 -0.456) 2.062 9.207 ( 1.957 -0.463 0.456) 2.062 9.257 ( -2.156 1.879 -1.328) 3.154 9.257 ( 2.156 1.879 1.328) 3.154 9.331 ( -0.465 2.036 -2.335) 3.133 9.331 ( 0.465 2.036 2.335) 3.133 9.372 ( -0.757 -1.351 -2.422) 2.874 9.372 ( 0.757 -1.351 2.422) 2.874 9.464 ( -7.230 -0.358 0.091) 7.239 9.464 ( 7.230 -0.358 -0.091) 7.239 9.510 ( -6.859 -3.403 0.298) 7.663 9.510 ( 6.859 -3.403 -0.298) 7.663 9.905 ( -0.162 0.584 -1.262) 1.400 9.905 ( 0.162 0.584 1.262) 1.400 9.929 ( 0.265 2.053 -2.164) 2.994 9.929 ( -0.265 2.053 2.164) 2.994 10.052 ( -0.630 -2.861 -0.418) 2.959 10.052 ( 0.630 -2.861 0.418) 2.959 10.257 ( -0.849 0.359 -0.424) 1.015 10.257 ( 0.849 0.359 0.424) 1.015 10.528 ( 0.216 2.123 -1.317) 2.507 10.528 ( -0.216 2.123 1.317) 2.507 10.616 ( -0.802 4.439 -2.619) 5.216 10.616 ( 0.802 4.439 2.619) 5.216 10.691 ( 1.093 -0.040 -1.173) 1.604 10.691 ( -1.093 -0.040 1.173) 1.604 10.742 ( -1.715 -4.157 -1.756) 4.827 10.742 ( 1.715 -4.157 1.756) 4.827 11.190 ( 5.019 4.180 -5.115) 8.296 11.190 ( -5.019 4.180 5.115) 8.296 11.245 ( 2.531 -0.640 -2.963) 3.949 11.245 ( -2.531 -0.640 2.963) 3.949 11.347 ( -2.445 0.742 -0.841) 2.690 11.347 ( 2.445 0.742 0.841) 2.690 11.410 ( -0.038 -2.299 -0.718) 2.409 11.410 ( 0.038 -2.299 0.718) 2.409 11.495 ( -1.448 3.719 -2.952) 4.963 11.495 ( 1.448 3.719 2.952) 4.963 11.676 ( 0.690 -1.405 -2.398) 2.864 11.676 ( -0.690 -1.405 2.398) 2.864 11.752 ( 1.127 5.261 -0.749) 5.432 11.752 ( -1.127 5.261 0.749) 5.432 11.865 ( 0.929 -5.408 -2.482) 6.023 11.865 ( -0.929 -5.408 2.482) 6.023 11.969 ( -1.141 0.148 -2.712) 2.946 11.969 ( 1.141 0.148 2.712) 2.946 12.036 ( 0.630 -0.455 -2.286) 2.414 12.036 ( -0.630 -0.455 2.286) 2.414 12.226 ( -1.925 -0.733 -0.621) 2.151 12.226 ( 1.925 -0.733 0.621) 2.151 12.283 ( -1.172 -1.773 -0.396) 2.162 12.283 ( 1.172 -1.773 0.396) 2.162 12.714 ( 0.217 2.660 -4.724) 5.425 12.714 ( -0.217 2.660 4.724) 5.425 12.800 ( 1.186 -3.218 -6.287) 7.161 12.800 ( -1.186 -3.218 6.287) 7.161 13.884 ( -0.437 -1.681 -0.072) 1.739 13.884 ( 0.437 -1.681 0.072) 1.739 15.343 ( 0.137 -0.197 -0.079) 0.252 15.343 ( -0.137 -0.197 0.079) 0.252 =================== 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 3/20160 10.0 73.492 52.468 93.181 0.000 7.045 0.000 3/20160 20.0 17.275 15.898 30.469 0.000 0.202 0.000 3/20160 30.0 8.531 9.149 16.078 0.000 -0.033 0.000 3/20160 40.0 5.395 6.394 10.364 0.000 -0.040 0.000 3/20160 50.0 3.841 4.878 7.435 0.000 -0.033 0.000 3/20160 60.0 2.930 3.906 5.692 0.000 -0.026 0.000 3/20160 70.0 2.338 3.228 4.553 0.000 -0.021 0.000 3/20160 80.0 1.928 2.731 3.758 0.000 -0.017 0.000 3/20160 90.0 1.630 2.354 3.178 0.000 -0.014 0.000 3/20160 100.0 1.406 2.061 2.741 0.000 -0.012 0.000 3/20160 110.0 1.234 1.829 2.403 0.000 -0.010 0.000 3/20160 120.0 1.097 1.641 2.135 0.000 -0.009 0.000 3/20160 130.0 0.987 1.487 1.918 0.000 -0.008 0.000 3/20160 140.0 0.897 1.359 1.740 0.000 -0.007 0.000 3/20160 150.0 0.822 1.250 1.592 0.000 -0.007 0.000 3/20160 160.0 0.759 1.158 1.466 0.000 -0.006 0.000 3/20160 170.0 0.705 1.078 1.359 0.000 -0.006 0.000 3/20160 180.0 0.658 1.009 1.267 0.000 -0.006 0.000 3/20160 190.0 0.617 0.948 1.186 0.000 -0.005 0.000 3/20160 200.0 0.582 0.894 1.116 0.000 -0.005 0.000 3/20160 210.0 0.550 0.846 1.053 0.000 -0.005 0.000 3/20160 220.0 0.521 0.803 0.997 0.000 -0.005 0.000 3/20160 230.0 0.496 0.765 0.947 0.000 -0.004 0.000 3/20160 240.0 0.473 0.729 0.902 0.000 -0.004 0.000 3/20160 250.0 0.452 0.697 0.861 0.000 -0.004 0.000 3/20160 260.0 0.433 0.668 0.823 0.000 -0.004 0.000 3/20160 270.0 0.415 0.641 0.789 0.000 -0.004 0.000 3/20160 280.0 0.399 0.617 0.758 0.000 -0.004 0.000 3/20160 290.0 0.384 0.594 0.729 0.000 -0.004 0.000 3/20160 300.0 0.370 0.573 0.702 0.000 -0.003 0.000 3/20160 310.0 0.358 0.553 0.678 0.000 -0.003 0.000 3/20160 320.0 0.346 0.535 0.655 0.000 -0.003 0.000 3/20160 330.0 0.335 0.518 0.633 0.000 -0.003 0.000 3/20160 340.0 0.324 0.502 0.613 0.000 -0.003 0.000 3/20160 350.0 0.314 0.487 0.594 0.000 -0.003 0.000 3/20160 360.0 0.305 0.472 0.577 0.000 -0.003 0.000 3/20160 370.0 0.297 0.459 0.560 0.000 -0.003 0.000 3/20160 380.0 0.289 0.447 0.544 0.000 -0.003 0.000 3/20160 390.0 0.281 0.435 0.529 0.000 -0.003 0.000 3/20160 400.0 0.274 0.423 0.515 0.000 -0.003 0.000 3/20160 410.0 0.267 0.413 0.502 0.000 -0.003 0.000 3/20160 420.0 0.260 0.402 0.490 0.000 -0.003 0.000 3/20160 430.0 0.254 0.393 0.478 0.000 -0.002 0.000 3/20160 440.0 0.248 0.384 0.466 0.000 -0.002 0.000 3/20160 450.0 0.242 0.375 0.455 0.000 -0.002 0.000 3/20160 460.0 0.237 0.366 0.445 0.000 -0.002 0.000 3/20160 470.0 0.232 0.358 0.435 0.000 -0.002 0.000 3/20160 480.0 0.227 0.351 0.426 0.000 -0.002 0.000 3/20160 490.0 0.222 0.343 0.417 0.000 -0.002 0.000 3/20160 500.0 0.217 0.336 0.408 0.000 -0.002 0.000 3/20160 510.0 0.213 0.330 0.400 0.000 -0.002 0.000 3/20160 520.0 0.209 0.323 0.392 0.000 -0.002 0.000 3/20160 530.0 0.205 0.317 0.384 0.000 -0.002 0.000 3/20160 540.0 0.201 0.311 0.377 0.000 -0.002 0.000 3/20160 550.0 0.197 0.305 0.370 0.000 -0.002 0.000 3/20160 560.0 0.194 0.300 0.363 0.000 -0.002 0.000 3/20160 570.0 0.190 0.294 0.357 0.000 -0.002 0.000 3/20160 580.0 0.187 0.289 0.350 0.000 -0.002 0.000 3/20160 590.0 0.184 0.284 0.344 0.000 -0.002 0.000 3/20160 600.0 0.180 0.279 0.338 0.000 -0.002 0.000 3/20160 610.0 0.177 0.275 0.333 0.000 -0.002 0.000 3/20160 620.0 0.175 0.270 0.327 0.000 -0.002 0.000 3/20160 630.0 0.172 0.266 0.322 0.000 -0.002 0.000 3/20160 640.0 0.169 0.262 0.317 0.000 -0.002 0.000 3/20160 650.0 0.166 0.258 0.312 0.000 -0.002 0.000 3/20160 660.0 0.164 0.254 0.307 0.000 -0.002 0.000 3/20160 670.0 0.161 0.250 0.302 0.000 -0.002 0.000 3/20160 680.0 0.159 0.246 0.298 0.000 -0.002 0.000 3/20160 690.0 0.157 0.242 0.293 0.000 -0.002 0.000 3/20160 700.0 0.154 0.239 0.289 0.000 -0.002 0.000 3/20160 710.0 0.152 0.236 0.285 0.000 -0.002 0.000 3/20160 720.0 0.150 0.232 0.281 0.000 -0.002 0.000 3/20160 730.0 0.148 0.229 0.277 0.000 -0.002 0.000 3/20160 740.0 0.146 0.226 0.273 0.000 -0.001 0.000 3/20160 750.0 0.144 0.223 0.269 0.000 -0.001 0.000 3/20160 760.0 0.142 0.220 0.266 0.000 -0.001 0.000 3/20160 770.0 0.140 0.217 0.262 0.000 -0.001 0.000 3/20160 780.0 0.138 0.214 0.259 0.000 -0.001 0.000 3/20160 790.0 0.137 0.211 0.256 0.000 -0.001 0.000 3/20160 800.0 0.135 0.209 0.252 0.000 -0.001 0.000 3/20160 810.0 0.133 0.206 0.249 0.000 -0.001 0.000 3/20160 820.0 0.132 0.204 0.246 0.000 -0.001 0.000 3/20160 830.0 0.130 0.201 0.243 0.000 -0.001 0.000 3/20160 840.0 0.128 0.199 0.240 0.000 -0.001 0.000 3/20160 850.0 0.127 0.196 0.237 0.000 -0.001 0.000 3/20160 860.0 0.125 0.194 0.235 0.000 -0.001 0.000 3/20160 870.0 0.124 0.192 0.232 0.000 -0.001 0.000 3/20160 880.0 0.123 0.190 0.229 0.000 -0.001 0.000 3/20160 890.0 0.121 0.188 0.227 0.000 -0.001 0.000 3/20160 900.0 0.120 0.185 0.224 0.000 -0.001 0.000 3/20160 910.0 0.119 0.183 0.221 0.000 -0.001 0.000 3/20160 920.0 0.117 0.181 0.219 0.000 -0.001 0.000 3/20160 930.0 0.116 0.179 0.217 0.000 -0.001 0.000 3/20160 940.0 0.115 0.178 0.214 0.000 -0.001 0.000 3/20160 950.0 0.114 0.176 0.212 0.000 -0.001 0.000 3/20160 960.0 0.112 0.174 0.210 0.000 -0.001 0.000 3/20160 970.0 0.111 0.172 0.208 0.000 -0.001 0.000 3/20160 980.0 0.110 0.170 0.206 0.000 -0.001 0.000 3/20160 990.0 0.109 0.169 0.203 0.000 -0.001 0.000 3/20160 1000.0 0.108 0.167 0.201 0.000 -0.001 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m654.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:22:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|