----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 01:11:04]------------------------- Compiled with OpenMP support (max 32 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 7.332767100176175 0.000000000000000 0.000000000000000 b 0.000000000000000 10.068719950000000 0.000000000000000 c -0.216306456514335 0.000000000000000 10.390588560835157 Atomic positions (fractional): *1 O 0.15827695707603 0.60929568991712 0.98283204204998 15.999 2 O 0.84172304292397 0.10929568991712 0.51716795795002 15.999 3 O 0.84172304292397 0.39070431008288 0.01716795795001 15.999 4 O 0.15827695707603 0.89070431008288 0.48283204204998 15.999 *5 O 0.59103032575111 0.88258557267583 0.50954574749009 15.999 6 O 0.40896967424889 0.38258557267583 0.99045425250991 15.999 7 O 0.40896967424889 0.11741442732417 0.49045425250990 15.999 8 O 0.59103032575111 0.61741442732417 0.00954574749009 15.999 *9 O 0.88005478716506 0.82968333315983 0.95656346587910 15.999 10 O 0.11994521283494 0.32968333315983 0.54343653412090 15.999 11 O 0.11994521283494 0.17031666684017 0.04343653412090 15.999 12 O 0.88005478716506 0.67031666684017 0.45656346587910 15.999 *13 O 0.80196970575220 0.00234020466515 0.76419490337140 15.999 14 O 0.19803029424780 0.50234020466516 0.73580509662860 15.999 *15 O 0.64587498328045 0.10764162068619 0.03115437564318 15.999 16 O 0.19803029424780 0.99765979533484 0.23580509662860 15.999 *17 O 0.85260685305994 0.76849463174147 0.22008939269814 15.999 18 O 0.14739314694006 0.26849463174147 0.27991060730186 15.999 19 O 0.14739314694006 0.23150536825853 0.77991060730186 15.999 20 O 0.85260685305994 0.73150536825853 0.72008939269814 15.999 *21 O 0.60166986793758 0.23132370565145 0.73979544242795 15.999 22 O 0.39833013206242 0.73132370565145 0.76020455757205 15.999 23 O 0.39833013206242 0.76867629434855 0.26020455757205 15.999 24 O 0.60166986793758 0.26867629434855 0.23979544242795 15.999 *25 O 0.11587438357664 0.60766019720471 0.26743227045542 15.999 26 O 0.88412561642336 0.10766019720471 0.23256772954458 15.999 27 O 0.88412561642336 0.39233980279529 0.73256772954459 15.999 28 O 0.11587438357664 0.89233980279529 0.76743227045541 15.999 *29 O 0.58583043366775 0.99544843060654 0.25865927547063 15.999 30 O 0.41416956633225 0.49544843060654 0.24134072452937 15.999 31 O 0.41416956633225 0.00455156939346 0.74134072452937 15.999 32 O 0.58583043366775 0.50455156939346 0.75865927547063 15.999 33 O 0.64587498328045 0.39235837931381 0.53115437564318 15.999 34 O 0.35412501671955 0.89235837931381 0.96884562435682 15.999 35 O 0.35412501671955 0.60764162068619 0.46884562435682 15.999 36 O 0.80196970575220 0.49765979533485 0.26419490337140 15.999 *37 Si 0.89924162350599 0.86293758208756 0.80543045856646 28.085 38 Si 0.10075837649401 0.36293758208756 0.69456954143354 28.085 39 Si 0.10075837649401 0.13706241791244 0.19456954143354 28.085 40 Si 0.89924162350599 0.63706241791244 0.30543045856646 28.085 *41 Si 0.33247465358953 0.87526918765529 0.81558767282335 28.085 42 Si 0.66752534641047 0.37526918765529 0.68441232717665 28.085 43 Si 0.66752534641047 0.12473081234471 0.18441232717665 28.085 44 Si 0.33247465358953 0.62473081234471 0.31558767282335 28.085 *45 Ca 0.13706112799064 0.07993774771531 0.61023263075682 40.078 46 Ca 0.86293887200936 0.57993774771531 0.88976736924318 40.078 47 Ca 0.86293887200936 0.92006225228469 0.38976736924318 40.078 48 Ca 0.13706112799064 0.42006225228469 0.11023263075682 40.078 *49 Ca 0.61843729993572 0.66571034471790 0.58384474666929 40.078 50 Ca 0.38156270006428 0.16571034471790 0.91615525333071 40.078 51 Ca 0.38156270006428 0.33428965528210 0.41615525333071 40.078 52 Ca 0.61843729993572 0.83428965528210 0.08384474666929 40.078 *53 Ca 0.12718021299177 0.69636119313881 0.59699859662934 40.078 54 Ca 0.87281978700823 0.19636119313881 0.90300140337066 40.078 55 Ca 0.87281978700823 0.30363880686119 0.40300140337066 40.078 56 Ca 0.12718021299177 0.80363880686119 0.09699859662934 40.078 *57 Sn 0.61980573919082 0.44038686846653 0.11758273732443 118.710 58 Sn 0.38019426080918 0.94038686846653 0.38241726267557 118.710 59 Sn 0.38019426080918 0.55961313153347 0.88241726267557 118.710 60 Sn 0.61980573919082 0.05961313153347 0.61758273732443 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.332767100176175 0.000000000000000 0.000000000000000 b 0.000000000000000 10.068719950000000 0.000000000000000 c -0.216306456514335 0.000000000000000 10.390588560835157 Atomic positions (fractional): *1 O 0.15827695707603 0.60929568991712 0.98283204204998 15.999 > 1 2 O 0.84172304292397 0.10929568991712 0.51716795795002 15.999 > 2 3 O 0.84172304292397 0.39070431008288 0.01716795795001 15.999 > 3 4 O 0.15827695707603 0.89070431008288 0.48283204204998 15.999 > 4 *5 O 0.59103032575111 0.88258557267583 0.50954574749009 15.999 > 5 6 O 0.40896967424889 0.38258557267583 0.99045425250991 15.999 > 6 7 O 0.40896967424889 0.11741442732417 0.49045425250990 15.999 > 7 8 O 0.59103032575111 0.61741442732417 0.00954574749009 15.999 > 8 *9 O 0.88005478716506 0.82968333315983 0.95656346587910 15.999 > 9 10 O 0.11994521283494 0.32968333315983 0.54343653412090 15.999 > 10 11 O 0.11994521283494 0.17031666684017 0.04343653412090 15.999 > 11 12 O 0.88005478716506 0.67031666684017 0.45656346587910 15.999 > 12 *13 O 0.80196970575220 0.00234020466515 0.76419490337140 15.999 > 13 14 O 0.19803029424780 0.50234020466516 0.73580509662860 15.999 > 14 *15 O 0.64587498328045 0.10764162068619 0.03115437564318 15.999 > 15 16 O 0.19803029424780 0.99765979533484 0.23580509662860 15.999 > 16 *17 O 0.85260685305994 0.76849463174147 0.22008939269814 15.999 > 17 18 O 0.14739314694006 0.26849463174147 0.27991060730186 15.999 > 18 19 O 0.14739314694006 0.23150536825853 0.77991060730186 15.999 > 19 20 O 0.85260685305994 0.73150536825853 0.72008939269814 15.999 > 20 *21 O 0.60166986793758 0.23132370565145 0.73979544242795 15.999 > 21 22 O 0.39833013206242 0.73132370565145 0.76020455757205 15.999 > 22 23 O 0.39833013206242 0.76867629434855 0.26020455757205 15.999 > 23 24 O 0.60166986793758 0.26867629434855 0.23979544242795 15.999 > 24 *25 O 0.11587438357664 0.60766019720471 0.26743227045542 15.999 > 25 26 O 0.88412561642336 0.10766019720471 0.23256772954458 15.999 > 26 27 O 0.88412561642336 0.39233980279529 0.73256772954459 15.999 > 27 28 O 0.11587438357664 0.89233980279529 0.76743227045541 15.999 > 28 *29 O 0.58583043366775 0.99544843060654 0.25865927547063 15.999 > 29 30 O 0.41416956633225 0.49544843060654 0.24134072452937 15.999 > 30 31 O 0.41416956633225 0.00455156939346 0.74134072452937 15.999 > 31 32 O 0.58583043366775 0.50455156939346 0.75865927547063 15.999 > 32 33 O 0.64587498328045 0.39235837931381 0.53115437564318 15.999 > 33 34 O 0.35412501671955 0.89235837931381 0.96884562435682 15.999 > 34 35 O 0.35412501671955 0.60764162068619 0.46884562435682 15.999 > 35 36 O 0.80196970575220 0.49765979533485 0.26419490337140 15.999 > 36 *37 Si 0.89924162350599 0.86293758208756 0.80543045856646 28.085 > 37 38 Si 0.10075837649401 0.36293758208756 0.69456954143354 28.085 > 38 39 Si 0.10075837649401 0.13706241791244 0.19456954143354 28.085 > 39 40 Si 0.89924162350599 0.63706241791244 0.30543045856646 28.085 > 40 *41 Si 0.33247465358953 0.87526918765529 0.81558767282335 28.085 > 41 42 Si 0.66752534641047 0.37526918765529 0.68441232717665 28.085 > 42 43 Si 0.66752534641047 0.12473081234471 0.18441232717665 28.085 > 43 44 Si 0.33247465358953 0.62473081234471 0.31558767282335 28.085 > 44 *45 Ca 0.13706112799064 0.07993774771531 0.61023263075682 40.078 > 45 46 Ca 0.86293887200936 0.57993774771531 0.88976736924318 40.078 > 46 47 Ca 0.86293887200936 0.92006225228469 0.38976736924318 40.078 > 47 48 Ca 0.13706112799064 0.42006225228469 0.11023263075682 40.078 > 48 *49 Ca 0.61843729993572 0.66571034471790 0.58384474666929 40.078 > 49 50 Ca 0.38156270006428 0.16571034471790 0.91615525333071 40.078 > 50 51 Ca 0.38156270006428 0.33428965528210 0.41615525333071 40.078 > 51 52 Ca 0.61843729993572 0.83428965528210 0.08384474666929 40.078 > 52 *53 Ca 0.12718021299177 0.69636119313881 0.59699859662934 40.078 > 53 54 Ca 0.87281978700823 0.19636119313881 0.90300140337066 40.078 > 54 55 Ca 0.87281978700823 0.30363880686119 0.40300140337066 40.078 > 55 56 Ca 0.12718021299177 0.80363880686119 0.09699859662934 40.078 > 56 *57 Sn 0.61980573919082 0.44038686846653 0.11758273732443 118.710 > 57 58 Sn 0.38019426080918 0.94038686846653 0.38241726267557 118.710 > 58 59 Sn 0.38019426080918 0.55961313153347 0.88241726267557 118.710 > 59 60 Sn 0.61980573919082 0.05961313153347 0.61758273732443 118.710 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.665534200352351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.068719950000000 0.000000000000000 c -0.216306456514335 0.000000000000000 10.390588560835157 Atomic positions (fractional): *1 O 0.07913847853801 0.60929568991712 0.98283204204998 15.999 > 1 2 O 0.57913847853801 0.60929568991712 0.98283204204998 15.999 > 1 3 O 0.42086152146199 0.10929568991712 0.51716795795002 15.999 > 2 4 O 0.92086152146199 0.10929568991712 0.51716795795002 15.999 > 2 5 O 0.42086152146199 0.39070431008288 0.01716795795001 15.999 > 3 6 O 0.92086152146199 0.39070431008288 0.01716795795001 15.999 > 3 7 O 0.07913847853801 0.89070431008288 0.48283204204998 15.999 > 4 8 O 0.57913847853801 0.89070431008288 0.48283204204998 15.999 > 4 *9 O 0.29551516287555 0.88258557267583 0.50954574749009 15.999 > 5 10 O 0.79551516287555 0.88258557267583 0.50954574749009 15.999 > 5 11 O 0.20448483712445 0.38258557267583 0.99045425250991 15.999 > 6 12 O 0.70448483712445 0.38258557267583 0.99045425250991 15.999 > 6 13 O 0.20448483712445 0.11741442732417 0.49045425250990 15.999 > 7 14 O 0.70448483712445 0.11741442732417 0.49045425250990 15.999 > 7 15 O 0.29551516287555 0.61741442732417 0.00954574749009 15.999 > 8 16 O 0.79551516287555 0.61741442732417 0.00954574749009 15.999 > 8 *17 O 0.44002739358253 0.82968333315983 0.95656346587910 15.999 > 9 18 O 0.94002739358253 0.82968333315983 0.95656346587910 15.999 > 9 19 O 0.05997260641747 0.32968333315983 0.54343653412090 15.999 > 10 20 O 0.55997260641747 0.32968333315983 0.54343653412090 15.999 > 10 21 O 0.05997260641747 0.17031666684017 0.04343653412090 15.999 > 11 22 O 0.55997260641747 0.17031666684017 0.04343653412090 15.999 > 11 23 O 0.44002739358253 0.67031666684017 0.45656346587910 15.999 > 12 24 O 0.94002739358253 0.67031666684017 0.45656346587910 15.999 > 12 *25 O 0.40098485287610 0.00234020466515 0.76419490337140 15.999 > 13 26 O 0.90098485287610 0.00234020466515 0.76419490337140 15.999 > 13 27 O 0.09901514712390 0.50234020466516 0.73580509662860 15.999 > 14 28 O 0.59901514712390 0.50234020466516 0.73580509662860 15.999 > 14 *29 O 0.32293749164022 0.10764162068619 0.03115437564318 15.999 > 15 30 O 0.82293749164022 0.10764162068619 0.03115437564318 15.999 > 15 31 O 0.09901514712390 0.99765979533484 0.23580509662860 15.999 > 16 32 O 0.59901514712390 0.99765979533484 0.23580509662860 15.999 > 16 *33 O 0.42630342652997 0.76849463174147 0.22008939269814 15.999 > 17 34 O 0.92630342652997 0.76849463174147 0.22008939269814 15.999 > 17 35 O 0.07369657347003 0.26849463174147 0.27991060730186 15.999 > 18 36 O 0.57369657347003 0.26849463174147 0.27991060730186 15.999 > 18 37 O 0.07369657347003 0.23150536825853 0.77991060730186 15.999 > 19 38 O 0.57369657347003 0.23150536825853 0.77991060730186 15.999 > 19 39 O 0.42630342652997 0.73150536825853 0.72008939269814 15.999 > 20 40 O 0.92630342652997 0.73150536825853 0.72008939269814 15.999 > 20 *41 O 0.30083493396879 0.23132370565145 0.73979544242795 15.999 > 21 42 O 0.80083493396879 0.23132370565145 0.73979544242795 15.999 > 21 43 O 0.19916506603121 0.73132370565145 0.76020455757205 15.999 > 22 44 O 0.69916506603121 0.73132370565145 0.76020455757205 15.999 > 22 45 O 0.19916506603121 0.76867629434855 0.26020455757205 15.999 > 23 46 O 0.69916506603121 0.76867629434855 0.26020455757205 15.999 > 23 47 O 0.30083493396879 0.26867629434855 0.23979544242795 15.999 > 24 48 O 0.80083493396879 0.26867629434855 0.23979544242795 15.999 > 24 *49 O 0.05793719178832 0.60766019720471 0.26743227045542 15.999 > 25 50 O 0.55793719178832 0.60766019720471 0.26743227045542 15.999 > 25 51 O 0.44206280821168 0.10766019720471 0.23256772954458 15.999 > 26 52 O 0.94206280821168 0.10766019720471 0.23256772954458 15.999 > 26 53 O 0.44206280821168 0.39233980279529 0.73256772954459 15.999 > 27 54 O 0.94206280821168 0.39233980279529 0.73256772954459 15.999 > 27 55 O 0.05793719178832 0.89233980279529 0.76743227045541 15.999 > 28 56 O 0.55793719178832 0.89233980279529 0.76743227045541 15.999 > 28 *57 O 0.29291521683387 0.99544843060654 0.25865927547063 15.999 > 29 58 O 0.79291521683387 0.99544843060654 0.25865927547063 15.999 > 29 59 O 0.20708478316613 0.49544843060654 0.24134072452937 15.999 > 30 60 O 0.70708478316613 0.49544843060654 0.24134072452937 15.999 > 30 61 O 0.20708478316613 0.00455156939346 0.74134072452937 15.999 > 31 62 O 0.70708478316613 0.00455156939346 0.74134072452937 15.999 > 31 63 O 0.29291521683387 0.50455156939346 0.75865927547063 15.999 > 32 64 O 0.79291521683387 0.50455156939346 0.75865927547063 15.999 > 32 65 O 0.32293749164022 0.39235837931381 0.53115437564318 15.999 > 33 66 O 0.82293749164022 0.39235837931381 0.53115437564318 15.999 > 33 67 O 0.17706250835978 0.89235837931381 0.96884562435682 15.999 > 34 68 O 0.67706250835978 0.89235837931381 0.96884562435682 15.999 > 34 69 O 0.17706250835978 0.60764162068619 0.46884562435682 15.999 > 35 70 O 0.67706250835978 0.60764162068619 0.46884562435682 15.999 > 35 71 O 0.40098485287610 0.49765979533485 0.26419490337140 15.999 > 36 72 O 0.90098485287610 0.49765979533485 0.26419490337140 15.999 > 36 *73 Si 0.44962081175300 0.86293758208756 0.80543045856646 28.085 > 37 74 Si 0.94962081175299 0.86293758208756 0.80543045856646 28.085 > 37 75 Si 0.05037918824700 0.36293758208756 0.69456954143354 28.085 > 38 76 Si 0.55037918824701 0.36293758208756 0.69456954143354 28.085 > 38 77 Si 0.05037918824700 0.13706241791244 0.19456954143354 28.085 > 39 78 Si 0.55037918824701 0.13706241791244 0.19456954143354 28.085 > 39 79 Si 0.44962081175300 0.63706241791244 0.30543045856646 28.085 > 40 80 Si 0.94962081175299 0.63706241791244 0.30543045856646 28.085 > 40 *81 Si 0.16623732679476 0.87526918765529 0.81558767282335 28.085 > 41 82 Si 0.66623732679476 0.87526918765529 0.81558767282335 28.085 > 41 83 Si 0.33376267320524 0.37526918765529 0.68441232717665 28.085 > 42 84 Si 0.83376267320524 0.37526918765529 0.68441232717665 28.085 > 42 85 Si 0.33376267320524 0.12473081234471 0.18441232717665 28.085 > 43 86 Si 0.83376267320524 0.12473081234471 0.18441232717665 28.085 > 43 87 Si 0.16623732679476 0.62473081234471 0.31558767282335 28.085 > 44 88 Si 0.66623732679476 0.62473081234471 0.31558767282335 28.085 > 44 *89 Ca 0.06853056399532 0.07993774771531 0.61023263075682 40.078 > 45 90 Ca 0.56853056399532 0.07993774771531 0.61023263075682 40.078 > 45 91 Ca 0.43146943600468 0.57993774771531 0.88976736924318 40.078 > 46 92 Ca 0.93146943600468 0.57993774771531 0.88976736924318 40.078 > 46 93 Ca 0.43146943600468 0.92006225228469 0.38976736924318 40.078 > 47 94 Ca 0.93146943600468 0.92006225228469 0.38976736924318 40.078 > 47 95 Ca 0.06853056399532 0.42006225228469 0.11023263075682 40.078 > 48 96 Ca 0.56853056399532 0.42006225228469 0.11023263075682 40.078 > 48 *97 Ca 0.30921864996786 0.66571034471790 0.58384474666929 40.078 > 49 98 Ca 0.80921864996786 0.66571034471790 0.58384474666929 40.078 > 49 99 Ca 0.19078135003214 0.16571034471790 0.91615525333071 40.078 > 50 100 Ca 0.69078135003214 0.16571034471790 0.91615525333071 40.078 > 50 101 Ca 0.19078135003214 0.33428965528210 0.41615525333071 40.078 > 51 102 Ca 0.69078135003214 0.33428965528210 0.41615525333071 40.078 > 51 103 Ca 0.30921864996786 0.83428965528210 0.08384474666929 40.078 > 52 104 Ca 0.80921864996786 0.83428965528210 0.08384474666929 40.078 > 52 *105 Ca 0.06359010649589 0.69636119313881 0.59699859662934 40.078 > 53 106 Ca 0.56359010649589 0.69636119313881 0.59699859662934 40.078 > 53 107 Ca 0.43640989350411 0.19636119313881 0.90300140337066 40.078 > 54 108 Ca 0.93640989350411 0.19636119313881 0.90300140337066 40.078 > 54 109 Ca 0.43640989350411 0.30363880686119 0.40300140337066 40.078 > 55 110 Ca 0.93640989350411 0.30363880686119 0.40300140337066 40.078 > 55 111 Ca 0.06359010649589 0.80363880686119 0.09699859662934 40.078 > 56 112 Ca 0.56359010649589 0.80363880686119 0.09699859662934 40.078 > 56 *113 Sn 0.30990286959541 0.44038686846653 0.11758273732443 118.710 > 57 114 Sn 0.80990286959541 0.44038686846653 0.11758273732443 118.710 > 57 115 Sn 0.19009713040459 0.94038686846653 0.38241726267557 118.710 > 58 116 Sn 0.69009713040459 0.94038686846653 0.38241726267557 118.710 > 58 117 Sn 0.19009713040459 0.55961313153347 0.88241726267557 118.710 > 59 118 Sn 0.69009713040459 0.55961313153347 0.88241726267557 118.710 > 59 119 Sn 0.30990286959541 0.05961313153347 0.61758273732443 118.710 > 60 120 Sn 0.80990286959541 0.05961313153347 0.61758273732443 118.710 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2976902 0.0000000 0.0180149 0.0000000 3.2824338 0.0000000 0.0180173 0.0000000 3.3046557 -------------------------- Born effective charges -------------------------- 1 O -2.2219115 0.0941743 0.1787563 0.1541006 -1.9837694 -0.1186786 0.1633552 0.0037830 -1.8067600 2 O -2.2219115 -0.0941743 0.1787563 -0.1541006 -1.9837694 0.1186786 0.1633552 -0.0037830 -1.8067600 3 O -2.2219115 0.0941743 0.1787563 0.1541006 -1.9837694 -0.1186786 0.1633552 0.0037830 -1.8067600 4 O -2.2219115 -0.0941743 0.1787563 -0.1541006 -1.9837694 0.1186786 0.1633552 -0.0037830 -1.8067600 5 O -1.9597617 -0.0073647 -0.2237339 0.0217700 -2.0858073 -0.0247014 -0.2164247 -0.0763904 -1.8072301 6 O -1.9597617 0.0073647 -0.2237339 -0.0217700 -2.0858073 0.0247014 -0.2164247 0.0763904 -1.8072301 7 O -1.9597617 -0.0073647 -0.2237339 0.0217700 -2.0858073 -0.0247014 -0.2164247 -0.0763904 -1.8072301 8 O -1.9597617 0.0073647 -0.2237339 -0.0217700 -2.0858073 0.0247014 -0.2164247 0.0763904 -1.8072301 9 O -1.7303770 0.0502921 0.0736693 0.0435907 -1.5838998 0.1787919 0.0468637 0.2058891 -2.3319779 10 O -1.7303770 -0.0502921 0.0736693 -0.0435907 -1.5838998 -0.1787919 0.0468637 -0.2058891 -2.3319779 11 O -1.7303770 0.0502921 0.0736693 0.0435907 -1.5838998 0.1787919 0.0468637 0.2058891 -2.3319779 12 O -1.7303770 -0.0502921 0.0736693 -0.0435907 -1.5838998 -0.1787919 0.0468637 -0.2058891 -2.3319779 13 O -1.7406950 0.5158983 -0.4449241 0.4014264 -2.1720673 0.3101382 -0.4745806 0.3579095 -1.8052417 14 O -1.7406950 -0.5158983 -0.4449241 -0.4014264 -2.1720673 -0.3101382 -0.4745806 -0.3579095 -1.8052417 15 O -1.6144061 -0.0825316 -0.0974687 -0.0557945 -1.6286062 0.0952137 -0.0714622 0.1466926 -2.2510241 16 O -1.7406950 0.5158983 -0.4449241 0.4014264 -2.1720673 0.3101382 -0.4745806 0.3579095 -1.8052417 17 O -1.7252283 0.2210955 -0.1518602 0.1429487 -1.9940471 0.1464817 -0.1000223 0.1535117 -1.9596094 18 O -1.7252283 -0.2210955 -0.1518602 -0.1429487 -1.9940471 -0.1464817 -0.1000223 -0.1535117 -1.9596094 19 O -1.7252283 0.2210955 -0.1518602 0.1429487 -1.9940471 0.1464817 -0.1000223 0.1535117 -1.9596094 20 O -1.7252283 -0.2210955 -0.1518602 -0.1429487 -1.9940471 -0.1464817 -0.1000223 -0.1535117 -1.9596094 21 O -1.4700373 -0.2414452 0.1070007 -0.2254633 -2.4340266 -0.1166194 0.0412238 -0.2043567 -1.7780177 22 O -1.4700373 0.2414452 0.1070007 0.2254633 -2.4340266 0.1166194 0.0412238 0.2043567 -1.7780177 23 O -1.4700373 -0.2414452 0.1070007 -0.2254633 -2.4340266 -0.1166194 0.0412238 -0.2043567 -1.7780177 24 O -1.4700373 0.2414452 0.1070007 0.2254633 -2.4340266 0.1166194 0.0412238 0.2043567 -1.7780177 25 O -2.9485637 0.0702712 -0.0043350 0.0630511 -1.4200623 -0.1640122 -0.0706970 -0.1706327 -1.4462870 26 O -2.9485637 -0.0702712 -0.0043350 -0.0630511 -1.4200623 0.1640122 -0.0706970 0.1706327 -1.4462870 27 O -2.9485637 0.0702712 -0.0043350 0.0630511 -1.4200623 -0.1640122 -0.0706970 -0.1706327 -1.4462870 28 O -2.9485637 -0.0702712 -0.0043350 -0.0630511 -1.4200623 0.1640122 -0.0706970 0.1706327 -1.4462870 29 O -1.8076772 -0.4524502 0.4276888 -0.2980471 -2.0131301 0.3652837 0.4278619 0.4965440 -1.9782950 30 O -1.8076772 0.4524502 0.4276888 0.2980471 -2.0131301 -0.3652837 0.4278619 -0.4965440 -1.9782950 31 O -1.8076772 -0.4524502 0.4276888 -0.2980471 -2.0131301 0.3652837 0.4278619 0.4965440 -1.9782950 32 O -1.8076772 0.4524502 0.4276888 0.2980471 -2.0131301 -0.3652837 0.4278619 -0.4965440 -1.9782950 33 O -1.6144061 0.0825316 -0.0974687 0.0557945 -1.6286062 -0.0952137 -0.0714622 -0.1466926 -2.2510241 34 O -1.6144061 -0.0825316 -0.0974687 -0.0557945 -1.6286062 0.0952137 -0.0714622 0.1466926 -2.2510241 35 O -1.6144061 0.0825316 -0.0974687 0.0557945 -1.6286062 -0.0952137 -0.0714622 -0.1466926 -2.2510241 36 O -1.7406950 -0.5158983 -0.4449241 -0.4014264 -2.1720673 -0.3101382 -0.4745806 -0.3579095 -1.8052417 37 Si 3.0493791 -0.2239045 -0.0987028 -0.1395253 3.1362513 -0.1818655 0.0400777 -0.3785702 2.9096311 38 Si 3.0493791 0.2239045 -0.0987028 0.1395253 3.1362513 0.1818655 0.0400777 0.3785702 2.9096311 39 Si 3.0493791 -0.2239045 -0.0987028 -0.1395253 3.1362513 -0.1818655 0.0400777 -0.3785702 2.9096311 40 Si 3.0493791 0.2239045 -0.0987028 0.1395253 3.1362513 0.1818655 0.0400777 0.3785702 2.9096311 41 Si 2.8733947 0.1852853 0.1009560 -0.0332121 3.3090774 -0.0833300 0.0991104 -0.5211743 2.9748214 42 Si 2.8733947 -0.1852853 0.1009560 0.0332121 3.3090774 0.0833300 0.0991104 0.5211743 2.9748214 43 Si 2.8733947 0.1852853 0.1009560 -0.0332121 3.3090774 -0.0833300 0.0991104 -0.5211743 2.9748214 44 Si 2.8733947 -0.1852853 0.1009560 0.0332121 3.3090774 0.0833300 0.0991104 0.5211743 2.9748214 45 Ca 2.5244089 -0.2300192 -0.0302384 -0.1353931 2.4096095 0.1371363 -0.0219864 0.2138812 2.1515214 46 Ca 2.5244089 0.2300192 -0.0302384 0.1353931 2.4096095 -0.1371363 -0.0219864 -0.2138812 2.1515214 47 Ca 2.5244089 -0.2300192 -0.0302384 -0.1353931 2.4096095 0.1371363 -0.0219864 0.2138812 2.1515214 48 Ca 2.5244089 0.2300192 -0.0302384 0.1353931 2.4096095 -0.1371363 -0.0219864 -0.2138812 2.1515214 49 Ca 2.4850344 0.0574680 0.0480143 0.1320279 2.5333174 -0.2327803 0.0236490 -0.1417399 2.4627684 50 Ca 2.4850344 -0.0574680 0.0480143 -0.1320279 2.5333174 0.2327803 0.0236490 0.1417399 2.4627684 51 Ca 2.4850344 0.0574680 0.0480143 0.1320279 2.5333174 -0.2327803 0.0236490 -0.1417399 2.4627684 52 Ca 2.4850344 -0.0574680 0.0480143 -0.1320279 2.5333174 0.2327803 0.0236490 0.1417399 2.4627684 53 Ca 2.3143933 -0.0002862 -0.0799451 -0.1171925 2.3258422 -0.2073493 0.0300454 -0.1398390 2.6507696 54 Ca 2.3143933 0.0002862 -0.0799451 0.1171925 2.3258422 0.2073493 0.0300454 0.1398390 2.6507696 55 Ca 2.3143933 -0.0002862 -0.0799451 -0.1171925 2.3258422 -0.2073493 0.0300454 -0.1398390 2.6507696 56 Ca 2.3143933 0.0002862 -0.0799451 0.1171925 2.3258422 0.2073493 0.0300454 0.1398390 2.6507696 57 Sn 3.9720474 -0.2637947 0.1951228 -0.1857139 3.6013183 -0.1214832 0.0829861 -0.2214540 4.0149309 58 Sn 3.9720474 0.2637947 0.1951228 0.1857139 3.6013183 0.1214832 0.0829861 0.2214540 4.0149309 59 Sn 3.9720474 -0.2637947 0.1951228 -0.1857139 3.6013183 -0.1214832 0.0829861 -0.2214540 4.0149309 60 Sn 3.9720474 0.2637947 0.1951228 0.1857139 3.6013183 0.1214832 0.0829861 0.2214540 4.0149309 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 1840 - Time: 2.843 Solver_block: 200 / 1840 - Time: 2.676 Solver_block: 300 / 1840 - Time: 2.678 Solver_block: 400 / 1840 - Time: 2.678 Solver_block: 500 / 1840 - Time: 2.678 Solver_block: 600 / 1840 - Time: 2.676 Solver_block: 700 / 1840 - Time: 2.674 Solver_block: 800 / 1840 - Time: 2.675 Solver_block: 900 / 1840 - Time: 2.676 Solver_block: 1000 / 1840 - Time: 2.676 Solver_block: 1100 / 1840 - Time: 2.676 Solver_block: 1200 / 1840 - Time: 2.676 Solver_block: 1300 / 1840 - Time: 2.677 Solver_block: 1400 / 1840 - Time: 2.679 Solver_block: 1500 / 1840 - Time: 2.679 Solver_block: 1600 / 1840 - Time: 2.672 Solver_block: 1700 / 1840 - Time: 2.676 Solver_block: 1800 / 1840 - Time: 2.677 Solver_block: 1840 / 1840 - Time: 1.230 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 51.130 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8280 Number of blocks in projector: 8280 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: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1800 / 1800 (1) 270 eigenvectors found. (1) Complementary block size: 106 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1800 Use submatrix version of eigh solver. (1) Block: 500 / 1800 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 1000 / 1800 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1800 / 1800 (1) 287 eigenvectors found. (1) Complementary block size: 86 (1) Compute compressed projector. (1) Use standard solver. (1) 57 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 960 Use submatrix version of eigh solver. (1) Block: 500 / 960 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 960 / 960 (1) 445 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. Tree of FC basis block matrices: - (8280, 8146), data: False |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (960, 945), data: False |-- (960, 15), data: (960, 30) @ (30, 15) |-- (460, 445), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1800, 1771), data: False |-- (1800, 57), data: (1800, 86) @ (86, 57) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 471), data: False |-- (500, 27), data: (500, 56) @ (56, 27) |-- (250, 223), data: True |-- (250, 221), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True |-- (1800, 1770), data: False |-- (1800, 76), data: (1800, 106) @ (106, 76) |-- (300, 270), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 470), data: False |-- (500, 28), data: (500, 58) @ (58, 28) |-- (250, 222), data: True |-- (250, 220), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 01:13:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:13:29]------------------------- Compiled with OpenMP support (max 32 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 7.332767100176175 0.000000000000000 0.000000000000000 b 0.000000000000000 10.068719950000000 0.000000000000000 c -0.216306456514335 0.000000000000000 10.390588560835157 Atomic positions (fractional): 1 O 0.15827695707603 0.60929568991712 0.98283204204998 15.999 2 O 0.84172304292397 0.10929568991712 0.51716795795002 15.999 3 O 0.84172304292397 0.39070431008288 0.01716795795001 15.999 4 O 0.15827695707603 0.89070431008288 0.48283204204998 15.999 5 O 0.59103032575111 0.88258557267583 0.50954574749009 15.999 6 O 0.40896967424889 0.38258557267583 0.99045425250991 15.999 7 O 0.40896967424889 0.11741442732417 0.49045425250990 15.999 8 O 0.59103032575111 0.61741442732417 0.00954574749009 15.999 9 O 0.88005478716506 0.82968333315983 0.95656346587910 15.999 10 O 0.11994521283494 0.32968333315983 0.54343653412090 15.999 11 O 0.11994521283494 0.17031666684017 0.04343653412090 15.999 12 O 0.88005478716506 0.67031666684017 0.45656346587910 15.999 13 O 0.80196970575220 0.00234020466515 0.76419490337140 15.999 14 O 0.19803029424780 0.50234020466516 0.73580509662860 15.999 15 O 0.64587498328045 0.10764162068619 0.03115437564318 15.999 16 O 0.19803029424780 0.99765979533484 0.23580509662860 15.999 17 O 0.85260685305994 0.76849463174147 0.22008939269814 15.999 18 O 0.14739314694006 0.26849463174147 0.27991060730186 15.999 19 O 0.14739314694006 0.23150536825853 0.77991060730186 15.999 20 O 0.85260685305994 0.73150536825853 0.72008939269814 15.999 21 O 0.60166986793758 0.23132370565145 0.73979544242795 15.999 22 O 0.39833013206242 0.73132370565145 0.76020455757205 15.999 23 O 0.39833013206242 0.76867629434855 0.26020455757205 15.999 24 O 0.60166986793758 0.26867629434855 0.23979544242795 15.999 25 O 0.11587438357664 0.60766019720471 0.26743227045542 15.999 26 O 0.88412561642336 0.10766019720471 0.23256772954458 15.999 27 O 0.88412561642336 0.39233980279529 0.73256772954459 15.999 28 O 0.11587438357664 0.89233980279529 0.76743227045541 15.999 29 O 0.58583043366775 0.99544843060654 0.25865927547063 15.999 30 O 0.41416956633225 0.49544843060654 0.24134072452937 15.999 31 O 0.41416956633225 0.00455156939346 0.74134072452937 15.999 32 O 0.58583043366775 0.50455156939346 0.75865927547063 15.999 33 O 0.64587498328045 0.39235837931381 0.53115437564318 15.999 34 O 0.35412501671955 0.89235837931381 0.96884562435682 15.999 35 O 0.35412501671955 0.60764162068619 0.46884562435682 15.999 36 O 0.80196970575220 0.49765979533485 0.26419490337140 15.999 37 Si 0.89924162350599 0.86293758208756 0.80543045856646 28.085 38 Si 0.10075837649401 0.36293758208756 0.69456954143354 28.085 39 Si 0.10075837649401 0.13706241791244 0.19456954143354 28.085 40 Si 0.89924162350599 0.63706241791244 0.30543045856646 28.085 41 Si 0.33247465358953 0.87526918765529 0.81558767282335 28.085 42 Si 0.66752534641047 0.37526918765529 0.68441232717665 28.085 43 Si 0.66752534641047 0.12473081234471 0.18441232717665 28.085 44 Si 0.33247465358953 0.62473081234471 0.31558767282335 28.085 45 Ca 0.13706112799064 0.07993774771531 0.61023263075682 40.078 46 Ca 0.86293887200936 0.57993774771531 0.88976736924318 40.078 47 Ca 0.86293887200936 0.92006225228469 0.38976736924318 40.078 48 Ca 0.13706112799064 0.42006225228469 0.11023263075682 40.078 49 Ca 0.61843729993572 0.66571034471790 0.58384474666929 40.078 50 Ca 0.38156270006428 0.16571034471790 0.91615525333071 40.078 51 Ca 0.38156270006428 0.33428965528210 0.41615525333071 40.078 52 Ca 0.61843729993572 0.83428965528210 0.08384474666929 40.078 53 Ca 0.12718021299177 0.69636119313881 0.59699859662934 40.078 54 Ca 0.87281978700823 0.19636119313881 0.90300140337066 40.078 55 Ca 0.87281978700823 0.30363880686119 0.40300140337066 40.078 56 Ca 0.12718021299177 0.80363880686119 0.09699859662934 40.078 57 Sn 0.61980573919082 0.44038686846653 0.11758273732443 118.710 58 Sn 0.38019426080918 0.94038686846653 0.38241726267557 118.710 59 Sn 0.38019426080918 0.55961313153347 0.88241726267557 118.710 60 Sn 0.61980573919082 0.05961313153347 0.61758273732443 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.665534200352351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.068719950000000 0.000000000000000 c -0.216306456514335 0.000000000000000 10.390588560835157 Atomic positions (fractional): 1 O 0.07913847853801 0.60929568991712 0.98283204204998 15.999 > 1 2 O 0.57913847853801 0.60929568991712 0.98283204204998 15.999 > 1 3 O 0.42086152146199 0.10929568991712 0.51716795795002 15.999 > 3 4 O 0.92086152146199 0.10929568991712 0.51716795795002 15.999 > 3 5 O 0.42086152146199 0.39070431008288 0.01716795795001 15.999 > 5 6 O 0.92086152146199 0.39070431008288 0.01716795795001 15.999 > 5 7 O 0.07913847853801 0.89070431008288 0.48283204204998 15.999 > 7 8 O 0.57913847853801 0.89070431008288 0.48283204204998 15.999 > 7 9 O 0.29551516287555 0.88258557267583 0.50954574749009 15.999 > 9 10 O 0.79551516287555 0.88258557267583 0.50954574749009 15.999 > 9 11 O 0.20448483712445 0.38258557267583 0.99045425250991 15.999 > 11 12 O 0.70448483712445 0.38258557267583 0.99045425250991 15.999 > 11 13 O 0.20448483712445 0.11741442732417 0.49045425250990 15.999 > 13 14 O 0.70448483712445 0.11741442732417 0.49045425250990 15.999 > 13 15 O 0.29551516287555 0.61741442732417 0.00954574749009 15.999 > 15 16 O 0.79551516287555 0.61741442732417 0.00954574749009 15.999 > 15 17 O 0.44002739358253 0.82968333315983 0.95656346587910 15.999 > 17 18 O 0.94002739358253 0.82968333315983 0.95656346587910 15.999 > 17 19 O 0.05997260641747 0.32968333315983 0.54343653412090 15.999 > 19 20 O 0.55997260641747 0.32968333315983 0.54343653412090 15.999 > 19 21 O 0.05997260641747 0.17031666684017 0.04343653412090 15.999 > 21 22 O 0.55997260641747 0.17031666684017 0.04343653412090 15.999 > 21 23 O 0.44002739358253 0.67031666684017 0.45656346587910 15.999 > 23 24 O 0.94002739358253 0.67031666684017 0.45656346587910 15.999 > 23 25 O 0.40098485287610 0.00234020466515 0.76419490337140 15.999 > 25 26 O 0.90098485287610 0.00234020466515 0.76419490337140 15.999 > 25 27 O 0.09901514712390 0.50234020466516 0.73580509662860 15.999 > 27 28 O 0.59901514712390 0.50234020466516 0.73580509662860 15.999 > 27 29 O 0.32293749164022 0.10764162068619 0.03115437564318 15.999 > 29 30 O 0.82293749164022 0.10764162068619 0.03115437564318 15.999 > 29 31 O 0.09901514712390 0.99765979533484 0.23580509662860 15.999 > 31 32 O 0.59901514712390 0.99765979533484 0.23580509662860 15.999 > 31 33 O 0.42630342652997 0.76849463174147 0.22008939269814 15.999 > 33 34 O 0.92630342652997 0.76849463174147 0.22008939269814 15.999 > 33 35 O 0.07369657347003 0.26849463174147 0.27991060730186 15.999 > 35 36 O 0.57369657347003 0.26849463174147 0.27991060730186 15.999 > 35 37 O 0.07369657347003 0.23150536825853 0.77991060730186 15.999 > 37 38 O 0.57369657347003 0.23150536825853 0.77991060730186 15.999 > 37 39 O 0.42630342652997 0.73150536825853 0.72008939269814 15.999 > 39 40 O 0.92630342652997 0.73150536825853 0.72008939269814 15.999 > 39 41 O 0.30083493396879 0.23132370565145 0.73979544242795 15.999 > 41 42 O 0.80083493396879 0.23132370565145 0.73979544242795 15.999 > 41 43 O 0.19916506603121 0.73132370565145 0.76020455757205 15.999 > 43 44 O 0.69916506603121 0.73132370565145 0.76020455757205 15.999 > 43 45 O 0.19916506603121 0.76867629434855 0.26020455757205 15.999 > 45 46 O 0.69916506603121 0.76867629434855 0.26020455757205 15.999 > 45 47 O 0.30083493396879 0.26867629434855 0.23979544242795 15.999 > 47 48 O 0.80083493396879 0.26867629434855 0.23979544242795 15.999 > 47 49 O 0.05793719178832 0.60766019720471 0.26743227045542 15.999 > 49 50 O 0.55793719178832 0.60766019720471 0.26743227045542 15.999 > 49 51 O 0.44206280821168 0.10766019720471 0.23256772954458 15.999 > 51 52 O 0.94206280821168 0.10766019720471 0.23256772954458 15.999 > 51 53 O 0.44206280821168 0.39233980279529 0.73256772954459 15.999 > 53 54 O 0.94206280821168 0.39233980279529 0.73256772954459 15.999 > 53 55 O 0.05793719178832 0.89233980279529 0.76743227045541 15.999 > 55 56 O 0.55793719178832 0.89233980279529 0.76743227045541 15.999 > 55 57 O 0.29291521683387 0.99544843060654 0.25865927547063 15.999 > 57 58 O 0.79291521683387 0.99544843060654 0.25865927547063 15.999 > 57 59 O 0.20708478316613 0.49544843060654 0.24134072452937 15.999 > 59 60 O 0.70708478316613 0.49544843060654 0.24134072452937 15.999 > 59 61 O 0.20708478316613 0.00455156939346 0.74134072452937 15.999 > 61 62 O 0.70708478316613 0.00455156939346 0.74134072452937 15.999 > 61 63 O 0.29291521683387 0.50455156939346 0.75865927547063 15.999 > 63 64 O 0.79291521683387 0.50455156939346 0.75865927547063 15.999 > 63 65 O 0.32293749164022 0.39235837931381 0.53115437564318 15.999 > 65 66 O 0.82293749164022 0.39235837931381 0.53115437564318 15.999 > 65 67 O 0.17706250835978 0.89235837931381 0.96884562435682 15.999 > 67 68 O 0.67706250835978 0.89235837931381 0.96884562435682 15.999 > 67 69 O 0.17706250835978 0.60764162068619 0.46884562435682 15.999 > 69 70 O 0.67706250835978 0.60764162068619 0.46884562435682 15.999 > 69 71 O 0.40098485287610 0.49765979533485 0.26419490337140 15.999 > 71 72 O 0.90098485287610 0.49765979533485 0.26419490337140 15.999 > 71 73 Si 0.44962081175300 0.86293758208756 0.80543045856646 28.085 > 73 74 Si 0.94962081175299 0.86293758208756 0.80543045856646 28.085 > 73 75 Si 0.05037918824700 0.36293758208756 0.69456954143354 28.085 > 75 76 Si 0.55037918824701 0.36293758208756 0.69456954143354 28.085 > 75 77 Si 0.05037918824700 0.13706241791244 0.19456954143354 28.085 > 77 78 Si 0.55037918824701 0.13706241791244 0.19456954143354 28.085 > 77 79 Si 0.44962081175300 0.63706241791244 0.30543045856646 28.085 > 79 80 Si 0.94962081175299 0.63706241791244 0.30543045856646 28.085 > 79 81 Si 0.16623732679476 0.87526918765529 0.81558767282335 28.085 > 81 82 Si 0.66623732679476 0.87526918765529 0.81558767282335 28.085 > 81 83 Si 0.33376267320524 0.37526918765529 0.68441232717665 28.085 > 83 84 Si 0.83376267320524 0.37526918765529 0.68441232717665 28.085 > 83 85 Si 0.33376267320524 0.12473081234471 0.18441232717665 28.085 > 85 86 Si 0.83376267320524 0.12473081234471 0.18441232717665 28.085 > 85 87 Si 0.16623732679476 0.62473081234471 0.31558767282335 28.085 > 87 88 Si 0.66623732679476 0.62473081234471 0.31558767282335 28.085 > 87 89 Ca 0.06853056399532 0.07993774771531 0.61023263075682 40.078 > 89 90 Ca 0.56853056399532 0.07993774771531 0.61023263075682 40.078 > 89 91 Ca 0.43146943600468 0.57993774771531 0.88976736924318 40.078 > 91 92 Ca 0.93146943600468 0.57993774771531 0.88976736924318 40.078 > 91 93 Ca 0.43146943600468 0.92006225228469 0.38976736924318 40.078 > 93 94 Ca 0.93146943600468 0.92006225228469 0.38976736924318 40.078 > 93 95 Ca 0.06853056399532 0.42006225228469 0.11023263075682 40.078 > 95 96 Ca 0.56853056399532 0.42006225228469 0.11023263075682 40.078 > 95 97 Ca 0.30921864996786 0.66571034471790 0.58384474666929 40.078 > 97 98 Ca 0.80921864996786 0.66571034471790 0.58384474666929 40.078 > 97 99 Ca 0.19078135003214 0.16571034471790 0.91615525333071 40.078 > 99 100 Ca 0.69078135003214 0.16571034471790 0.91615525333071 40.078 > 99 101 Ca 0.19078135003214 0.33428965528210 0.41615525333071 40.078 > 101 102 Ca 0.69078135003214 0.33428965528210 0.41615525333071 40.078 > 101 103 Ca 0.30921864996786 0.83428965528210 0.08384474666929 40.078 > 103 104 Ca 0.80921864996786 0.83428965528210 0.08384474666929 40.078 > 103 105 Ca 0.06359010649589 0.69636119313881 0.59699859662934 40.078 > 105 106 Ca 0.56359010649589 0.69636119313881 0.59699859662934 40.078 > 105 107 Ca 0.43640989350411 0.19636119313881 0.90300140337066 40.078 > 107 108 Ca 0.93640989350411 0.19636119313881 0.90300140337066 40.078 > 107 109 Ca 0.43640989350411 0.30363880686119 0.40300140337066 40.078 > 109 110 Ca 0.93640989350411 0.30363880686119 0.40300140337066 40.078 > 109 111 Ca 0.06359010649589 0.80363880686119 0.09699859662934 40.078 > 111 112 Ca 0.56359010649589 0.80363880686119 0.09699859662934 40.078 > 111 113 Sn 0.30990286959541 0.44038686846653 0.11758273732443 118.710 > 113 114 Sn 0.80990286959541 0.44038686846653 0.11758273732443 118.710 > 113 115 Sn 0.19009713040459 0.94038686846653 0.38241726267557 118.710 > 115 116 Sn 0.69009713040459 0.94038686846653 0.38241726267557 118.710 > 115 117 Sn 0.19009713040459 0.55961313153347 0.88241726267557 118.710 > 117 118 Sn 0.69009713040459 0.55961313153347 0.88241726267557 118.710 > 117 119 Sn 0.30990286959541 0.05961313153347 0.61758273732443 118.710 > 119 120 Sn 0.80990286959541 0.05961313153347 0.61758273732443 118.710 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2976902 0.0000000 0.0180149 0.0000000 3.2824338 0.0000000 0.0180173 0.0000000 3.3046557 -------------------------- Born effective charges -------------------------- 1 O -2.2219115 0.0941743 0.1787563 0.1541006 -1.9837694 -0.1186786 0.1633552 0.0037830 -1.8067600 2 O -2.2219115 -0.0941743 0.1787563 -0.1541006 -1.9837694 0.1186786 0.1633552 -0.0037830 -1.8067600 3 O -2.2219115 0.0941743 0.1787563 0.1541006 -1.9837694 -0.1186786 0.1633552 0.0037830 -1.8067600 4 O -2.2219115 -0.0941743 0.1787563 -0.1541006 -1.9837694 0.1186786 0.1633552 -0.0037830 -1.8067600 5 O -1.9597617 -0.0073647 -0.2237339 0.0217700 -2.0858073 -0.0247014 -0.2164247 -0.0763904 -1.8072301 6 O -1.9597617 0.0073647 -0.2237339 -0.0217700 -2.0858073 0.0247014 -0.2164247 0.0763904 -1.8072301 7 O -1.9597617 -0.0073647 -0.2237339 0.0217700 -2.0858073 -0.0247014 -0.2164247 -0.0763904 -1.8072301 8 O -1.9597617 0.0073647 -0.2237339 -0.0217700 -2.0858073 0.0247014 -0.2164247 0.0763904 -1.8072301 9 O -1.7303770 0.0502921 0.0736693 0.0435907 -1.5838998 0.1787919 0.0468637 0.2058891 -2.3319779 10 O -1.7303770 -0.0502921 0.0736693 -0.0435907 -1.5838998 -0.1787919 0.0468637 -0.2058891 -2.3319779 11 O -1.7303770 0.0502921 0.0736693 0.0435907 -1.5838998 0.1787919 0.0468637 0.2058891 -2.3319779 12 O -1.7303770 -0.0502921 0.0736693 -0.0435907 -1.5838998 -0.1787919 0.0468637 -0.2058891 -2.3319779 13 O -1.7406950 0.5158983 -0.4449241 0.4014264 -2.1720673 0.3101382 -0.4745806 0.3579095 -1.8052417 14 O -1.7406950 -0.5158983 -0.4449241 -0.4014264 -2.1720673 -0.3101382 -0.4745806 -0.3579095 -1.8052417 15 O -1.6144061 -0.0825316 -0.0974687 -0.0557945 -1.6286062 0.0952137 -0.0714622 0.1466926 -2.2510241 16 O -1.7406950 0.5158983 -0.4449241 0.4014264 -2.1720673 0.3101382 -0.4745806 0.3579095 -1.8052417 17 O -1.7252283 0.2210955 -0.1518602 0.1429487 -1.9940471 0.1464817 -0.1000223 0.1535117 -1.9596094 18 O -1.7252283 -0.2210955 -0.1518602 -0.1429487 -1.9940471 -0.1464817 -0.1000223 -0.1535117 -1.9596094 19 O -1.7252283 0.2210955 -0.1518602 0.1429487 -1.9940471 0.1464817 -0.1000223 0.1535117 -1.9596094 20 O -1.7252283 -0.2210955 -0.1518602 -0.1429487 -1.9940471 -0.1464817 -0.1000223 -0.1535117 -1.9596094 21 O -1.4700373 -0.2414452 0.1070007 -0.2254633 -2.4340266 -0.1166194 0.0412238 -0.2043567 -1.7780177 22 O -1.4700373 0.2414452 0.1070007 0.2254633 -2.4340266 0.1166194 0.0412238 0.2043567 -1.7780177 23 O -1.4700373 -0.2414452 0.1070007 -0.2254633 -2.4340266 -0.1166194 0.0412238 -0.2043567 -1.7780177 24 O -1.4700373 0.2414452 0.1070007 0.2254633 -2.4340266 0.1166194 0.0412238 0.2043567 -1.7780177 25 O -2.9485637 0.0702712 -0.0043350 0.0630511 -1.4200623 -0.1640122 -0.0706970 -0.1706327 -1.4462870 26 O -2.9485637 -0.0702712 -0.0043350 -0.0630511 -1.4200623 0.1640122 -0.0706970 0.1706327 -1.4462870 27 O -2.9485637 0.0702712 -0.0043350 0.0630511 -1.4200623 -0.1640122 -0.0706970 -0.1706327 -1.4462870 28 O -2.9485637 -0.0702712 -0.0043350 -0.0630511 -1.4200623 0.1640122 -0.0706970 0.1706327 -1.4462870 29 O -1.8076772 -0.4524502 0.4276888 -0.2980471 -2.0131301 0.3652837 0.4278619 0.4965440 -1.9782950 30 O -1.8076772 0.4524502 0.4276888 0.2980471 -2.0131301 -0.3652837 0.4278619 -0.4965440 -1.9782950 31 O -1.8076772 -0.4524502 0.4276888 -0.2980471 -2.0131301 0.3652837 0.4278619 0.4965440 -1.9782950 32 O -1.8076772 0.4524502 0.4276888 0.2980471 -2.0131301 -0.3652837 0.4278619 -0.4965440 -1.9782950 33 O -1.6144061 0.0825316 -0.0974687 0.0557945 -1.6286062 -0.0952137 -0.0714622 -0.1466926 -2.2510241 34 O -1.6144061 -0.0825316 -0.0974687 -0.0557945 -1.6286062 0.0952137 -0.0714622 0.1466926 -2.2510241 35 O -1.6144061 0.0825316 -0.0974687 0.0557945 -1.6286062 -0.0952137 -0.0714622 -0.1466926 -2.2510241 36 O -1.7406950 -0.5158983 -0.4449241 -0.4014264 -2.1720673 -0.3101382 -0.4745806 -0.3579095 -1.8052417 37 Si 3.0493791 -0.2239045 -0.0987028 -0.1395253 3.1362513 -0.1818655 0.0400777 -0.3785702 2.9096311 38 Si 3.0493791 0.2239045 -0.0987028 0.1395253 3.1362513 0.1818655 0.0400777 0.3785702 2.9096311 39 Si 3.0493791 -0.2239045 -0.0987028 -0.1395253 3.1362513 -0.1818655 0.0400777 -0.3785702 2.9096311 40 Si 3.0493791 0.2239045 -0.0987028 0.1395253 3.1362513 0.1818655 0.0400777 0.3785702 2.9096311 41 Si 2.8733947 0.1852853 0.1009560 -0.0332121 3.3090774 -0.0833300 0.0991104 -0.5211743 2.9748214 42 Si 2.8733947 -0.1852853 0.1009560 0.0332121 3.3090774 0.0833300 0.0991104 0.5211743 2.9748214 43 Si 2.8733947 0.1852853 0.1009560 -0.0332121 3.3090774 -0.0833300 0.0991104 -0.5211743 2.9748214 44 Si 2.8733947 -0.1852853 0.1009560 0.0332121 3.3090774 0.0833300 0.0991104 0.5211743 2.9748214 45 Ca 2.5244089 -0.2300192 -0.0302384 -0.1353931 2.4096095 0.1371363 -0.0219864 0.2138812 2.1515214 46 Ca 2.5244089 0.2300192 -0.0302384 0.1353931 2.4096095 -0.1371363 -0.0219864 -0.2138812 2.1515214 47 Ca 2.5244089 -0.2300192 -0.0302384 -0.1353931 2.4096095 0.1371363 -0.0219864 0.2138812 2.1515214 48 Ca 2.5244089 0.2300192 -0.0302384 0.1353931 2.4096095 -0.1371363 -0.0219864 -0.2138812 2.1515214 49 Ca 2.4850344 0.0574680 0.0480143 0.1320279 2.5333174 -0.2327803 0.0236490 -0.1417399 2.4627684 50 Ca 2.4850344 -0.0574680 0.0480143 -0.1320279 2.5333174 0.2327803 0.0236490 0.1417399 2.4627684 51 Ca 2.4850344 0.0574680 0.0480143 0.1320279 2.5333174 -0.2327803 0.0236490 -0.1417399 2.4627684 52 Ca 2.4850344 -0.0574680 0.0480143 -0.1320279 2.5333174 0.2327803 0.0236490 0.1417399 2.4627684 53 Ca 2.3143933 -0.0002862 -0.0799451 -0.1171925 2.3258422 -0.2073493 0.0300454 -0.1398390 2.6507696 54 Ca 2.3143933 0.0002862 -0.0799451 0.1171925 2.3258422 0.2073493 0.0300454 0.1398390 2.6507696 55 Ca 2.3143933 -0.0002862 -0.0799451 -0.1171925 2.3258422 -0.2073493 0.0300454 -0.1398390 2.6507696 56 Ca 2.3143933 0.0002862 -0.0799451 0.1171925 2.3258422 0.2073493 0.0300454 0.1398390 2.6507696 57 Sn 3.9720474 -0.2637947 0.1951228 -0.1857139 3.6013183 -0.1214832 0.0829861 -0.2214540 4.0149309 58 Sn 3.9720474 0.2637947 0.1951228 0.1857139 3.6013183 0.1214832 0.0829861 0.2214540 4.0149309 59 Sn 3.9720474 -0.2637947 0.1951228 -0.1857139 3.6013183 -0.1214832 0.0829861 -0.2214540 4.0149309 60 Sn 3.9720474 0.2637947 0.1951228 0.1857139 3.6013183 0.1214832 0.0829861 0.2214540 4.0149309 ---------------------------------------------------------------------------- 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 29, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 41, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 81, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 89, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 105, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Computing fc3[ 113, 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] [-0.0002 0.0000 0.0100] [ 0.0002 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:14:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 01:14:54]------------------------- Compiled with OpenMP support (max 32 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 7.332767100176175 0.000000000000000 0.000000000000000 b 0.000000000000000 10.068719950000000 0.000000000000000 c -0.216306456514335 0.000000000000000 10.390588560835157 Atomic positions (fractional): 1 O 0.15827695707603 0.60929568991712 0.98283204204998 15.999 2 O 0.84172304292397 0.10929568991712 0.51716795795002 15.999 3 O 0.84172304292397 0.39070431008288 0.01716795795001 15.999 4 O 0.15827695707603 0.89070431008288 0.48283204204998 15.999 5 O 0.59103032575111 0.88258557267583 0.50954574749009 15.999 6 O 0.40896967424889 0.38258557267583 0.99045425250991 15.999 7 O 0.40896967424889 0.11741442732417 0.49045425250990 15.999 8 O 0.59103032575111 0.61741442732417 0.00954574749009 15.999 9 O 0.88005478716506 0.82968333315983 0.95656346587910 15.999 10 O 0.11994521283494 0.32968333315983 0.54343653412090 15.999 11 O 0.11994521283494 0.17031666684017 0.04343653412090 15.999 12 O 0.88005478716506 0.67031666684017 0.45656346587910 15.999 13 O 0.80196970575220 0.00234020466515 0.76419490337140 15.999 14 O 0.19803029424780 0.50234020466516 0.73580509662860 15.999 15 O 0.64587498328045 0.10764162068619 0.03115437564318 15.999 16 O 0.19803029424780 0.99765979533484 0.23580509662860 15.999 17 O 0.85260685305994 0.76849463174147 0.22008939269814 15.999 18 O 0.14739314694006 0.26849463174147 0.27991060730186 15.999 19 O 0.14739314694006 0.23150536825853 0.77991060730186 15.999 20 O 0.85260685305994 0.73150536825853 0.72008939269814 15.999 21 O 0.60166986793758 0.23132370565145 0.73979544242795 15.999 22 O 0.39833013206242 0.73132370565145 0.76020455757205 15.999 23 O 0.39833013206242 0.76867629434855 0.26020455757205 15.999 24 O 0.60166986793758 0.26867629434855 0.23979544242795 15.999 25 O 0.11587438357664 0.60766019720471 0.26743227045542 15.999 26 O 0.88412561642336 0.10766019720471 0.23256772954458 15.999 27 O 0.88412561642336 0.39233980279529 0.73256772954459 15.999 28 O 0.11587438357664 0.89233980279529 0.76743227045541 15.999 29 O 0.58583043366775 0.99544843060654 0.25865927547063 15.999 30 O 0.41416956633225 0.49544843060654 0.24134072452937 15.999 31 O 0.41416956633225 0.00455156939346 0.74134072452937 15.999 32 O 0.58583043366775 0.50455156939346 0.75865927547063 15.999 33 O 0.64587498328045 0.39235837931381 0.53115437564318 15.999 34 O 0.35412501671955 0.89235837931381 0.96884562435682 15.999 35 O 0.35412501671955 0.60764162068619 0.46884562435682 15.999 36 O 0.80196970575220 0.49765979533485 0.26419490337140 15.999 37 Si 0.89924162350599 0.86293758208756 0.80543045856646 28.085 38 Si 0.10075837649401 0.36293758208756 0.69456954143354 28.085 39 Si 0.10075837649401 0.13706241791244 0.19456954143354 28.085 40 Si 0.89924162350599 0.63706241791244 0.30543045856646 28.085 41 Si 0.33247465358953 0.87526918765529 0.81558767282335 28.085 42 Si 0.66752534641047 0.37526918765529 0.68441232717665 28.085 43 Si 0.66752534641047 0.12473081234471 0.18441232717665 28.085 44 Si 0.33247465358953 0.62473081234471 0.31558767282335 28.085 45 Ca 0.13706112799064 0.07993774771531 0.61023263075682 40.078 46 Ca 0.86293887200936 0.57993774771531 0.88976736924318 40.078 47 Ca 0.86293887200936 0.92006225228469 0.38976736924318 40.078 48 Ca 0.13706112799064 0.42006225228469 0.11023263075682 40.078 49 Ca 0.61843729993572 0.66571034471790 0.58384474666929 40.078 50 Ca 0.38156270006428 0.16571034471790 0.91615525333071 40.078 51 Ca 0.38156270006428 0.33428965528210 0.41615525333071 40.078 52 Ca 0.61843729993572 0.83428965528210 0.08384474666929 40.078 53 Ca 0.12718021299177 0.69636119313881 0.59699859662934 40.078 54 Ca 0.87281978700823 0.19636119313881 0.90300140337066 40.078 55 Ca 0.87281978700823 0.30363880686119 0.40300140337066 40.078 56 Ca 0.12718021299177 0.80363880686119 0.09699859662934 40.078 57 Sn 0.61980573919082 0.44038686846653 0.11758273732443 118.710 58 Sn 0.38019426080918 0.94038686846653 0.38241726267557 118.710 59 Sn 0.38019426080918 0.55961313153347 0.88241726267557 118.710 60 Sn 0.61980573919082 0.05961313153347 0.61758273732443 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.665534200352351 0.000000000000000 0.000000000000000 b 0.000000000000000 10.068719950000000 0.000000000000000 c -0.216306456514335 0.000000000000000 10.390588560835157 Atomic positions (fractional): 1 O 0.07913847853801 0.60929568991712 0.98283204204998 15.999 > 1 2 O 0.57913847853801 0.60929568991712 0.98283204204998 15.999 > 1 3 O 0.42086152146199 0.10929568991712 0.51716795795002 15.999 > 3 4 O 0.92086152146199 0.10929568991712 0.51716795795002 15.999 > 3 5 O 0.42086152146199 0.39070431008288 0.01716795795001 15.999 > 5 6 O 0.92086152146199 0.39070431008288 0.01716795795001 15.999 > 5 7 O 0.07913847853801 0.89070431008288 0.48283204204998 15.999 > 7 8 O 0.57913847853801 0.89070431008288 0.48283204204998 15.999 > 7 9 O 0.29551516287555 0.88258557267583 0.50954574749009 15.999 > 9 10 O 0.79551516287555 0.88258557267583 0.50954574749009 15.999 > 9 11 O 0.20448483712445 0.38258557267583 0.99045425250991 15.999 > 11 12 O 0.70448483712445 0.38258557267583 0.99045425250991 15.999 > 11 13 O 0.20448483712445 0.11741442732417 0.49045425250990 15.999 > 13 14 O 0.70448483712445 0.11741442732417 0.49045425250990 15.999 > 13 15 O 0.29551516287555 0.61741442732417 0.00954574749009 15.999 > 15 16 O 0.79551516287555 0.61741442732417 0.00954574749009 15.999 > 15 17 O 0.44002739358253 0.82968333315983 0.95656346587910 15.999 > 17 18 O 0.94002739358253 0.82968333315983 0.95656346587910 15.999 > 17 19 O 0.05997260641747 0.32968333315983 0.54343653412090 15.999 > 19 20 O 0.55997260641747 0.32968333315983 0.54343653412090 15.999 > 19 21 O 0.05997260641747 0.17031666684017 0.04343653412090 15.999 > 21 22 O 0.55997260641747 0.17031666684017 0.04343653412090 15.999 > 21 23 O 0.44002739358253 0.67031666684017 0.45656346587910 15.999 > 23 24 O 0.94002739358253 0.67031666684017 0.45656346587910 15.999 > 23 25 O 0.40098485287610 0.00234020466515 0.76419490337140 15.999 > 25 26 O 0.90098485287610 0.00234020466515 0.76419490337140 15.999 > 25 27 O 0.09901514712390 0.50234020466516 0.73580509662860 15.999 > 27 28 O 0.59901514712390 0.50234020466516 0.73580509662860 15.999 > 27 29 O 0.32293749164022 0.10764162068619 0.03115437564318 15.999 > 29 30 O 0.82293749164022 0.10764162068619 0.03115437564318 15.999 > 29 31 O 0.09901514712390 0.99765979533484 0.23580509662860 15.999 > 31 32 O 0.59901514712390 0.99765979533484 0.23580509662860 15.999 > 31 33 O 0.42630342652997 0.76849463174147 0.22008939269814 15.999 > 33 34 O 0.92630342652997 0.76849463174147 0.22008939269814 15.999 > 33 35 O 0.07369657347003 0.26849463174147 0.27991060730186 15.999 > 35 36 O 0.57369657347003 0.26849463174147 0.27991060730186 15.999 > 35 37 O 0.07369657347003 0.23150536825853 0.77991060730186 15.999 > 37 38 O 0.57369657347003 0.23150536825853 0.77991060730186 15.999 > 37 39 O 0.42630342652997 0.73150536825853 0.72008939269814 15.999 > 39 40 O 0.92630342652997 0.73150536825853 0.72008939269814 15.999 > 39 41 O 0.30083493396879 0.23132370565145 0.73979544242795 15.999 > 41 42 O 0.80083493396879 0.23132370565145 0.73979544242795 15.999 > 41 43 O 0.19916506603121 0.73132370565145 0.76020455757205 15.999 > 43 44 O 0.69916506603121 0.73132370565145 0.76020455757205 15.999 > 43 45 O 0.19916506603121 0.76867629434855 0.26020455757205 15.999 > 45 46 O 0.69916506603121 0.76867629434855 0.26020455757205 15.999 > 45 47 O 0.30083493396879 0.26867629434855 0.23979544242795 15.999 > 47 48 O 0.80083493396879 0.26867629434855 0.23979544242795 15.999 > 47 49 O 0.05793719178832 0.60766019720471 0.26743227045542 15.999 > 49 50 O 0.55793719178832 0.60766019720471 0.26743227045542 15.999 > 49 51 O 0.44206280821168 0.10766019720471 0.23256772954458 15.999 > 51 52 O 0.94206280821168 0.10766019720471 0.23256772954458 15.999 > 51 53 O 0.44206280821168 0.39233980279529 0.73256772954459 15.999 > 53 54 O 0.94206280821168 0.39233980279529 0.73256772954459 15.999 > 53 55 O 0.05793719178832 0.89233980279529 0.76743227045541 15.999 > 55 56 O 0.55793719178832 0.89233980279529 0.76743227045541 15.999 > 55 57 O 0.29291521683387 0.99544843060654 0.25865927547063 15.999 > 57 58 O 0.79291521683387 0.99544843060654 0.25865927547063 15.999 > 57 59 O 0.20708478316613 0.49544843060654 0.24134072452937 15.999 > 59 60 O 0.70708478316613 0.49544843060654 0.24134072452937 15.999 > 59 61 O 0.20708478316613 0.00455156939346 0.74134072452937 15.999 > 61 62 O 0.70708478316613 0.00455156939346 0.74134072452937 15.999 > 61 63 O 0.29291521683387 0.50455156939346 0.75865927547063 15.999 > 63 64 O 0.79291521683387 0.50455156939346 0.75865927547063 15.999 > 63 65 O 0.32293749164022 0.39235837931381 0.53115437564318 15.999 > 65 66 O 0.82293749164022 0.39235837931381 0.53115437564318 15.999 > 65 67 O 0.17706250835978 0.89235837931381 0.96884562435682 15.999 > 67 68 O 0.67706250835978 0.89235837931381 0.96884562435682 15.999 > 67 69 O 0.17706250835978 0.60764162068619 0.46884562435682 15.999 > 69 70 O 0.67706250835978 0.60764162068619 0.46884562435682 15.999 > 69 71 O 0.40098485287610 0.49765979533485 0.26419490337140 15.999 > 71 72 O 0.90098485287610 0.49765979533485 0.26419490337140 15.999 > 71 73 Si 0.44962081175300 0.86293758208756 0.80543045856646 28.085 > 73 74 Si 0.94962081175299 0.86293758208756 0.80543045856646 28.085 > 73 75 Si 0.05037918824700 0.36293758208756 0.69456954143354 28.085 > 75 76 Si 0.55037918824701 0.36293758208756 0.69456954143354 28.085 > 75 77 Si 0.05037918824700 0.13706241791244 0.19456954143354 28.085 > 77 78 Si 0.55037918824701 0.13706241791244 0.19456954143354 28.085 > 77 79 Si 0.44962081175300 0.63706241791244 0.30543045856646 28.085 > 79 80 Si 0.94962081175299 0.63706241791244 0.30543045856646 28.085 > 79 81 Si 0.16623732679476 0.87526918765529 0.81558767282335 28.085 > 81 82 Si 0.66623732679476 0.87526918765529 0.81558767282335 28.085 > 81 83 Si 0.33376267320524 0.37526918765529 0.68441232717665 28.085 > 83 84 Si 0.83376267320524 0.37526918765529 0.68441232717665 28.085 > 83 85 Si 0.33376267320524 0.12473081234471 0.18441232717665 28.085 > 85 86 Si 0.83376267320524 0.12473081234471 0.18441232717665 28.085 > 85 87 Si 0.16623732679476 0.62473081234471 0.31558767282335 28.085 > 87 88 Si 0.66623732679476 0.62473081234471 0.31558767282335 28.085 > 87 89 Ca 0.06853056399532 0.07993774771531 0.61023263075682 40.078 > 89 90 Ca 0.56853056399532 0.07993774771531 0.61023263075682 40.078 > 89 91 Ca 0.43146943600468 0.57993774771531 0.88976736924318 40.078 > 91 92 Ca 0.93146943600468 0.57993774771531 0.88976736924318 40.078 > 91 93 Ca 0.43146943600468 0.92006225228469 0.38976736924318 40.078 > 93 94 Ca 0.93146943600468 0.92006225228469 0.38976736924318 40.078 > 93 95 Ca 0.06853056399532 0.42006225228469 0.11023263075682 40.078 > 95 96 Ca 0.56853056399532 0.42006225228469 0.11023263075682 40.078 > 95 97 Ca 0.30921864996786 0.66571034471790 0.58384474666929 40.078 > 97 98 Ca 0.80921864996786 0.66571034471790 0.58384474666929 40.078 > 97 99 Ca 0.19078135003214 0.16571034471790 0.91615525333071 40.078 > 99 100 Ca 0.69078135003214 0.16571034471790 0.91615525333071 40.078 > 99 101 Ca 0.19078135003214 0.33428965528210 0.41615525333071 40.078 > 101 102 Ca 0.69078135003214 0.33428965528210 0.41615525333071 40.078 > 101 103 Ca 0.30921864996786 0.83428965528210 0.08384474666929 40.078 > 103 104 Ca 0.80921864996786 0.83428965528210 0.08384474666929 40.078 > 103 105 Ca 0.06359010649589 0.69636119313881 0.59699859662934 40.078 > 105 106 Ca 0.56359010649589 0.69636119313881 0.59699859662934 40.078 > 105 107 Ca 0.43640989350411 0.19636119313881 0.90300140337066 40.078 > 107 108 Ca 0.93640989350411 0.19636119313881 0.90300140337066 40.078 > 107 109 Ca 0.43640989350411 0.30363880686119 0.40300140337066 40.078 > 109 110 Ca 0.93640989350411 0.30363880686119 0.40300140337066 40.078 > 109 111 Ca 0.06359010649589 0.80363880686119 0.09699859662934 40.078 > 111 112 Ca 0.56359010649589 0.80363880686119 0.09699859662934 40.078 > 111 113 Sn 0.30990286959541 0.44038686846653 0.11758273732443 118.710 > 113 114 Sn 0.80990286959541 0.44038686846653 0.11758273732443 118.710 > 113 115 Sn 0.19009713040459 0.94038686846653 0.38241726267557 118.710 > 115 116 Sn 0.69009713040459 0.94038686846653 0.38241726267557 118.710 > 115 117 Sn 0.19009713040459 0.55961313153347 0.88241726267557 118.710 > 117 118 Sn 0.69009713040459 0.55961313153347 0.88241726267557 118.710 > 117 119 Sn 0.30990286959541 0.05961313153347 0.61758273732443 118.710 > 119 120 Sn 0.80990286959541 0.05961313153347 0.61758273732443 118.710 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2976902 0.0000000 0.0180149 0.0000000 3.2824338 0.0000000 0.0180173 0.0000000 3.3046557 -------------------------- Born effective charges -------------------------- 1 O -2.2219115 0.0941743 0.1787563 0.1541006 -1.9837694 -0.1186786 0.1633552 0.0037830 -1.8067600 2 O -2.2219115 -0.0941743 0.1787563 -0.1541006 -1.9837694 0.1186786 0.1633552 -0.0037830 -1.8067600 3 O -2.2219115 0.0941743 0.1787563 0.1541006 -1.9837694 -0.1186786 0.1633552 0.0037830 -1.8067600 4 O -2.2219115 -0.0941743 0.1787563 -0.1541006 -1.9837694 0.1186786 0.1633552 -0.0037830 -1.8067600 5 O -1.9597617 -0.0073647 -0.2237339 0.0217700 -2.0858073 -0.0247014 -0.2164247 -0.0763904 -1.8072301 6 O -1.9597617 0.0073647 -0.2237339 -0.0217700 -2.0858073 0.0247014 -0.2164247 0.0763904 -1.8072301 7 O -1.9597617 -0.0073647 -0.2237339 0.0217700 -2.0858073 -0.0247014 -0.2164247 -0.0763904 -1.8072301 8 O -1.9597617 0.0073647 -0.2237339 -0.0217700 -2.0858073 0.0247014 -0.2164247 0.0763904 -1.8072301 9 O -1.7303770 0.0502921 0.0736693 0.0435907 -1.5838998 0.1787919 0.0468637 0.2058891 -2.3319779 10 O -1.7303770 -0.0502921 0.0736693 -0.0435907 -1.5838998 -0.1787919 0.0468637 -0.2058891 -2.3319779 11 O -1.7303770 0.0502921 0.0736693 0.0435907 -1.5838998 0.1787919 0.0468637 0.2058891 -2.3319779 12 O -1.7303770 -0.0502921 0.0736693 -0.0435907 -1.5838998 -0.1787919 0.0468637 -0.2058891 -2.3319779 13 O -1.7406950 0.5158983 -0.4449241 0.4014264 -2.1720673 0.3101382 -0.4745806 0.3579095 -1.8052417 14 O -1.7406950 -0.5158983 -0.4449241 -0.4014264 -2.1720673 -0.3101382 -0.4745806 -0.3579095 -1.8052417 15 O -1.6144061 -0.0825316 -0.0974687 -0.0557945 -1.6286062 0.0952137 -0.0714622 0.1466926 -2.2510241 16 O -1.7406950 0.5158983 -0.4449241 0.4014264 -2.1720673 0.3101382 -0.4745806 0.3579095 -1.8052417 17 O -1.7252283 0.2210955 -0.1518602 0.1429487 -1.9940471 0.1464817 -0.1000223 0.1535117 -1.9596094 18 O -1.7252283 -0.2210955 -0.1518602 -0.1429487 -1.9940471 -0.1464817 -0.1000223 -0.1535117 -1.9596094 19 O -1.7252283 0.2210955 -0.1518602 0.1429487 -1.9940471 0.1464817 -0.1000223 0.1535117 -1.9596094 20 O -1.7252283 -0.2210955 -0.1518602 -0.1429487 -1.9940471 -0.1464817 -0.1000223 -0.1535117 -1.9596094 21 O -1.4700373 -0.2414452 0.1070007 -0.2254633 -2.4340266 -0.1166194 0.0412238 -0.2043567 -1.7780177 22 O -1.4700373 0.2414452 0.1070007 0.2254633 -2.4340266 0.1166194 0.0412238 0.2043567 -1.7780177 23 O -1.4700373 -0.2414452 0.1070007 -0.2254633 -2.4340266 -0.1166194 0.0412238 -0.2043567 -1.7780177 24 O -1.4700373 0.2414452 0.1070007 0.2254633 -2.4340266 0.1166194 0.0412238 0.2043567 -1.7780177 25 O -2.9485637 0.0702712 -0.0043350 0.0630511 -1.4200623 -0.1640122 -0.0706970 -0.1706327 -1.4462870 26 O -2.9485637 -0.0702712 -0.0043350 -0.0630511 -1.4200623 0.1640122 -0.0706970 0.1706327 -1.4462870 27 O -2.9485637 0.0702712 -0.0043350 0.0630511 -1.4200623 -0.1640122 -0.0706970 -0.1706327 -1.4462870 28 O -2.9485637 -0.0702712 -0.0043350 -0.0630511 -1.4200623 0.1640122 -0.0706970 0.1706327 -1.4462870 29 O -1.8076772 -0.4524502 0.4276888 -0.2980471 -2.0131301 0.3652837 0.4278619 0.4965440 -1.9782950 30 O -1.8076772 0.4524502 0.4276888 0.2980471 -2.0131301 -0.3652837 0.4278619 -0.4965440 -1.9782950 31 O -1.8076772 -0.4524502 0.4276888 -0.2980471 -2.0131301 0.3652837 0.4278619 0.4965440 -1.9782950 32 O -1.8076772 0.4524502 0.4276888 0.2980471 -2.0131301 -0.3652837 0.4278619 -0.4965440 -1.9782950 33 O -1.6144061 0.0825316 -0.0974687 0.0557945 -1.6286062 -0.0952137 -0.0714622 -0.1466926 -2.2510241 34 O -1.6144061 -0.0825316 -0.0974687 -0.0557945 -1.6286062 0.0952137 -0.0714622 0.1466926 -2.2510241 35 O -1.6144061 0.0825316 -0.0974687 0.0557945 -1.6286062 -0.0952137 -0.0714622 -0.1466926 -2.2510241 36 O -1.7406950 -0.5158983 -0.4449241 -0.4014264 -2.1720673 -0.3101382 -0.4745806 -0.3579095 -1.8052417 37 Si 3.0493791 -0.2239045 -0.0987028 -0.1395253 3.1362513 -0.1818655 0.0400777 -0.3785702 2.9096311 38 Si 3.0493791 0.2239045 -0.0987028 0.1395253 3.1362513 0.1818655 0.0400777 0.3785702 2.9096311 39 Si 3.0493791 -0.2239045 -0.0987028 -0.1395253 3.1362513 -0.1818655 0.0400777 -0.3785702 2.9096311 40 Si 3.0493791 0.2239045 -0.0987028 0.1395253 3.1362513 0.1818655 0.0400777 0.3785702 2.9096311 41 Si 2.8733947 0.1852853 0.1009560 -0.0332121 3.3090774 -0.0833300 0.0991104 -0.5211743 2.9748214 42 Si 2.8733947 -0.1852853 0.1009560 0.0332121 3.3090774 0.0833300 0.0991104 0.5211743 2.9748214 43 Si 2.8733947 0.1852853 0.1009560 -0.0332121 3.3090774 -0.0833300 0.0991104 -0.5211743 2.9748214 44 Si 2.8733947 -0.1852853 0.1009560 0.0332121 3.3090774 0.0833300 0.0991104 0.5211743 2.9748214 45 Ca 2.5244089 -0.2300192 -0.0302384 -0.1353931 2.4096095 0.1371363 -0.0219864 0.2138812 2.1515214 46 Ca 2.5244089 0.2300192 -0.0302384 0.1353931 2.4096095 -0.1371363 -0.0219864 -0.2138812 2.1515214 47 Ca 2.5244089 -0.2300192 -0.0302384 -0.1353931 2.4096095 0.1371363 -0.0219864 0.2138812 2.1515214 48 Ca 2.5244089 0.2300192 -0.0302384 0.1353931 2.4096095 -0.1371363 -0.0219864 -0.2138812 2.1515214 49 Ca 2.4850344 0.0574680 0.0480143 0.1320279 2.5333174 -0.2327803 0.0236490 -0.1417399 2.4627684 50 Ca 2.4850344 -0.0574680 0.0480143 -0.1320279 2.5333174 0.2327803 0.0236490 0.1417399 2.4627684 51 Ca 2.4850344 0.0574680 0.0480143 0.1320279 2.5333174 -0.2327803 0.0236490 -0.1417399 2.4627684 52 Ca 2.4850344 -0.0574680 0.0480143 -0.1320279 2.5333174 0.2327803 0.0236490 0.1417399 2.4627684 53 Ca 2.3143933 -0.0002862 -0.0799451 -0.1171925 2.3258422 -0.2073493 0.0300454 -0.1398390 2.6507696 54 Ca 2.3143933 0.0002862 -0.0799451 0.1171925 2.3258422 0.2073493 0.0300454 0.1398390 2.6507696 55 Ca 2.3143933 -0.0002862 -0.0799451 -0.1171925 2.3258422 -0.2073493 0.0300454 -0.1398390 2.6507696 56 Ca 2.3143933 0.0002862 -0.0799451 0.1171925 2.3258422 0.2073493 0.0300454 0.1398390 2.6507696 57 Sn 3.9720474 -0.2637947 0.1951228 -0.1857139 3.6013183 -0.1214832 0.0829861 -0.2214540 4.0149309 58 Sn 3.9720474 0.2637947 0.1951228 0.1857139 3.6013183 0.1214832 0.0829861 0.2214540 4.0149309 59 Sn 3.9720474 -0.2637947 0.1951228 -0.1857139 3.6013183 -0.1214832 0.0829861 -0.2214540 4.0149309 60 Sn 3.9720474 0.2637947 0.1951228 0.1857139 3.6013183 0.1214832 0.0829861 0.2214540 4.0149309 ---------------------------------------------------------------------------- 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 (zz) -0.00000000 (zz) --------------------------- 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 ... [ 7 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.45, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.610 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.798 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.378 ( 0.000 0.000 0.000) 0.000 3.430 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.594 ( 0.000 0.000 0.000) 0.000 3.647 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.110 ( 0.000 0.000 0.000) 0.000 4.151 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.465 ( 0.000 0.000 0.000) 0.000 4.502 ( 0.000 0.000 0.000) 0.000 4.524 ( 0.000 0.000 0.000) 0.000 4.611 ( 0.000 0.000 0.000) 0.000 4.779 ( 0.000 0.000 0.000) 0.000 4.802 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.066 ( 0.000 0.000 0.000) 0.000 5.120 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 0.000) 0.000 5.264 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.436 ( 0.000 0.000 0.000) 0.000 5.526 ( 0.000 0.000 0.000) 0.000 5.537 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.723 ( 0.000 0.000 0.000) 0.000 5.844 ( 0.000 0.000 0.000) 0.000 5.869 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.184 ( 0.000 0.000 0.000) 0.000 6.217 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.589 ( 0.000 0.000 0.000) 0.000 6.727 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.782 ( 0.000 0.000 0.000) 0.000 6.800 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.158 ( 0.000 0.000 0.000) 0.000 7.214 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.259 ( 0.000 0.000 0.000) 0.000 7.348 ( 0.000 0.000 0.000) 0.000 7.396 ( 0.000 0.000 0.000) 0.000 7.502 ( 0.000 0.000 0.000) 0.000 7.583 ( 0.000 0.000 0.000) 0.000 7.585 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.718 ( 0.000 0.000 0.000) 0.000 7.912 ( 0.000 0.000 0.000) 0.000 8.003 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.238 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 8.556 ( 0.000 0.000 0.000) 0.000 8.784 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 8.844 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 9.014 ( 0.000 0.000 0.000) 0.000 9.231 ( 0.000 0.000 0.000) 0.000 9.295 ( 0.000 0.000 0.000) 0.000 9.343 ( 0.000 0.000 0.000) 0.000 9.370 ( 0.000 0.000 0.000) 0.000 9.437 ( 0.000 0.000 0.000) 0.000 9.632 ( 0.000 0.000 0.000) 0.000 9.796 ( 0.000 0.000 0.000) 0.000 9.917 ( 0.000 0.000 0.000) 0.000 10.026 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.091 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.270 ( 0.000 0.000 0.000) 0.000 10.320 ( 0.000 0.000 0.000) 0.000 10.452 ( 0.000 0.000 0.000) 0.000 10.612 ( 0.000 0.000 0.000) 0.000 10.650 ( 0.000 0.000 0.000) 0.000 10.851 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 11.048 ( 0.000 0.000 0.000) 0.000 11.430 ( 0.000 0.000 0.000) 0.000 11.590 ( 0.000 0.000 0.000) 0.000 11.683 ( 0.000 0.000 0.000) 0.000 11.725 ( 0.000 0.000 0.000) 0.000 11.839 ( 0.000 0.000 0.000) 0.000 11.911 ( 0.000 0.000 0.000) 0.000 11.926 ( 0.000 0.000 0.000) 0.000 12.110 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.555 ( 0.000 0.000 0.000) 0.000 12.678 ( 0.000 0.000 0.000) 0.000 12.876 ( 0.000 0.000 0.000) 0.000 13.121 ( 0.000 0.000 0.000) 0.000 13.134 ( 0.000 0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 13.335 ( 0.000 0.000 0.000) 0.000 13.368 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.830 ( 0.000 0.000 0.000) 0.000 13.934 ( 0.000 0.000 0.000) 0.000 13.981 ( 0.000 0.000 0.000) 0.000 14.007 ( 0.000 0.000 0.000) 0.000 14.134 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.343 ( 0.000 0.000 0.000) 0.000 14.629 ( 0.000 0.000 0.000) 0.000 14.911 ( 0.000 0.000 0.000) 0.000 15.134 ( 0.000 0.000 0.000) 0.000 15.179 ( 0.000 0.000 0.000) 0.000 15.193 ( 0.000 0.000 0.000) 0.000 15.487 ( 0.000 0.000 0.000) 0.000 15.655 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 0.000) 0.000 16.146 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.356 ( 0.000 0.000 0.000) 0.000 16.590 ( 0.000 0.000 0.000) 0.000 16.605 ( 0.000 0.000 0.000) 0.000 16.632 ( 0.000 0.000 0.000) 0.000 17.404 ( 0.000 0.000 0.000) 0.000 17.408 ( 0.000 0.000 0.000) 0.000 17.456 ( 0.000 0.000 0.000) 0.000 17.481 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 19.272 ( 0.000 0.000 0.000) 0.000 19.326 ( 0.000 0.000 0.000) 0.000 19.357 ( 0.000 0.000 0.000) 0.000 25.011 ( 0.000 0.000 0.000) 0.000 25.129 ( 0.000 0.000 0.000) 0.000 25.138 ( 0.000 0.000 0.000) 0.000 25.241 ( 0.000 0.000 0.000) 0.000 26.914 ( 0.000 0.000 0.000) 0.000 26.927 ( 0.000 0.000 0.000) 0.000 26.955 ( 0.000 0.000 0.000) 0.000 27.015 ( 0.000 0.000 0.000) 0.000 27.570 ( 0.000 0.000 0.000) 0.000 27.663 ( 0.000 0.000 0.000) 0.000 28.092 ( 0.000 0.000 0.000) 0.000 28.120 ( 0.000 0.000 0.000) 0.000 28.326 ( 0.000 0.000 0.000) 0.000 28.376 ( 0.000 0.000 0.000) 0.000 28.636 ( 0.000 0.000 0.000) 0.000 28.784 ( 0.000 0.000 0.000) 0.000 28.970 ( 0.000 0.000 0.000) 0.000 29.125 ( 0.000 0.000 0.000) 0.000 29.151 ( 0.000 0.000 0.000) 0.000 29.888 ( 0.000 0.000 0.000) 0.000 30.072 ( 0.000 0.000 0.000) 0.000 30.196 ( 0.000 0.000 0.000) 0.000 30.290 ( 0.000 0.000 0.000) 0.000 30.348 ( 0.000 0.000 0.000) 0.000 30.449 ( 0.000 0.000 0.000) 0.000 30.546 ( 0.000 0.000 0.000) 0.000 30.652 ( 0.000 0.000 0.000) 0.000 30.754 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.742 ( 37.473 0.000 0.747) 37.481 0.766 ( 39.285 0.000 -0.599) 39.290 1.438 ( 70.516 0.000 11.203) 71.400 2.486 ( -6.359 0.000 -7.582) 9.896 2.773 ( -3.504 0.000 0.306) 3.518 2.818 ( -6.176 0.000 3.545) 7.121 3.020 ( 8.636 0.000 1.377) 8.745 3.091 ( 2.390 0.000 -8.010) 8.359 3.181 ( 2.735 0.000 -8.492) 8.921 3.218 ( -12.752 0.000 1.970) 12.903 3.294 ( 6.673 0.000 1.558) 6.852 3.393 ( 1.708 0.000 8.189) 8.365 3.556 ( 3.006 0.000 -6.206) 6.896 3.661 ( 8.723 0.000 1.422) 8.839 3.738 ( 4.200 0.000 -0.874) 4.290 3.764 ( 5.558 0.000 3.432) 6.532 3.781 ( 5.090 0.000 6.160) 7.991 4.044 ( 7.650 0.000 1.023) 7.718 4.071 ( -4.428 0.000 9.821) 10.773 4.113 ( 5.485 0.000 -2.219) 5.917 4.186 ( -0.173 0.000 -0.415) 0.450 4.219 ( 3.705 0.000 -6.070) 7.112 4.250 ( 3.380 0.000 -1.500) 3.698 4.368 ( 5.164 0.000 -5.219) 7.342 4.425 ( -3.201 0.000 2.248) 3.912 4.512 ( 1.265 0.000 -3.346) 3.577 4.637 ( -5.432 0.000 -10.393) 11.727 4.640 ( -8.283 0.000 -2.350) 8.610 4.659 ( 12.640 0.000 -5.410) 13.749 4.860 ( 4.406 0.000 -0.135) 4.408 4.918 ( -2.744 0.000 -6.952) 7.474 5.029 ( -1.445 0.000 2.995) 3.326 5.051 ( -7.091 0.000 0.735) 7.129 5.098 ( 5.564 0.000 -2.375) 6.050 5.133 ( -2.683 0.000 -0.053) 2.683 5.195 ( 3.448 0.000 5.187) 6.228 5.289 ( 2.395 0.000 6.268) 6.710 5.305 ( 1.265 0.000 0.128) 1.271 5.424 ( -0.294 0.000 -1.717) 1.742 5.483 ( -0.932 0.000 -1.485) 1.753 5.483 ( -5.359 0.000 4.232) 6.829 5.604 ( -2.729 0.000 4.405) 5.182 5.661 ( -1.669 0.000 -4.020) 4.353 5.776 ( -8.064 0.000 -3.721) 8.881 5.827 ( -3.214 0.000 0.168) 3.218 5.919 ( -2.516 0.000 1.939) 3.176 6.025 ( 10.305 0.000 4.461) 11.230 6.095 ( -0.096 0.000 -3.214) 3.216 6.117 ( 6.416 0.000 4.401) 7.780 6.238 ( -1.253 0.000 -0.070) 1.255 6.286 ( 2.320 0.000 -3.193) 3.947 6.545 ( -3.773 0.000 0.601) 3.820 6.716 ( -19.863 0.000 14.446) 24.560 6.745 ( 3.612 0.000 0.212) 3.618 6.861 ( 8.355 0.000 1.027) 8.418 6.954 ( -6.459 0.000 0.659) 6.492 6.987 ( 8.645 0.000 1.120) 8.718 7.036 ( -11.276 0.000 -1.187) 11.338 7.094 ( -3.130 0.000 -6.602) 7.306 7.152 ( -7.547 0.000 -8.492) 11.361 7.212 ( -4.363 0.000 4.190) 6.049 7.422 ( -1.024 0.000 -5.794) 5.883 7.422 ( 1.510 0.000 2.730) 3.120 7.493 ( -3.631 0.000 -3.365) 4.951 7.588 ( -4.321 0.000 -11.271) 12.071 7.648 ( -1.176 0.000 3.196) 3.405 7.659 ( 7.141 0.000 2.296) 7.501 7.706 ( -5.036 0.000 3.595) 6.187 7.798 ( -1.167 0.000 -3.235) 3.439 7.941 ( -4.512 0.000 1.825) 4.867 7.969 ( -0.606 0.000 -1.786) 1.886 8.058 ( 0.943 0.000 1.324) 1.626 8.115 ( -5.218 0.000 -2.358) 5.726 8.211 ( -0.092 0.000 3.710) 3.711 8.283 ( 3.150 0.000 4.252) 5.292 8.310 ( 1.803 0.000 -8.802) 8.985 8.673 ( -3.641 0.000 4.033) 5.434 8.771 ( -5.041 0.000 -0.529) 5.069 8.818 ( 1.089 0.000 -6.172) 6.268 8.853 ( 0.444 0.000 -3.727) 3.753 8.891 ( 5.794 0.000 4.150) 7.127 8.985 ( 5.163 0.000 -2.709) 5.831 9.148 ( -0.111 0.000 10.793) 10.794 9.186 ( -1.354 0.000 5.018) 5.198 9.282 ( -3.184 0.000 -1.875) 3.695 9.282 ( -0.936 0.000 -0.472) 1.049 9.447 ( -2.023 0.000 1.043) 2.276 9.554 ( -4.636 0.000 -7.134) 8.508 9.712 ( 0.024 0.000 -5.357) 5.357 9.851 ( -3.455 0.000 -0.561) 3.500 9.902 ( 1.326 0.000 13.712) 13.776 10.048 ( 1.354 0.000 -1.588) 2.087 10.123 ( 1.393 0.000 4.004) 4.240 10.128 ( 2.353 0.000 -0.980) 2.549 10.185 ( 5.475 0.000 -4.745) 7.245 10.207 ( -2.185 0.000 1.743) 2.795 10.285 ( -3.458 0.000 2.348) 4.180 10.520 ( 5.674 0.000 7.393) 9.320 10.580 ( -2.465 0.000 2.656) 3.624 10.663 ( 1.348 0.000 0.685) 1.513 10.852 ( 0.440 0.000 -2.097) 2.143 10.902 ( 1.266 0.000 -6.313) 6.439 11.048 ( 0.489 0.000 -0.017) 0.489 11.098 ( -1.406 0.000 -5.201) 5.387 11.409 ( -2.393 0.000 0.941) 2.571 11.610 ( -2.207 0.000 0.131) 2.211 11.623 ( -4.065 0.000 -3.179) 5.161 11.723 ( 0.120 0.000 3.310) 3.312 11.734 ( -7.594 0.000 2.010) 7.856 11.754 ( -6.281 0.000 -0.505) 6.301 11.990 ( -1.178 0.000 1.049) 1.577 12.102 ( -2.515 0.000 -1.482) 2.919 12.482 ( -6.276 0.000 -1.609) 6.479 12.572 ( 4.613 0.000 2.614) 5.302 12.868 ( -2.449 0.000 2.646) 3.606 12.888 ( 4.063 0.000 4.871) 6.344 13.054 ( -7.717 0.000 -2.416) 8.087 13.214 ( -9.569 0.000 -8.295) 12.664 13.299 ( 7.838 0.000 2.143) 8.126 13.486 ( -2.469 0.000 0.596) 2.540 13.538 ( 18.794 0.000 2.840) 19.007 13.719 ( 5.918 0.000 3.556) 6.904 13.926 ( -3.442 0.000 -4.358) 5.553 14.045 ( 8.157 0.000 1.518) 8.297 14.163 ( 8.492 0.000 0.593) 8.513 14.184 ( 3.902 0.000 -3.382) 5.164 14.201 ( 10.537 0.000 3.291) 11.039 14.301 ( 0.784 0.000 -1.287) 1.507 14.738 ( 8.564 0.000 -1.164) 8.643 14.945 ( 2.701 0.000 -0.767) 2.808 15.129 ( 0.802 0.000 -1.737) 1.913 15.173 ( 0.223 0.000 2.174) 2.186 15.233 ( 2.853 0.000 3.754) 4.715 15.495 ( -1.085 0.000 31.230) 31.249 15.523 ( 3.681 0.000 -1.642) 4.030 15.656 ( -0.229 0.000 7.209) 7.213 16.002 ( 0.735 0.000 0.174) 0.756 16.130 ( -2.222 0.000 1.229) 2.539 16.210 ( -1.002 0.000 -2.139) 2.362 16.272 ( -3.120 0.000 -2.358) 3.911 16.359 ( 0.355 0.000 3.996) 4.012 16.587 ( -1.572 0.000 1.324) 2.055 16.635 ( 0.116 0.000 -1.806) 1.810 16.841 ( 3.416 0.000 -10.015) 10.582 17.393 ( -0.725 0.000 2.622) 2.720 17.407 ( -0.157 0.000 -4.116) 4.119 17.505 ( 1.921 0.000 -0.120) 1.925 17.735 ( 1.666 0.000 -20.165) 20.233 19.072 ( -7.384 0.000 0.028) 7.384 19.208 ( -6.179 0.000 0.296) 6.186 19.272 ( -8.242 0.000 0.209) 8.244 19.272 ( -5.220 0.000 0.487) 5.242 24.952 ( -3.019 0.000 0.166) 3.023 25.229 ( -1.045 0.000 -0.890) 1.373 25.280 ( 11.023 0.000 -0.452) 11.032 26.094 ( 5.506 0.000 -4.126) 6.880 26.913 ( -1.451 0.000 -0.028) 1.451 26.937 ( -1.701 0.000 0.275) 1.723 26.988 ( 0.143 0.000 8.303) 8.304 27.020 ( 0.414 0.000 1.018) 1.099 27.575 ( 0.537 0.000 -0.494) 0.729 27.667 ( 0.353 0.000 -0.106) 0.369 28.120 ( 2.585 0.000 0.131) 2.588 28.226 ( 0.149 0.000 -17.072) 17.073 28.353 ( -2.017 0.000 4.701) 5.115 28.610 ( -0.093 0.000 13.549) 13.549 28.664 ( 3.027 0.000 -0.485) 3.065 28.861 ( 7.204 0.000 -0.109) 7.205 29.024 ( 5.150 0.000 -0.548) 5.179 29.170 ( 1.787 0.000 -15.943) 16.043 29.205 ( 5.471 0.000 1.795) 5.758 29.882 ( -0.714 0.000 0.866) 1.123 30.000 ( -7.644 0.000 -1.507) 7.791 30.197 ( 0.824 0.000 1.487) 1.700 30.227 ( -9.870 0.000 -9.010) 13.364 30.435 ( -3.488 0.000 11.631) 12.143 30.516 ( -1.607 0.000 -12.896) 12.995 30.602 ( 3.913 0.000 -5.067) 6.402 30.706 ( -4.127 0.000 0.547) 4.163 31.095 ( -1.001 0.000 24.498) 24.519 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 33.624 0.000 -0.099) 33.624 1.511 ( 36.108 0.000 0.085) 36.108 2.370 ( -6.303 0.000 -1.538) 6.488 2.521 ( 9.488 0.000 3.121) 9.988 2.575 ( -14.564 0.000 0.787) 14.585 2.784 ( 31.449 0.000 6.276) 32.069 3.055 ( 0.072 0.000 -0.466) 0.472 3.149 ( 1.448 0.000 -9.611) 9.720 3.195 ( 2.302 0.000 2.068) 3.095 3.213 ( 7.554 0.000 -1.794) 7.764 3.386 ( 3.857 0.000 -0.370) 3.874 3.537 ( 9.086 0.000 5.315) 10.526 3.559 ( -2.543 0.000 -7.705) 8.114 3.790 ( 0.959 0.000 2.417) 2.601 3.824 ( 0.419 0.000 1.115) 1.191 3.916 ( -8.016 0.000 4.979) 9.437 3.918 ( 8.413 0.000 1.968) 8.640 3.947 ( 5.609 0.000 9.268) 10.833 4.105 ( -5.943 0.000 -10.269) 11.864 4.162 ( 13.386 0.000 6.874) 15.048 4.215 ( -5.123 0.000 2.488) 5.695 4.293 ( 3.820 0.000 8.641) 9.448 4.351 ( -4.762 0.000 -2.068) 5.191 4.402 ( 7.663 0.000 -6.776) 10.229 4.460 ( 3.427 0.000 2.964) 4.531 4.482 ( 3.576 0.000 2.809) 4.547 4.594 ( 3.532 0.000 -7.773) 8.538 4.602 ( 6.948 0.000 -17.189) 18.541 4.778 ( -6.602 0.000 -6.611) 9.343 4.861 ( -8.904 0.000 1.668) 9.059 4.937 ( 6.715 0.000 -0.415) 6.728 4.972 ( 2.561 0.000 -7.625) 8.044 4.976 ( 6.523 0.000 1.892) 6.791 5.132 ( -5.350 0.000 0.288) 5.357 5.215 ( -2.769 0.000 3.293) 4.303 5.254 ( 4.956 0.000 -6.796) 8.411 5.282 ( -1.416 0.000 5.601) 5.777 5.333 ( 7.638 0.000 2.040) 7.906 5.378 ( -1.715 0.000 5.531) 5.791 5.432 ( 7.023 0.000 4.909) 8.569 5.534 ( -2.740 0.000 3.504) 4.448 5.579 ( -8.775 0.000 2.156) 9.036 5.629 ( -6.670 0.000 1.083) 6.757 5.731 ( 14.915 0.000 -8.499) 17.166 5.821 ( 3.603 0.000 3.114) 4.762 5.900 ( 1.246 0.000 4.096) 4.282 6.052 ( -4.116 0.000 1.286) 4.313 6.113 ( 1.958 0.000 -3.822) 4.295 6.214 ( -9.563 0.000 -2.140) 9.800 6.235 ( -15.049 0.000 3.440) 15.437 6.347 ( 7.091 0.000 1.184) 7.189 6.363 ( 8.566 0.000 -3.698) 9.330 6.473 ( -2.157 0.000 0.996) 2.375 6.803 ( -6.106 0.000 -5.803) 8.424 6.821 ( -1.664 0.000 -3.734) 4.088 6.882 ( -0.548 0.000 6.498) 6.521 6.998 ( -3.123 0.000 3.191) 4.465 7.018 ( 0.866 0.000 -1.343) 1.598 7.058 ( -2.745 0.000 -3.397) 4.367 7.061 ( 1.107 0.000 4.245) 4.387 7.205 ( 1.452 0.000 3.850) 4.115 7.281 ( -13.998 0.000 -10.737) 17.642 7.334 ( -14.348 0.000 -3.439) 14.754 7.365 ( -4.228 0.000 6.222) 7.523 7.410 ( -7.081 0.000 -1.063) 7.160 7.633 ( 0.321 0.000 1.756) 1.785 7.635 ( -2.780 0.000 5.143) 5.846 7.777 ( -2.934 0.000 -5.974) 6.655 7.829 ( 5.314 0.000 2.943) 6.075 7.890 ( -6.095 0.000 -4.387) 7.510 7.897 ( 1.192 0.000 3.040) 3.265 8.018 ( -1.587 0.000 -3.904) 4.214 8.044 ( -2.286 0.000 0.507) 2.341 8.247 ( 1.331 0.000 1.390) 1.924 8.309 ( -0.318 0.000 -1.363) 1.399 8.348 ( 2.516 0.000 6.114) 6.612 8.652 ( 1.743 0.000 -0.518) 1.818 8.665 ( -5.088 0.000 -1.294) 5.250 8.769 ( -5.313 0.000 -8.211) 9.780 8.829 ( -1.858 0.000 -3.399) 3.873 8.942 ( -2.339 0.000 4.059) 4.684 9.067 ( 2.834 0.000 0.962) 2.992 9.132 ( 0.168 0.000 -0.531) 0.557 9.226 ( 3.303 0.000 2.013) 3.868 9.258 ( -0.854 0.000 -1.125) 1.412 9.259 ( -3.384 0.000 1.481) 3.694 9.350 ( -3.792 0.000 0.367) 3.810 9.520 ( 1.378 0.000 -1.015) 1.711 9.709 ( 0.761 0.000 -5.067) 5.124 9.824 ( 0.373 0.000 -2.898) 2.922 9.905 ( -3.995 0.000 5.856) 7.089 10.059 ( 0.654 0.000 7.850) 7.877 10.087 ( 0.330 0.000 -1.162) 1.208 10.117 ( -1.804 0.000 1.263) 2.202 10.205 ( -3.670 0.000 2.964) 4.717 10.297 ( 6.076 0.000 -8.560) 10.497 10.329 ( 8.374 0.000 5.488) 10.012 10.568 ( 1.171 0.000 -1.062) 1.581 10.633 ( 4.010 0.000 0.971) 4.125 10.697 ( 0.937 0.000 1.077) 1.428 10.885 ( 3.085 0.000 2.471) 3.953 10.893 ( -0.572 0.000 -5.773) 5.802 11.054 ( -2.323 0.000 2.821) 3.655 11.068 ( 2.020 0.000 -0.655) 2.124 11.321 ( -8.627 0.000 3.856) 9.449 11.484 ( -3.350 0.000 -3.342) 4.732 11.604 ( -2.251 0.000 0.767) 2.378 11.666 ( 2.823 0.000 -2.735) 3.931 11.700 ( -1.172 0.000 1.473) 1.882 11.719 ( -1.998 0.000 1.763) 2.665 11.945 ( -2.492 0.000 -3.565) 4.349 11.996 ( -6.837 0.000 -2.749) 7.369 12.357 ( -6.057 0.000 2.003) 6.379 12.639 ( 2.270 0.000 5.851) 6.276 12.800 ( -4.077 0.000 1.249) 4.265 12.847 ( -10.695 0.000 -2.315) 10.943 13.019 ( -9.288 0.000 -8.393) 12.518 13.032 ( 8.081 0.000 4.527) 9.263 13.446 ( 7.436 0.000 0.577) 7.459 13.448 ( -1.326 0.000 0.550) 1.436 13.710 ( -8.702 0.000 -0.858) 8.744 13.874 ( 9.450 0.000 0.111) 9.451 13.946 ( 7.756 0.000 1.570) 7.913 14.214 ( 5.385 0.000 1.568) 5.608 14.242 ( 7.923 0.000 -0.291) 7.928 14.290 ( 7.673 0.000 -2.427) 8.048 14.489 ( 13.533 0.000 -7.606) 15.524 14.502 ( 16.843 0.000 4.941) 17.553 14.891 ( 6.244 0.000 -2.114) 6.592 14.977 ( 0.754 0.000 3.926) 3.998 15.199 ( 2.563 0.000 2.911) 3.879 15.204 ( 6.373 0.000 -3.060) 7.070 15.293 ( 2.881 0.000 4.485) 5.331 15.440 ( -5.225 0.000 8.202) 9.725 15.621 ( 5.868 0.000 -1.064) 5.964 15.623 ( -3.829 0.000 2.729) 4.702 16.006 ( -0.500 0.000 0.762) 0.912 16.038 ( -6.043 0.000 -1.760) 6.294 16.190 ( -4.826 0.000 -5.395) 7.239 16.268 ( 6.436 0.000 -0.903) 6.500 16.385 ( 2.367 0.000 6.715) 7.120 16.551 ( -2.167 0.000 2.411) 3.242 16.623 ( -1.518 0.000 -2.783) 3.170 16.911 ( 3.751 0.000 -1.856) 4.186 17.385 ( -0.220 0.000 3.069) 3.077 17.389 ( -1.628 0.000 -4.904) 5.167 17.540 ( 1.539 0.000 0.439) 1.600 17.767 ( 1.911 0.000 -6.134) 6.425 18.898 ( -9.267 0.000 0.070) 9.268 19.062 ( -7.883 0.000 -0.571) 7.903 19.074 ( -10.720 0.000 0.008) 10.720 19.149 ( -6.587 0.000 0.789) 6.634 24.916 ( -0.972 0.000 0.315) 1.022 25.209 ( -0.871 0.000 -0.953) 1.291 25.507 ( 11.176 0.000 -0.788) 11.204 26.217 ( 6.335 0.000 -0.248) 6.339 26.864 ( -3.331 0.000 1.038) 3.489 26.908 ( -1.077 0.000 -0.623) 1.244 26.997 ( 0.604 0.000 1.914) 2.007 27.027 ( 0.148 0.000 1.109) 1.119 27.587 ( 0.574 0.000 -0.537) 0.786 27.674 ( 0.326 0.000 -0.249) 0.410 28.173 ( 2.378 0.000 0.077) 2.380 28.219 ( -0.280 0.000 -8.617) 8.621 28.320 ( -1.369 0.000 4.984) 5.169 28.616 ( 0.200 0.000 4.368) 4.373 28.766 ( 7.658 0.000 -1.247) 7.759 29.034 ( 9.599 0.000 -3.163) 10.107 29.139 ( 5.388 0.000 0.331) 5.399 29.219 ( 4.109 0.000 -0.998) 4.228 29.353 ( 9.079 0.000 3.410) 9.698 29.805 ( -10.802 0.000 -2.903) 11.186 29.850 ( -3.478 0.000 -4.712) 5.857 30.006 ( -11.290 0.000 -0.827) 11.321 30.211 ( -1.495 0.000 3.199) 3.531 30.324 ( -5.278 0.000 0.833) 5.344 30.445 ( -6.690 0.000 -1.830) 6.936 30.655 ( -0.051 0.000 -1.721) 1.722 30.659 ( 1.930 0.000 0.739) 2.067 31.089 ( -0.185 0.000 7.220) 7.222 ======================= Grid point 3 (4/54) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 18.644 0.000 0.091) 18.644 2.069 ( 15.633 0.000 0.044) 15.633 2.232 ( -6.222 0.000 2.031) 6.545 2.414 ( -5.571 0.000 -2.384) 6.060 2.455 ( 5.740 0.000 0.278) 5.747 3.028 ( -13.939 0.000 -6.051) 15.196 3.090 ( 0.128 0.000 3.179) 3.182 3.121 ( 1.635 0.000 2.285) 2.810 3.192 ( 5.563 0.000 2.267) 6.008 3.371 ( -9.085 0.000 -8.074) 12.154 3.566 ( 0.818 0.000 2.274) 2.417 3.594 ( 6.409 0.000 -3.602) 7.352 3.607 ( 7.831 0.000 7.339) 10.732 3.729 ( -5.387 0.000 1.742) 5.662 3.741 ( 1.362 0.000 0.307) 1.397 3.920 ( -3.753 0.000 -0.845) 3.847 3.969 ( 9.171 0.000 5.850) 10.878 4.070 ( -5.598 0.000 -0.357) 5.610 4.140 ( 14.527 0.000 -0.844) 14.551 4.232 ( -5.745 0.000 -1.562) 5.954 4.241 ( 14.913 0.000 0.154) 14.914 4.335 ( -3.108 0.000 -8.320) 8.881 4.400 ( 2.844 0.000 4.588) 5.398 4.488 ( 15.441 0.000 1.632) 15.527 4.490 ( -3.525 0.000 -3.432) 4.919 4.615 ( 0.900 0.000 5.505) 5.578 4.622 ( 0.002 0.000 -5.669) 5.669 4.637 ( -0.481 0.000 -0.864) 0.989 4.821 ( 3.686 0.000 -9.733) 10.407 4.834 ( -9.418 0.000 -2.045) 9.638 4.893 ( -2.177 0.000 5.711) 6.112 4.937 ( 14.781 0.000 8.437) 17.019 5.064 ( 0.679 0.000 0.218) 0.713 5.114 ( -12.787 0.000 4.804) 13.659 5.230 ( -2.686 0.000 0.073) 2.687 5.233 ( 5.390 0.000 -3.476) 6.414 5.305 ( 8.210 0.000 3.752) 9.027 5.353 ( -8.438 0.000 0.971) 8.494 5.428 ( -4.782 0.000 -3.703) 6.048 5.437 ( -5.244 0.000 5.817) 7.832 5.463 ( -1.223 0.000 0.983) 1.569 5.469 ( -4.185 0.000 -4.608) 6.225 5.654 ( 9.177 0.000 -1.812) 9.354 5.735 ( -5.049 0.000 -4.121) 6.517 5.840 ( -5.435 0.000 4.327) 6.948 6.010 ( 1.814 0.000 -3.557) 3.993 6.011 ( 6.402 0.000 5.285) 8.302 6.047 ( 9.668 0.000 -3.298) 10.215 6.243 ( 9.267 0.000 1.396) 9.371 6.291 ( 4.209 0.000 -1.639) 4.517 6.399 ( -0.358 0.000 -0.325) 0.484 6.453 ( -1.377 0.000 1.133) 1.784 6.552 ( 8.150 0.000 -4.750) 9.433 6.687 ( -0.963 0.000 -0.356) 1.026 6.798 ( -9.576 0.000 2.931) 10.015 6.815 ( -8.876 0.000 0.882) 8.920 6.866 ( 0.961 0.000 -2.749) 2.912 6.870 ( -15.238 0.000 -1.483) 15.310 7.008 ( -1.403 0.000 2.216) 2.623 7.093 ( -1.385 0.000 -4.063) 4.293 7.112 ( 0.099 0.000 -0.205) 0.228 7.154 ( -1.200 0.000 3.308) 3.519 7.183 ( -0.792 0.000 3.312) 3.405 7.248 ( -8.106 0.000 -2.251) 8.412 7.401 ( 4.763 0.000 1.906) 5.130 7.596 ( -0.933 0.000 4.348) 4.447 7.640 ( -0.905 0.000 -0.719) 1.156 7.676 ( -5.287 0.000 -5.436) 7.583 7.796 ( -2.485 0.000 -2.256) 3.356 7.835 ( -0.417 0.000 2.181) 2.221 7.873 ( -2.013 0.000 -0.205) 2.023 7.990 ( -2.148 0.000 0.296) 2.168 8.166 ( 10.827 0.000 -0.887) 10.863 8.242 ( -0.390 0.000 0.248) 0.463 8.323 ( 0.540 0.000 0.380) 0.661 8.334 ( -5.200 0.000 3.079) 6.043 8.620 ( 0.755 0.000 5.076) 5.132 8.663 ( -3.828 0.000 -8.207) 9.056 8.725 ( 4.644 0.000 -1.173) 4.790 8.805 ( -0.064 0.000 -2.072) 2.073 8.862 ( -5.002 0.000 2.171) 5.453 9.087 ( -0.070 0.000 0.357) 0.364 9.109 ( -1.398 0.000 -0.364) 1.444 9.113 ( -6.310 0.000 0.102) 6.311 9.264 ( 0.710 0.000 -0.549) 0.897 9.296 ( 2.110 0.000 1.386) 2.525 9.360 ( 1.460 0.000 0.029) 1.460 9.550 ( 0.934 0.000 0.526) 1.072 9.740 ( 1.950 0.000 -6.368) 6.660 9.813 ( -3.601 0.000 5.041) 6.195 9.840 ( 0.720 0.000 -2.580) 2.679 10.009 ( -3.205 0.000 1.164) 3.410 10.135 ( 3.627 0.000 5.828) 6.864 10.151 ( 1.091 0.000 -4.361) 4.495 10.161 ( -0.662 0.000 5.927) 5.964 10.393 ( 3.146 0.000 -6.076) 6.842 10.464 ( 4.395 0.000 3.683) 5.734 10.596 ( 1.393 0.000 -1.861) 2.325 10.657 ( -0.632 0.000 -3.311) 3.371 10.663 ( -2.909 0.000 0.053) 2.909 10.903 ( 0.625 0.000 -1.743) 1.852 10.942 ( 1.861 0.000 2.015) 2.743 11.043 ( 0.549 0.000 4.087) 4.124 11.150 ( -6.212 0.000 1.451) 6.379 11.178 ( 8.429 0.000 1.014) 8.490 11.475 ( 0.762 0.000 -0.592) 0.965 11.499 ( -7.579 0.000 -2.482) 7.975 11.635 ( -3.403 0.000 1.882) 3.889 11.654 ( -2.494 0.000 1.111) 2.730 11.810 ( 7.247 0.000 -0.910) 7.304 11.904 ( -2.822 0.000 -1.499) 3.196 11.907 ( -1.066 0.000 -3.775) 3.923 12.266 ( -2.798 0.000 2.835) 3.983 12.662 ( -6.316 0.000 -2.019) 6.630 12.686 ( 2.315 0.000 7.461) 7.812 12.736 ( -2.130 0.000 -2.087) 2.982 12.869 ( -5.037 0.000 -5.205) 7.243 13.210 ( 9.046 0.000 3.716) 9.779 13.432 ( -0.400 0.000 0.242) 0.467 13.494 ( -10.544 0.000 -2.928) 10.943 13.565 ( 3.703 0.000 0.193) 3.708 13.987 ( -0.494 0.000 0.737) 0.887 14.062 ( 9.157 0.000 0.260) 9.161 14.207 ( -4.734 0.000 -0.803) 4.802 14.434 ( 4.724 0.000 -0.340) 4.737 14.439 ( 6.909 0.000 1.609) 7.094 14.699 ( 6.408 0.000 -4.237) 7.682 14.805 ( 12.387 0.000 -0.868) 12.418 14.968 ( 1.955 0.000 -1.021) 2.205 14.984 ( -1.044 0.000 6.291) 6.377 15.268 ( 3.783 0.000 0.452) 3.810 15.287 ( -2.698 0.000 -0.497) 2.743 15.326 ( -0.276 0.000 2.509) 2.524 15.363 ( 2.398 0.000 0.692) 2.495 15.530 ( -4.526 0.000 -0.851) 4.606 15.717 ( 3.040 0.000 0.374) 3.063 15.938 ( -3.242 0.000 -0.918) 3.370 16.005 ( 1.099 0.000 2.117) 2.386 16.092 ( -4.454 0.000 -4.975) 6.677 16.404 ( 6.436 0.000 -0.773) 6.482 16.451 ( 3.395 0.000 4.620) 5.733 16.500 ( -3.503 0.000 1.879) 3.975 16.575 ( -2.739 0.000 -2.747) 3.879 16.974 ( 2.187 0.000 -0.079) 2.188 17.350 ( -1.609 0.000 -2.156) 2.690 17.382 ( -0.173 0.000 1.445) 1.455 17.561 ( 0.502 0.000 0.308) 0.589 17.795 ( 0.846 0.000 -1.527) 1.746 18.758 ( -4.117 0.000 0.065) 4.117 18.909 ( -5.011 0.000 -0.131) 5.013 18.940 ( -3.639 0.000 -0.380) 3.659 19.050 ( -2.932 0.000 0.410) 2.961 24.906 ( -0.154 0.000 0.167) 0.227 25.197 ( -0.283 0.000 -0.386) 0.479 25.673 ( 4.892 0.000 -0.444) 4.912 26.311 ( 2.712 0.000 0.252) 2.724 26.808 ( -1.875 0.000 0.544) 1.952 26.894 ( -0.353 0.000 -0.301) 0.464 27.012 ( 0.776 0.000 -0.141) 0.789 27.025 ( -0.461 0.000 0.849) 0.966 27.595 ( 0.223 0.000 -0.209) 0.306 27.678 ( 0.098 0.000 -0.153) 0.182 28.204 ( 0.720 0.000 0.015) 0.720 28.211 ( -0.250 0.000 -2.754) 2.765 28.306 ( -0.311 0.000 1.885) 1.911 28.619 ( 0.061 0.000 1.171) 1.173 28.946 ( 9.502 0.000 -2.142) 9.740 29.162 ( 2.766 0.000 -3.687) 4.609 29.165 ( -3.755 0.000 2.919) 4.756 29.375 ( 11.465 0.000 7.165) 13.520 29.530 ( 7.807 0.000 2.569) 8.219 29.642 ( -5.163 0.000 -3.206) 6.078 29.669 ( -12.875 0.000 -10.052) 16.334 29.886 ( -1.790 0.000 4.038) 4.417 30.109 ( -5.253 0.000 0.432) 5.271 30.295 ( -1.672 0.000 -5.113) 5.379 30.315 ( -2.916 0.000 5.462) 6.192 30.671 ( 0.786 0.000 -0.884) 1.183 30.681 ( 0.511 0.000 0.400) 0.650 31.091 ( 0.111 0.000 1.651) 1.655 ======================= Grid point 7 (5/54) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( 0.000 37.984 0.000) 37.984 0.785 ( 0.000 38.963 0.000) 38.963 1.362 ( 0.000 64.168 0.000) 64.168 2.474 ( 0.000 -13.564 0.000) 13.564 2.693 ( 0.000 -14.804 0.000) 14.804 2.735 ( 0.000 -4.746 0.000) 4.746 2.826 ( 0.000 -4.820 0.000) 4.820 2.845 ( 0.000 4.554 0.000) 4.554 3.123 ( 0.000 0.382 0.000) 0.382 3.289 ( 0.000 7.541 0.000) 7.541 3.360 ( 0.000 -6.670 0.000) 6.670 3.393 ( 0.000 3.065 0.000) 3.065 3.551 ( 0.000 -3.030 0.000) 3.030 3.650 ( 0.000 8.004 0.000) 8.004 3.718 ( 0.000 7.610 0.000) 7.610 3.741 ( 0.000 6.428 0.000) 6.428 3.886 ( 0.000 -0.095 0.000) 0.095 3.949 ( 0.000 -4.376 0.000) 4.376 3.979 ( 0.000 2.728 0.000) 2.728 4.148 ( 0.000 4.092 0.000) 4.092 4.200 ( 0.000 5.104 0.000) 5.104 4.253 ( 0.000 6.324 0.000) 6.324 4.280 ( 0.000 -2.343 0.000) 2.343 4.353 ( 0.000 7.991 0.000) 7.991 4.405 ( 0.000 -3.824 0.000) 3.824 4.525 ( 0.000 0.601 0.000) 0.601 4.581 ( 0.000 6.996 0.000) 6.996 4.693 ( 0.000 8.557 0.000) 8.557 4.758 ( 0.000 -3.046 0.000) 3.046 4.808 ( 0.000 -3.066 0.000) 3.066 4.942 ( 0.000 5.547 0.000) 5.547 4.959 ( 0.000 -8.571 0.000) 8.571 5.041 ( 0.000 -5.172 0.000) 5.172 5.064 ( 0.000 -3.654 0.000) 3.654 5.122 ( 0.000 -2.692 0.000) 2.692 5.181 ( 0.000 -2.496 0.000) 2.496 5.367 ( 0.000 2.029 0.000) 2.029 5.374 ( 0.000 -0.711 0.000) 0.711 5.406 ( 0.000 -6.387 0.000) 6.387 5.473 ( 0.000 1.510 0.000) 1.510 5.513 ( 0.000 -1.486 0.000) 1.486 5.559 ( 0.000 -5.473 0.000) 5.473 5.696 ( 0.000 -3.149 0.000) 3.149 5.833 ( 0.000 5.224 0.000) 5.224 5.876 ( 0.000 -6.377 0.000) 6.377 5.996 ( 0.000 2.939 0.000) 2.939 6.090 ( 0.000 -1.161 0.000) 1.161 6.169 ( 0.000 15.049 0.000) 15.049 6.208 ( 0.000 1.747 0.000) 1.747 6.296 ( 0.000 5.447 0.000) 5.447 6.352 ( 0.000 6.533 0.000) 6.533 6.570 ( 0.000 -0.753 0.000) 0.753 6.733 ( 0.000 0.577 0.000) 0.577 6.764 ( 0.000 -2.900 0.000) 2.900 6.804 ( 0.000 0.060 0.000) 0.060 6.887 ( 0.000 -6.961 0.000) 6.961 6.997 ( 0.000 -12.707 0.000) 12.707 6.998 ( 0.000 -2.154 0.000) 2.154 7.157 ( 0.000 -11.540 0.000) 11.540 7.206 ( 0.000 -3.220 0.000) 3.220 7.238 ( 0.000 -2.255 0.000) 2.255 7.388 ( 0.000 -4.443 0.000) 4.443 7.463 ( 0.000 1.404 0.000) 1.404 7.525 ( 0.000 -3.670 0.000) 3.670 7.620 ( 0.000 -0.852 0.000) 0.852 7.650 ( 0.000 0.182 0.000) 0.182 7.718 ( 0.000 4.176 0.000) 4.176 7.782 ( 0.000 4.751 0.000) 4.751 7.810 ( 0.000 -0.342 0.000) 0.342 7.940 ( 0.000 -0.198 0.000) 0.198 8.027 ( 0.000 -0.689 0.000) 0.689 8.092 ( 0.000 6.268 0.000) 6.268 8.095 ( 0.000 -6.054 0.000) 6.054 8.257 ( 0.000 0.468 0.000) 0.468 8.281 ( 0.000 1.243 0.000) 1.243 8.326 ( 0.000 -4.241 0.000) 4.241 8.413 ( 0.000 -7.618 0.000) 7.618 8.764 ( 0.000 -0.348 0.000) 0.348 8.822 ( 0.000 -2.844 0.000) 2.844 8.870 ( 0.000 2.285 0.000) 2.285 8.877 ( 0.000 1.918 0.000) 1.918 9.035 ( 0.000 -7.771 0.000) 7.771 9.139 ( 0.000 0.834 0.000) 0.834 9.151 ( 0.000 8.878 0.000) 8.878 9.278 ( 0.000 0.457 0.000) 0.457 9.331 ( 0.000 -3.847 0.000) 3.847 9.348 ( 0.000 -4.009 0.000) 4.009 9.407 ( 0.000 4.202 0.000) 4.202 9.698 ( 0.000 4.430 0.000) 4.430 9.838 ( 0.000 -3.535 0.000) 3.535 9.881 ( 0.000 2.111 0.000) 2.111 10.034 ( 0.000 -0.932 0.000) 0.932 10.051 ( 0.000 -4.840 0.000) 4.840 10.182 ( 0.000 4.384 0.000) 4.384 10.241 ( 0.000 -2.185 0.000) 2.185 10.305 ( 0.000 0.197 0.000) 0.197 10.508 ( 0.000 4.309 0.000) 4.309 10.547 ( 0.000 0.757 0.000) 0.757 10.606 ( 0.000 0.041 0.000) 0.041 10.808 ( 0.000 -3.004 0.000) 3.004 10.872 ( 0.000 0.046 0.000) 0.046 10.986 ( 0.000 5.044 0.000) 5.044 11.040 ( 0.000 1.687 0.000) 1.687 11.205 ( 0.000 -3.403 0.000) 3.403 11.469 ( 0.000 4.045 0.000) 4.045 11.598 ( 0.000 0.645 0.000) 0.645 11.717 ( 0.000 -0.376 0.000) 0.376 11.835 ( 0.000 -0.537 0.000) 0.537 11.848 ( 0.000 -3.702 0.000) 3.702 11.951 ( 0.000 -2.771 0.000) 2.771 11.982 ( 0.000 4.513 0.000) 4.513 12.121 ( 0.000 0.251 0.000) 0.251 12.535 ( 0.000 2.736 0.000) 2.736 12.674 ( 0.000 -0.424 0.000) 0.424 12.807 ( 0.000 -0.154 0.000) 0.154 12.858 ( 0.000 -1.831 0.000) 1.831 13.075 ( 0.000 -1.296 0.000) 1.296 13.256 ( 0.000 -4.759 0.000) 4.759 13.270 ( 0.000 7.358 0.000) 7.358 13.388 ( 0.000 1.912 0.000) 1.912 13.405 ( 0.000 3.435 0.000) 3.435 13.530 ( 0.000 0.592 0.000) 0.592 13.855 ( 0.000 2.511 0.000) 2.511 13.901 ( 0.000 -4.276 0.000) 4.276 13.995 ( 0.000 -2.484 0.000) 2.484 14.034 ( 0.000 0.209 0.000) 0.209 14.178 ( 0.000 5.231 0.000) 5.231 14.348 ( 0.000 1.672 0.000) 1.672 14.416 ( 0.000 -3.138 0.000) 3.138 14.973 ( 0.000 5.383 0.000) 5.383 15.049 ( 0.000 -7.422 0.000) 7.422 15.107 ( 0.000 -1.833 0.000) 1.833 15.189 ( 0.000 -0.513 0.000) 0.513 15.242 ( 0.000 -1.304 0.000) 1.304 15.636 ( 0.000 -1.182 0.000) 1.182 15.670 ( 0.000 1.599 0.000) 1.599 15.842 ( 0.000 -6.197 0.000) 6.197 15.967 ( 0.000 -4.018 0.000) 4.018 16.208 ( 0.000 5.697 0.000) 5.697 16.358 ( 0.000 0.989 0.000) 0.989 16.493 ( 0.000 -2.143 0.000) 2.143 16.571 ( 0.000 -2.793 0.000) 2.793 16.659 ( 0.000 3.786 0.000) 3.786 16.669 ( 0.000 3.441 0.000) 3.441 17.409 ( 0.000 0.084 0.000) 0.084 17.438 ( 0.000 -1.190 0.000) 1.190 17.497 ( 0.000 1.045 0.000) 1.045 17.545 ( 0.000 -0.623 0.000) 0.623 19.169 ( 0.000 0.869 0.000) 0.869 19.261 ( 0.000 -1.112 0.000) 1.112 19.331 ( 0.000 0.455 0.000) 0.455 19.354 ( 0.000 -0.277 0.000) 0.277 25.028 ( 0.000 1.620 0.000) 1.620 25.142 ( 0.000 1.202 0.000) 1.202 25.143 ( 0.000 -1.061 0.000) 1.061 25.233 ( 0.000 -0.823 0.000) 0.823 26.905 ( 0.000 -0.755 0.000) 0.755 26.946 ( 0.000 1.967 0.000) 1.967 26.962 ( 0.000 -3.726 0.000) 3.726 27.253 ( 0.000 -5.663 0.000) 5.663 27.753 ( 0.000 9.247 0.000) 9.247 27.921 ( 0.000 7.454 0.000) 7.454 28.080 ( 0.000 -0.924 0.000) 0.924 28.142 ( 0.000 1.454 0.000) 1.454 28.323 ( 0.000 -0.308 0.000) 0.308 28.363 ( 0.000 -1.258 0.000) 1.258 28.793 ( 0.000 1.022 0.000) 1.022 28.945 ( 0.000 -2.283 0.000) 2.283 29.063 ( 0.000 1.783 0.000) 1.783 29.141 ( 0.000 1.155 0.000) 1.155 29.879 ( 0.000 -0.685 0.000) 0.685 30.041 ( 0.000 -3.376 0.000) 3.376 30.195 ( 0.000 0.293 0.000) 0.293 30.262 ( 0.000 -2.536 0.000) 2.536 30.346 ( 0.000 -0.104 0.000) 0.104 30.403 ( 0.000 -2.969 0.000) 2.969 30.419 ( 0.000 2.582 0.000) 2.582 30.615 ( 0.000 1.331 0.000) 1.331 30.658 ( 0.000 -0.738 0.000) 0.738 30.727 ( 0.000 -2.120 0.000) 2.120 ======================= Grid point 8 (6/54) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 24.237 27.055 5.742) 36.774 1.157 ( 28.891 27.227 1.140) 39.715 1.918 ( 47.602 41.533 4.145) 63.310 2.401 ( -4.266 -8.588 -3.465) 10.196 2.689 ( 1.438 -13.660 3.881) 14.273 2.728 ( -2.335 -3.491 -2.214) 4.747 2.962 ( 2.377 -6.318 -2.676) 7.261 3.022 ( 8.688 0.209 -1.921) 8.900 3.157 ( 6.834 -1.389 -3.894) 7.987 3.278 ( -2.922 2.872 -0.222) 4.103 3.323 ( 0.234 6.268 0.358) 6.283 3.400 ( 1.975 -3.152 -0.318) 3.733 3.546 ( 0.973 2.793 10.042) 10.468 3.577 ( 2.708 -4.455 -1.128) 5.334 3.762 ( 1.034 6.793 1.498) 7.033 3.842 ( 2.791 4.803 2.554) 6.114 3.879 ( 5.983 3.589 7.146) 9.987 3.994 ( 3.076 -2.719 2.117) 4.619 4.069 ( 7.401 -0.484 -6.949) 10.164 4.129 ( -0.944 2.700 8.170) 8.656 4.262 ( 1.682 1.777 4.732) 5.327 4.288 ( 2.049 4.304 -4.206) 6.358 4.298 ( 2.737 5.242 -5.095) 7.806 4.347 ( 1.974 -0.265 -5.996) 6.319 4.419 ( -0.569 0.267 -8.507) 8.531 4.552 ( -0.806 3.831 -0.384) 3.934 4.616 ( 2.916 -0.766 -4.652) 5.544 4.673 ( 0.986 3.170 -6.017) 6.872 4.735 ( -2.191 5.481 1.357) 6.057 4.830 ( 1.480 -1.287 -1.422) 2.422 4.936 ( 1.632 2.571 -1.103) 3.239 5.031 ( -3.238 -5.631 2.556) 6.980 5.049 ( 6.426 -2.658 1.952) 7.223 5.115 ( 3.448 -1.734 -2.177) 4.431 5.159 ( 0.329 -0.817 1.700) 1.914 5.192 ( 2.044 3.884 3.331) 5.510 5.249 ( -1.904 -1.339 -3.081) 3.861 5.360 ( -2.581 -2.980 -1.532) 4.229 5.368 ( -6.835 -2.885 0.082) 7.419 5.406 ( 0.423 -2.963 7.207) 7.804 5.445 ( -3.577 -2.855 -1.780) 4.911 5.638 ( 3.502 4.102 4.814) 7.229 5.709 ( -0.014 2.419 -3.562) 4.306 5.747 ( -8.496 0.918 -1.394) 8.658 5.886 ( 7.030 -4.410 1.886) 8.511 5.942 ( -8.662 4.248 -1.161) 9.717 6.059 ( -5.619 3.109 -0.870) 6.481 6.120 ( 4.128 0.964 2.476) 4.909 6.218 ( 1.152 10.008 1.090) 10.133 6.250 ( -4.792 0.723 0.761) 4.905 6.342 ( 0.606 6.245 -4.895) 7.958 6.531 ( -3.685 -0.176 4.755) 6.019 6.729 ( -3.114 0.897 -4.220) 5.321 6.748 ( -4.832 -0.865 9.343) 10.554 6.838 ( -3.793 -9.750 -3.244) 10.953 6.915 ( 1.857 -5.898 0.064) 6.184 6.931 ( -3.551 -7.897 3.439) 9.317 6.942 ( -6.619 -0.205 -0.436) 6.636 7.015 ( 1.221 -2.749 -1.492) 3.358 7.111 ( -4.755 -4.645 -4.684) 8.132 7.182 ( -10.944 -2.613 -2.380) 11.500 7.317 ( -1.217 -0.963 0.337) 1.588 7.485 ( -2.312 -1.017 -1.428) 2.902 7.522 ( 3.730 -2.205 6.439) 7.761 7.598 ( -2.087 -2.250 2.363) 3.873 7.634 ( -3.999 0.446 -10.433) 11.182 7.649 ( -2.186 2.909 -1.707) 4.019 7.741 ( -5.119 2.032 0.051) 5.508 7.811 ( 1.093 1.209 -0.883) 1.854 7.945 ( -6.789 -3.976 -2.467) 8.245 7.965 ( -2.637 0.081 5.358) 5.972 8.070 ( -0.661 5.461 -0.117) 5.502 8.107 ( 0.688 -1.691 -2.849) 3.384 8.239 ( 0.348 1.700 2.981) 3.449 8.293 ( 2.232 0.691 4.549) 5.114 8.339 ( 2.429 1.427 -6.090) 6.710 8.508 ( 3.807 -9.763 1.790) 10.631 8.737 ( -4.455 -3.149 -2.344) 5.938 8.773 ( -2.927 -0.030 -3.091) 4.257 8.870 ( 1.701 -1.150 -2.457) 3.202 8.996 ( 1.206 -2.148 0.680) 2.556 9.028 ( 1.499 -4.666 3.721) 6.154 9.073 ( 2.935 6.151 2.242) 7.175 9.191 ( -1.559 -0.834 -0.389) 1.810 9.242 ( -1.530 2.151 3.780) 4.610 9.300 ( 0.901 0.656 1.587) 1.939 9.356 ( -0.757 -1.128 -0.700) 1.528 9.556 ( 5.557 -7.376 -3.668) 9.937 9.702 ( -0.879 6.671 -1.642) 6.926 9.801 ( -2.286 -2.370 -0.641) 3.355 9.920 ( 2.109 3.200 3.812) 5.405 9.975 ( -3.029 -4.843 -1.561) 5.922 10.075 ( 2.773 -2.281 1.219) 3.792 10.218 ( 2.604 2.451 -0.161) 3.580 10.221 ( -2.918 0.661 2.085) 3.647 10.284 ( -1.563 0.211 0.321) 1.609 10.471 ( -5.581 9.605 0.821) 11.139 10.566 ( -2.622 0.023 2.499) 3.622 10.573 ( 3.838 2.720 3.977) 6.160 10.695 ( -5.460 4.087 -0.715) 6.858 10.841 ( -2.615 -1.894 -7.004) 7.712 10.947 ( 1.866 3.906 1.990) 4.764 11.022 ( -1.852 -1.596 -0.606) 2.519 11.119 ( -1.635 1.653 -5.314) 5.800 11.437 ( -3.508 3.155 3.090) 5.640 11.602 ( -2.623 0.693 -0.481) 2.755 11.655 ( -1.466 -0.745 1.745) 2.397 11.677 ( -7.486 0.311 -1.139) 7.578 11.768 ( -5.232 0.508 -2.897) 6.002 11.792 ( -6.458 1.274 2.899) 7.193 12.002 ( -2.326 0.901 1.418) 2.869 12.110 ( -2.250 0.187 -1.015) 2.475 12.479 ( -3.927 2.402 -2.895) 5.438 12.650 ( 1.069 3.921 -1.650) 4.386 12.809 ( 1.535 -1.508 3.918) 4.470 12.978 ( -2.222 0.855 -0.558) 2.445 13.028 ( -3.093 0.716 3.627) 4.820 13.188 ( -3.499 -0.038 -3.288) 4.802 13.374 ( 2.090 4.848 -2.265) 5.745 13.457 ( 1.264 -2.108 3.044) 3.913 13.529 ( 11.573 -1.797 -3.255) 12.156 13.648 ( 9.021 -4.685 6.256) 11.936 13.904 ( 2.152 -1.767 -2.673) 3.860 14.032 ( 8.334 -2.144 4.797) 9.853 14.087 ( 10.289 -3.983 -0.672) 11.053 14.194 ( 5.425 -1.951 2.822) 6.419 14.238 ( 10.307 2.942 0.908) 10.757 14.327 ( 2.752 5.133 -4.204) 7.182 14.544 ( 10.299 -9.584 3.040) 14.393 14.984 ( 4.149 1.417 -8.544) 9.603 15.115 ( 2.275 0.707 -1.279) 2.704 15.197 ( 3.626 -0.372 0.620) 3.698 15.227 ( 2.031 -0.101 2.762) 3.430 15.293 ( 6.736 -9.172 11.719) 16.335 15.582 ( -4.660 1.905 6.694) 8.375 15.700 ( 3.518 0.920 3.853) 5.298 15.899 ( 1.800 -9.588 -3.968) 10.532 15.987 ( 1.082 -6.361 -3.186) 7.196 16.202 ( 0.149 3.778 -0.527) 3.818 16.313 ( -4.045 1.046 5.239) 6.701 16.464 ( -0.936 0.696 -1.987) 2.304 16.511 ( -3.076 -0.118 0.862) 3.197 16.691 ( 3.094 3.057 0.615) 4.392 16.821 ( 7.008 -0.617 -5.244) 8.774 17.363 ( -1.219 -0.585 -1.643) 2.128 17.411 ( -1.725 -0.656 0.312) 1.871 17.535 ( 2.606 1.913 0.271) 3.244 17.659 ( 6.313 -3.957 -8.493) 11.298 19.088 ( -7.539 1.294 0.003) 7.649 19.196 ( -6.323 -1.239 0.313) 6.450 19.252 ( -6.533 -0.597 0.405) 6.573 19.268 ( -8.197 -0.379 0.088) 8.206 24.985 ( -2.483 3.033 0.052) 3.921 25.199 ( 1.024 -1.867 -0.517) 2.192 25.245 ( 8.231 -3.305 -0.379) 8.878 25.520 ( 21.082 -19.684 0.246) 28.844 26.890 ( -1.223 -0.581 0.375) 1.405 26.937 ( -0.522 1.801 -0.033) 1.875 26.979 ( 1.061 -2.079 -1.101) 2.580 27.203 ( -3.768 -0.995 3.781) 5.430 27.744 ( -0.456 10.779 0.169) 10.790 27.883 ( -1.175 14.361 -0.748) 14.428 28.107 ( 2.195 -0.789 -0.549) 2.396 28.212 ( 3.895 -0.427 -6.653) 7.722 28.331 ( 0.423 -0.964 6.247) 6.336 28.422 ( 5.693 -3.859 -1.289) 6.998 28.824 ( 3.030 1.179 0.619) 3.310 28.990 ( 4.355 -2.734 -0.368) 5.155 29.098 ( 1.913 5.815 6.871) 9.202 29.166 ( 3.426 0.732 -0.792) 3.592 29.546 ( -25.895 24.820 -10.097) 37.262 29.888 ( -2.644 1.537 0.893) 3.187 29.965 ( -8.473 -3.347 -3.035) 9.602 30.186 ( -5.428 -1.915 -2.902) 6.446 30.209 ( -2.474 -0.189 -2.565) 3.568 30.421 ( 0.993 -2.555 4.542) 5.305 30.513 ( -5.389 1.487 -6.589) 8.641 30.619 ( 2.228 0.875 -3.826) 4.513 30.681 ( -3.161 -2.287 -0.433) 3.926 30.916 ( 7.954 -11.873 18.300) 23.219 ======================= Grid point 9 (7/54) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 29.084 14.973 2.149) 32.783 1.755 ( 31.085 19.330 -0.064) 36.605 2.332 ( -2.747 -3.709 0.092) 4.616 2.514 ( -4.359 2.746 0.396) 5.167 2.640 ( -6.975 -0.008 -2.704) 7.481 2.909 ( 2.980 -7.790 1.308) 8.443 2.939 ( 25.465 13.204 10.242) 30.458 3.133 ( 0.962 -1.524 -4.261) 4.626 3.171 ( -1.154 0.781 -4.762) 4.961 3.326 ( 12.835 2.370 -3.417) 13.492 3.411 ( 3.803 2.796 -0.639) 4.763 3.520 ( 6.261 -3.580 -0.163) 7.214 3.590 ( 1.424 3.119 -5.462) 6.448 3.715 ( 8.900 -5.510 9.825) 14.356 3.771 ( -0.005 -0.879 3.178) 3.297 3.878 ( 4.282 0.233 1.739) 4.627 3.938 ( -5.282 3.014 8.929) 10.804 4.042 ( -3.217 3.513 -4.270) 6.397 4.134 ( 6.062 2.600 -2.024) 6.899 4.196 ( 7.898 4.756 0.547) 9.236 4.246 ( -0.793 2.711 4.544) 5.350 4.291 ( -5.995 0.069 2.281) 6.415 4.355 ( -2.619 -0.673 -4.302) 5.081 4.447 ( 5.450 2.970 -2.931) 6.864 4.472 ( 8.203 2.629 3.845) 9.434 4.519 ( 9.485 1.088 -6.533) 11.568 4.617 ( 0.522 1.275 -4.660) 4.859 4.644 ( -4.218 5.835 -2.580) 7.649 4.811 ( -5.970 1.184 -2.534) 6.592 4.863 ( -0.394 0.909 -1.801) 2.056 4.914 ( 9.343 -1.809 -4.773) 10.646 4.980 ( -1.830 1.630 -1.821) 3.053 5.080 ( -4.767 7.256 -0.429) 8.692 5.109 ( -3.355 -5.695 5.036) 8.309 5.135 ( 5.087 -1.494 -1.406) 5.485 5.290 ( 8.072 1.492 -2.214) 8.502 5.297 ( 0.628 -3.908 7.560) 8.533 5.346 ( 7.479 0.710 0.639) 7.540 5.360 ( -0.760 4.797 -2.831) 5.622 5.466 ( 2.254 -8.578 0.135) 8.871 5.512 ( 4.699 3.059 7.838) 9.637 5.580 ( -3.167 2.255 0.829) 3.975 5.628 ( 0.714 5.272 4.684) 7.088 5.713 ( -2.300 3.232 -5.044) 6.417 5.888 ( 2.393 2.033 1.597) 3.523 5.973 ( -2.270 1.517 2.509) 3.708 6.031 ( -2.186 -4.452 -0.744) 5.015 6.127 ( 3.757 -0.243 0.376) 3.784 6.158 ( -5.023 -0.715 0.947) 5.162 6.250 ( 0.652 -2.380 -1.769) 3.036 6.313 ( -11.546 2.979 -1.064) 11.971 6.410 ( 4.139 3.031 -1.824) 5.445 6.531 ( -7.788 4.617 0.528) 9.069 6.718 ( -5.752 -8.232 -3.285) 10.566 6.760 ( 0.890 -4.980 -4.289) 6.632 6.816 ( -1.077 -4.204 2.656) 5.088 6.925 ( -0.697 -9.803 -2.701) 10.192 6.940 ( -1.586 -6.160 -4.469) 7.774 6.996 ( -7.694 -2.762 6.380) 10.370 7.065 ( -0.128 -1.233 -3.501) 3.714 7.119 ( 3.290 -1.448 5.331) 6.430 7.253 ( -5.364 -3.306 -0.649) 6.334 7.338 ( -15.231 1.768 -4.893) 16.095 7.427 ( -7.489 1.129 1.039) 7.645 7.460 ( -8.512 2.000 1.655) 8.899 7.560 ( -4.327 -2.110 1.752) 5.123 7.706 ( 1.608 1.881 5.621) 6.141 7.735 ( 3.665 -4.968 -0.646) 6.208 7.778 ( -6.642 -7.711 -1.706) 10.319 7.797 ( -2.284 0.756 -3.031) 3.870 7.948 ( 0.692 1.367 2.846) 3.232 8.045 ( -0.388 5.364 -2.534) 5.945 8.090 ( -1.785 0.640 -2.408) 3.065 8.295 ( 3.115 3.224 2.577) 5.171 8.330 ( -0.492 1.607 -0.926) 1.919 8.372 ( 2.781 2.052 5.300) 6.327 8.551 ( 0.734 -6.612 -0.997) 6.726 8.615 ( -6.233 -5.070 -3.662) 8.830 8.743 ( -0.804 0.408 -4.145) 4.242 8.858 ( -2.707 -0.593 -2.003) 3.420 8.921 ( -3.620 -6.809 -1.848) 7.929 8.998 ( -7.251 -3.867 2.231) 8.515 9.155 ( 0.266 1.630 -4.394) 4.694 9.194 ( 5.202 1.862 2.447) 6.043 9.269 ( 0.978 2.262 0.743) 2.574 9.327 ( 3.248 1.042 2.652) 4.321 9.373 ( 1.641 5.626 2.196) 6.258 9.604 ( 0.093 -1.997 -4.994) 5.379 9.641 ( -1.346 3.329 1.078) 3.749 9.800 ( 0.960 -4.219 0.408) 4.346 9.896 ( -2.562 -0.988 3.513) 4.459 9.972 ( -0.281 -0.839 2.524) 2.674 10.106 ( -0.903 -3.740 -1.911) 4.296 10.143 ( -3.639 2.696 0.096) 4.530 10.238 ( 0.372 2.250 3.022) 3.787 10.341 ( 6.822 2.340 -2.211) 7.544 10.396 ( 0.721 5.620 2.700) 6.276 10.579 ( 1.857 1.584 -0.094) 2.442 10.628 ( -1.292 -3.080 1.099) 3.516 10.682 ( 2.572 1.788 -0.347) 3.152 10.822 ( 1.956 -2.740 -4.389) 5.532 10.981 ( -1.774 0.630 -0.456) 1.937 10.995 ( 2.153 -0.062 0.684) 2.260 11.118 ( 1.770 2.028 -0.998) 2.871 11.313 ( -9.566 1.031 6.119) 11.403 11.486 ( -3.389 0.535 -0.975) 3.567 11.603 ( -3.589 -1.196 1.864) 4.218 11.682 ( 1.878 -0.355 0.861) 2.096 11.711 ( -2.666 -0.188 0.298) 2.689 11.722 ( 0.589 2.436 -3.684) 4.456 11.928 ( -3.885 -1.412 -0.166) 4.137 12.017 ( -6.245 1.190 -2.484) 6.826 12.387 ( -5.094 3.537 -1.895) 6.484 12.659 ( -0.188 0.071 -0.738) 0.765 12.780 ( -4.845 -0.241 5.250) 7.148 12.870 ( -8.080 1.141 0.743) 8.194 13.008 ( -0.773 0.927 -1.783) 2.153 13.078 ( -1.844 2.749 -2.252) 4.004 13.427 ( -0.168 -1.481 0.326) 1.526 13.484 ( 5.988 3.141 0.373) 6.772 13.674 ( -5.923 -3.600 -2.186) 7.268 13.811 ( 10.262 -2.563 0.511) 10.590 13.974 ( 5.776 0.839 2.176) 6.229 14.173 ( 5.405 -4.149 3.325) 7.581 14.235 ( 7.132 -0.598 -1.090) 7.240 14.318 ( 8.877 0.182 0.242) 8.882 14.498 ( 14.651 0.837 2.604) 14.904 14.550 ( 15.403 4.852 -6.802) 17.523 14.731 ( 8.232 -8.030 4.440) 12.327 15.056 ( 2.218 3.061 -3.226) 4.970 15.186 ( 4.156 -0.187 -1.167) 4.321 15.246 ( 4.307 2.159 -0.618) 4.858 15.304 ( 4.401 1.101 4.653) 6.499 15.388 ( 2.198 -9.037 2.232) 9.565 15.485 ( -5.669 1.944 5.149) 7.901 15.757 ( 1.404 4.075 1.396) 4.530 15.885 ( -2.602 -8.976 -2.416) 9.653 15.985 ( -0.512 -5.328 -1.856) 5.665 16.223 ( -4.462 1.881 -0.112) 4.844 16.248 ( 4.076 -1.236 -2.206) 4.797 16.461 ( 0.351 0.812 2.090) 2.269 16.478 ( -0.300 0.331 3.815) 3.841 16.720 ( -0.335 6.150 -0.461) 6.176 16.916 ( 3.743 0.191 -1.716) 4.122 17.360 ( 0.127 -1.424 -1.743) 2.254 17.383 ( -1.090 -0.758 0.581) 1.449 17.576 ( 1.352 2.768 -0.165) 3.085 17.741 ( 2.853 -2.290 -4.639) 5.908 18.914 ( -9.236 1.477 0.038) 9.354 19.042 ( -8.563 -1.707 -0.587) 8.751 19.074 ( -10.122 -0.162 -0.019) 10.124 19.119 ( -6.610 -2.230 0.963) 7.043 24.956 ( -0.693 3.972 0.203) 4.037 25.205 ( 0.226 0.445 -0.602) 0.782 25.421 ( 8.498 -7.759 -0.517) 11.519 25.833 ( 11.246 -24.105 0.307) 26.601 26.867 ( -1.083 1.422 0.503) 1.857 26.928 ( -0.347 2.770 -0.108) 2.793 26.997 ( 0.839 -1.225 -1.483) 2.098 27.144 ( -2.282 1.717 3.490) 4.509 27.744 ( 0.390 12.541 -0.203) 12.548 27.883 ( 0.778 17.408 -1.082) 17.459 28.141 ( 1.030 -0.851 -0.538) 1.440 28.269 ( 2.386 1.814 -5.604) 6.355 28.344 ( 0.522 2.158 4.554) 5.067 28.535 ( 5.000 -5.355 1.221) 7.427 28.891 ( 3.301 5.381 0.797) 6.363 29.085 ( 4.463 -3.962 2.707) 6.553 29.119 ( 2.424 9.610 0.080) 9.911 29.261 ( 4.537 2.855 -4.662) 7.104 29.370 ( 4.909 2.690 1.544) 5.807 29.762 ( -10.684 -4.074 -2.675) 11.743 29.832 ( -4.215 -1.290 -4.336) 6.183 29.988 ( -11.254 -1.710 -0.943) 11.422 30.206 ( -2.349 -0.432 3.535) 4.266 30.361 ( -4.461 3.189 2.819) 6.166 30.391 ( -7.143 -4.767 -4.002) 9.475 30.623 ( -1.079 -2.528 -1.609) 3.184 30.682 ( 2.835 1.707 0.815) 3.408 31.004 ( 2.295 -7.328 5.986) 9.737 ======================= Grid point 10 (8/54) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 15.680 8.283 0.836) 17.754 2.251 ( 7.686 11.838 2.683) 14.367 2.285 ( 2.716 8.726 -2.541) 9.486 2.414 ( -1.896 1.818 1.025) 2.820 2.559 ( 7.566 5.878 -2.191) 9.829 2.951 ( -1.691 -8.266 -0.055) 8.437 2.989 ( -12.849 -2.507 -2.915) 13.412 3.151 ( 3.986 -5.203 3.501) 7.431 3.164 ( 1.765 2.376 2.343) 3.775 3.354 ( -5.011 -7.557 -3.441) 9.699 3.429 ( -9.081 -1.197 -1.479) 9.279 3.682 ( 3.454 4.816 -0.234) 5.931 3.700 ( 3.953 6.595 4.262) 8.791 3.790 ( 3.664 4.846 -0.501) 6.096 3.848 ( -1.207 5.607 -1.747) 5.995 3.879 ( 6.035 -3.545 0.937) 7.062 3.984 ( 1.755 4.850 1.803) 5.464 4.063 ( 8.956 -4.407 1.124) 10.044 4.139 ( -5.842 -3.635 3.656) 7.792 4.239 ( 2.403 5.894 -5.167) 8.198 4.306 ( 0.209 2.676 1.461) 3.057 4.337 ( 3.604 -3.423 -4.991) 7.044 4.364 ( 10.106 4.248 -1.370) 11.047 4.514 ( 1.418 -0.865 -1.830) 2.472 4.534 ( 4.223 -0.952 0.520) 4.361 4.580 ( -4.543 3.889 -1.122) 6.084 4.607 ( 1.118 6.243 -2.006) 6.652 4.698 ( -0.605 0.851 5.132) 5.237 4.805 ( -0.700 -0.413 2.927) 3.038 4.854 ( 9.124 2.309 -5.542) 10.922 4.913 ( -1.836 3.089 2.199) 4.213 5.034 ( -2.466 0.200 0.798) 2.600 5.064 ( 5.507 3.926 3.105) 7.442 5.160 ( -6.361 3.436 1.521) 7.388 5.184 ( 7.707 -4.224 7.266) 11.403 5.252 ( 3.358 1.763 -2.231) 4.400 5.332 ( -5.618 3.360 -2.673) 7.071 5.337 ( -0.700 4.864 -0.830) 4.984 5.460 ( -9.861 3.190 -1.634) 10.492 5.470 ( -5.914 2.352 -1.220) 6.480 5.513 ( 4.284 3.438 5.523) 7.790 5.581 ( 2.534 3.253 -3.776) 5.591 5.660 ( -0.454 3.654 -3.005) 4.753 5.758 ( 0.951 4.058 2.215) 4.720 5.813 ( 4.289 -5.196 2.045) 7.041 5.921 ( 1.537 -4.919 -0.391) 5.168 6.061 ( 4.150 0.439 1.815) 4.550 6.113 ( -1.510 3.869 0.316) 4.165 6.176 ( -0.456 -5.700 -0.320) 5.727 6.261 ( 8.973 1.101 -1.744) 9.207 6.393 ( 6.172 -6.786 0.428) 9.183 6.457 ( 0.357 1.114 -1.802) 2.148 6.503 ( 5.351 -3.822 -0.844) 6.630 6.609 ( -2.042 -7.529 -3.512) 8.555 6.698 ( -10.738 -6.846 1.163) 12.788 6.778 ( -13.233 -5.342 -2.197) 14.439 6.849 ( 0.968 -1.316 -1.042) 1.938 6.872 ( -2.929 4.200 3.513) 6.210 6.951 ( -0.092 -4.806 -5.840) 7.564 7.003 ( -3.793 -6.441 1.361) 7.598 7.073 ( -2.477 -3.863 0.658) 4.635 7.118 ( -5.186 0.950 0.975) 5.362 7.165 ( -1.863 -2.019 -0.072) 2.748 7.293 ( -5.541 -0.563 0.264) 5.576 7.404 ( 1.857 -2.419 1.629) 3.457 7.460 ( -4.281 -5.171 2.595) 7.197 7.655 ( -3.116 -3.088 -1.098) 4.523 7.693 ( -4.077 -0.157 -2.207) 4.639 7.787 ( 2.398 2.288 -1.120) 3.498 7.803 ( 2.708 -2.788 3.599) 5.297 7.921 ( -3.006 3.648 -0.811) 4.796 8.032 ( -1.434 1.802 1.154) 2.576 8.184 ( 9.747 1.555 -2.486) 10.178 8.312 ( -1.378 -0.071 1.795) 2.264 8.320 ( -0.089 3.843 -0.586) 3.889 8.372 ( -4.609 3.801 2.943) 6.660 8.540 ( -0.690 -5.820 0.811) 5.917 8.552 ( 0.481 -6.047 -1.708) 6.301 8.755 ( 1.820 0.666 -1.968) 2.763 8.798 ( -3.143 -3.426 -2.145) 5.121 8.830 ( -4.836 -3.725 0.742) 6.149 8.914 ( 0.046 -7.924 -0.455) 7.937 9.149 ( -0.714 5.719 -2.053) 6.118 9.256 ( 0.340 4.576 0.107) 4.589 9.264 ( -0.604 1.806 0.667) 2.018 9.355 ( -0.056 0.039 1.211) 1.213 9.398 ( 1.010 8.196 1.019) 8.320 9.591 ( 0.070 3.241 -0.043) 3.242 9.694 ( 4.216 -3.865 -3.529) 6.721 9.831 ( -3.920 2.181 4.497) 6.351 9.840 ( 2.913 -6.469 -0.837) 7.144 9.930 ( -3.382 1.012 0.756) 3.610 10.078 ( -0.481 -5.213 1.624) 5.482 10.120 ( 0.030 0.124 -1.589) 1.595 10.261 ( 1.474 4.083 2.957) 5.252 10.435 ( 2.277 2.651 -4.352) 5.582 10.490 ( 5.645 2.251 3.346) 6.938 10.581 ( -0.959 -3.288 -0.355) 3.444 10.598 ( -0.951 -0.531 -1.422) 1.791 10.699 ( -0.562 2.146 -2.040) 3.014 10.878 ( 2.251 -1.201 -0.938) 2.718 10.939 ( -1.649 -2.254 1.359) 3.106 11.032 ( -0.453 -3.051 -1.350) 3.367 11.170 ( -2.546 5.655 5.268) 8.137 11.203 ( 5.723 1.352 0.199) 5.883 11.480 ( 1.970 -0.352 2.214) 2.984 11.531 ( -3.347 1.671 -2.873) 4.717 11.584 ( -7.656 -2.362 -0.262) 8.016 11.665 ( -2.000 -0.082 1.790) 2.686 11.816 ( 3.675 -0.992 -1.774) 4.200 11.883 ( 0.526 -0.982 -0.976) 1.481 11.931 ( -2.349 1.518 -1.398) 3.127 12.300 ( -2.943 3.988 0.179) 4.960 12.620 ( -3.423 -3.459 -3.267) 5.861 12.718 ( 0.087 2.151 8.899) 9.155 12.755 ( -3.442 1.570 -2.428) 4.496 12.915 ( -3.761 4.238 -4.123) 7.007 13.170 ( 5.737 -3.725 2.172) 7.176 13.424 ( 0.204 -0.349 0.261) 0.482 13.491 ( -7.228 -0.712 -1.494) 7.416 13.605 ( 2.711 4.443 -0.156) 5.207 13.945 ( 2.470 -2.311 0.120) 3.385 14.067 ( 5.844 -0.592 -0.102) 5.875 14.179 ( -3.764 -3.056 0.789) 4.912 14.418 ( 7.496 -0.467 -0.182) 7.512 14.458 ( 3.512 0.170 0.823) 3.611 14.742 ( 8.181 -0.722 -1.955) 8.442 14.775 ( 5.860 -3.374 -3.039) 7.414 14.868 ( 5.221 2.245 5.904) 8.195 15.077 ( 0.386 2.503 -0.990) 2.719 15.253 ( 3.179 -2.223 -0.766) 3.954 15.317 ( -0.796 1.192 1.605) 2.152 15.365 ( -3.184 2.806 0.874) 4.333 15.390 ( 3.751 4.117 1.962) 5.905 15.414 ( 0.108 -5.947 -1.058) 6.041 15.743 ( -2.318 0.205 -1.113) 2.580 15.842 ( -0.827 -4.313 0.012) 4.392 15.993 ( 1.476 -4.762 0.233) 4.991 16.132 ( -3.789 2.800 -2.081) 5.150 16.340 ( 3.770 -4.760 -1.692) 6.303 16.447 ( -1.303 -0.687 2.580) 2.971 16.514 ( 2.308 2.192 2.406) 3.990 16.693 ( -1.623 8.599 -0.958) 8.803 16.973 ( 1.852 -0.290 -0.206) 1.886 17.346 ( -0.902 -0.225 -1.555) 1.812 17.376 ( -0.045 -0.635 1.268) 1.419 17.589 ( 0.223 2.655 -0.055) 2.664 17.776 ( 0.893 -1.843 -1.318) 2.436 18.773 ( -4.161 1.469 0.015) 4.412 18.898 ( -4.653 -1.138 -0.195) 4.794 18.931 ( -3.891 -0.585 -0.329) 3.948 19.022 ( -2.806 -2.437 0.503) 3.750 24.950 ( -0.079 4.376 0.116) 4.378 25.209 ( 0.144 1.849 -0.246) 1.871 25.544 ( 3.490 -11.276 -0.276) 11.807 25.976 ( 3.571 -23.961 0.177) 24.226 26.850 ( -0.525 4.116 0.222) 4.155 26.924 ( -0.044 2.965 0.016) 2.966 27.010 ( 0.449 -0.705 -0.878) 1.212 27.115 ( -0.843 1.903 1.489) 2.560 27.752 ( 0.277 13.456 -0.107) 13.459 27.898 ( 0.523 19.485 -0.545) 19.500 28.150 ( 0.091 -0.983 -0.152) 0.999 28.303 ( 1.334 1.459 -2.916) 3.523 28.345 ( -0.517 6.117 2.493) 6.626 28.598 ( 1.382 -2.744 1.156) 3.282 28.978 ( 5.449 3.130 -1.337) 6.425 29.142 ( -0.241 -2.004 3.035) 3.645 29.177 ( 1.765 1.570 -3.840) 4.509 29.373 ( 7.562 0.013 5.509) 9.356 29.525 ( 7.473 -0.446 2.410) 7.864 29.595 ( -6.146 -3.660 -3.658) 8.034 29.677 ( -9.337 0.223 -8.240) 12.455 29.844 ( -3.045 -3.982 3.331) 6.019 30.102 ( -5.223 -0.574 0.903) 5.332 30.252 ( -5.018 -4.655 -0.179) 6.847 30.337 ( 0.230 2.921 0.592) 2.989 30.615 ( -0.035 -3.825 -0.556) 3.865 30.726 ( 1.283 2.811 0.149) 3.093 31.034 ( 0.725 -5.237 1.410) 5.472 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 0.000 33.454 0.000) 33.454 1.538 ( 0.000 36.553 0.000) 36.553 2.077 ( 0.000 -25.008 0.000) 25.008 2.214 ( 0.000 -30.456 0.000) 30.456 2.377 ( 0.000 29.329 0.000) 29.329 2.630 ( 0.000 -5.695 0.000) 5.695 2.874 ( 0.000 12.126 0.000) 12.126 2.967 ( 0.000 6.735 0.000) 6.735 3.083 ( 0.000 -3.581 0.000) 3.581 3.177 ( 0.000 -11.870 0.000) 11.870 3.429 ( 0.000 4.368 0.000) 4.368 3.503 ( 0.000 -2.778 0.000) 2.778 3.582 ( 0.000 17.612 0.000) 17.612 3.760 ( 0.000 1.266 0.000) 1.266 3.806 ( 0.000 1.663 0.000) 1.663 3.871 ( 0.000 -1.993 0.000) 1.993 3.879 ( 0.000 4.126 0.000) 4.126 3.948 ( 0.000 2.440 0.000) 2.440 4.096 ( 0.000 8.256 0.000) 8.256 4.171 ( 0.000 -1.178 0.000) 1.178 4.172 ( 0.000 -4.300 0.000) 4.300 4.264 ( 0.000 -12.745 0.000) 12.745 4.298 ( 0.000 1.548 0.000) 1.548 4.404 ( 0.000 -8.424 0.000) 8.424 4.435 ( 0.000 7.202 0.000) 7.202 4.508 ( 0.000 0.417 0.000) 0.417 4.596 ( 0.000 1.365 0.000) 1.365 4.684 ( 0.000 -2.229 0.000) 2.229 4.799 ( 0.000 10.221 0.000) 10.221 4.877 ( 0.000 0.875 0.000) 0.875 4.882 ( 0.000 -4.627 0.000) 4.627 4.956 ( 0.000 0.684 0.000) 0.684 4.993 ( 0.000 -1.418 0.000) 1.418 5.042 ( 0.000 -4.345 0.000) 4.345 5.106 ( 0.000 6.450 0.000) 6.450 5.163 ( 0.000 -1.222 0.000) 1.222 5.243 ( 0.000 2.456 0.000) 2.456 5.329 ( 0.000 -3.807 0.000) 3.807 5.341 ( 0.000 -5.089 0.000) 5.089 5.432 ( 0.000 -8.664 0.000) 8.664 5.502 ( 0.000 2.756 0.000) 2.756 5.554 ( 0.000 1.047 0.000) 1.047 5.688 ( 0.000 1.244 0.000) 1.244 5.737 ( 0.000 -5.621 0.000) 5.621 5.983 ( 0.000 10.147 0.000) 10.147 6.083 ( 0.000 5.467 0.000) 5.467 6.142 ( 0.000 3.173 0.000) 3.173 6.181 ( 0.000 -6.306 0.000) 6.306 6.351 ( 0.000 5.038 0.000) 5.038 6.439 ( 0.000 7.602 0.000) 7.602 6.441 ( 0.000 1.683 0.000) 1.683 6.561 ( 0.000 -5.752 0.000) 5.752 6.674 ( 0.000 -6.703 0.000) 6.703 6.716 ( 0.000 -8.724 0.000) 8.724 6.749 ( 0.000 3.677 0.000) 3.677 6.772 ( 0.000 2.570 0.000) 2.570 6.877 ( 0.000 0.101 0.000) 0.101 6.929 ( 0.000 -4.459 0.000) 4.459 7.021 ( 0.000 0.324 0.000) 0.324 7.111 ( 0.000 -6.118 0.000) 6.118 7.202 ( 0.000 0.358 0.000) 0.358 7.329 ( 0.000 -10.785 0.000) 10.785 7.381 ( 0.000 3.747 0.000) 3.747 7.482 ( 0.000 -4.451 0.000) 4.451 7.600 ( 0.000 0.935 0.000) 0.935 7.631 ( 0.000 -1.548 0.000) 1.548 7.783 ( 0.000 2.401 0.000) 2.401 7.807 ( 0.000 0.423 0.000) 0.423 7.899 ( 0.000 -0.478 0.000) 0.478 7.914 ( 0.000 5.428 0.000) 5.428 7.947 ( 0.000 -5.220 0.000) 5.220 8.012 ( 0.000 -3.610 0.000) 3.610 8.232 ( 0.000 3.860 0.000) 3.860 8.261 ( 0.000 0.167 0.000) 0.167 8.288 ( 0.000 -0.070 0.000) 0.070 8.311 ( 0.000 -3.154 0.000) 3.154 8.368 ( 0.000 10.647 0.000) 10.647 8.649 ( 0.000 -14.751 0.000) 14.751 8.784 ( 0.000 2.087 0.000) 2.087 8.837 ( 0.000 -3.289 0.000) 3.289 8.912 ( 0.000 1.314 0.000) 1.314 8.923 ( 0.000 -0.568 0.000) 0.568 9.176 ( 0.000 0.612 0.000) 0.612 9.212 ( 0.000 -4.010 0.000) 4.010 9.295 ( 0.000 0.951 0.000) 0.951 9.298 ( 0.000 2.222 0.000) 2.222 9.369 ( 0.000 6.030 0.000) 6.030 9.480 ( 0.000 -1.217 0.000) 1.217 9.782 ( 0.000 4.072 0.000) 4.072 9.795 ( 0.000 2.906 0.000) 2.906 9.868 ( 0.000 -3.412 0.000) 3.412 9.927 ( 0.000 -7.248 0.000) 7.248 10.090 ( 0.000 5.409 0.000) 5.409 10.186 ( 0.000 -3.662 0.000) 3.662 10.251 ( 0.000 2.630 0.000) 2.630 10.292 ( 0.000 -1.473 0.000) 1.473 10.551 ( 0.000 0.301 0.000) 0.301 10.554 ( 0.000 -0.055 0.000) 0.055 10.653 ( 0.000 4.297 0.000) 4.297 10.742 ( 0.000 -4.002 0.000) 4.002 10.892 ( 0.000 2.196 0.000) 2.196 10.972 ( 0.000 -5.837 0.000) 5.837 11.115 ( 0.000 6.568 0.000) 6.568 11.189 ( 0.000 -0.533 0.000) 0.533 11.570 ( 0.000 4.542 0.000) 4.542 11.607 ( 0.000 0.002 0.000) 0.002 11.733 ( 0.000 2.881 0.000) 2.881 11.798 ( 0.000 -1.314 0.000) 1.314 11.816 ( 0.000 -1.102 0.000) 1.102 11.853 ( 0.000 -6.166 0.000) 6.166 12.067 ( 0.000 3.474 0.000) 3.474 12.113 ( 0.000 -1.243 0.000) 1.243 12.602 ( 0.000 3.487 0.000) 3.487 12.656 ( 0.000 -1.691 0.000) 1.691 12.803 ( 0.000 -0.044 0.000) 0.044 12.818 ( 0.000 -1.656 0.000) 1.656 13.086 ( 0.000 2.222 0.000) 2.222 13.157 ( 0.000 -4.725 0.000) 4.725 13.413 ( 0.000 6.131 0.000) 6.131 13.433 ( 0.000 2.599 0.000) 2.599 13.452 ( 0.000 0.559 0.000) 0.559 13.512 ( 0.000 -2.773 0.000) 2.773 13.858 ( 0.000 0.555 0.000) 0.555 13.913 ( 0.000 -2.718 0.000) 2.718 13.926 ( 0.000 2.357 0.000) 2.357 14.001 ( 0.000 -3.211 0.000) 3.211 14.275 ( 0.000 3.376 0.000) 3.376 14.343 ( 0.000 -3.750 0.000) 3.750 14.492 ( 0.000 13.221 0.000) 13.221 14.798 ( 0.000 -15.762 0.000) 15.762 15.081 ( 0.000 4.123 0.000) 4.123 15.101 ( 0.000 0.624 0.000) 0.624 15.178 ( 0.000 0.156 0.000) 0.156 15.216 ( 0.000 -2.160 0.000) 2.160 15.639 ( 0.000 2.044 0.000) 2.044 15.719 ( 0.000 -5.600 0.000) 5.600 15.730 ( 0.000 4.603 0.000) 4.603 15.848 ( 0.000 -6.832 0.000) 6.832 16.340 ( 0.000 6.706 0.000) 6.706 16.393 ( 0.000 1.776 0.000) 1.776 16.454 ( 0.000 -1.664 0.000) 1.664 16.487 ( 0.000 -5.105 0.000) 5.105 16.721 ( 0.000 1.959 0.000) 1.959 16.725 ( 0.000 1.547 0.000) 1.547 17.411 ( 0.000 0.182 0.000) 0.182 17.419 ( 0.000 -0.676 0.000) 0.676 17.516 ( 0.000 0.809 0.000) 0.809 17.531 ( 0.000 -0.736 0.000) 0.736 19.194 ( 0.000 1.642 0.000) 1.642 19.230 ( 0.000 -1.832 0.000) 1.832 19.341 ( 0.000 0.440 0.000) 0.440 19.348 ( 0.000 -0.307 0.000) 0.307 25.069 ( 0.000 2.329 0.000) 2.329 25.113 ( 0.000 -1.939 0.000) 1.939 25.173 ( 0.000 1.827 0.000) 1.827 25.209 ( 0.000 -1.630 0.000) 1.630 26.893 ( 0.000 -0.220 0.000) 0.220 26.906 ( 0.000 -1.693 0.000) 1.693 27.009 ( 0.000 4.376 0.000) 4.376 27.120 ( 0.000 -6.688 0.000) 6.688 27.944 ( 0.000 7.908 0.000) 7.908 28.047 ( 0.000 -2.900 0.000) 2.900 28.069 ( 0.000 6.702 0.000) 6.702 28.152 ( 0.000 -1.271 0.000) 1.271 28.317 ( 0.000 0.040 0.000) 0.040 28.333 ( 0.000 -1.461 0.000) 1.461 28.829 ( 0.000 2.626 0.000) 2.626 28.889 ( 0.000 -3.110 0.000) 3.110 29.109 ( 0.000 2.620 0.000) 2.620 29.148 ( 0.000 -0.847 0.000) 0.847 29.879 ( 0.000 1.289 0.000) 1.289 29.946 ( 0.000 -5.155 0.000) 5.155 30.202 ( 0.000 0.429 0.000) 0.429 30.218 ( 0.000 -1.453 0.000) 1.453 30.348 ( 0.000 0.395 0.000) 0.395 30.363 ( 0.000 -1.209 0.000) 1.209 30.493 ( 0.000 4.763 0.000) 4.763 30.595 ( 0.000 -4.926 0.000) 4.926 30.650 ( 0.000 2.076 0.000) 2.076 30.690 ( 0.000 -1.813 0.000) 1.813 ======================= Grid point 15 (10/54) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.641 ( 11.211 29.174 8.142) 32.298 1.710 ( 19.011 28.058 1.003) 33.907 2.127 ( 3.264 -18.713 3.842) 19.380 2.273 ( 8.609 -26.214 3.229) 27.780 2.678 ( 23.888 19.382 -4.021) 31.023 2.720 ( -2.352 3.416 -4.089) 5.824 2.864 ( 6.842 2.111 -4.593) 8.507 3.057 ( 6.785 -7.219 -8.117) 12.808 3.099 ( 6.856 7.176 0.857) 9.962 3.275 ( 6.156 -8.477 4.159) 11.272 3.372 ( -4.738 4.842 1.497) 6.938 3.442 ( -4.254 -1.563 -0.188) 4.536 3.553 ( -1.818 12.059 2.119) 12.378 3.685 ( -3.244 3.619 5.202) 7.119 3.827 ( -1.096 -0.075 7.427) 7.508 3.901 ( 0.066 1.594 -0.624) 1.713 3.975 ( 8.661 2.453 2.065) 9.235 4.010 ( 5.269 0.818 1.987) 5.690 4.063 ( 2.749 3.047 0.453) 4.128 4.150 ( 4.396 -1.038 8.782) 9.876 4.268 ( 3.828 1.279 -0.893) 4.134 4.339 ( 3.403 2.591 -5.934) 7.315 4.363 ( 2.336 -0.808 -5.542) 6.068 4.400 ( 0.556 4.096 -4.487) 6.101 4.425 ( -1.482 -3.092 -11.513) 12.013 4.517 ( 4.299 -10.086 -1.384) 11.051 4.648 ( 7.148 4.136 -1.824) 8.457 4.692 ( -5.133 -1.054 4.782) 7.093 4.737 ( 1.055 1.409 -1.012) 2.030 4.838 ( 1.094 -6.113 -3.168) 6.971 4.936 ( -6.684 3.866 -2.010) 7.979 4.984 ( 4.207 0.780 0.603) 4.321 5.039 ( -1.895 -3.119 0.715) 3.719 5.073 ( 3.177 3.058 5.386) 6.960 5.109 ( 4.005 -4.570 3.163) 6.851 5.203 ( 0.237 -6.714 4.026) 7.833 5.273 ( 4.565 8.820 3.340) 10.478 5.302 ( 1.543 1.249 -1.966) 2.794 5.362 ( -2.797 4.117 -5.525) 7.437 5.374 ( -7.098 0.823 0.186) 7.148 5.422 ( 1.589 -2.840 -0.104) 3.256 5.610 ( 7.591 -12.662 -0.110) 14.763 5.723 ( 4.143 2.664 2.516) 5.531 5.755 ( 2.365 -1.076 3.257) 4.166 5.900 ( -4.327 9.345 -8.720) 13.494 6.044 ( -6.426 1.168 -3.155) 7.254 6.121 ( -9.605 3.670 2.991) 10.708 6.151 ( -1.606 2.095 1.634) 3.105 6.262 ( -9.195 1.870 1.561) 9.512 6.365 ( -3.394 -2.224 -0.079) 4.058 6.445 ( 3.139 5.647 -2.476) 6.919 6.547 ( -3.800 0.351 0.275) 3.826 6.596 ( -3.883 -10.563 1.053) 11.303 6.672 ( -3.386 -6.486 -2.604) 7.766 6.704 ( -3.034 3.191 3.284) 5.492 6.815 ( -1.693 -4.078 1.119) 4.555 6.901 ( 1.588 2.454 1.621) 3.343 6.934 ( -7.219 1.047 0.172) 7.297 6.966 ( -3.060 -2.698 -7.363) 8.418 7.011 ( -3.093 -4.756 -1.442) 5.854 7.173 ( -1.757 3.562 2.142) 4.513 7.294 ( 0.786 -4.363 4.662) 6.433 7.426 ( -1.111 -2.865 2.786) 4.148 7.448 ( -1.196 -2.768 5.905) 6.630 7.564 ( -4.866 -0.719 -1.464) 5.132 7.592 ( -2.489 -3.384 -4.551) 6.194 7.711 ( -6.154 2.665 -3.370) 7.505 7.752 ( -6.082 -1.064 -5.608) 8.341 7.868 ( -3.207 2.742 3.826) 5.696 7.900 ( -3.844 -0.008 -1.136) 4.009 7.950 ( 1.649 0.610 2.749) 3.263 8.026 ( 1.768 -5.036 -0.021) 5.337 8.239 ( -1.099 7.440 3.418) 8.261 8.271 ( 1.843 1.188 4.258) 4.790 8.322 ( 1.338 4.663 -3.284) 5.858 8.359 ( 2.899 1.302 -3.309) 4.588 8.387 ( 5.206 -3.140 -3.123) 6.835 8.562 ( -5.984 -13.566 -6.118) 16.040 8.790 ( -1.185 1.331 -2.620) 3.168 8.824 ( -1.161 -2.337 -2.923) 3.918 8.942 ( 0.058 1.048 3.067) 3.242 8.988 ( 3.369 -2.404 5.945) 7.244 9.118 ( -2.159 1.289 2.163) 3.317 9.176 ( -0.781 -3.682 0.873) 3.864 9.304 ( 0.864 3.058 -0.071) 3.179 9.332 ( 1.539 4.095 2.230) 4.911 9.395 ( 3.230 1.607 -2.413) 4.340 9.480 ( 0.520 -2.817 -4.319) 5.183 9.772 ( -1.787 2.090 1.154) 2.982 9.802 ( -2.655 1.746 2.932) 4.324 9.889 ( 2.058 -1.958 -0.239) 2.850 9.931 ( 2.196 -3.335 4.651) 6.130 10.094 ( 0.652 4.493 -2.203) 5.046 10.184 ( -0.917 -3.717 -0.634) 3.881 10.263 ( 0.537 1.930 1.255) 2.364 10.288 ( 0.071 -0.397 0.865) 0.954 10.536 ( -1.542 0.097 2.171) 2.665 10.542 ( -1.050 -0.849 1.456) 1.985 10.661 ( 2.009 5.222 -2.079) 5.969 10.756 ( 1.049 -1.959 -6.285) 6.666 10.814 ( -8.456 1.985 -2.451) 9.026 10.896 ( -3.942 -5.144 4.541) 7.914 11.098 ( -1.063 5.172 -1.213) 5.417 11.148 ( -2.407 0.287 -4.758) 5.339 11.535 ( -4.335 6.117 4.685) 8.840 11.621 ( 1.524 -1.213 3.168) 3.718 11.634 ( -7.878 1.129 0.265) 7.963 11.679 ( -7.840 -1.330 3.423) 8.658 11.754 ( -3.657 -1.630 -1.916) 4.438 11.763 ( -5.782 -2.572 -1.253) 6.451 12.039 ( -3.478 2.940 -0.629) 4.597 12.093 ( -2.566 -1.946 -1.145) 3.418 12.566 ( -2.973 5.174 -5.817) 8.334 12.654 ( -1.211 -3.109 -5.752) 6.649 12.830 ( 2.294 2.797 4.136) 5.495 12.899 ( 1.039 -4.339 0.441) 4.483 13.118 ( 1.379 4.902 5.361) 7.394 13.194 ( -1.554 -1.558 0.945) 2.395 13.388 ( 0.010 0.447 -1.931) 1.982 13.451 ( -0.379 -4.604 -4.664) 6.564 13.516 ( 7.175 5.574 0.946) 9.135 13.598 ( 11.205 -2.247 2.208) 11.640 13.881 ( 4.797 0.687 3.192) 5.803 13.948 ( 3.952 -5.272 5.284) 8.446 14.075 ( 9.664 2.377 0.782) 9.983 14.136 ( 8.139 -3.144 2.538) 9.087 14.294 ( 5.113 2.728 -1.080) 5.895 14.362 ( 4.415 -3.804 -3.136) 6.618 14.588 ( 9.474 13.442 -2.120) 16.581 14.876 ( 7.663 -12.973 -6.505) 16.412 15.155 ( 3.498 2.773 0.605) 4.505 15.171 ( 6.426 0.890 6.659) 9.297 15.217 ( 4.683 -1.163 3.457) 5.935 15.220 ( 0.676 -1.257 -0.706) 1.593 15.622 ( -2.578 2.322 2.417) 4.229 15.680 ( 0.560 -2.948 -0.984) 3.158 15.784 ( 2.113 -0.180 -2.744) 3.468 15.860 ( 0.889 -6.172 -0.989) 6.314 16.284 ( -3.978 3.788 -0.978) 5.580 16.331 ( -5.286 -0.444 1.774) 5.594 16.450 ( 0.667 1.225 2.630) 2.977 16.501 ( -0.127 -2.535 0.770) 2.653 16.763 ( 4.397 3.532 -0.610) 5.673 16.810 ( 5.761 -1.116 -2.099) 6.232 17.369 ( -2.127 0.871 -1.019) 2.514 17.391 ( -1.952 -1.213 -0.134) 2.302 17.569 ( 3.888 1.582 -0.364) 4.214 17.603 ( 5.288 -2.026 -2.378) 6.142 19.120 ( -7.067 1.939 0.077) 7.329 19.162 ( -6.626 -2.061 0.212) 6.942 19.252 ( -8.037 0.333 0.144) 8.045 19.260 ( -8.319 -0.422 0.095) 8.330 25.063 ( -0.178 4.590 -0.115) 4.595 25.158 ( 4.126 -4.688 -0.219) 6.250 25.207 ( 2.559 2.521 0.108) 3.594 25.299 ( 8.023 -6.608 0.330) 10.399 26.895 ( 0.535 1.020 -0.105) 1.156 26.926 ( 1.628 -1.955 -0.468) 2.587 27.008 ( -0.101 4.310 0.280) 4.321 27.114 ( -0.668 -5.844 1.565) 6.087 27.962 ( 1.717 9.063 -0.609) 9.245 28.060 ( 1.854 0.172 -1.514) 2.399 28.119 ( 4.056 5.181 0.602) 6.607 28.202 ( 4.696 -1.559 -0.685) 4.995 28.323 ( 0.681 0.198 2.857) 2.943 28.355 ( 2.194 -3.025 -2.002) 4.239 28.860 ( 3.005 2.659 0.548) 4.050 28.925 ( 3.355 -3.568 0.433) 4.917 29.158 ( 4.845 1.827 0.578) 5.211 29.179 ( 3.309 -0.042 1.043) 3.470 29.783 ( -10.702 3.424 -0.251) 11.239 29.857 ( -8.088 -4.740 0.809) 9.409 30.041 ( -14.481 8.770 -5.230) 17.719 30.142 ( -8.237 -2.514 -3.140) 9.167 30.233 ( -0.568 3.044 -0.904) 3.226 30.335 ( -1.465 -5.781 -1.051) 6.056 30.567 ( -4.985 3.192 -3.951) 7.117 30.625 ( -2.659 -2.343 -6.030) 6.994 30.643 ( 4.307 1.604 5.734) 7.349 30.729 ( 6.862 -6.811 11.661) 15.148 ======================= Grid point 16 (11/54) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 19.031 17.670 5.477) 26.540 2.102 ( 17.872 11.801 2.944) 21.618 2.243 ( 9.613 -3.090 0.537) 10.112 2.460 ( 7.306 -14.866 -0.245) 16.566 2.646 ( -1.759 9.080 -2.923) 9.700 2.824 ( 2.158 -4.947 -4.608) 7.097 3.039 ( -5.795 -0.215 3.594) 6.823 3.097 ( -3.653 -3.091 -2.165) 5.252 3.234 ( -1.365 2.362 0.107) 2.730 3.300 ( -0.818 -5.326 -1.677) 5.643 3.482 ( 21.213 5.654 -2.642) 22.112 3.514 ( 0.571 7.156 -2.825) 7.715 3.580 ( 14.785 -3.004 1.687) 15.181 3.666 ( -0.519 -5.009 4.263) 6.597 3.860 ( 4.057 7.535 2.530) 8.924 3.899 ( 0.949 1.581 1.856) 2.616 4.044 ( -1.206 7.025 6.708) 9.788 4.136 ( 1.389 5.087 -1.228) 5.414 4.184 ( 7.497 1.752 3.345) 8.395 4.218 ( -1.612 -2.306 -0.527) 2.862 4.284 ( 1.474 0.808 -5.228) 5.492 4.343 ( -1.476 2.056 -6.600) 7.068 4.393 ( -0.783 7.271 -0.211) 7.317 4.482 ( 12.804 0.681 1.765) 12.943 4.522 ( 2.282 -1.878 3.191) 4.350 4.528 ( 2.296 0.125 -1.459) 2.723 4.639 ( -2.944 2.332 -0.015) 3.756 4.704 ( 3.818 -0.382 3.043) 4.897 4.827 ( -4.115 0.090 -1.708) 4.456 4.848 ( 7.438 -2.421 -7.750) 11.012 4.883 ( -1.985 -2.372 -4.034) 5.084 4.948 ( 7.563 -3.885 0.254) 8.507 5.081 ( -1.867 -1.071 4.573) 5.054 5.143 ( 4.267 6.392 2.239) 8.005 5.157 ( 3.554 -9.603 3.171) 10.720 5.211 ( 2.568 1.845 -1.659) 3.570 5.263 ( 4.803 -0.587 1.549) 5.080 5.302 ( 1.151 -2.950 0.202) 3.174 5.397 ( 3.547 5.259 -1.015) 6.424 5.496 ( 9.995 6.325 4.318) 12.592 5.517 ( 5.224 0.279 1.688) 5.497 5.686 ( -5.497 2.337 0.052) 5.973 5.782 ( -0.721 6.527 2.755) 7.121 5.842 ( 4.880 -5.682 0.359) 7.499 5.867 ( -2.779 5.258 -2.181) 6.334 5.924 ( -4.832 -0.419 0.061) 4.851 5.949 ( 0.637 -0.389 -0.449) 0.871 6.006 ( -2.569 -4.088 -5.252) 7.134 6.139 ( -8.522 -3.842 4.913) 10.560 6.231 ( -8.126 -5.224 -4.715) 10.749 6.402 ( -7.041 4.189 1.350) 8.303 6.449 ( -7.134 0.019 -1.148) 7.226 6.584 ( 1.332 -1.038 1.728) 2.416 6.589 ( -2.970 2.778 0.467) 4.094 6.718 ( -1.109 -5.861 -2.562) 6.492 6.731 ( -2.132 -3.841 -5.807) 7.282 6.811 ( -0.684 2.482 2.205) 3.389 6.836 ( -6.159 -2.926 -9.609) 11.782 6.920 ( -0.456 -1.650 6.730) 6.945 6.978 ( -1.018 -4.390 -0.122) 4.508 7.196 ( -1.885 0.677 -0.512) 2.067 7.212 ( -6.895 3.266 -2.253) 7.955 7.344 ( -8.350 0.029 1.083) 8.419 7.415 ( -7.192 -3.386 6.145) 10.048 7.454 ( -9.833 -0.149 -4.389) 10.769 7.502 ( -5.844 -4.597 -0.518) 7.453 7.628 ( -0.893 -3.729 2.096) 4.370 7.632 ( 0.093 -2.883 0.784) 2.990 7.789 ( -3.577 3.671 1.858) 5.452 7.833 ( -1.741 0.544 -0.623) 1.927 7.963 ( -0.407 1.853 2.889) 3.457 8.036 ( -0.403 -4.091 2.339) 4.730 8.205 ( -0.785 8.531 -5.315) 10.082 8.317 ( 1.092 -1.561 3.477) 3.965 8.355 ( 0.788 1.545 2.298) 2.879 8.425 ( 2.978 1.455 0.734) 3.395 8.467 ( -0.650 -5.480 -4.363) 7.035 8.472 ( 0.324 -3.959 -4.435) 5.953 8.752 ( -2.021 0.315 -3.895) 4.400 8.788 ( -2.029 -4.161 -3.886) 6.044 8.852 ( -6.286 0.366 0.113) 6.298 8.893 ( -8.412 -4.019 0.473) 9.335 9.210 ( 6.677 1.514 3.740) 7.802 9.243 ( 4.848 -1.661 2.412) 5.664 9.302 ( -0.479 7.075 -2.768) 7.612 9.380 ( 2.021 1.402 2.817) 3.740 9.474 ( 4.453 1.790 -0.264) 4.806 9.514 ( 3.227 -2.912 -5.288) 6.845 9.720 ( -2.246 -0.504 3.361) 4.074 9.747 ( -3.111 0.423 5.790) 6.586 9.883 ( -1.363 2.545 1.588) 3.295 9.962 ( -0.551 -2.780 2.067) 3.508 10.083 ( -2.589 2.132 -3.281) 4.692 10.143 ( -2.764 -2.700 -1.598) 4.181 10.283 ( 2.027 3.371 1.416) 4.181 10.351 ( 6.089 -2.100 1.535) 6.621 10.477 ( -1.547 2.733 -0.281) 3.153 10.534 ( -0.939 -3.370 -0.051) 3.499 10.685 ( -2.417 6.128 1.845) 6.841 10.726 ( 1.668 1.777 -0.696) 2.535 10.791 ( 3.448 -0.453 -6.100) 7.022 10.862 ( -0.179 -6.912 0.260) 6.919 11.079 ( -0.972 3.611 -3.505) 5.125 11.131 ( 0.981 -1.041 -1.750) 2.260 11.386 ( -8.637 5.688 8.522) 13.401 11.486 ( -6.536 -2.521 4.739) 8.458 11.577 ( -2.715 0.824 0.553) 2.891 11.645 ( -1.273 -4.323 1.811) 4.857 11.704 ( -0.376 1.290 -0.757) 1.542 11.739 ( 1.625 -1.459 -2.669) 3.449 11.945 ( -5.205 3.408 -1.071) 6.313 12.010 ( -5.070 -2.144 -2.369) 5.993 12.487 ( -4.476 5.813 -5.821) 9.365 12.598 ( -3.632 -5.085 -6.672) 9.141 12.819 ( -3.364 2.970 8.248) 9.390 12.867 ( -4.117 -1.504 5.173) 6.781 13.062 ( -3.817 3.778 -2.394) 5.880 13.112 ( -4.206 -0.256 -2.620) 4.962 13.414 ( 1.455 1.168 -1.015) 2.125 13.483 ( 1.581 -4.381 -2.010) 5.073 13.681 ( 5.235 5.834 0.119) 7.839 13.779 ( 7.615 -2.358 -0.423) 7.983 13.981 ( 4.395 0.751 4.882) 6.612 14.052 ( 4.997 -6.572 7.426) 11.104 14.241 ( 9.001 1.449 -1.497) 9.239 14.286 ( 9.368 -2.583 -1.198) 9.791 14.499 ( 12.308 0.141 1.923) 12.458 14.532 ( 10.265 -3.537 -1.269) 10.931 14.821 ( 13.061 12.143 -3.186) 18.116 15.034 ( 6.716 -7.038 -5.535) 11.193 15.193 ( 1.067 1.636 -1.043) 2.214 15.244 ( 2.904 -3.274 2.338) 4.961 15.296 ( 4.658 1.743 3.382) 6.015 15.324 ( 4.915 -0.169 5.181) 7.144 15.566 ( -2.774 5.634 2.240) 6.667 15.705 ( -0.169 -8.207 -1.519) 8.349 15.811 ( 1.547 1.951 -1.635) 2.979 15.875 ( 0.740 -4.819 -1.669) 5.153 16.224 ( -2.283 -0.136 -2.036) 3.062 16.235 ( -3.396 -0.816 -1.649) 3.862 16.464 ( 0.619 2.001 4.446) 4.915 16.502 ( 0.509 -0.896 2.539) 2.740 16.836 ( 2.361 4.961 -0.274) 5.501 16.903 ( 3.559 -1.826 -1.134) 4.157 17.348 ( -0.175 0.242 -0.892) 0.940 17.363 ( -0.775 -1.085 0.221) 1.352 17.633 ( 2.273 2.866 -0.934) 3.775 17.689 ( 3.200 -2.800 -2.341) 4.853 18.953 ( -9.050 2.337 -0.055) 9.347 19.001 ( -8.879 -2.350 -0.318) 9.190 19.071 ( -9.589 0.084 0.126) 9.590 19.083 ( -8.099 -1.206 0.628) 8.213 25.070 ( 0.680 7.374 -0.000) 7.406 25.239 ( 3.730 -8.489 0.004) 9.272 25.264 ( 2.909 4.978 -0.222) 5.770 25.456 ( 7.058 -13.877 0.227) 15.570 26.915 ( 1.497 2.750 -0.398) 3.156 26.961 ( 1.906 -1.714 -0.876) 2.709 27.001 ( -0.710 4.142 0.627) 4.249 27.097 ( -1.091 -4.684 2.001) 5.209 28.002 ( 2.131 10.728 -0.496) 10.949 28.105 ( 2.323 0.030 -2.335) 3.293 28.201 ( 3.815 9.764 1.490) 10.588 28.299 ( 4.100 1.690 -4.227) 6.127 28.362 ( 3.760 -0.957 4.705) 6.099 28.411 ( 3.390 -7.055 -0.457) 7.840 28.943 ( 5.408 1.911 0.776) 5.788 29.002 ( 4.023 -3.948 1.871) 5.939 29.268 ( 5.747 3.339 4.067) 7.792 29.295 ( 7.480 0.180 -1.246) 7.585 29.520 ( -11.930 9.863 -3.508) 15.872 29.663 ( -10.752 -5.519 -1.839) 12.225 29.836 ( -7.768 2.897 -4.053) 9.228 29.930 ( -11.742 -4.508 -2.664) 12.856 30.207 ( -3.837 1.103 3.331) 5.200 30.272 ( -5.602 -5.458 1.471) 7.958 30.453 ( -4.315 5.106 -1.747) 6.909 30.552 ( -2.949 -4.541 -1.730) 5.685 30.737 ( 4.377 4.161 1.878) 6.324 30.851 ( 4.635 -7.174 3.643) 9.286 ======================= Grid point 17 (12/54) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.262 ( 9.355 8.903 1.557) 13.008 2.380 ( 8.850 4.783 1.144) 10.124 2.397 ( 3.710 -0.094 0.494) 3.743 2.561 ( 2.776 -6.108 -2.504) 7.161 2.666 ( 5.302 18.832 0.485) 19.570 2.864 ( -1.079 3.151 0.552) 3.376 2.962 ( 3.569 -8.639 1.481) 9.464 3.054 ( -2.531 -2.309 -2.112) 4.025 3.111 ( -10.817 -8.732 0.470) 13.910 3.169 ( -2.792 -2.546 0.120) 3.781 3.508 ( -6.959 6.091 -2.228) 9.512 3.649 ( 2.168 -7.274 -0.430) 7.602 3.794 ( 11.946 4.258 -4.245) 13.374 3.857 ( 7.262 -0.207 -1.001) 7.334 3.900 ( 1.224 2.318 1.006) 2.807 3.945 ( 1.531 1.096 2.659) 3.258 4.015 ( 0.202 3.884 3.591) 5.294 4.081 ( -6.369 1.427 4.905) 8.164 4.107 ( 0.160 2.404 -0.723) 2.516 4.203 ( -7.240 -3.074 -3.580) 8.642 4.340 ( -3.208 2.701 -8.829) 9.775 4.386 ( -4.624 -3.802 6.755) 9.026 4.430 ( 4.748 5.079 -5.328) 8.759 4.466 ( 8.629 3.447 -1.355) 9.391 4.535 ( 0.678 -4.701 1.938) 5.130 4.560 ( 0.539 -5.853 0.002) 5.878 4.742 ( -1.177 5.913 -4.158) 7.324 4.797 ( -3.700 3.787 3.443) 6.316 4.874 ( 8.562 7.587 6.455) 13.135 4.930 ( 11.778 0.350 2.234) 11.993 5.010 ( 6.747 4.485 -2.083) 8.365 5.024 ( 2.552 4.837 2.014) 5.829 5.089 ( 1.166 0.476 2.260) 2.587 5.194 ( 1.486 6.352 1.195) 6.632 5.238 ( 3.435 4.005 -0.181) 5.280 5.279 ( 2.575 -0.240 -0.267) 2.600 5.338 ( 1.938 -6.556 3.761) 7.803 5.447 ( 6.705 -1.013 -1.525) 6.950 5.478 ( -4.452 -1.153 -6.399) 7.880 5.523 ( -2.185 4.672 1.640) 5.412 5.528 ( 2.285 1.925 -0.585) 3.044 5.664 ( 2.445 5.932 -0.516) 6.437 5.694 ( -4.355 -10.329 5.235) 12.372 5.788 ( -4.971 5.000 -4.278) 8.247 5.848 ( -3.990 5.522 -0.403) 6.825 5.875 ( 0.943 5.989 4.774) 7.717 5.940 ( -1.305 -10.412 1.821) 10.650 6.036 ( -0.495 -3.561 -3.324) 4.897 6.118 ( 6.541 -7.069 1.486) 9.745 6.206 ( 8.662 -9.921 -2.795) 13.463 6.338 ( 0.280 4.466 4.099) 6.069 6.385 ( -0.533 -2.698 2.442) 3.678 6.464 ( -6.057 2.155 -3.252) 7.204 6.570 ( -1.385 -0.233 -0.606) 1.530 6.617 ( -6.141 -2.715 -8.014) 10.456 6.712 ( -4.803 -3.238 -2.471) 6.298 6.796 ( 2.781 0.051 1.210) 3.033 6.886 ( -4.470 -0.641 -0.471) 4.540 6.897 ( 2.445 -2.019 -0.239) 3.180 6.955 ( -2.716 -3.212 1.225) 4.381 7.009 ( -3.570 3.580 -4.030) 6.466 7.100 ( -5.156 -4.039 -3.663) 7.504 7.201 ( -3.360 4.750 2.369) 6.282 7.243 ( -8.411 -1.769 2.317) 8.902 7.273 ( -7.649 -4.764 0.569) 9.029 7.391 ( -1.898 -6.600 2.058) 7.169 7.614 ( -0.468 0.793 0.641) 1.122 7.665 ( -0.543 -3.181 -1.059) 3.396 7.776 ( 1.092 3.287 2.674) 4.376 7.861 ( 3.767 -1.375 -0.033) 4.010 7.948 ( -1.547 3.303 2.496) 4.420 8.037 ( 0.330 -2.458 1.128) 2.725 8.233 ( 4.007 3.660 -4.020) 6.754 8.298 ( -1.911 -1.639 -0.175) 2.524 8.350 ( -3.862 0.908 2.188) 4.530 8.396 ( 0.490 -2.887 1.783) 3.428 8.468 ( -0.706 -1.140 -1.859) 2.293 8.487 ( -0.539 -1.406 -0.355) 1.547 8.707 ( -2.292 -1.262 -2.864) 3.880 8.749 ( -1.173 -3.558 -1.715) 4.121 8.776 ( -0.804 0.695 0.513) 1.180 8.809 ( -0.783 -2.744 -0.370) 2.877 9.294 ( 1.596 2.050 -0.122) 2.601 9.296 ( 0.202 6.650 -0.263) 6.658 9.314 ( 2.615 0.555 -0.060) 2.674 9.369 ( -2.569 0.429 1.882) 3.214 9.550 ( 2.226 4.593 -1.797) 5.411 9.591 ( 4.331 -2.594 -4.810) 6.973 9.675 ( -3.518 1.232 5.796) 6.891 9.706 ( 0.031 -3.573 2.831) 4.558 9.876 ( -0.227 2.275 2.696) 3.535 9.943 ( -0.295 -3.465 -0.088) 3.478 10.021 ( -2.507 2.483 -1.920) 4.017 10.097 ( -1.424 -3.395 -0.989) 3.812 10.324 ( 1.809 3.953 1.022) 4.466 10.424 ( 0.206 -4.894 0.317) 4.908 10.528 ( 5.005 2.531 -1.387) 5.778 10.551 ( 2.141 0.797 0.764) 2.409 10.661 ( -0.643 4.529 1.202) 4.730 10.721 ( -1.117 -0.681 -0.794) 1.531 10.842 ( 0.416 -1.945 -3.153) 3.728 10.862 ( 0.027 -3.728 -0.218) 3.734 11.042 ( -2.229 4.998 -1.399) 5.648 11.170 ( 1.956 -5.397 -0.262) 5.747 11.305 ( -0.126 6.257 4.928) 7.965 11.409 ( -0.940 -4.808 3.638) 6.102 11.573 ( 1.881 1.978 -2.582) 3.758 11.584 ( -3.071 0.925 -0.678) 3.278 11.662 ( -4.736 0.816 2.015) 5.212 11.732 ( -2.394 -5.441 0.111) 5.945 11.907 ( 1.632 2.635 -1.323) 3.370 11.947 ( -1.145 -0.692 -1.959) 2.373 12.411 ( -2.453 6.381 -1.958) 7.111 12.531 ( -2.378 -5.407 -2.884) 6.574 12.759 ( -1.893 1.870 5.203) 5.844 12.779 ( -3.324 0.252 1.153) 3.527 13.005 ( -1.777 4.149 -2.460) 5.140 13.085 ( 0.400 -4.275 -0.813) 4.370 13.430 ( 0.672 1.106 0.459) 1.373 13.463 ( -2.254 -1.875 -0.047) 2.933 13.743 ( 1.856 8.883 -0.553) 9.092 13.896 ( 3.599 -4.551 -1.070) 5.901 14.046 ( 2.010 -0.126 0.663) 2.120 14.095 ( -0.076 -4.395 3.254) 5.470 14.421 ( 6.901 0.837 -0.439) 6.965 14.445 ( 4.704 -1.230 -0.150) 4.865 14.672 ( 4.239 -2.095 -1.148) 4.866 14.693 ( 5.243 -3.823 2.233) 6.862 15.022 ( 6.227 7.430 -1.955) 9.889 15.095 ( 0.381 -0.781 -1.535) 1.764 15.214 ( 1.207 1.237 0.105) 1.731 15.293 ( 0.702 -3.792 1.480) 4.130 15.385 ( 3.802 1.309 1.008) 4.146 15.397 ( 2.541 0.372 1.523) 2.985 15.519 ( -1.611 7.058 1.141) 7.328 15.656 ( -3.313 -6.685 -1.559) 7.621 15.839 ( 0.702 1.849 0.031) 1.978 15.892 ( 0.948 -4.077 -0.717) 4.247 16.165 ( -1.959 1.623 -1.146) 2.790 16.232 ( 0.767 -5.128 -1.798) 5.487 16.477 ( 0.422 2.633 2.211) 3.464 16.521 ( 0.905 -1.298 1.545) 2.212 16.855 ( 0.137 6.816 -0.198) 6.820 16.948 ( 1.142 -2.643 -0.264) 2.891 17.346 ( -0.081 0.346 -0.459) 0.580 17.360 ( 0.116 -0.882 0.587) 1.066 17.655 ( 0.301 3.654 -0.498) 3.700 17.725 ( 0.746 -3.204 -0.885) 3.406 18.813 ( -4.226 2.381 -0.149) 4.853 18.862 ( -4.217 -2.371 -0.316) 4.848 18.933 ( -3.889 0.952 0.046) 4.004 18.969 ( -3.164 -2.541 0.434) 4.082 25.081 ( 0.364 8.860 0.021) 8.868 25.294 ( 1.729 -8.456 0.496) 8.645 25.304 ( 0.931 4.252 -0.612) 4.395 25.552 ( 2.562 -17.242 0.073) 17.431 26.947 ( 1.616 4.304 -0.609) 4.637 26.981 ( -1.194 2.737 0.517) 3.030 26.993 ( 1.053 -0.391 -0.492) 1.226 27.077 ( -0.797 -4.418 1.123) 4.628 28.034 ( 0.929 11.459 -0.134) 11.497 28.136 ( 0.835 -0.828 -1.024) 1.559 28.249 ( 0.997 12.611 0.261) 12.653 28.361 ( 2.385 5.655 -0.629) 6.170 28.421 ( 1.298 -0.655 -1.047) 1.791 28.485 ( 3.003 -8.317 2.203) 9.113 29.039 ( 2.622 2.373 1.239) 3.747 29.089 ( 5.128 -2.868 2.346) 6.327 29.258 ( -4.475 6.479 -3.479) 8.609 29.362 ( -2.394 -2.361 0.364) 3.382 29.515 ( 5.973 -0.356 2.388) 6.442 29.528 ( 1.720 -2.122 0.037) 2.732 29.685 ( -7.234 1.237 -6.051) 9.512 29.749 ( -5.885 -4.846 -0.337) 7.631 30.098 ( -5.026 0.694 1.750) 5.368 30.149 ( -4.887 -4.554 1.475) 6.840 30.419 ( -0.196 5.022 -0.501) 5.050 30.523 ( -0.392 -5.204 -0.642) 5.258 30.799 ( 1.664 4.714 0.471) 5.022 30.912 ( 1.538 -6.406 0.909) 6.650 ======================= Grid point 35 (13/54) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.753 ( 8.573 0.000 38.439) 39.383 0.772 ( -1.512 0.000 39.504) 39.532 1.206 ( 6.965 0.000 59.776) 60.181 2.463 ( -14.488 0.000 -14.308) 20.362 2.784 ( -1.753 0.000 -22.622) 22.690 2.786 ( 11.914 0.000 -2.177) 12.111 2.809 ( -6.953 0.000 -2.367) 7.345 2.894 ( 1.708 0.000 -2.797) 3.277 2.910 ( -0.622 0.000 6.672) 6.701 3.196 ( 2.258 0.000 -0.481) 2.308 3.371 ( -1.218 0.000 -1.983) 2.327 3.463 ( 4.614 0.000 0.010) 4.614 3.466 ( -6.502 0.000 -8.476) 10.683 3.589 ( -1.082 0.000 3.117) 3.299 3.641 ( -1.590 0.000 5.234) 5.470 3.741 ( 12.465 0.000 2.661) 12.746 3.801 ( 3.280 0.000 -1.043) 3.442 3.964 ( -3.500 0.000 3.485) 4.939 4.043 ( 5.098 0.000 -4.732) 6.956 4.081 ( -6.657 0.000 -5.557) 8.671 4.144 ( -1.151 0.000 -0.435) 1.230 4.219 ( -8.953 0.000 -2.340) 9.254 4.284 ( 1.504 0.000 16.238) 16.308 4.356 ( -0.137 0.000 -0.537) 0.555 4.479 ( 1.920 0.000 5.537) 5.860 4.545 ( -5.687 0.000 6.997) 9.017 4.643 ( 7.803 0.000 3.991) 8.765 4.662 ( -8.015 0.000 -6.103) 10.074 4.728 ( -3.144 0.000 11.257) 11.688 4.805 ( 5.297 0.000 -6.436) 8.335 4.886 ( -4.814 0.000 3.973) 6.242 5.012 ( -5.601 0.000 -11.747) 13.014 5.072 ( 2.409 0.000 0.848) 2.554 5.113 ( -1.185 0.000 -0.429) 1.260 5.142 ( -1.479 0.000 -0.638) 1.611 5.203 ( -3.023 0.000 1.998) 3.624 5.210 ( -1.886 0.000 -3.833) 4.272 5.306 ( 1.445 0.000 1.851) 2.348 5.431 ( 0.845 0.000 1.373) 1.613 5.538 ( 5.624 0.000 -0.374) 5.636 5.554 ( 8.177 0.000 0.342) 8.185 5.585 ( 4.254 0.000 -4.829) 6.436 5.715 ( -10.622 0.000 -0.302) 10.626 5.744 ( -7.786 0.000 -8.671) 11.653 5.806 ( 1.077 0.000 -5.414) 5.520 5.900 ( 5.074 0.000 -0.614) 5.111 5.964 ( -2.566 0.000 0.331) 2.587 6.038 ( 7.787 0.000 2.695) 8.240 6.154 ( 0.262 0.000 -2.410) 2.424 6.215 ( 0.836 0.000 -3.362) 3.464 6.307 ( -4.801 0.000 6.576) 8.142 6.366 ( 1.123 0.000 -8.705) 8.777 6.730 ( 11.418 0.000 0.106) 11.419 6.790 ( -5.430 0.000 3.024) 6.216 6.809 ( 7.272 0.000 0.197) 7.275 6.924 ( 0.054 0.000 4.610) 4.610 6.953 ( -2.745 0.000 -5.801) 6.418 7.095 ( -3.370 0.000 -3.403) 4.789 7.265 ( -4.089 0.000 1.813) 4.473 7.305 ( 6.729 0.000 -6.035) 9.039 7.373 ( -6.829 0.000 -13.491) 15.121 7.385 ( 2.205 0.000 1.920) 2.924 7.460 ( 1.457 0.000 11.900) 11.989 7.490 ( -6.756 0.000 -3.127) 7.445 7.565 ( -6.989 0.000 -2.313) 7.362 7.594 ( 4.326 0.000 7.959) 9.059 7.640 ( -2.598 0.000 2.283) 3.459 7.693 ( -0.530 0.000 -7.119) 7.139 7.773 ( 2.479 0.000 7.957) 8.334 7.945 ( -3.312 0.000 5.207) 6.171 7.991 ( 4.302 0.000 -1.161) 4.456 8.146 ( -3.503 0.000 -1.639) 3.867 8.184 ( 1.578 0.000 3.282) 3.641 8.240 ( -1.892 0.000 -2.473) 3.114 8.284 ( 3.766 0.000 4.588) 5.936 8.537 ( -2.108 0.000 4.247) 4.742 8.768 ( -1.025 0.000 -1.164) 1.551 8.793 ( -4.936 0.000 0.059) 4.937 8.795 ( -1.363 0.000 -3.498) 3.754 8.811 ( 3.440 0.000 -2.615) 4.321 8.921 ( -7.401 0.000 1.214) 7.500 8.947 ( -0.602 0.000 2.163) 2.245 9.231 ( 4.092 0.000 -0.062) 4.092 9.265 ( 9.707 0.000 -4.135) 10.551 9.332 ( -0.632 0.000 3.661) 3.716 9.406 ( 0.672 0.000 3.027) 3.101 9.454 ( 1.523 0.000 1.244) 1.966 9.537 ( -5.623 0.000 0.871) 5.690 9.675 ( -1.507 0.000 -1.361) 2.031 9.913 ( 1.317 0.000 -0.421) 1.383 9.963 ( 4.273 0.000 -2.121) 4.770 10.032 ( 1.973 0.000 -2.454) 3.149 10.045 ( -7.115 0.000 -1.543) 7.280 10.064 ( 3.688 0.000 -0.471) 3.718 10.165 ( -0.024 0.000 3.902) 3.902 10.305 ( 3.657 0.000 -2.065) 4.199 10.309 ( 2.679 0.000 4.040) 4.847 10.483 ( 6.520 0.000 -2.896) 7.134 10.547 ( 1.144 0.000 -5.296) 5.418 10.610 ( 0.347 0.000 -2.668) 2.691 10.863 ( -3.018 0.000 -0.145) 3.022 10.967 ( 3.720 0.000 7.070) 7.989 10.989 ( -10.690 0.000 2.994) 11.102 11.173 ( -2.061 0.000 9.580) 9.799 11.568 ( 2.260 0.000 -2.508) 3.376 11.616 ( -2.439 0.000 -6.928) 7.345 11.737 ( 0.170 0.000 1.173) 1.185 11.869 ( 0.933 0.000 -1.093) 1.437 11.871 ( 2.395 0.000 3.296) 4.074 11.908 ( -7.468 0.000 -0.077) 7.468 12.108 ( -1.312 0.000 0.247) 1.335 12.439 ( 5.742 0.000 -6.108) 8.383 12.506 ( -37.730 0.000 -3.818) 37.923 12.520 ( -2.721 0.000 -3.251) 4.239 12.914 ( 2.907 0.000 3.125) 4.269 12.961 ( 7.317 0.000 -0.178) 7.319 13.062 ( 1.594 0.000 -2.606) 3.055 13.169 ( 63.240 0.000 -0.636) 63.243 13.211 ( 5.440 0.000 3.670) 6.562 13.310 ( -14.050 0.000 -2.449) 14.262 13.353 ( -3.804 0.000 -1.242) 4.002 13.482 ( 0.075 0.000 -3.275) 3.276 13.854 ( 3.381 0.000 1.700) 3.785 13.942 ( -1.387 0.000 0.583) 1.505 13.990 ( 0.829 0.000 0.909) 1.230 14.115 ( -7.531 0.000 -2.650) 7.984 14.161 ( -1.476 0.000 4.129) 4.385 14.224 ( 11.007 0.000 4.947) 12.067 14.349 ( 1.724 0.000 0.226) 1.738 14.572 ( -1.656 0.000 -5.368) 5.617 15.146 ( -1.312 0.000 1.119) 1.724 15.184 ( 1.917 0.000 0.642) 2.021 15.240 ( 3.865 0.000 3.822) 5.436 15.328 ( 15.988 0.000 0.746) 16.006 15.505 ( -1.799 0.000 1.908) 2.622 15.648 ( 0.869 0.000 -0.824) 1.197 15.951 ( 0.164 0.000 -3.577) 3.580 16.021 ( -7.327 0.000 -6.013) 9.478 16.187 ( -0.116 0.000 1.718) 1.722 16.253 ( 0.685 0.000 -2.155) 2.261 16.462 ( 1.285 0.000 7.225) 7.339 16.622 ( 2.557 0.000 1.478) 2.954 16.640 ( -1.946 0.000 0.707) 2.070 16.778 ( -9.538 0.000 -2.278) 9.806 17.410 ( 3.394 0.000 0.569) 3.441 17.411 ( -2.174 0.000 0.292) 2.194 17.486 ( -0.662 0.000 0.595) 0.890 17.585 ( -16.148 0.000 -1.479) 16.216 19.165 ( -0.028 0.000 1.591) 1.591 19.308 ( 0.151 0.000 -1.781) 1.788 19.357 ( 0.311 0.000 -0.032) 0.313 19.367 ( -0.450 0.000 -0.275) 0.527 25.022 ( 0.167 0.000 1.064) 1.077 25.117 ( -1.051 0.000 -1.193) 1.590 25.147 ( -0.486 0.000 0.969) 1.084 25.231 ( 0.784 0.000 -1.020) 1.286 26.915 ( -0.350 0.000 -0.760) 0.837 26.948 ( 3.946 0.000 -1.777) 4.327 26.972 ( 0.535 0.000 1.283) 1.390 27.018 ( -0.870 0.000 0.069) 0.872 27.578 ( -0.550 0.000 0.851) 1.013 27.653 ( 0.447 0.000 -1.003) 1.098 28.095 ( 0.180 0.000 0.315) 0.363 28.155 ( -3.023 0.000 -2.091) 3.676 28.483 ( -3.370 0.000 9.035) 9.643 28.613 ( 3.586 0.000 2.334) 4.279 28.636 ( -0.406 0.000 -0.041) 0.408 28.797 ( 1.532 0.000 1.360) 2.048 28.951 ( -0.632 0.000 -1.977) 2.076 29.103 ( 1.754 0.000 -5.058) 5.354 29.761 ( -3.142 0.000 -3.567) 4.754 29.992 ( -1.644 0.000 -8.118) 8.282 30.037 ( -12.574 0.000 8.684) 15.281 30.200 ( 1.894 0.000 0.328) 1.922 30.286 ( -6.090 0.000 -0.883) 6.154 30.294 ( 3.209 0.000 -5.239) 6.144 30.357 ( 4.986 0.000 1.255) 5.141 30.660 ( -2.858 0.000 -2.133) 3.566 30.859 ( -1.132 0.000 14.126) 14.172 31.585 ( 15.479 0.000 -6.468) 16.776 ======================= Grid point 36 (14/54) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 26.340 0.000 26.946) 37.681 1.074 ( 21.199 0.000 28.121) 35.217 1.975 ( 54.553 0.000 37.524) 66.213 2.287 ( -1.984 0.000 -12.738) 12.891 2.727 ( -2.493 0.000 -6.144) 6.630 2.786 ( 2.406 0.000 -17.488) 17.653 2.895 ( -2.358 0.000 2.603) 3.512 3.030 ( 2.769 0.000 0.629) 2.839 3.074 ( 7.497 0.000 1.664) 7.679 3.182 ( -3.452 0.000 -6.417) 7.287 3.296 ( 6.996 0.000 -0.352) 7.004 3.458 ( -0.980 0.000 -3.817) 3.941 3.513 ( 1.549 0.000 1.012) 1.850 3.652 ( 7.390 0.000 -2.287) 7.735 3.675 ( -1.032 0.000 -1.409) 1.747 3.840 ( 14.995 0.000 6.260) 16.249 3.845 ( -5.418 0.000 -1.942) 5.756 4.014 ( 1.801 0.000 -12.103) 12.236 4.091 ( 5.462 0.000 -4.287) 6.943 4.097 ( 10.649 0.000 5.851) 12.151 4.187 ( 6.313 0.000 -1.082) 6.405 4.223 ( 5.275 0.000 -3.408) 6.280 4.325 ( 0.663 0.000 4.613) 4.661 4.378 ( -0.737 0.000 16.005) 16.022 4.427 ( -10.434 0.000 -2.739) 10.787 4.488 ( 2.336 0.000 2.860) 3.693 4.518 ( -2.362 0.000 5.764) 6.229 4.656 ( -14.673 0.000 3.784) 15.153 4.714 ( -3.099 0.000 -8.054) 8.629 4.807 ( -1.047 0.000 5.283) 5.386 4.867 ( 10.524 0.000 2.253) 10.762 5.050 ( -2.727 0.000 -0.701) 2.816 5.054 ( 5.624 0.000 -3.778) 6.775 5.099 ( -2.491 0.000 -0.299) 2.509 5.156 ( 1.320 0.000 -3.842) 4.062 5.178 ( -0.519 0.000 3.294) 3.334 5.201 ( 8.908 0.000 -9.743) 13.201 5.367 ( 4.530 0.000 6.164) 7.649 5.416 ( -1.196 0.000 1.930) 2.271 5.521 ( -10.257 0.000 -0.236) 10.259 5.523 ( -3.736 0.000 -0.609) 3.785 5.672 ( 5.952 0.000 5.513) 8.113 5.676 ( 0.249 0.000 -5.910) 5.915 5.705 ( 5.028 0.000 6.672) 8.354 5.789 ( -3.820 0.000 -3.211) 4.990 5.845 ( -1.995 0.000 -7.016) 7.294 6.060 ( -5.033 0.000 -1.289) 5.196 6.080 ( 9.354 0.000 -6.953) 11.655 6.161 ( -4.440 0.000 -0.040) 4.440 6.193 ( 3.326 0.000 -1.106) 3.504 6.284 ( 3.111 0.000 4.937) 5.835 6.436 ( 5.985 0.000 -4.101) 7.255 6.650 ( -8.740 0.000 -1.867) 8.937 6.813 ( -18.905 0.000 -3.009) 19.143 6.891 ( -1.462 0.000 -1.370) 2.003 6.898 ( 0.144 0.000 -8.036) 8.038 6.974 ( -2.861 0.000 -5.262) 5.989 7.028 ( 3.679 0.000 4.365) 5.709 7.088 ( -7.903 0.000 1.264) 8.003 7.171 ( 1.211 0.000 7.702) 7.796 7.337 ( -3.608 0.000 -9.440) 10.106 7.377 ( -1.151 0.000 5.788) 5.901 7.404 ( -4.962 0.000 1.690) 5.242 7.495 ( -4.055 0.000 1.375) 4.282 7.571 ( 2.107 0.000 12.975) 13.145 7.633 ( 1.237 0.000 -13.119) 13.178 7.701 ( 8.991 0.000 2.584) 9.356 7.711 ( 1.102 0.000 -3.981) 4.131 7.761 ( -4.523 0.000 6.948) 8.291 7.869 ( -4.505 0.000 -2.353) 5.082 8.011 ( -2.130 0.000 4.152) 4.667 8.067 ( -3.883 0.000 -0.830) 3.971 8.138 ( -4.099 0.000 -2.787) 4.956 8.229 ( -0.598 0.000 2.086) 2.170 8.373 ( 4.645 0.000 4.951) 6.788 8.423 ( -5.919 0.000 12.646) 13.963 8.719 ( -3.002 0.000 -3.511) 4.620 8.730 ( -4.544 0.000 1.515) 4.790 8.759 ( -7.369 0.000 -0.263) 7.373 8.794 ( -0.300 0.000 -1.845) 1.870 8.937 ( 7.426 0.000 -2.406) 7.806 8.956 ( 4.331 0.000 0.714) 4.389 9.236 ( -1.414 0.000 -0.241) 1.434 9.238 ( -7.120 0.000 0.261) 7.125 9.306 ( -1.596 0.000 2.456) 2.929 9.338 ( -6.730 0.000 0.713) 6.767 9.445 ( 0.288 0.000 1.513) 1.540 9.489 ( -0.630 0.000 3.462) 3.519 9.655 ( -0.190 0.000 -1.868) 1.878 9.849 ( -6.408 0.000 -0.124) 6.409 9.986 ( 1.831 0.000 -4.193) 4.575 10.035 ( 2.051 0.000 -1.625) 2.616 10.097 ( 3.485 0.000 -2.432) 4.250 10.108 ( 0.559 0.000 -1.073) 1.210 10.219 ( 1.246 0.000 4.540) 4.708 10.279 ( 2.217 0.000 4.626) 5.130 10.318 ( -1.987 0.000 0.853) 2.163 10.550 ( -1.135 0.000 -5.497) 5.613 10.648 ( 4.647 0.000 4.725) 6.627 10.651 ( 4.010 0.000 -2.746) 4.860 10.824 ( -1.776 0.000 0.282) 1.798 10.841 ( -1.115 0.000 1.681) 2.018 11.056 ( 3.838 0.000 2.016) 4.335 11.084 ( -6.122 0.000 2.550) 6.632 11.460 ( -6.233 0.000 1.661) 6.451 11.534 ( -2.094 0.000 -5.464) 5.851 11.685 ( -11.606 0.000 3.529) 12.130 11.712 ( -3.665 0.000 -1.489) 3.956 11.799 ( -5.060 0.000 3.160) 5.966 11.850 ( -2.767 0.000 6.669) 7.220 12.064 ( -4.347 0.000 -1.397) 4.566 12.075 ( -8.362 0.000 6.647) 10.681 12.451 ( -3.465 0.000 -1.419) 3.745 12.550 ( 5.457 0.000 -4.727) 7.220 12.900 ( -1.008 0.000 1.319) 1.660 12.978 ( 5.685 0.000 3.835) 6.857 12.997 ( -9.227 0.000 -3.704) 9.942 13.076 ( -10.211 0.000 -5.818) 11.752 13.333 ( 6.122 0.000 2.375) 6.567 13.436 ( -2.189 0.000 -5.292) 5.726 13.595 ( 25.159 0.000 2.306) 25.264 13.722 ( 6.412 0.000 -2.260) 6.798 13.875 ( -8.485 0.000 -0.937) 8.537 14.095 ( 8.247 0.000 2.778) 8.702 14.112 ( 8.243 0.000 -3.615) 9.001 14.163 ( 2.345 0.000 0.723) 2.453 14.276 ( -5.120 0.000 -1.422) 5.313 14.304 ( 16.122 0.000 5.573) 17.058 14.657 ( 7.767 0.000 -6.597) 10.191 14.706 ( 21.029 0.000 -15.310) 26.012 15.099 ( -1.746 0.000 -1.236) 2.140 15.215 ( 1.753 0.000 1.968) 2.636 15.347 ( 4.463 0.000 7.005) 8.306 15.508 ( 3.299 0.000 0.053) 3.300 15.636 ( -1.976 0.000 0.537) 2.048 15.820 ( 4.210 0.000 -10.758) 11.553 15.965 ( 1.038 0.000 -3.220) 3.383 15.977 ( 9.858 0.000 -13.415) 16.648 16.198 ( 2.891 0.000 -0.410) 2.920 16.230 ( -3.443 0.000 -1.052) 3.600 16.469 ( -6.781 0.000 3.436) 7.602 16.485 ( 1.121 0.000 7.412) 7.496 16.611 ( -0.917 0.000 -0.589) 1.090 16.765 ( 5.425 0.000 1.379) 5.598 17.315 ( -3.362 0.000 -1.683) 3.760 17.457 ( 0.335 0.000 3.987) 4.001 17.500 ( 2.754 0.000 -0.281) 2.768 17.530 ( 5.137 0.000 -1.950) 5.495 19.086 ( -7.653 0.000 1.339) 7.769 19.210 ( -9.063 0.000 -0.884) 9.106 19.274 ( -6.099 0.000 -0.365) 6.110 19.275 ( -8.192 0.000 0.114) 8.193 24.967 ( -2.670 0.000 1.391) 3.011 25.148 ( -0.325 0.000 -6.111) 6.119 25.288 ( 11.103 0.000 1.293) 11.178 25.647 ( 27.989 0.000 -17.695) 33.113 26.898 ( -1.108 0.000 -1.020) 1.506 26.963 ( -1.664 0.000 1.856) 2.493 26.979 ( -0.687 0.000 -2.274) 2.375 27.017 ( 0.597 0.000 -2.425) 2.498 27.575 ( 0.247 0.000 0.500) 0.558 27.663 ( 0.395 0.000 -0.523) 0.656 28.126 ( 2.586 0.000 0.427) 2.621 28.146 ( 1.531 0.000 0.584) 1.639 28.447 ( -0.893 0.000 8.204) 8.252 28.654 ( 2.360 0.000 -0.549) 2.423 28.716 ( 6.520 0.000 -1.862) 6.781 28.848 ( 2.729 0.000 3.999) 4.841 28.991 ( 4.640 0.000 -2.846) 5.444 29.190 ( 7.352 0.000 -3.551) 8.165 29.494 ( -15.289 0.000 21.953) 26.752 29.824 ( -4.384 0.000 -2.595) 5.095 29.898 ( -7.588 0.000 -8.109) 11.105 30.182 ( -4.970 0.000 0.969) 5.064 30.228 ( 1.421 0.000 1.694) 2.211 30.340 ( -0.607 0.000 -5.519) 5.552 30.560 ( 8.166 0.000 -0.402) 8.176 30.589 ( -2.568 0.000 0.654) 2.650 30.770 ( -8.001 0.000 9.152) 12.156 31.427 ( -16.546 0.000 4.224) 17.076 ======================= Grid point 37 (15/54) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 25.298 0.000 10.658) 27.451 1.671 ( 31.697 0.000 15.645) 35.348 2.324 ( 4.143 0.000 -2.254) 4.716 2.573 ( -7.497 0.000 2.605) 7.936 2.670 ( -17.110 0.000 7.382) 18.635 2.877 ( 8.289 0.000 -15.913) 17.943 2.959 ( -2.618 0.000 -9.016) 9.388 3.035 ( 39.804 0.000 14.708) 42.435 3.166 ( 5.926 0.000 -3.199) 6.734 3.252 ( -2.557 0.000 1.843) 3.152 3.361 ( -0.152 0.000 0.884) 0.897 3.438 ( 3.629 0.000 -2.785) 4.574 3.541 ( 1.715 0.000 -1.690) 2.408 3.649 ( -5.788 0.000 -19.429) 20.273 3.776 ( 9.562 0.000 -2.152) 9.801 3.889 ( 5.573 0.000 5.115) 7.564 4.056 ( -0.726 0.000 0.813) 1.090 4.061 ( -10.590 0.000 0.858) 10.624 4.176 ( 1.886 0.000 11.930) 12.078 4.196 ( 2.215 0.000 -19.593) 19.718 4.249 ( 5.497 0.000 2.256) 5.942 4.276 ( 2.871 0.000 1.146) 3.092 4.312 ( -2.204 0.000 -2.222) 3.130 4.427 ( 13.446 0.000 -0.217) 13.448 4.441 ( 1.159 0.000 13.549) 13.599 4.482 ( 0.826 0.000 -7.859) 7.902 4.542 ( 5.435 0.000 3.570) 6.503 4.573 ( 12.804 0.000 7.629) 14.904 4.663 ( -1.718 0.000 5.153) 5.431 4.830 ( 3.051 0.000 -0.668) 3.123 4.915 ( -4.649 0.000 3.617) 5.890 5.016 ( 4.729 0.000 2.651) 5.421 5.100 ( -6.935 0.000 6.237) 9.328 5.112 ( 0.681 0.000 -5.926) 5.965 5.118 ( -2.299 0.000 -0.846) 2.449 5.275 ( 8.345 0.000 -4.653) 9.555 5.337 ( 2.164 0.000 4.776) 5.243 5.422 ( 8.296 0.000 -6.912) 10.798 5.440 ( 0.863 0.000 8.248) 8.293 5.500 ( 5.783 0.000 -6.248) 8.513 5.558 ( 2.911 0.000 10.026) 10.440 5.616 ( -7.405 0.000 2.052) 7.684 5.631 ( -3.152 0.000 -1.880) 3.669 5.723 ( -1.098 0.000 6.801) 6.889 5.837 ( 10.359 0.000 -1.086) 10.415 5.928 ( 6.261 0.000 2.345) 6.686 6.022 ( -6.504 0.000 -5.310) 8.396 6.031 ( -3.157 0.000 -5.161) 6.050 6.209 ( -7.818 0.000 3.086) 8.405 6.263 ( 6.294 0.000 -5.880) 8.613 6.278 ( -8.908 0.000 0.851) 8.949 6.384 ( -2.887 0.000 3.340) 4.415 6.518 ( -1.467 0.000 -9.369) 9.483 6.563 ( 2.113 0.000 -0.113) 2.116 6.729 ( -4.804 0.000 -4.777) 6.775 6.852 ( -3.295 0.000 -5.697) 6.581 6.955 ( -1.701 0.000 -4.834) 5.125 7.039 ( -1.599 0.000 2.079) 2.623 7.048 ( -2.915 0.000 -3.652) 4.673 7.221 ( -9.025 0.000 7.322) 11.622 7.255 ( -1.496 0.000 10.582) 10.687 7.275 ( -3.724 0.000 -8.098) 8.913 7.358 ( -10.521 0.000 -0.166) 10.523 7.379 ( 2.255 0.000 10.361) 10.604 7.502 ( -7.576 0.000 6.159) 9.764 7.613 ( -3.296 0.000 -11.383) 11.851 7.653 ( -3.821 0.000 2.063) 4.342 7.696 ( -2.384 0.000 0.384) 2.415 7.777 ( -3.948 0.000 -4.759) 6.183 7.901 ( 3.233 0.000 4.031) 5.168 7.966 ( 2.342 0.000 -0.289) 2.360 8.005 ( -1.246 0.000 6.081) 6.208 8.060 ( -4.001 0.000 -3.144) 5.089 8.210 ( -0.679 0.000 -0.786) 1.039 8.371 ( -0.738 0.000 6.875) 6.915 8.428 ( -0.448 0.000 0.915) 1.019 8.586 ( -6.906 0.000 -5.645) 8.920 8.641 ( -2.596 0.000 -0.476) 2.640 8.719 ( 0.877 0.000 3.658) 3.762 8.771 ( -0.970 0.000 -2.196) 2.401 9.022 ( -3.875 0.000 3.989) 5.561 9.050 ( 2.523 0.000 -2.161) 3.322 9.139 ( 1.767 0.000 -0.470) 1.829 9.214 ( -2.296 0.000 -2.083) 3.100 9.219 ( -3.873 0.000 -2.298) 4.504 9.301 ( 1.969 0.000 1.078) 2.245 9.418 ( -4.323 0.000 6.403) 7.725 9.503 ( 3.489 0.000 -0.239) 3.498 9.666 ( 0.703 0.000 0.701) 0.992 9.761 ( -2.203 0.000 -4.141) 4.690 9.993 ( -4.252 0.000 3.646) 5.601 10.033 ( 1.357 0.000 -3.930) 4.158 10.111 ( -1.815 0.000 -1.420) 2.305 10.143 ( 2.461 0.000 -7.057) 7.473 10.223 ( 2.656 0.000 7.446) 7.906 10.286 ( -0.605 0.000 4.464) 4.505 10.438 ( 8.843 0.000 4.341) 9.851 10.523 ( -0.301 0.000 -4.214) 4.225 10.636 ( -2.852 0.000 1.934) 3.446 10.716 ( -2.198 0.000 1.162) 2.486 10.780 ( 1.549 0.000 -5.118) 5.348 10.900 ( 2.898 0.000 -1.925) 3.479 11.034 ( 3.342 0.000 -2.509) 4.178 11.087 ( 0.074 0.000 0.508) 0.514 11.446 ( 1.044 0.000 4.771) 4.884 11.462 ( -9.507 0.000 3.683) 10.195 11.568 ( 0.349 0.000 -3.287) 3.306 11.630 ( 0.703 0.000 -1.326) 1.500 11.731 ( -1.585 0.000 1.548) 2.215 11.816 ( -1.606 0.000 6.525) 6.720 11.923 ( -8.157 0.000 1.801) 8.354 11.925 ( -8.458 0.000 -3.227) 9.053 12.369 ( -5.656 0.000 -1.000) 5.744 12.615 ( 0.908 0.000 -7.116) 7.174 12.805 ( -8.768 0.000 -1.943) 8.981 12.849 ( -4.345 0.000 0.375) 4.361 12.922 ( -4.522 0.000 0.578) 4.559 13.115 ( 7.678 0.000 3.847) 8.588 13.433 ( 1.307 0.000 -2.546) 2.861 13.483 ( 8.147 0.000 3.772) 8.978 13.667 ( -11.837 0.000 -2.978) 12.206 13.845 ( 7.072 0.000 -1.990) 7.347 13.979 ( 5.278 0.000 -0.112) 5.279 14.201 ( 0.394 0.000 -2.843) 2.870 14.277 ( 14.728 0.000 4.196) 15.314 14.283 ( 10.102 0.000 1.703) 10.244 14.367 ( 12.517 0.000 -4.469) 13.291 14.574 ( 11.726 0.000 3.321) 12.187 14.809 ( 7.655 0.000 -5.911) 9.671 14.958 ( 8.080 0.000 -4.321) 9.163 15.149 ( 7.316 0.000 -2.595) 7.762 15.250 ( 1.667 0.000 2.231) 2.785 15.375 ( -0.798 0.000 3.073) 3.175 15.557 ( -6.966 0.000 2.183) 7.300 15.656 ( 10.067 0.000 4.405) 10.989 15.708 ( -9.528 0.000 4.819) 10.677 15.975 ( 0.022 0.000 -3.370) 3.370 15.975 ( -3.554 0.000 -5.291) 6.374 16.125 ( -6.648 0.000 -1.198) 6.755 16.280 ( 4.960 0.000 1.761) 5.263 16.498 ( 2.582 0.000 -6.867) 7.336 16.504 ( 0.058 0.000 3.694) 3.695 16.607 ( 0.556 0.000 2.644) 2.702 16.879 ( 5.516 0.000 -0.959) 5.598 17.290 ( 0.230 0.000 -3.957) 3.964 17.448 ( -1.181 0.000 3.184) 3.396 17.553 ( 2.057 0.000 1.292) 2.429 17.640 ( 5.380 0.000 -5.589) 7.758 18.904 ( -9.756 0.000 0.534) 9.770 19.028 ( -8.642 0.000 -2.440) 8.980 19.079 ( -10.566 0.000 0.465) 10.577 19.139 ( -7.089 0.000 -1.463) 7.238 24.937 ( -0.842 0.000 1.898) 2.076 25.140 ( -0.051 0.000 -5.338) 5.338 25.520 ( 11.612 0.000 2.271) 11.832 26.048 ( 14.451 0.000 -13.053) 19.474 26.876 ( -1.318 0.000 -0.303) 1.353 26.915 ( -2.808 0.000 1.750) 3.309 26.965 ( -0.276 0.000 -2.751) 2.765 27.014 ( -0.704 0.000 -3.020) 3.101 27.586 ( 0.734 0.000 0.483) 0.878 27.667 ( 0.136 0.000 -0.395) 0.418 28.177 ( 1.252 0.000 1.103) 1.668 28.177 ( 2.230 0.000 0.271) 2.247 28.442 ( -0.158 0.000 8.893) 8.894 28.737 ( 6.336 0.000 -1.726) 6.567 28.799 ( -0.105 0.000 9.595) 9.595 28.931 ( 7.352 0.000 -2.346) 7.717 29.110 ( 6.932 0.000 -3.147) 7.613 29.373 ( 10.810 0.000 -2.253) 11.042 29.390 ( 2.630 0.000 13.983) 14.228 29.702 ( -11.499 0.000 -6.400) 13.160 29.709 ( -7.689 0.000 -5.218) 9.293 30.092 ( -4.866 0.000 5.091) 7.042 30.213 ( -7.794 0.000 -7.823) 11.042 30.266 ( -0.554 0.000 2.805) 2.860 30.561 ( -7.561 0.000 8.594) 11.447 30.630 ( 0.496 0.000 -1.023) 1.137 30.651 ( 1.837 0.000 -1.292) 2.246 31.183 ( -8.297 0.000 1.233) 8.388 ======================= Grid point 38 (16/54) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 14.925 0.000 -0.366) 14.930 2.166 ( 13.847 0.000 10.107) 17.144 2.301 ( -11.082 0.000 4.588) 11.995 2.485 ( 0.016 0.000 8.896) 8.896 2.531 ( 9.021 0.000 7.417) 11.679 2.897 ( -1.935 0.000 -8.464) 8.682 3.021 ( 6.288 0.000 -8.943) 10.932 3.114 ( -7.786 0.000 -1.274) 7.889 3.170 ( 1.016 0.000 -8.421) 8.482 3.203 ( -8.661 0.000 -7.585) 11.512 3.501 ( -1.791 0.000 -4.458) 4.804 3.528 ( 0.936 0.000 -8.718) 8.768 3.592 ( 5.094 0.000 -6.563) 8.307 3.720 ( 4.195 0.000 0.411) 4.215 3.750 ( -7.705 0.000 0.054) 7.705 3.909 ( -3.480 0.000 3.641) 5.037 3.992 ( -2.970 0.000 -5.126) 5.924 4.033 ( 8.629 0.000 0.794) 8.665 4.183 ( 1.746 0.000 10.757) 10.898 4.253 ( 0.679 0.000 -2.163) 2.267 4.255 ( 7.074 0.000 -6.284) 9.462 4.363 ( 7.320 0.000 7.416) 10.420 4.408 ( 2.441 0.000 -0.733) 2.549 4.487 ( 1.895 0.000 3.221) 3.737 4.575 ( 7.869 0.000 -10.472) 13.099 4.592 ( 3.063 0.000 2.050) 3.686 4.602 ( 0.389 0.000 7.846) 7.856 4.700 ( 9.394 0.000 5.856) 11.070 4.791 ( 3.226 0.000 10.631) 11.110 4.829 ( -7.333 0.000 2.903) 7.887 4.929 ( -2.356 0.000 -1.011) 2.564 5.040 ( -1.914 0.000 -1.103) 2.209 5.121 ( 17.200 0.000 8.472) 19.173 5.132 ( 2.687 0.000 -4.541) 5.276 5.152 ( 3.008 0.000 -1.429) 3.330 5.269 ( -9.675 0.000 1.252) 9.756 5.354 ( -16.266 0.000 8.011) 18.132 5.399 ( -1.547 0.000 -0.063) 1.548 5.441 ( -5.040 0.000 3.115) 5.925 5.460 ( -2.546 0.000 1.000) 2.735 5.525 ( -13.075 0.000 2.898) 13.392 5.573 ( 6.403 0.000 4.838) 8.025 5.659 ( -0.605 0.000 4.614) 4.653 5.786 ( 7.511 0.000 -8.199) 11.120 5.811 ( 7.794 0.000 10.973) 13.460 5.883 ( -3.030 0.000 -5.547) 6.320 6.021 ( -1.047 0.000 -4.080) 4.212 6.065 ( 6.663 0.000 1.833) 6.911 6.223 ( 7.638 0.000 -2.682) 8.096 6.324 ( 6.343 0.000 4.857) 7.989 6.345 ( 3.741 0.000 -2.522) 4.512 6.451 ( 2.886 0.000 -5.213) 5.958 6.469 ( -6.425 0.000 -1.400) 6.576 6.606 ( 8.712 0.000 -11.720) 14.603 6.736 ( -0.512 0.000 -1.234) 1.336 6.809 ( -9.915 0.000 -1.578) 10.040 6.851 ( 4.440 0.000 2.019) 4.878 6.900 ( -9.002 0.000 2.483) 9.338 6.962 ( -1.801 0.000 -3.747) 4.157 7.131 ( -8.114 0.000 0.347) 8.121 7.153 ( -4.299 0.000 4.614) 6.306 7.160 ( -6.159 0.000 -5.780) 8.446 7.232 ( 0.811 0.000 5.914) 5.970 7.315 ( -8.401 0.000 7.063) 10.975 7.470 ( 1.314 0.000 5.156) 5.321 7.544 ( -2.520 0.000 -6.381) 6.861 7.602 ( -1.143 0.000 -2.827) 3.049 7.658 ( 1.014 0.000 1.068) 1.473 7.742 ( 0.934 0.000 -2.196) 2.387 7.836 ( -4.811 0.000 0.517) 4.839 7.952 ( -0.809 0.000 5.165) 5.228 7.985 ( -2.876 0.000 -1.131) 3.090 8.160 ( 8.241 0.000 -0.318) 8.247 8.204 ( -0.169 0.000 -3.790) 3.794 8.349 ( -6.147 0.000 -1.551) 6.339 8.359 ( -0.988 0.000 2.891) 3.055 8.499 ( -1.823 0.000 -6.407) 6.661 8.649 ( 2.324 0.000 -5.782) 6.232 8.765 ( 2.702 0.000 8.282) 8.712 8.777 ( 1.863 0.000 -0.305) 1.888 8.916 ( -4.916 0.000 3.821) 6.226 9.043 ( -1.617 0.000 -3.547) 3.898 9.123 ( -4.139 0.000 -0.417) 4.160 9.145 ( -0.397 0.000 3.797) 3.818 9.235 ( 2.543 0.000 -3.505) 4.330 9.349 ( 0.535 0.000 3.262) 3.306 9.387 ( -0.052 0.000 3.169) 3.169 9.540 ( 0.277 0.000 -1.408) 1.435 9.682 ( 1.544 0.000 0.851) 1.763 9.762 ( 2.774 0.000 -5.149) 5.849 9.946 ( -0.957 0.000 7.760) 7.819 10.019 ( -1.279 0.000 -2.418) 2.735 10.076 ( -1.743 0.000 -1.603) 2.368 10.117 ( -5.127 0.000 -7.852) 9.377 10.281 ( -0.820 0.000 6.753) 6.803 10.341 ( 7.978 0.000 1.821) 8.183 10.526 ( -2.821 0.000 2.768) 3.953 10.545 ( 2.296 0.000 -3.467) 4.159 10.631 ( 4.728 0.000 -0.706) 4.780 10.638 ( -1.831 0.000 -2.408) 3.025 10.851 ( 3.567 0.000 -3.199) 4.792 10.912 ( -0.606 0.000 -2.782) 2.847 11.071 ( -3.131 0.000 -0.349) 3.151 11.187 ( 8.872 0.000 -0.128) 8.873 11.272 ( -8.264 0.000 8.770) 12.050 11.458 ( -5.989 0.000 -1.651) 6.212 11.469 ( 0.479 0.000 -0.029) 0.480 11.725 ( -6.512 0.000 4.950) 8.180 11.730 ( -3.611 0.000 6.408) 7.355 11.774 ( 8.461 0.000 -1.440) 8.583 11.832 ( 3.870 0.000 -3.648) 5.318 11.852 ( 0.598 0.000 -3.094) 3.151 12.222 ( -8.313 0.000 -5.716) 10.088 12.566 ( -4.853 0.000 -10.654) 11.707 12.700 ( -1.436 0.000 4.460) 4.685 12.785 ( -1.534 0.000 0.552) 1.630 12.910 ( 2.720 0.000 6.617) 7.154 13.252 ( 3.359 0.000 0.444) 3.388 13.447 ( -0.064 0.000 0.928) 0.930 13.454 ( -6.450 0.000 -1.024) 6.530 13.609 ( 3.390 0.000 4.409) 5.561 13.968 ( -1.449 0.000 -2.258) 2.683 14.001 ( 8.439 0.000 -6.337) 10.553 14.153 ( -4.929 0.000 -4.044) 6.376 14.441 ( 4.904 0.000 1.098) 5.026 14.484 ( 3.532 0.000 1.954) 4.036 14.656 ( 13.113 0.000 0.256) 13.115 14.745 ( 4.820 0.000 -1.828) 5.155 14.940 ( 5.210 0.000 -1.516) 5.426 15.098 ( 6.324 0.000 1.527) 6.505 15.251 ( -4.730 0.000 -2.008) 5.139 15.275 ( 0.917 0.000 0.445) 1.019 15.343 ( -2.712 0.000 -0.668) 2.793 15.383 ( -3.694 0.000 0.815) 3.783 15.573 ( -2.900 0.000 4.763) 5.576 15.809 ( 2.383 0.000 8.362) 8.695 15.937 ( -0.330 0.000 0.611) 0.694 15.977 ( -1.652 0.000 -6.764) 6.963 16.029 ( 2.177 0.000 0.801) 2.320 16.379 ( 4.165 0.000 -1.541) 4.441 16.474 ( -3.341 0.000 -1.013) 3.491 16.489 ( -2.689 0.000 -3.083) 4.091 16.633 ( 1.773 0.000 7.099) 7.318 16.958 ( 2.192 0.000 -1.734) 2.795 17.314 ( 2.517 0.000 -1.270) 2.819 17.410 ( -2.786 0.000 1.254) 3.055 17.573 ( -0.099 0.000 1.146) 1.150 17.725 ( 3.511 0.000 -5.078) 6.173 18.756 ( -4.360 0.000 -0.076) 4.361 18.904 ( -3.275 0.000 -3.211) 4.587 18.919 ( -4.637 0.000 1.127) 4.772 19.027 ( -3.619 0.000 -2.206) 4.239 24.926 ( -0.443 0.000 1.918) 1.968 25.143 ( 0.573 0.000 -4.590) 4.626 25.701 ( 5.759 0.000 3.422) 6.699 26.222 ( 4.073 0.000 -8.641) 9.553 26.832 ( -2.512 0.000 1.842) 3.115 26.889 ( 0.000 0.000 -0.088) 0.088 26.970 ( 0.689 0.000 -3.106) 3.181 26.992 ( -1.141 0.000 -3.642) 3.816 27.600 ( 0.567 0.000 0.724) 0.920 27.670 ( 0.140 0.000 -0.605) 0.621 28.196 ( 0.810 0.000 0.717) 1.082 28.205 ( 0.659 0.000 0.109) 0.668 28.445 ( 0.076 0.000 10.974) 10.974 28.764 ( -2.835 0.000 12.629) 12.943 28.887 ( 8.405 0.000 -3.841) 9.241 29.089 ( 7.965 0.000 -3.440) 8.676 29.188 ( -2.225 0.000 -0.323) 2.248 29.478 ( -4.758 0.000 -0.532) 4.788 29.515 ( -3.346 0.000 -9.426) 10.002 29.560 ( 5.522 0.000 0.009) 5.522 29.598 ( 6.243 0.000 6.643) 9.116 29.984 ( -6.254 0.000 5.435) 8.286 30.061 ( -4.523 0.000 -5.109) 6.823 30.237 ( -3.264 0.000 -1.120) 3.450 30.421 ( -4.054 0.000 5.058) 6.482 30.659 ( -0.349 0.000 -2.595) 2.619 30.684 ( 2.662 0.000 2.429) 3.603 31.080 ( -3.242 0.000 -2.922) 4.364 ======================= Grid point 39 (17/54) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( -12.655 0.000 4.443) 13.412 2.114 ( -11.232 0.000 2.100) 11.426 2.266 ( -1.661 0.000 7.319) 7.505 2.517 ( -2.649 0.000 6.431) 6.955 2.541 ( 3.814 0.000 9.212) 9.970 2.950 ( -9.417 0.000 -11.353) 14.750 2.971 ( -1.607 0.000 -8.841) 8.986 3.144 ( 4.735 0.000 -4.504) 6.535 3.155 ( 16.430 0.000 6.204) 17.563 3.333 ( -8.446 0.000 -12.115) 14.768 3.350 ( 7.532 0.000 -14.096) 15.982 3.612 ( -1.826 0.000 5.013) 5.335 3.621 ( 9.163 0.000 -9.377) 13.110 3.651 ( -4.702 0.000 1.140) 4.838 3.759 ( -2.239 0.000 1.095) 2.493 3.829 ( 3.125 0.000 -1.888) 3.652 3.922 ( -11.455 0.000 -2.181) 11.660 3.996 ( 1.985 0.000 -5.627) 5.967 4.217 ( -1.754 0.000 5.419) 5.696 4.247 ( -5.392 0.000 5.333) 7.584 4.254 ( -6.813 0.000 -2.632) 7.304 4.428 ( -13.459 0.000 2.525) 13.694 4.428 ( -7.646 0.000 -1.493) 7.790 4.508 ( -14.458 0.000 -0.199) 14.459 4.559 ( 11.306 0.000 0.422) 11.313 4.664 ( 6.272 0.000 14.075) 15.409 4.705 ( 1.688 0.000 8.302) 8.472 4.752 ( 1.865 0.000 -3.580) 4.036 4.780 ( -9.676 0.000 0.944) 9.722 4.840 ( -2.968 0.000 5.377) 6.142 4.888 ( 2.455 0.000 2.142) 3.258 4.962 ( 9.097 0.000 5.244) 10.501 5.026 ( -2.196 0.000 -1.843) 2.866 5.081 ( 5.218 0.000 0.049) 5.219 5.174 ( -0.218 0.000 -6.787) 6.790 5.197 ( 1.955 0.000 1.583) 2.515 5.324 ( 0.980 0.000 -1.645) 1.915 5.325 ( -7.831 0.000 2.559) 8.238 5.394 ( 1.660 0.000 -0.358) 1.699 5.486 ( -5.030 0.000 2.218) 5.497 5.597 ( 9.501 0.000 11.692) 15.066 5.647 ( -3.470 0.000 3.940) 5.250 5.677 ( 3.027 0.000 -3.525) 4.647 5.740 ( -5.924 0.000 7.333) 9.427 5.877 ( -3.575 0.000 7.125) 7.972 5.904 ( 0.949 0.000 -3.452) 3.580 5.928 ( -0.193 0.000 -7.203) 7.205 6.199 ( -5.215 0.000 -3.014) 6.023 6.224 ( 2.846 0.000 5.894) 6.545 6.288 ( -8.661 0.000 -3.948) 9.519 6.301 ( -6.057 0.000 -1.081) 6.153 6.443 ( 3.882 0.000 -4.355) 5.834 6.608 ( 10.961 0.000 2.179) 11.175 6.641 ( -3.228 0.000 -4.022) 5.158 6.789 ( 6.973 0.000 -3.363) 7.741 6.795 ( -10.707 0.000 -0.571) 10.722 6.825 ( 2.087 0.000 -4.862) 5.291 6.912 ( 0.511 0.000 -1.339) 1.433 6.923 ( 11.407 0.000 0.978) 11.449 7.073 ( 4.388 0.000 -2.595) 5.098 7.126 ( -1.454 0.000 0.787) 1.653 7.187 ( -1.703 0.000 1.109) 2.033 7.264 ( 6.639 0.000 4.665) 8.114 7.276 ( 15.673 0.000 3.696) 16.103 7.399 ( -6.653 0.000 1.228) 6.766 7.494 ( -1.985 0.000 -2.528) 3.214 7.655 ( 3.029 0.000 1.754) 3.500 7.764 ( -0.604 0.000 -3.598) 3.648 7.780 ( 8.859 0.000 3.807) 9.642 7.809 ( 4.974 0.000 0.356) 4.987 7.914 ( -4.435 0.000 1.135) 4.578 7.979 ( 3.014 0.000 -0.628) 3.079 8.195 ( -0.478 0.000 -4.545) 4.570 8.227 ( -4.361 0.000 5.020) 6.650 8.256 ( 0.242 0.000 -3.323) 3.332 8.333 ( -1.948 0.000 0.528) 2.019 8.526 ( 5.187 0.000 -3.895) 6.486 8.663 ( -1.286 0.000 -6.827) 6.947 8.820 ( 3.563 0.000 6.879) 7.747 8.839 ( 3.850 0.000 0.064) 3.850 8.867 ( 0.062 0.000 4.605) 4.605 9.019 ( -0.653 0.000 -5.289) 5.329 9.126 ( 4.014 0.000 -0.229) 4.021 9.155 ( 1.128 0.000 3.565) 3.739 9.274 ( 1.770 0.000 0.514) 1.843 9.312 ( -3.795 0.000 2.851) 4.746 9.377 ( -1.013 0.000 1.728) 2.003 9.524 ( -1.441 0.000 -2.295) 2.710 9.744 ( 4.529 0.000 -0.391) 4.546 9.849 ( 4.672 0.000 -1.457) 4.894 9.895 ( -7.170 0.000 3.310) 7.897 9.999 ( -3.291 0.000 -3.366) 4.708 10.007 ( 0.599 0.000 -0.307) 0.673 10.044 ( -1.101 0.000 -4.614) 4.743 10.246 ( -2.586 0.000 5.728) 6.284 10.409 ( -7.741 0.000 -1.666) 7.918 10.467 ( 3.180 0.000 0.603) 3.237 10.606 ( 3.312 0.000 -2.478) 4.136 10.645 ( 1.370 0.000 -0.080) 1.373 10.716 ( 0.376 0.000 0.215) 0.433 10.867 ( -4.722 0.000 -3.265) 5.741 10.911 ( 2.641 0.000 -0.847) 2.774 10.966 ( -2.150 0.000 -0.684) 2.256 11.152 ( -8.001 0.000 -1.548) 8.149 11.216 ( 1.922 0.000 6.370) 6.654 11.497 ( 2.461 0.000 1.661) 2.969 11.538 ( 7.851 0.000 1.096) 7.927 11.645 ( 0.220 0.000 1.506) 1.522 11.667 ( -1.391 0.000 1.923) 2.373 11.825 ( -5.275 0.000 1.356) 5.447 11.889 ( 3.772 0.000 -3.573) 5.195 11.960 ( 6.321 0.000 1.393) 6.473 12.161 ( 4.942 0.000 -4.849) 6.924 12.474 ( -2.805 0.000 -11.734) 12.064 12.749 ( 5.667 0.000 5.234) 7.714 12.777 ( 0.271 0.000 1.607) 1.630 13.016 ( 7.540 0.000 8.193) 11.134 13.129 ( -10.241 0.000 -4.226) 11.079 13.439 ( -0.612 0.000 0.593) 0.852 13.514 ( 3.111 0.000 -1.301) 3.372 13.621 ( 1.730 0.000 5.472) 5.739 13.963 ( 0.350 0.000 -0.559) 0.660 14.013 ( -8.491 0.000 -4.011) 9.390 14.139 ( 4.511 0.000 -8.664) 9.768 14.442 ( -7.240 0.000 1.554) 7.405 14.450 ( -3.881 0.000 1.376) 4.118 14.700 ( -10.558 0.000 -5.317) 11.821 14.784 ( -0.470 0.000 3.535) 3.566 14.971 ( -2.089 0.000 -0.520) 2.153 14.993 ( -10.365 0.000 2.217) 10.599 15.252 ( -6.331 0.000 -1.295) 6.463 15.266 ( 6.410 0.000 -1.610) 6.609 15.288 ( -0.114 0.000 -0.019) 0.116 15.353 ( -3.095 0.000 -0.584) 3.150 15.598 ( 2.450 0.000 5.314) 5.851 15.774 ( -4.374 0.000 5.038) 6.672 15.936 ( -0.007 0.000 -5.070) 5.070 15.967 ( 3.642 0.000 1.850) 4.085 16.173 ( 8.257 0.000 3.783) 9.083 16.375 ( -5.130 0.000 -5.024) 7.181 16.376 ( -6.197 0.000 -2.107) 6.545 16.457 ( 0.844 0.000 -0.985) 1.297 16.672 ( 1.621 0.000 6.222) 6.429 16.957 ( -1.730 0.000 -1.994) 2.640 17.356 ( -2.230 0.000 -1.311) 2.586 17.389 ( 4.541 0.000 1.778) 4.877 17.558 ( -1.164 0.000 0.150) 1.174 17.776 ( 2.038 0.000 -3.215) 3.807 18.757 ( 4.386 0.000 0.167) 4.389 18.910 ( 3.841 0.000 -3.620) 5.278 18.922 ( 4.761 0.000 1.144) 4.897 19.017 ( 2.891 0.000 -2.192) 3.628 24.920 ( -0.221 0.000 1.585) 1.600 25.156 ( 0.840 0.000 -4.145) 4.229 25.718 ( -4.445 0.000 4.233) 6.138 26.207 ( -4.990 0.000 -9.741) 10.945 26.813 ( 0.788 0.000 1.065) 1.324 26.900 ( 0.921 0.000 0.321) 0.976 26.949 ( -1.988 0.000 -3.968) 4.438 27.004 ( 1.551 0.000 -2.130) 2.635 27.607 ( 0.114 0.000 1.005) 1.011 27.671 ( -0.069 0.000 -0.868) 0.870 28.205 ( -0.714 0.000 0.114) 0.723 28.212 ( 0.889 0.000 -0.751) 1.164 28.454 ( 0.350 0.000 12.648) 12.652 28.715 ( -2.639 0.000 10.121) 10.459 28.966 ( -6.576 0.000 -0.291) 6.582 29.078 ( -0.065 0.000 -5.644) 5.644 29.200 ( -1.392 0.000 -0.590) 1.512 29.312 ( -3.119 0.000 2.113) 3.768 29.457 ( -7.468 0.000 -5.400) 9.216 29.643 ( 6.640 0.000 -2.705) 7.170 29.814 ( 4.013 0.000 1.011) 4.138 29.921 ( 7.317 0.000 10.599) 12.880 30.054 ( 1.873 0.000 -4.964) 5.306 30.225 ( 2.887 0.000 -3.694) 4.688 30.408 ( 2.934 0.000 5.833) 6.529 30.645 ( -0.919 0.000 -3.120) 3.252 30.720 ( 0.969 0.000 4.457) 4.561 31.023 ( -2.878 0.000 -5.184) 5.930 ======================= Grid point 40 (18/54) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -28.730 0.000 13.641) 31.804 1.661 ( -30.576 0.000 14.567) 33.869 2.342 ( 8.856 0.000 -4.469) 9.920 2.499 ( -23.933 0.000 1.675) 23.992 2.661 ( 12.204 0.000 8.034) 14.611 2.755 ( -3.831 0.000 -0.091) 3.832 2.941 ( 1.285 0.000 -9.154) 9.244 3.063 ( -13.701 0.000 -17.426) 22.168 3.208 ( 1.340 0.000 0.145) 1.347 3.239 ( -10.411 0.000 3.733) 11.060 3.320 ( -6.967 0.000 -5.471) 8.858 3.593 ( -11.425 0.000 10.779) 15.707 3.635 ( 4.264 0.000 -1.552) 4.538 3.748 ( 1.657 0.000 -1.529) 2.255 3.769 ( 2.665 0.000 -1.435) 3.027 3.794 ( -5.204 0.000 -4.784) 7.069 3.900 ( -6.937 0.000 2.401) 7.340 3.906 ( -1.351 0.000 -3.268) 3.536 4.058 ( 6.506 0.000 -7.131) 9.653 4.099 ( -10.396 0.000 3.553) 10.987 4.159 ( 2.466 0.000 -5.504) 6.031 4.217 ( -3.725 0.000 -1.050) 3.871 4.387 ( 1.038 0.000 -2.325) 2.546 4.420 ( 3.878 0.000 0.028) 3.878 4.550 ( -11.511 0.000 6.295) 13.120 4.592 ( -12.160 0.000 12.432) 17.390 4.722 ( -0.768 0.000 -0.748) 1.072 4.763 ( 4.529 0.000 -3.642) 5.812 4.871 ( 3.376 0.000 1.185) 3.578 4.885 ( 3.641 0.000 4.604) 5.870 4.912 ( 3.946 0.000 10.200) 10.937 4.928 ( -0.965 0.000 0.305) 1.012 5.086 ( 2.003 0.000 -4.034) 4.504 5.182 ( 2.086 0.000 -1.536) 2.590 5.198 ( 0.238 0.000 -1.669) 1.686 5.237 ( -2.612 0.000 6.439) 6.949 5.276 ( 6.307 0.000 -1.295) 6.438 5.318 ( -6.469 0.000 3.806) 7.506 5.420 ( -4.353 0.000 3.723) 5.728 5.464 ( -3.106 0.000 3.290) 4.524 5.536 ( -6.071 0.000 9.476) 11.254 5.570 ( 0.125 0.000 -3.329) 3.331 5.585 ( 0.379 0.000 3.571) 3.591 5.714 ( -1.783 0.000 -13.713) 13.829 5.746 ( 2.072 0.000 -2.164) 2.996 5.823 ( -8.943 0.000 -0.796) 8.978 6.065 ( -3.514 0.000 3.496) 4.956 6.157 ( -4.471 0.000 -4.097) 6.064 6.179 ( 1.350 0.000 1.184) 1.796 6.243 ( -5.457 0.000 -4.606) 7.141 6.261 ( 17.212 0.000 2.664) 17.417 6.476 ( -11.421 0.000 6.379) 13.082 6.482 ( 1.684 0.000 -2.158) 2.737 6.580 ( -7.685 0.000 -15.556) 17.351 6.853 ( 7.194 0.000 -2.122) 7.500 6.864 ( 5.474 0.000 2.834) 6.164 6.936 ( 4.180 0.000 -3.766) 5.626 7.002 ( 6.738 0.000 -5.684) 8.815 7.055 ( 2.527 0.000 1.239) 2.815 7.115 ( 9.662 0.000 4.414) 10.622 7.250 ( 1.305 0.000 4.021) 4.228 7.318 ( 3.087 0.000 1.937) 3.645 7.335 ( 9.445 0.000 -5.924) 11.149 7.413 ( 9.070 0.000 -2.767) 9.483 7.506 ( 7.023 0.000 2.763) 7.547 7.591 ( 10.875 0.000 10.064) 14.817 7.637 ( -2.838 0.000 4.567) 5.377 7.766 ( -7.494 0.000 -3.587) 8.308 7.839 ( 3.555 0.000 -4.212) 5.512 7.900 ( 3.995 0.000 -0.327) 4.008 7.904 ( 3.435 0.000 7.683) 8.416 8.087 ( 4.677 0.000 0.667) 4.724 8.176 ( -0.326 0.000 12.213) 12.218 8.178 ( -1.403 0.000 -3.684) 3.943 8.236 ( -1.761 0.000 -4.696) 5.016 8.312 ( 2.654 0.000 -2.223) 3.462 8.623 ( -1.430 0.000 -4.048) 4.293 8.665 ( 7.578 0.000 -1.078) 7.654 8.890 ( 0.738 0.000 -0.667) 0.995 8.905 ( 2.750 0.000 4.408) 5.195 8.916 ( 5.064 0.000 4.995) 7.113 9.002 ( -1.094 0.000 -5.494) 5.602 9.163 ( -2.199 0.000 1.560) 2.696 9.166 ( -3.434 0.000 -1.619) 3.797 9.290 ( 3.977 0.000 2.422) 4.656 9.300 ( 0.278 0.000 3.946) 3.956 9.361 ( 0.207 0.000 1.582) 1.595 9.512 ( 1.915 0.000 -2.195) 2.913 9.725 ( -4.090 0.000 -5.171) 6.593 9.866 ( 3.879 0.000 2.259) 4.489 9.879 ( -0.877 0.000 2.478) 2.629 9.980 ( 1.093 0.000 1.203) 1.626 10.032 ( -0.094 0.000 -6.497) 6.497 10.069 ( 4.493 0.000 -1.940) 4.894 10.219 ( 0.430 0.000 3.157) 3.186 10.249 ( -7.492 0.000 -1.883) 7.725 10.465 ( -2.778 0.000 5.427) 6.097 10.531 ( -12.985 0.000 -4.715) 13.814 10.604 ( -3.906 0.000 3.183) 5.038 10.653 ( -1.151 0.000 -3.752) 3.925 10.895 ( 3.211 0.000 1.533) 3.558 10.963 ( 2.927 0.000 0.422) 2.957 10.993 ( 4.025 0.000 -2.794) 4.900 11.072 ( 0.257 0.000 0.556) 0.613 11.302 ( 5.316 0.000 1.566) 5.542 11.541 ( -2.254 0.000 -4.184) 4.753 11.581 ( 6.204 0.000 6.094) 8.696 11.676 ( 2.834 0.000 -0.800) 2.945 11.699 ( 0.939 0.000 0.858) 1.272 11.787 ( 1.380 0.000 6.919) 7.055 11.982 ( 6.933 0.000 -4.933) 8.509 12.040 ( 1.840 0.000 5.681) 5.971 12.333 ( 10.490 0.000 0.610) 10.508 12.465 ( 1.578 0.000 -10.227) 10.348 12.787 ( 0.581 0.000 -0.818) 1.004 12.865 ( 1.532 0.000 -1.718) 2.302 12.977 ( -0.778 0.000 0.182) 0.799 13.194 ( 9.656 0.000 8.647) 12.962 13.418 ( -8.428 0.000 -3.285) 9.046 13.430 ( -0.038 0.000 -0.904) 0.904 13.708 ( -1.472 0.000 0.685) 1.623 13.815 ( -11.537 0.000 -5.751) 12.890 13.977 ( 3.054 0.000 4.096) 5.109 14.143 ( -4.005 0.000 -7.048) 8.107 14.268 ( -7.981 0.000 2.101) 8.253 14.330 ( -7.292 0.000 0.653) 7.322 14.406 ( -16.153 0.000 -1.511) 16.223 14.635 ( -14.202 0.000 6.932) 15.804 14.812 ( -10.513 0.000 -10.602) 14.931 14.873 ( -7.616 0.000 -3.765) 8.496 15.141 ( -3.652 0.000 -2.965) 4.704 15.259 ( -4.972 0.000 2.309) 5.482 15.267 ( -1.656 0.000 2.677) 3.148 15.369 ( 1.432 0.000 1.125) 1.821 15.600 ( -1.591 0.000 -0.030) 1.591 15.670 ( -5.942 0.000 3.420) 6.856 15.961 ( 1.514 0.000 -3.483) 3.798 16.066 ( 5.390 0.000 1.316) 5.548 16.263 ( -3.882 0.000 -2.450) 4.590 16.264 ( -4.984 0.000 -3.097) 5.868 16.318 ( 5.880 0.000 4.113) 7.175 16.481 ( 1.904 0.000 -2.352) 3.026 16.692 ( 0.092 0.000 4.215) 4.216 16.914 ( -2.187 0.000 -1.880) 2.884 17.333 ( -0.016 0.000 -2.433) 2.433 17.455 ( 1.423 0.000 2.128) 2.560 17.533 ( -1.415 0.000 -0.316) 1.450 17.811 ( 1.783 0.000 -1.958) 2.648 18.905 ( 9.693 0.000 0.818) 9.727 19.030 ( 8.095 0.000 -3.589) 8.855 19.077 ( 10.047 0.000 0.300) 10.051 19.127 ( 7.625 0.000 -0.880) 7.676 24.924 ( 0.817 0.000 1.245) 1.489 25.170 ( 0.756 0.000 -4.344) 4.409 25.550 ( -11.884 0.000 3.729) 12.456 26.026 ( -13.278 0.000 -15.700) 20.563 26.854 ( 2.896 0.000 0.121) 2.899 26.909 ( -1.699 0.000 -3.410) 3.810 26.922 ( 1.304 0.000 0.773) 1.516 27.027 ( 0.773 0.000 -0.528) 0.936 27.605 ( -0.412 0.000 1.234) 1.300 27.664 ( -0.509 0.000 -1.204) 1.307 28.174 ( -2.408 0.000 0.189) 2.416 28.227 ( 0.463 0.000 -2.869) 2.906 28.473 ( 1.265 0.000 12.221) 12.286 28.668 ( -2.654 0.000 8.023) 8.451 28.784 ( -8.308 0.000 0.722) 8.340 29.014 ( -11.233 0.000 -0.628) 11.250 29.082 ( -1.920 0.000 -6.030) 6.328 29.269 ( -9.600 0.000 -4.727) 10.700 29.437 ( 10.664 0.000 15.004) 18.407 29.786 ( -1.319 0.000 -4.750) 4.929 29.802 ( 9.002 0.000 -2.713) 9.402 30.111 ( 3.664 0.000 -7.844) 8.658 30.203 ( 14.286 0.000 11.870) 18.574 30.247 ( -0.288 0.000 -2.954) 2.968 30.558 ( 9.723 0.000 4.064) 10.538 30.627 ( -0.301 0.000 -2.021) 2.043 30.736 ( 1.028 0.000 8.319) 8.382 30.957 ( -3.263 0.000 -5.940) 6.777 ======================= Grid point 41 (19/54) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -27.977 0.000 23.186) 36.337 1.081 ( -27.131 0.000 27.045) 38.308 1.671 ( -46.347 0.000 30.800) 55.648 2.520 ( 8.740 0.000 -6.031) 10.619 2.773 ( 1.328 0.000 -4.373) 4.570 2.804 ( -2.071 0.000 1.850) 2.777 2.868 ( -5.826 0.000 -16.355) 17.362 2.920 ( -10.184 0.000 -8.345) 13.166 3.183 ( 15.322 0.000 -1.090) 15.361 3.188 ( -4.594 0.000 -5.540) 7.197 3.220 ( -7.600 0.000 -2.451) 7.985 3.413 ( -3.376 0.000 4.508) 5.632 3.598 ( -6.292 0.000 -5.662) 8.465 3.651 ( 0.321 0.000 -5.581) 5.590 3.690 ( -6.722 0.000 -1.235) 6.835 3.692 ( -8.136 0.000 7.560) 11.107 3.773 ( -5.246 0.000 4.409) 6.853 3.959 ( 4.670 0.000 -4.366) 6.393 4.049 ( 0.283 0.000 2.895) 2.909 4.108 ( 0.592 0.000 -4.414) 4.453 4.221 ( 0.429 0.000 -3.297) 3.324 4.326 ( 0.630 0.000 -0.165) 0.651 4.351 ( -8.212 0.000 8.699) 11.963 4.379 ( 2.139 0.000 3.313) 3.944 4.419 ( -2.072 0.000 7.673) 7.948 4.504 ( 1.208 0.000 -7.870) 7.962 4.722 ( -4.437 0.000 7.695) 8.883 4.746 ( -1.541 0.000 0.462) 1.609 4.821 ( 4.629 0.000 -3.510) 5.809 4.829 ( -5.035 0.000 -4.694) 6.884 4.921 ( -16.971 0.000 -0.119) 16.972 5.073 ( 6.298 0.000 6.443) 9.010 5.086 ( -0.059 0.000 4.531) 4.532 5.124 ( 1.340 0.000 1.729) 2.188 5.188 ( -3.277 0.000 6.971) 7.703 5.205 ( -3.002 0.000 1.931) 3.569 5.229 ( 0.429 0.000 4.135) 4.157 5.314 ( -2.715 0.000 -0.359) 2.738 5.394 ( 1.558 0.000 2.227) 2.718 5.425 ( 6.609 0.000 0.513) 6.629 5.448 ( -2.991 0.000 -13.683) 14.006 5.519 ( -0.590 0.000 -2.807) 2.868 5.700 ( 6.136 0.000 -3.373) 7.002 5.777 ( 8.369 0.000 -2.527) 8.742 5.819 ( 4.530 0.000 3.353) 5.636 5.855 ( 5.687 0.000 -3.314) 6.582 5.996 ( -8.876 0.000 2.058) 9.111 6.011 ( -8.026 0.000 -7.130) 10.736 6.152 ( 2.605 0.000 -8.399) 8.793 6.167 ( -1.111 0.000 2.483) 2.720 6.362 ( -1.733 0.000 4.542) 4.862 6.414 ( -4.947 0.000 -7.293) 8.812 6.564 ( 4.804 0.000 -5.049) 6.970 6.609 ( 14.094 0.000 2.243) 14.271 6.906 ( -4.391 0.000 -0.554) 4.426 6.949 ( 5.072 0.000 -3.385) 6.097 6.958 ( -0.437 0.000 0.230) 0.494 7.092 ( 2.728 0.000 -1.191) 2.976 7.162 ( 6.631 0.000 -1.045) 6.713 7.230 ( 1.275 0.000 8.394) 8.490 7.336 ( 6.779 0.000 2.400) 7.192 7.419 ( 0.961 0.000 -9.847) 9.894 7.445 ( 4.622 0.000 11.770) 12.645 7.506 ( 3.161 0.000 -9.029) 9.566 7.566 ( -3.851 0.000 -3.066) 4.923 7.655 ( 1.870 0.000 5.127) 5.457 7.689 ( -0.291 0.000 -1.524) 1.551 7.700 ( 2.714 0.000 6.240) 6.805 7.847 ( -9.242 0.000 -5.795) 10.909 7.900 ( 3.462 0.000 -4.250) 5.481 7.983 ( -0.837 0.000 10.121) 10.156 8.106 ( 5.150 0.000 2.348) 5.659 8.190 ( -0.916 0.000 2.665) 2.818 8.223 ( 2.057 0.000 2.943) 3.591 8.230 ( 3.563 0.000 1.514) 3.871 8.451 ( 9.198 0.000 -1.709) 9.356 8.672 ( 9.792 0.000 2.444) 10.092 8.767 ( 2.673 0.000 -1.050) 2.872 8.838 ( -4.881 0.000 -0.661) 4.926 8.893 ( -5.231 0.000 1.087) 5.343 8.981 ( 4.223 0.000 3.452) 5.454 9.034 ( -6.680 0.000 3.576) 7.577 9.062 ( -5.386 0.000 -2.967) 6.149 9.091 ( 7.210 0.000 3.844) 8.170 9.324 ( 0.677 0.000 3.496) 3.561 9.341 ( 4.106 0.000 3.231) 5.225 9.428 ( 3.199 0.000 -1.524) 3.544 9.575 ( 1.607 0.000 -2.993) 3.397 9.705 ( 0.136 0.000 -2.665) 2.668 9.874 ( 1.116 0.000 1.543) 1.904 9.904 ( 1.374 0.000 8.242) 8.356 10.024 ( -0.366 0.000 -4.547) 4.562 10.024 ( 1.050 0.000 -4.656) 4.773 10.128 ( 0.678 0.000 -1.198) 1.376 10.189 ( 3.179 0.000 -0.089) 3.180 10.245 ( 1.185 0.000 -1.005) 1.554 10.283 ( -9.918 0.000 2.534) 10.236 10.440 ( -0.255 0.000 1.810) 1.828 10.533 ( -0.960 0.000 -1.120) 1.475 10.624 ( -1.311 0.000 -2.775) 3.069 10.928 ( 0.756 0.000 4.748) 4.808 10.945 ( -4.428 0.000 -0.685) 4.481 11.088 ( 2.619 0.000 -3.499) 4.370 11.141 ( 4.402 0.000 7.529) 8.721 11.401 ( 7.681 0.000 -2.051) 7.950 11.563 ( 5.015 0.000 -7.034) 8.639 11.721 ( 8.384 0.000 0.053) 8.384 11.747 ( 1.068 0.000 2.312) 2.546 11.794 ( 1.972 0.000 4.378) 4.801 11.857 ( 16.078 0.000 12.499) 20.365 12.064 ( 2.872 0.000 12.724) 13.044 12.097 ( 3.460 0.000 -1.786) 3.894 12.479 ( 0.016 0.000 -5.293) 5.293 12.507 ( 5.520 0.000 0.361) 5.532 12.785 ( -1.619 0.000 -5.619) 5.848 12.820 ( 0.593 0.000 -1.227) 1.363 13.088 ( 5.649 0.000 0.303) 5.657 13.232 ( -9.835 0.000 -3.629) 10.484 13.328 ( -0.034 0.000 -2.555) 2.555 13.448 ( 1.422 0.000 1.337) 1.952 13.519 ( -12.413 0.000 1.033) 12.456 13.579 ( -10.703 0.000 -7.200) 12.899 14.024 ( -3.437 0.000 5.186) 6.222 14.039 ( -4.813 0.000 -1.591) 5.069 14.095 ( -13.055 0.000 -3.294) 13.464 14.227 ( 3.966 0.000 0.876) 4.061 14.230 ( -4.702 0.000 3.640) 5.947 14.334 ( -12.870 0.000 2.164) 13.051 14.461 ( -26.978 0.000 -23.857) 36.013 14.700 ( -8.938 0.000 -4.409) 9.966 15.126 ( 2.053 0.000 -2.394) 3.153 15.174 ( -3.357 0.000 2.673) 4.292 15.235 ( -1.623 0.000 3.577) 3.928 15.300 ( -5.627 0.000 4.767) 7.375 15.565 ( -4.501 0.000 2.573) 5.184 15.611 ( 2.429 0.000 -1.637) 2.929 15.963 ( -0.879 0.000 -3.187) 3.306 16.130 ( -0.868 0.000 -2.217) 2.381 16.189 ( -1.860 0.000 -1.494) 2.385 16.233 ( 0.673 0.000 -3.380) 3.446 16.414 ( 3.564 0.000 6.054) 7.025 16.540 ( 4.174 0.000 -0.664) 4.226 16.677 ( -1.656 0.000 2.441) 2.949 16.876 ( -2.000 0.000 -2.967) 3.578 17.353 ( 2.168 0.000 -1.539) 2.659 17.446 ( -1.799 0.000 1.243) 2.187 17.505 ( -1.286 0.000 0.028) 1.286 17.816 ( -3.242 0.000 -6.690) 7.434 19.086 ( 7.597 0.000 1.413) 7.727 19.205 ( 9.282 0.000 -1.158) 9.354 19.267 ( 8.216 0.000 -0.262) 8.220 19.273 ( 6.665 0.000 0.527) 6.685 24.961 ( 3.033 0.000 1.035) 3.205 25.178 ( -0.035 0.000 -5.394) 5.394 25.305 ( -12.087 0.000 2.138) 12.274 25.639 ( -27.021 0.000 -21.325) 34.422 26.894 ( 0.767 0.000 -0.958) 1.227 26.903 ( 1.705 0.000 -0.387) 1.748 26.950 ( 1.458 0.000 0.974) 1.754 27.031 ( -0.311 0.000 0.280) 0.419 27.592 ( -0.825 0.000 1.216) 1.469 27.654 ( -0.416 0.000 -1.326) 1.390 28.121 ( -2.567 0.000 0.203) 2.575 28.216 ( -1.803 0.000 -4.912) 5.233 28.510 ( 1.533 0.000 8.461) 8.599 28.611 ( -3.443 0.000 7.935) 8.650 28.671 ( -3.472 0.000 0.293) 3.484 28.832 ( -6.119 0.000 0.063) 6.119 29.009 ( -4.478 0.000 -2.333) 5.049 29.127 ( -4.148 0.000 -6.074) 7.355 29.728 ( 13.995 0.000 18.114) 22.891 29.796 ( 7.140 0.000 -1.160) 7.234 29.957 ( 5.828 0.000 -5.545) 8.044 30.157 ( 1.753 0.000 -3.472) 3.889 30.255 ( 1.392 0.000 -5.455) 5.629 30.357 ( 0.248 0.000 0.833) 0.869 30.593 ( -8.924 0.000 -6.270) 10.906 30.676 ( 1.616 0.000 -2.461) 2.944 30.805 ( 5.000 0.000 15.866) 16.635 31.039 ( 19.695 0.000 11.131) 22.623 ======================= Grid point 42 (20/54) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 1.701 23.640 23.720) 33.531 1.083 ( 9.610 26.394 26.676) 38.738 1.880 ( 0.234 49.960 40.798) 64.503 2.427 ( -10.603 -5.948 -6.746) 13.903 2.578 ( 9.634 -17.030 -10.587) 22.247 2.769 ( -4.244 -3.013 -0.383) 5.219 2.797 ( -2.433 -0.547 -4.888) 5.487 2.887 ( 2.257 -2.366 5.651) 6.529 2.947 ( -0.611 4.989 -9.904) 11.106 3.191 ( 1.999 -0.521 -4.154) 4.639 3.345 ( -0.464 2.005 -3.218) 3.820 3.452 ( 0.551 1.506 -1.049) 1.916 3.550 ( 3.111 -1.217 0.873) 3.453 3.603 ( -2.274 6.295 -2.885) 7.289 3.746 ( 3.671 6.379 3.545) 8.170 3.792 ( 6.216 1.817 3.209) 7.228 3.881 ( 6.823 7.084 3.345) 10.388 3.968 ( -2.869 0.108 1.079) 3.067 4.026 ( -3.537 2.715 -2.457) 5.091 4.112 ( 2.628 -0.735 -0.304) 2.746 4.164 ( -6.628 5.044 -1.660) 8.493 4.226 ( -6.888 -1.206 -3.381) 7.767 4.336 ( 3.110 2.576 4.662) 6.168 4.373 ( -3.172 2.696 0.283) 4.173 4.475 ( -1.863 -0.310 3.455) 3.938 4.540 ( -6.925 -1.471 7.806) 10.538 4.643 ( 4.690 3.978 -0.987) 6.229 4.705 ( -0.100 -1.463 5.009) 5.220 4.769 ( -5.013 4.141 -2.193) 6.862 4.846 ( 1.900 2.299 0.955) 3.131 4.907 ( -1.017 -5.274 -1.838) 5.677 4.957 ( -2.055 3.772 0.977) 4.405 5.036 ( 2.198 -2.715 -1.642) 3.860 5.054 ( 1.378 -6.966 -1.558) 7.269 5.106 ( -3.803 1.040 1.922) 4.386 5.191 ( 3.865 -1.651 -3.367) 5.385 5.239 ( -1.956 0.712 -7.248) 7.541 5.345 ( 1.800 -3.311 3.142) 4.906 5.376 ( 2.205 -5.383 -1.345) 5.970 5.478 ( -3.064 -2.253 -3.875) 5.430 5.548 ( 1.191 0.228 1.022) 1.586 5.612 ( 2.730 2.668 4.314) 5.760 5.740 ( 3.038 -0.543 0.939) 3.226 5.758 ( -2.519 -1.182 -4.629) 5.401 5.826 ( -1.883 6.257 -11.464) 13.196 5.914 ( -3.665 -3.344 0.615) 4.999 6.058 ( 2.796 8.057 -6.890) 10.964 6.077 ( 2.144 3.920 -1.082) 4.597 6.155 ( -1.937 -0.167 -3.902) 4.360 6.282 ( 1.933 5.435 2.596) 6.326 6.357 ( -2.683 6.226 -1.845) 7.026 6.466 ( 0.990 6.289 -8.490) 10.612 6.705 ( 8.001 -3.652 -0.912) 8.842 6.728 ( 0.512 -3.638 0.982) 3.803 6.856 ( 5.026 -0.251 1.547) 5.265 6.892 ( -3.220 -3.592 -0.148) 4.826 6.950 ( -3.087 0.116 0.357) 3.109 7.005 ( 0.213 -6.999 -0.982) 7.071 7.125 ( -7.003 -12.253 -5.022) 14.981 7.227 ( -2.896 -7.425 2.206) 8.270 7.274 ( 3.952 -3.740 6.236) 8.277 7.373 ( 1.540 -3.193 -2.823) 4.532 7.431 ( 1.110 -0.865 -6.895) 7.037 7.446 ( 0.904 1.218 1.969) 2.486 7.599 ( -1.590 -1.405 -0.030) 2.122 7.609 ( -3.825 -0.542 -0.787) 3.942 7.687 ( -3.949 3.590 -11.540) 12.714 7.735 ( 2.489 3.850 0.742) 4.644 7.813 ( -1.258 2.373 5.290) 5.933 7.956 ( -1.466 1.561 4.745) 5.206 8.002 ( 2.391 -2.272 -1.409) 3.586 8.118 ( -1.354 1.398 2.745) 3.365 8.198 ( 1.933 -0.360 6.746) 7.027 8.261 ( -0.704 0.971 -1.658) 2.046 8.283 ( 1.543 1.079 2.569) 3.186 8.461 ( -1.784 -4.063 5.734) 7.250 8.690 ( -6.317 -9.235 6.448) 12.914 8.724 ( -1.464 -1.919 -3.478) 4.234 8.807 ( -0.236 -1.263 -1.112) 1.699 8.833 ( 1.436 -0.344 0.285) 1.504 8.961 ( 2.071 2.316 2.770) 4.162 9.030 ( -2.150 3.462 -1.016) 4.200 9.118 ( 3.885 -7.236 4.288) 9.265 9.243 ( 4.008 -0.939 -2.399) 4.764 9.294 ( 8.007 -1.882 5.321) 9.797 9.333 ( -2.488 -1.484 1.309) 3.179 9.374 ( 1.256 -5.490 3.271) 6.512 9.507 ( -8.813 -0.556 7.086) 11.322 9.627 ( -0.449 5.030 -3.852) 6.351 9.845 ( -1.010 -4.681 0.006) 4.789 9.888 ( 1.534 -2.379 -0.231) 2.840 10.030 ( -1.160 2.733 0.464) 3.005 10.109 ( 1.045 -1.621 3.860) 4.316 10.189 ( 0.977 3.564 0.415) 3.719 10.254 ( 2.605 -1.236 -0.378) 2.908 10.315 ( 1.512 0.264 1.343) 2.039 10.403 ( 0.459 8.887 -7.834) 11.855 10.475 ( 2.243 0.156 -4.143) 4.714 10.573 ( 1.172 0.905 -3.096) 3.431 10.772 ( 2.507 13.167 -12.717) 18.476 10.817 ( -3.499 -3.057 -1.229) 4.806 10.990 ( -1.016 0.760 9.973) 10.053 11.011 ( -5.336 2.540 -2.383) 6.372 11.153 ( -0.353 -2.619 8.082) 8.503 11.526 ( 1.950 -1.767 -1.473) 3.016 11.631 ( -1.944 0.776 -7.124) 7.425 11.701 ( 0.608 -2.003 3.260) 3.874 11.820 ( 1.763 -2.702 -0.709) 3.303 11.896 ( -1.978 1.000 -0.557) 2.285 11.958 ( -4.654 -0.132 7.757) 9.047 12.069 ( -1.549 -1.628 -2.288) 3.206 12.213 ( 2.243 -8.881 9.509) 13.203 12.463 ( 1.961 1.984 -6.226) 6.823 12.578 ( -10.824 -0.494 -7.411) 13.127 12.801 ( 0.849 -1.903 0.788) 2.228 12.921 ( 9.571 -6.000 1.496) 11.395 13.063 ( -0.024 2.081 -0.445) 2.128 13.181 ( 0.888 -1.240 -2.676) 3.080 13.267 ( 19.357 3.821 -1.211) 19.768 13.364 ( -1.318 1.117 -1.338) 2.185 13.412 ( -8.437 4.707 -0.274) 9.666 13.508 ( -0.704 2.291 -1.923) 3.072 13.861 ( -4.739 1.301 -1.960) 5.291 13.892 ( 2.368 -4.591 -1.405) 5.353 13.987 ( 4.546 0.543 4.041) 6.107 14.127 ( 4.604 0.197 4.857) 6.695 14.208 ( -0.316 1.211 2.564) 2.853 14.360 ( -2.343 3.369 0.980) 4.219 14.368 ( 0.368 3.850 -2.612) 4.667 14.682 ( -3.961 8.359 -12.409) 15.478 15.093 ( -1.157 -1.773 0.814) 2.268 15.213 ( 5.171 -1.889 1.703) 5.762 15.227 ( -1.040 0.654 3.383) 3.599 15.278 ( 8.624 -4.091 4.197) 10.428 15.561 ( 3.335 2.838 -2.582) 5.084 15.662 ( 0.530 1.317 -0.992) 1.732 15.863 ( -4.172 -7.821 -0.571) 8.882 15.934 ( -1.477 -6.256 -3.703) 7.418 16.219 ( -0.594 4.789 0.953) 4.918 16.293 ( 3.422 3.619 -2.596) 5.617 16.521 ( 1.575 0.550 2.343) 2.876 16.591 ( -3.999 -4.656 1.002) 6.219 16.644 ( 3.129 3.286 1.057) 4.659 16.740 ( -6.201 -0.599 1.575) 6.426 17.407 ( -2.668 0.211 0.245) 2.688 17.433 ( 4.142 0.531 -0.187) 4.180 17.491 ( -0.951 0.669 0.215) 1.182 17.557 ( -7.979 -1.770 -0.244) 8.177 19.179 ( -0.012 1.153 1.340) 1.768 19.303 ( 0.222 -3.189 1.900) 3.719 19.315 ( 0.087 0.229 -1.386) 1.408 19.352 ( 0.139 -0.571 -0.220) 0.628 25.038 ( 0.095 1.563 1.005) 1.861 25.128 ( -1.911 0.884 -1.150) 2.399 25.149 ( 1.216 -0.293 0.583) 1.380 25.222 ( 0.478 -0.838 -1.064) 1.436 26.901 ( 0.282 -0.936 -0.323) 1.030 26.931 ( 0.590 0.433 -1.339) 1.526 26.968 ( -1.496 -2.053 0.551) 2.599 27.122 ( 2.875 1.471 -7.675) 8.327 27.741 ( -0.069 11.094 -0.538) 11.108 27.813 ( -0.499 13.381 -3.691) 13.890 28.092 ( -0.169 -0.665 0.463) 0.828 28.144 ( -1.115 -0.653 -1.436) 1.931 28.452 ( 0.084 -3.381 9.836) 10.402 28.482 ( -0.986 -1.379 8.793) 8.955 28.792 ( 0.372 0.984 -0.376) 1.117 28.905 ( 1.342 10.760 -8.032) 13.494 28.931 ( -0.049 -1.770 -2.063) 2.719 29.103 ( 1.630 0.361 -4.532) 4.830 29.799 ( -0.029 1.829 -7.683) 7.898 29.940 ( -1.410 -4.211 -6.212) 7.636 30.079 ( -9.341 3.514 -0.345) 9.987 30.201 ( 1.198 -0.004 0.087) 1.201 30.272 ( -4.423 -0.722 -1.180) 4.634 30.297 ( -2.144 -0.176 -3.925) 4.476 30.371 ( 5.867 1.227 0.322) 6.003 30.608 ( -1.075 -5.024 -3.268) 6.089 30.865 ( -0.939 0.708 14.074) 14.123 31.249 ( 9.918 -19.192 14.586) 26.067 ======================= Grid point 43 (21/54) ======================= q-point: ( 0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 21.496 20.385 15.317) 33.350 1.435 ( 19.974 23.805 23.855) 39.175 2.274 ( 2.603 1.867 -5.468) 6.338 2.325 ( 33.509 27.062 27.391) 51.044 2.670 ( -0.248 -8.910 -9.490) 13.020 2.711 ( 0.523 -4.678 -2.296) 5.238 2.882 ( -0.213 -5.030 -1.877) 5.373 2.956 ( 8.329 1.670 -2.341) 8.812 3.104 ( 11.919 -4.027 1.063) 12.626 3.232 ( -6.461 4.742 -3.623) 8.795 3.293 ( 5.989 0.466 -0.422) 6.021 3.459 ( 0.677 2.264 -1.065) 2.592 3.505 ( -2.919 0.817 -0.752) 3.123 3.683 ( 4.278 4.593 -0.740) 6.321 3.816 ( -2.425 9.550 -3.623) 10.498 3.858 ( 2.620 2.713 8.789) 9.564 3.921 ( 3.093 5.880 -2.625) 7.144 4.016 ( 6.549 -0.878 -11.468) 13.236 4.064 ( 9.264 -2.092 2.942) 9.943 4.105 ( 3.139 1.408 -2.004) 3.981 4.153 ( -0.763 -2.689 1.399) 3.126 4.214 ( 5.228 -3.498 -3.283) 7.095 4.316 ( 0.988 3.436 -0.576) 3.622 4.374 ( -4.703 -1.931 8.365) 9.789 4.454 ( -3.236 0.748 1.344) 3.583 4.492 ( 4.962 2.341 4.301) 6.971 4.577 ( -2.348 4.365 1.203) 5.101 4.686 ( -13.212 4.078 4.323) 14.487 4.770 ( 3.750 4.306 -1.922) 6.024 4.830 ( 2.532 1.489 4.804) 5.631 4.943 ( -0.445 -1.194 -2.254) 2.589 5.035 ( 6.870 -4.413 -3.070) 8.723 5.040 ( -0.552 4.627 -2.144) 5.129 5.082 ( 5.048 1.339 -1.101) 5.338 5.131 ( -2.110 0.502 -0.374) 2.201 5.192 ( 4.693 -2.047 -1.860) 5.447 5.216 ( 0.533 1.831 -2.651) 3.266 5.358 ( -1.494 -0.665 4.055) 4.372 5.417 ( -2.505 -7.432 0.843) 7.888 5.455 ( 4.052 -1.251 2.992) 5.190 5.518 ( 0.322 -4.049 5.240) 6.630 5.615 ( -1.101 2.014 -4.181) 4.769 5.669 ( -1.716 0.179 -5.999) 6.242 5.791 ( -1.402 2.578 4.995) 5.793 5.834 ( 0.524 5.489 -2.719) 6.148 5.927 ( 5.360 0.506 -1.367) 5.555 5.986 ( -3.047 1.056 -6.358) 7.129 6.139 ( -0.524 -0.895 -10.108) 10.161 6.173 ( 2.885 0.739 -1.151) 3.193 6.233 ( -5.419 3.488 -0.129) 6.446 6.264 ( -2.226 4.365 3.478) 6.009 6.491 ( 2.179 4.197 -5.368) 7.154 6.676 ( -10.728 0.895 -0.739) 10.790 6.764 ( -2.645 -10.204 -2.669) 10.874 6.828 ( -4.477 -5.393 0.185) 7.012 6.865 ( -6.866 2.764 -2.894) 7.948 6.899 ( -3.380 -7.231 -1.319) 8.090 6.956 ( -2.785 -4.837 -3.288) 6.478 7.053 ( -5.707 -6.808 5.196) 10.292 7.143 ( 6.620 1.222 5.854) 8.921 7.252 ( -4.592 -7.232 3.720) 9.339 7.322 ( -1.592 -3.018 -3.961) 5.228 7.419 ( -3.697 0.063 2.215) 4.310 7.498 ( -4.227 1.601 -3.496) 5.714 7.622 ( 7.251 -1.165 2.966) 7.920 7.632 ( -0.793 -3.698 -9.685) 10.397 7.652 ( 4.742 1.062 -1.893) 5.216 7.724 ( -4.053 2.824 1.763) 5.245 7.792 ( -2.803 1.444 5.983) 6.763 7.882 ( -5.430 1.958 0.394) 5.786 8.008 ( -1.654 -1.138 -2.180) 2.964 8.083 ( -2.737 2.408 5.576) 6.662 8.169 ( -3.368 1.880 -0.215) 3.863 8.240 ( -0.819 0.888 0.435) 1.284 8.342 ( 2.517 -2.189 4.463) 5.572 8.429 ( -0.070 -0.058 7.412) 7.413 8.608 ( -1.971 -6.364 5.702) 8.769 8.688 ( -4.844 -6.738 -1.782) 8.488 8.730 ( -4.559 0.249 -0.980) 4.670 8.822 ( -1.162 -0.376 -2.209) 2.524 8.965 ( -1.985 0.265 -4.125) 4.585 9.034 ( 3.194 4.800 0.780) 5.818 9.181 ( -0.915 -2.545 2.948) 4.001 9.207 ( -3.527 -3.328 2.490) 5.452 9.271 ( 0.172 -2.161 -0.196) 2.177 9.348 ( -1.985 0.447 0.675) 2.144 9.401 ( 0.189 1.028 4.733) 4.847 9.497 ( 3.258 -5.704 -0.936) 6.635 9.650 ( 1.964 6.544 -1.582) 7.014 9.815 ( -1.916 -1.767 1.240) 2.886 9.931 ( 1.907 -2.941 -1.684) 3.888 10.006 ( 0.541 2.686 1.715) 3.232 10.112 ( 0.178 -1.414 1.898) 2.373 10.238 ( 0.976 1.870 2.166) 3.024 10.239 ( -3.320 3.024 -1.022) 4.605 10.290 ( -1.939 -2.304 0.728) 3.098 10.430 ( 2.993 9.651 -3.765) 10.784 10.566 ( -0.836 2.144 -3.265) 3.995 10.592 ( 6.678 -2.329 -1.142) 7.164 10.695 ( -5.341 1.867 0.527) 5.683 10.766 ( -3.848 -3.654 -0.346) 5.318 10.901 ( 0.215 4.681 -1.260) 4.852 11.025 ( -1.565 -1.501 0.956) 2.369 11.120 ( -1.583 1.017 3.782) 4.225 11.481 ( -2.387 2.327 0.413) 3.359 11.550 ( -2.829 1.572 -5.102) 6.042 11.663 ( -6.574 -1.076 -0.118) 6.662 11.714 ( -5.968 -0.414 0.290) 5.989 11.783 ( -4.832 0.089 5.088) 7.018 11.881 ( -5.960 -1.241 6.438) 8.861 12.028 ( -3.238 1.476 -1.785) 3.981 12.120 ( -5.874 0.369 4.441) 7.373 12.420 ( -3.436 -1.375 -2.727) 4.597 12.552 ( 1.490 -1.110 -7.890) 8.106 12.874 ( 5.028 -0.663 2.615) 5.706 12.946 ( -0.529 -3.084 -1.705) 3.564 13.075 ( -7.598 4.886 -2.234) 9.306 13.104 ( -4.840 3.261 -1.549) 6.038 13.368 ( 4.619 1.282 -0.768) 4.854 13.400 ( -0.421 -2.172 -4.885) 5.363 13.530 ( 13.088 -3.365 1.560) 13.604 13.724 ( 11.985 -2.310 2.155) 12.394 13.856 ( 0.179 0.856 -2.466) 2.617 14.053 ( 12.665 -2.967 -2.707) 13.287 14.124 ( 6.709 0.392 3.704) 7.673 14.214 ( 4.170 1.377 1.740) 4.724 14.259 ( -3.805 1.767 -1.792) 4.562 14.332 ( 11.052 1.037 4.832) 12.107 14.554 ( 14.096 -5.692 -1.321) 15.259 14.762 ( 10.976 2.845 -11.330) 16.030 15.076 ( 0.299 -0.003 -1.843) 1.867 15.221 ( 0.694 0.202 1.178) 1.382 15.328 ( 6.057 -1.749 5.858) 8.606 15.414 ( 1.994 -4.708 3.515) 6.205 15.649 ( -1.242 0.964 0.075) 1.573 15.747 ( 7.593 -6.975 -9.931) 14.315 15.810 ( 1.391 -6.962 2.303) 7.464 15.937 ( 1.192 -5.172 -1.329) 5.471 16.191 ( -1.661 2.077 -0.501) 2.706 16.373 ( -1.203 5.753 -5.244) 7.876 16.439 ( -2.652 -1.379 4.424) 5.339 16.540 ( 0.402 2.068 2.901) 3.586 16.663 ( -0.046 4.070 -1.162) 4.233 16.764 ( 5.932 0.166 -0.230) 5.939 17.326 ( -3.499 1.132 -0.828) 3.770 17.442 ( -1.149 -1.641 2.191) 2.969 17.530 ( 2.489 2.029 -1.005) 3.364 17.544 ( 4.961 1.043 -1.685) 5.343 19.099 ( -7.650 1.253 1.207) 7.846 19.206 ( -9.151 -0.676 -0.130) 9.177 19.250 ( -5.548 -1.412 -0.376) 5.737 19.267 ( -8.242 -0.660 -0.195) 8.271 24.996 ( -2.123 2.782 1.178) 3.692 25.146 ( 0.570 0.472 -4.043) 4.110 25.253 ( 8.748 -3.363 1.151) 9.443 25.457 ( 18.468 -11.194 -4.591) 22.078 26.895 ( -0.538 -0.864 0.019) 1.018 26.933 ( -0.903 1.848 -0.160) 2.063 26.955 ( 0.425 -2.021 -1.309) 2.445 27.148 ( -0.044 1.509 -6.164) 6.347 27.736 ( -0.160 11.633 -0.687) 11.654 27.814 ( 0.682 13.587 -2.442) 13.822 28.117 ( 2.460 -0.735 0.518) 2.619 28.171 ( 2.996 1.549 -0.414) 3.399 28.443 ( -0.326 -0.447 8.289) 8.308 28.529 ( 4.370 -4.579 7.415) 9.749 28.832 ( 3.711 1.374 -0.919) 4.062 28.945 ( 3.023 7.598 -5.218) 9.701 28.982 ( 4.608 0.927 -4.699) 6.646 29.177 ( 6.074 -0.866 -3.146) 6.895 29.609 ( -17.965 9.631 9.481) 22.481 29.803 ( -4.655 -1.967 -3.542) 6.171 29.881 ( -7.716 -1.132 -6.084) 9.891 30.162 ( -5.489 -1.994 0.593) 5.870 30.231 ( 1.749 0.354 1.697) 2.463 30.324 ( -0.457 -1.665 -5.180) 5.460 30.531 ( 5.080 -1.460 0.619) 5.322 30.587 ( 0.710 -1.156 -2.288) 2.660 30.778 ( -7.605 1.158 10.047) 12.654 31.232 ( -8.023 -14.735 8.845) 18.966 ======================= Grid point 44 (22/54) ======================= q-point: ( 0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 23.088 14.005 6.697) 27.822 1.905 ( 26.937 18.531 15.256) 36.080 2.314 ( 3.765 -1.393 -1.283) 4.214 2.564 ( -4.618 0.432 3.428) 5.767 2.651 ( -9.902 -3.784 2.390) 10.866 2.814 ( 3.536 -2.814 -9.111) 10.170 3.017 ( -1.203 0.278 -6.740) 6.852 3.110 ( 4.817 2.368 0.028) 5.368 3.209 ( 18.636 14.669 7.397) 24.844 3.279 ( 4.016 -4.895 -1.670) 6.548 3.393 ( 10.562 5.856 5.251) 13.169 3.490 ( 2.026 -4.642 -3.186) 5.984 3.523 ( 3.804 3.362 0.448) 5.096 3.718 ( -6.158 6.597 -16.382) 18.704 3.812 ( 4.404 3.286 -4.609) 7.172 3.854 ( 1.667 0.045 4.117) 4.442 3.943 ( 3.324 -5.933 7.044) 9.791 4.041 ( -8.529 -2.635 -0.125) 8.927 4.145 ( 2.742 2.568 -10.271) 10.936 4.241 ( 7.917 -2.754 0.537) 8.399 4.259 ( 0.266 -1.445 -0.836) 1.691 4.273 ( 1.986 1.499 -2.011) 3.199 4.308 ( -3.829 1.827 2.294) 4.823 4.401 ( 1.361 -0.182 1.304) 1.894 4.520 ( 6.970 2.552 2.256) 7.758 4.557 ( 4.504 10.187 2.576) 11.432 4.576 ( 7.044 3.977 6.360) 10.290 4.638 ( 13.429 5.314 0.188) 14.443 4.735 ( -4.018 1.689 2.765) 5.162 4.876 ( -0.627 -2.639 2.719) 3.840 4.899 ( 0.773 5.919 1.898) 6.264 4.991 ( -1.511 -3.039 1.880) 3.880 5.084 ( -3.164 0.207 -0.400) 3.196 5.119 ( 0.036 2.542 -0.639) 2.621 5.182 ( 3.885 3.700 -2.954) 6.124 5.285 ( 6.134 -4.414 1.459) 7.697 5.313 ( 6.034 2.105 -1.452) 6.554 5.353 ( 1.255 -5.376 3.714) 6.654 5.453 ( 6.591 -0.595 3.380) 7.431 5.501 ( -1.715 1.093 2.963) 3.594 5.574 ( 2.769 0.362 0.252) 2.804 5.609 ( -4.458 2.911 1.917) 5.659 5.676 ( 3.016 2.973 1.354) 4.446 5.734 ( 5.199 2.444 3.690) 6.828 5.909 ( -0.981 2.132 0.790) 2.476 5.939 ( 2.643 1.043 -3.268) 4.331 6.001 ( -3.429 -3.541 -1.654) 5.199 6.094 ( 1.022 3.769 -7.273) 8.255 6.171 ( 1.632 -1.056 0.583) 2.029 6.230 ( -0.385 -3.659 0.377) 3.698 6.307 ( 6.906 -0.980 -4.826) 8.482 6.335 ( -16.303 2.901 2.178) 16.701 6.541 ( -3.313 -1.832 -6.772) 7.758 6.581 ( -10.356 0.848 2.331) 10.649 6.688 ( -2.269 -2.026 -1.883) 3.578 6.757 ( -0.028 -4.961 -7.178) 8.725 6.848 ( -5.749 -7.573 -3.426) 10.107 6.942 ( -2.344 -9.393 2.118) 9.910 7.025 ( 1.213 -5.051 -0.925) 5.276 7.135 ( -5.724 -4.262 5.838) 9.220 7.238 ( -2.364 -0.177 -1.395) 2.751 7.285 ( -4.088 -4.972 4.897) 8.088 7.343 ( -9.506 1.865 2.884) 10.107 7.368 ( -1.659 -0.242 0.983) 1.944 7.545 ( -10.147 0.650 2.795) 10.545 7.586 ( -3.667 -2.987 -3.214) 5.718 7.654 ( -3.062 1.899 -2.479) 4.373 7.716 ( -2.038 -2.259 -1.192) 3.268 7.766 ( -5.975 2.711 -0.126) 6.562 7.830 ( 5.678 -4.961 3.125) 8.162 7.970 ( -0.671 1.556 -1.703) 2.403 8.043 ( -1.040 2.247 5.679) 6.196 8.098 ( -3.346 2.315 -1.289) 4.268 8.243 ( 1.634 2.754 -3.609) 4.825 8.366 ( 0.446 -0.307 3.636) 3.676 8.461 ( -0.246 1.486 1.293) 1.985 8.532 ( -6.484 -4.910 -2.790) 8.599 8.581 ( -1.939 -4.987 2.960) 6.115 8.703 ( 1.150 -0.574 1.285) 1.817 8.807 ( -0.760 0.130 -2.332) 2.457 8.914 ( -2.930 -6.637 -0.704) 7.289 9.034 ( -6.261 -3.455 1.120) 7.238 9.090 ( -1.423 -0.292 -0.049) 1.454 9.215 ( 1.900 2.331 -1.387) 3.312 9.283 ( -0.076 1.681 0.452) 1.742 9.355 ( 2.493 5.334 -0.796) 5.942 9.434 ( 1.222 0.107 3.750) 3.945 9.518 ( 0.572 -1.871 -2.987) 3.570 9.675 ( 0.653 5.519 1.955) 5.891 9.783 ( -0.404 0.437 -0.241) 0.642 9.952 ( 0.096 -2.489 0.168) 2.496 10.021 ( -0.613 -0.766 1.065) 1.448 10.081 ( -4.491 -0.637 -0.430) 4.556 10.187 ( 1.725 1.980 3.359) 4.264 10.261 ( 0.430 1.263 -0.799) 1.555 10.294 ( 1.614 1.555 1.374) 2.629 10.486 ( 3.238 2.805 2.972) 5.214 10.552 ( 0.278 4.234 -3.125) 5.270 10.637 ( -5.149 -6.063 0.565) 7.974 10.654 ( -0.380 0.480 -0.206) 0.646 10.742 ( 5.449 -2.677 -3.666) 7.092 10.923 ( 0.429 1.631 -3.550) 3.930 10.998 ( 1.124 -2.838 -0.941) 3.194 11.118 ( 1.446 1.860 0.440) 2.397 11.446 ( -8.184 0.169 3.807) 9.027 11.491 ( 1.130 3.705 3.215) 5.034 11.597 ( -3.756 0.920 -2.047) 4.375 11.650 ( 3.456 1.587 -2.264) 4.426 11.716 ( -0.752 -1.026 0.690) 1.447 11.763 ( -6.756 -4.625 4.696) 9.438 11.932 ( -5.583 3.485 -1.899) 6.850 11.996 ( -6.679 1.979 3.769) 7.920 12.336 ( -5.092 -1.322 -3.661) 6.409 12.565 ( 0.140 -4.097 -6.500) 7.685 12.857 ( -8.262 3.966 -1.980) 9.376 12.894 ( -4.224 3.153 2.941) 6.036 12.932 ( -3.601 1.529 -1.530) 4.201 13.104 ( 4.832 -1.144 2.264) 5.458 13.405 ( 2.386 -2.226 -2.865) 4.342 13.507 ( 6.884 0.877 1.981) 7.217 13.633 ( -5.915 -1.581 -1.367) 6.274 13.802 ( 5.117 -2.492 -0.972) 5.774 13.995 ( 4.199 1.078 -0.885) 4.425 14.189 ( -0.220 -1.881 -2.544) 3.171 14.230 ( 10.065 -1.229 1.351) 10.230 14.332 ( 10.940 -2.579 -0.758) 11.265 14.432 ( 15.380 8.433 -0.305) 17.543 14.554 ( 9.922 -1.428 1.272) 10.105 14.797 ( 11.784 -1.125 1.895) 11.988 14.974 ( 8.148 0.963 -5.015) 9.616 15.138 ( 6.246 -0.868 -2.488) 6.779 15.261 ( 3.518 1.070 1.528) 3.982 15.396 ( -0.109 2.189 3.294) 3.957 15.456 ( 3.074 -8.291 5.375) 10.348 15.579 ( -7.004 1.017 3.324) 7.819 15.744 ( -1.448 -2.273 -2.973) 4.013 15.871 ( 1.674 -5.637 -1.668) 6.112 15.937 ( -1.617 -4.081 -0.075) 4.391 16.191 ( -1.585 0.092 -2.446) 2.916 16.243 ( -1.645 -0.965 1.220) 2.264 16.498 ( 1.335 1.643 0.660) 2.218 16.549 ( 0.299 1.881 2.223) 2.928 16.683 ( 1.475 6.362 -1.772) 6.767 16.878 ( 5.293 -0.233 -1.694) 5.562 17.298 ( 0.304 0.952 -2.578) 2.765 17.430 ( -0.688 -1.790 2.745) 3.348 17.571 ( 1.620 1.587 -0.020) 2.268 17.643 ( 4.576 0.034 -4.322) 6.295 18.918 ( -9.772 1.306 0.400) 9.867 19.017 ( -9.099 -1.064 -1.862) 9.348 19.073 ( -10.318 -0.448 0.142) 10.329 19.119 ( -7.068 -1.761 -0.938) 7.344 24.974 ( -0.524 3.720 1.700) 4.124 25.154 ( 0.614 1.904 -4.127) 4.586 25.434 ( 8.840 -7.811 1.909) 11.950 25.768 ( 12.340 -19.676 -5.956) 23.977 26.881 ( -0.943 0.129 1.011) 1.389 26.922 ( 0.106 3.236 -0.497) 3.275 26.961 ( 0.306 -0.447 -1.981) 2.054 27.126 ( -1.706 2.469 -4.157) 5.127 27.742 ( 0.728 12.831 0.067) 12.852 27.832 ( 1.229 14.893 -2.261) 15.114 28.167 ( 2.042 0.537 1.578) 2.636 28.227 ( 2.450 2.514 -0.453) 3.539 28.450 ( 0.508 0.646 8.260) 8.301 28.638 ( 5.965 -5.148 6.220) 10.039 28.929 ( 4.722 1.160 2.032) 5.269 28.977 ( 0.865 10.951 -6.305) 12.666 29.090 ( 6.397 -2.128 -2.229) 7.101 29.327 ( 8.319 -2.653 0.105) 8.733 29.435 ( 1.332 2.793 8.597) 9.137 29.661 ( -9.961 -3.330 -5.134) 11.691 29.713 ( -8.418 0.459 -5.116) 9.861 30.053 ( -6.222 -4.033 3.289) 8.111 30.227 ( -7.527 0.948 -6.223) 9.812 30.266 ( 0.259 -0.003 2.430) 2.444 30.528 ( -7.113 -2.488 7.240) 10.450 30.602 ( 0.791 -2.098 -0.227) 2.254 30.685 ( 0.564 2.690 -0.270) 2.762 31.089 ( -5.346 -8.282 1.699) 10.003 ======================= Grid point 45 (23/54) ======================= q-point: ( 0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 12.596 8.698 -0.479) 15.315 2.307 ( 5.722 7.849 5.875) 11.352 2.341 ( -4.780 6.779 4.974) 9.672 2.532 ( 0.824 5.419 9.859) 11.280 2.590 ( 17.773 2.046 5.406) 18.690 2.865 ( -5.089 0.726 -6.316) 8.144 2.925 ( -1.663 -6.181 -5.258) 8.283 3.137 ( 2.210 3.653 -2.466) 4.931 3.205 ( -11.614 1.705 -6.431) 13.385 3.269 ( -1.064 -0.525 0.125) 1.193 3.421 ( -4.278 -3.471 0.814) 5.568 3.604 ( 2.412 4.693 -14.131) 15.084 3.648 ( 6.620 3.477 -1.844) 7.702 3.751 ( -8.654 0.362 -5.328) 10.169 3.793 ( 4.652 5.065 -1.170) 6.976 3.901 ( 3.278 -2.150 4.940) 6.306 3.974 ( -2.786 2.944 -3.320) 5.239 4.053 ( 6.942 1.221 1.158) 7.143 4.161 ( -2.249 -3.539 -6.005) 7.324 4.242 ( 2.279 -3.755 -1.855) 4.768 4.278 ( -1.772 -0.253 2.874) 3.386 4.330 ( 5.805 -1.649 4.785) 7.701 4.349 ( 6.873 1.672 -2.157) 7.395 4.443 ( 8.035 -1.585 -4.421) 9.307 4.570 ( 0.364 5.048 3.338) 6.062 4.620 ( -3.466 0.481 2.529) 4.317 4.653 ( 4.481 -0.062 6.909) 8.235 4.730 ( -2.057 2.225 -1.731) 3.490 4.849 ( 2.919 5.257 2.501) 6.512 4.908 ( 1.882 2.040 11.817) 12.138 4.937 ( 1.420 3.681 -1.919) 4.388 5.031 ( 2.025 0.477 1.319) 2.464 5.129 ( 4.457 0.524 -2.393) 5.086 5.161 ( 9.090 1.432 4.493) 10.241 5.203 ( -7.186 0.040 -0.859) 7.237 5.253 ( 1.817 6.336 -3.355) 7.396 5.372 ( -5.585 0.832 8.089) 9.864 5.402 ( 0.689 2.668 4.699) 5.448 5.435 ( -10.660 0.841 -0.707) 10.717 5.497 ( -4.194 0.512 3.865) 5.726 5.588 ( -1.144 2.134 3.533) 4.283 5.599 ( 4.579 2.513 -3.418) 6.242 5.687 ( -0.548 2.945 9.316) 9.786 5.771 ( 3.720 5.718 -2.840) 7.389 5.859 ( -0.824 1.589 3.126) 3.602 5.942 ( 4.650 -2.138 1.819) 5.431 6.060 ( 3.477 3.678 -0.394) 5.077 6.083 ( -4.034 1.610 -2.992) 5.275 6.153 ( -2.850 -7.620 1.576) 8.287 6.220 ( 5.822 -2.540 -2.942) 7.000 6.357 ( 5.057 -6.560 -2.184) 8.566 6.429 ( 5.078 4.143 -0.008) 6.554 6.512 ( 3.073 -7.355 -7.894) 11.219 6.527 ( 3.855 3.139 -0.007) 4.971 6.687 ( -0.128 -5.300 -1.934) 5.643 6.764 ( -0.366 -8.337 2.644) 8.754 6.775 ( 1.130 -8.369 -7.341) 11.189 6.844 ( -3.965 1.336 -0.344) 4.198 6.921 ( -8.677 -0.119 0.865) 8.721 7.099 ( -3.513 -3.969 3.664) 6.443 7.115 ( -2.005 -4.846 5.016) 7.257 7.148 ( -7.484 0.507 -2.322) 7.852 7.203 ( -5.571 -1.803 4.406) 7.328 7.312 ( -4.660 -2.586 2.554) 5.910 7.418 ( -1.928 -4.051 0.282) 4.496 7.502 ( -5.406 -4.878 1.533) 7.441 7.608 ( -0.125 2.185 -3.039) 3.745 7.677 ( -0.807 -0.649 0.766) 1.288 7.716 ( 1.350 -1.814 -4.817) 5.322 7.825 ( -3.955 0.931 -0.614) 4.109 7.949 ( -1.207 -0.171 3.484) 3.691 8.011 ( -2.426 1.067 -3.354) 4.275 8.160 ( 7.119 0.520 -0.587) 7.162 8.274 ( 0.846 4.159 -4.174) 5.953 8.353 ( -1.925 -0.551 1.771) 2.674 8.373 ( -4.924 1.075 -2.785) 5.758 8.471 ( -1.284 -1.394 -2.247) 2.940 8.578 ( 0.348 -5.652 -2.083) 6.034 8.752 ( 2.813 -1.294 4.380) 5.364 8.792 ( -1.215 -1.142 0.963) 1.926 8.866 ( -0.652 -3.552 3.141) 4.786 8.937 ( -1.254 -6.912 2.544) 7.471 9.096 ( 1.070 4.081 -2.196) 4.756 9.241 ( 0.215 3.036 -1.858) 3.566 9.264 ( -0.731 2.514 -1.214) 2.886 9.379 ( -1.298 0.419 1.023) 1.705 9.433 ( -0.138 4.657 1.285) 4.833 9.542 ( 1.276 -0.771 -3.251) 3.576 9.701 ( 2.387 2.906 3.401) 5.071 9.791 ( 0.077 1.427 -2.705) 3.059 9.924 ( -2.749 -4.004 2.065) 5.277 9.991 ( -1.293 1.150 4.838) 5.139 10.019 ( -1.777 -0.502 -3.400) 3.870 10.210 ( -0.089 -2.678 7.258) 7.737 10.265 ( -2.662 5.785 -3.571) 7.301 10.354 ( 6.617 0.007 -1.521) 6.790 10.542 ( 1.101 0.641 0.777) 1.492 10.545 ( -3.074 -3.735 -2.740) 5.560 10.577 ( 1.212 1.374 -0.117) 1.835 10.662 ( 2.385 0.911 -2.780) 3.774 10.840 ( 3.810 -1.364 -2.125) 4.571 10.907 ( -1.508 0.204 -2.223) 2.695 11.049 ( 2.215 -3.114 1.240) 4.017 11.185 ( 3.604 0.261 -1.558) 3.934 11.288 ( -7.606 2.576 6.327) 10.223 11.480 ( -4.474 -0.133 -2.240) 5.005 11.505 ( 0.889 2.933 0.560) 3.115 11.600 ( -7.422 -5.786 0.540) 9.426 11.742 ( 0.761 -0.814 4.510) 4.645 11.805 ( 7.433 1.131 1.147) 7.605 11.861 ( -1.079 1.877 -0.245) 2.179 11.905 ( -1.119 2.641 -0.994) 3.035 12.232 ( -4.347 3.022 -5.661) 7.751 12.555 ( -0.875 -1.855 -6.473) 6.790 12.701 ( -5.429 0.713 0.082) 5.476 12.804 ( -3.523 1.124 0.546) 3.738 12.940 ( 3.163 3.159 5.107) 6.787 13.203 ( 2.364 -4.584 1.112) 5.276 13.433 ( 0.487 -0.491 0.266) 0.741 13.467 ( -4.925 0.268 -0.789) 4.995 13.631 ( 2.672 2.403 2.774) 4.540 13.909 ( 3.814 -3.354 -3.737) 6.305 14.016 ( 2.345 -0.297 -4.407) 5.001 14.140 ( -4.463 -1.603 -4.086) 6.260 14.431 ( 6.736 -0.493 1.349) 6.888 14.482 ( 3.304 -0.897 1.196) 3.627 14.689 ( 6.269 0.513 -1.294) 6.421 14.715 ( 8.418 -0.234 -2.041) 8.665 14.981 ( 4.143 4.074 3.808) 6.947 15.087 ( 5.000 -0.980 -0.069) 5.096 15.223 ( 1.080 -1.873 -1.048) 2.403 15.346 ( 0.959 3.926 0.127) 4.044 15.369 ( -2.793 1.273 0.639) 3.135 15.405 ( -5.612 2.333 1.965) 6.387 15.503 ( 2.174 -3.030 6.692) 7.661 15.735 ( 0.559 -4.154 0.547) 4.227 15.866 ( -2.170 -3.466 2.087) 4.590 15.937 ( 1.411 -3.948 -5.362) 6.806 16.127 ( -0.227 3.376 1.277) 3.616 16.311 ( 3.940 -5.666 -1.244) 7.013 16.476 ( -3.201 1.583 0.771) 3.654 16.537 ( -1.992 2.215 -1.274) 3.240 16.709 ( 1.331 6.704 3.242) 7.564 16.954 ( 2.216 -0.524 -1.864) 2.943 17.322 ( 2.164 0.803 -0.765) 2.431 17.402 ( -2.291 -0.802 1.310) 2.758 17.588 ( 0.221 1.576 0.247) 1.610 17.714 ( 2.976 -1.086 -4.480) 5.487 18.770 ( -4.344 1.279 -0.216) 4.534 18.886 ( -3.447 -1.598 -2.145) 4.363 18.919 ( -4.400 0.051 0.266) 4.408 19.006 ( -3.671 -1.896 -1.765) 4.493 24.968 ( -0.264 4.247 1.806) 4.623 25.166 ( 0.672 2.707 -3.805) 4.717 25.567 ( 4.048 -11.626 2.728) 12.609 25.922 ( 3.767 -22.053 -5.301) 22.992 26.862 ( -0.881 2.946 1.042) 3.246 26.928 ( 0.156 3.414 0.392) 3.440 26.973 ( 1.151 -0.012 -2.641) 2.881 27.087 ( -2.021 2.811 -3.695) 5.063 27.756 ( 0.567 13.674 0.632) 13.701 27.856 ( 1.161 16.787 -2.470) 17.007 28.189 ( 0.284 1.064 2.425) 2.663 28.264 ( 1.358 3.168 -1.191) 3.647 28.463 ( 0.334 1.761 9.364) 9.534 28.723 ( 0.848 -3.947 9.463) 10.288 28.942 ( 1.712 4.915 -1.644) 5.458 29.094 ( 7.744 0.516 -3.968) 8.717 29.176 ( -0.306 -1.217 0.581) 1.382 29.435 ( -3.238 -4.097 -1.367) 5.398 29.503 ( -1.150 -0.853 -7.564) 7.698 29.541 ( 1.677 -1.444 -0.389) 2.247 29.615 ( 6.114 1.520 5.297) 8.231 29.930 ( -5.595 -5.112 4.672) 8.903 30.072 ( -5.930 0.963 -3.655) 7.032 30.220 ( -4.782 -2.055 -1.173) 5.335 30.415 ( -2.480 0.186 4.980) 5.567 30.615 ( 0.444 -3.382 0.369) 3.431 30.717 ( 1.494 2.493 -0.562) 2.960 31.023 ( -2.249 -5.254 -2.657) 6.302 ======================= Grid point 46 (24/54) ======================= q-point: (-0.43 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( -11.514 6.284 3.109) 13.480 2.216 ( -5.215 7.261 -0.985) 8.993 2.412 ( -2.881 14.137 9.438) 17.240 2.479 ( -7.611 -0.259 6.874) 10.259 2.654 ( 0.040 4.917 6.345) 8.028 2.887 ( -3.320 -5.813 -4.807) 8.242 2.958 ( -8.046 0.416 -9.571) 12.510 3.059 ( 18.661 -4.703 2.139) 19.363 3.199 ( 3.601 3.021 -0.352) 4.714 3.339 ( -4.971 -2.373 -5.531) 7.806 3.394 ( 8.939 4.035 -5.128) 11.067 3.593 ( -4.666 1.996 -5.053) 7.161 3.693 ( 2.697 3.963 -4.125) 6.325 3.718 ( -0.304 4.505 -2.952) 5.394 3.789 ( -2.130 3.169 -3.782) 5.374 3.865 ( -4.686 0.216 -1.174) 4.835 3.888 ( -3.750 0.736 -0.462) 3.849 4.069 ( -1.033 0.974 -4.228) 4.460 4.193 ( 1.013 -0.555 4.579) 4.722 4.206 ( 4.238 -3.357 -2.831) 6.103 4.298 ( -3.069 5.324 -0.002) 6.145 4.392 ( -7.365 -1.663 1.164) 7.640 4.464 ( -8.986 2.153 2.961) 9.703 4.480 ( -3.373 -3.463 -0.773) 4.895 4.577 ( 5.833 3.675 -6.266) 9.317 4.596 ( -5.808 -0.076 3.580) 6.824 4.649 ( -4.090 -6.739 6.346) 10.120 4.724 ( 0.974 0.835 6.499) 6.625 4.798 ( 0.653 -2.041 3.891) 4.443 4.903 ( -0.892 5.143 4.288) 6.755 4.946 ( -5.850 4.635 -1.086) 7.542 5.019 ( -0.279 1.775 2.125) 2.783 5.054 ( 0.627 3.758 2.736) 4.690 5.123 ( 4.529 -1.650 3.200) 5.786 5.179 ( 1.912 -1.359 -1.859) 2.993 5.255 ( -1.554 8.072 -4.211) 9.236 5.261 ( -2.317 5.726 1.192) 6.291 5.393 ( -0.332 2.546 0.200) 2.575 5.447 ( -3.681 4.258 2.236) 6.056 5.519 ( -4.315 2.649 2.110) 5.485 5.594 ( 1.941 -1.470 1.083) 2.665 5.647 ( 7.624 -0.114 3.590) 8.428 5.711 ( -0.566 1.262 1.286) 1.889 5.760 ( -3.594 3.985 7.514) 9.234 5.859 ( -3.558 -0.106 7.363) 8.178 5.951 ( -8.564 -5.991 -3.994) 11.189 5.969 ( -1.248 1.131 -3.245) 3.656 6.085 ( 1.028 4.251 -2.402) 4.989 6.145 ( 3.769 -5.678 0.826) 6.865 6.303 ( -3.827 -0.904 -0.577) 3.974 6.367 ( -1.059 -1.217 0.828) 1.813 6.431 ( 0.259 -1.433 -2.411) 2.816 6.534 ( -5.279 -7.971 -1.721) 9.714 6.629 ( 7.637 -4.081 -2.426) 8.993 6.733 ( 3.832 -3.619 4.263) 6.779 6.757 ( -0.198 3.342 -3.068) 4.541 6.811 ( 0.981 -5.144 -1.889) 5.568 6.888 ( -1.672 -1.094 0.356) 2.030 6.901 ( 9.517 1.200 -3.385) 10.172 7.065 ( 1.892 -0.937 -0.698) 2.223 7.090 ( 2.837 -3.231 -1.479) 4.547 7.109 ( 4.816 -1.087 4.365) 6.590 7.260 ( 7.004 -1.894 3.664) 8.128 7.304 ( 7.813 -2.971 4.549) 9.516 7.386 ( -3.453 -6.278 2.421) 7.563 7.407 ( 1.318 -1.172 -2.180) 2.804 7.654 ( 4.286 -3.505 -1.283) 5.683 7.710 ( -4.082 -1.621 -3.031) 5.337 7.764 ( 6.252 -3.531 2.874) 7.734 7.780 ( 3.000 1.127 -0.604) 3.261 7.905 ( -3.518 -1.778 -2.768) 4.817 7.991 ( 1.001 0.333 -2.393) 2.615 8.249 ( 1.286 1.883 -2.933) 3.715 8.266 ( -0.952 2.544 1.530) 3.118 8.298 ( -3.040 4.671 -2.616) 6.157 8.323 ( -1.169 -0.090 -0.126) 1.179 8.498 ( 5.087 -2.092 -1.244) 5.640 8.573 ( -0.048 -6.456 -2.561) 6.945 8.791 ( 1.991 -0.603 3.701) 4.245 8.826 ( 3.796 -1.660 0.938) 4.248 8.877 ( 1.533 -4.276 3.642) 5.822 8.943 ( 0.843 -2.126 2.311) 3.252 9.144 ( 2.837 3.473 -2.144) 4.971 9.242 ( -0.288 3.947 -1.608) 4.272 9.253 ( -0.004 0.727 0.013) 0.727 9.350 ( -1.147 -1.801 0.627) 2.225 9.418 ( -1.530 7.053 2.427) 7.614 9.551 ( 0.286 1.539 -3.942) 4.241 9.722 ( -4.467 -7.058 -2.360) 8.680 9.784 ( 2.603 3.126 0.525) 4.102 9.861 ( -2.896 -4.725 2.226) 5.972 9.983 ( -0.471 0.446 1.453) 1.591 10.025 ( 3.321 3.425 1.935) 5.148 10.186 ( -2.492 6.667 -3.634) 7.991 10.215 ( -1.090 -2.120 5.899) 6.362 10.426 ( -7.634 1.298 -1.834) 7.958 10.478 ( 4.203 1.015 -1.610) 4.614 10.567 ( 0.411 -3.205 -1.706) 3.654 10.606 ( 1.286 -2.339 0.009) 2.669 10.721 ( 1.568 -0.242 -1.701) 2.326 10.851 ( -3.803 -0.365 -3.414) 5.123 10.900 ( 2.257 -0.527 0.224) 2.328 11.033 ( -2.714 4.910 -1.548) 5.820 11.177 ( 1.232 -2.636 5.237) 5.991 11.191 ( -4.690 2.655 -0.207) 5.393 11.443 ( -1.549 -5.478 -0.885) 5.762 11.553 ( 8.219 1.098 -0.296) 8.297 11.621 ( 4.465 0.027 1.020) 4.580 11.673 ( -4.774 -1.149 2.778) 5.642 11.859 ( 0.343 -2.120 1.741) 2.765 11.889 ( -0.734 0.111 0.752) 1.056 11.946 ( 4.488 3.843 -0.579) 5.937 12.251 ( 7.366 7.469 -2.950) 10.897 12.513 ( -1.954 3.364 -11.298) 11.949 12.710 ( 5.242 -3.670 4.993) 8.116 12.767 ( -0.405 -1.195 -0.305) 1.298 13.036 ( 5.295 1.874 6.607) 8.672 13.125 ( -6.626 -0.294 -2.134) 6.968 13.429 ( -0.726 -0.812 0.522) 1.208 13.500 ( 3.650 -1.428 -1.003) 4.046 13.639 ( 0.506 2.141 3.164) 3.854 13.927 ( -1.740 -2.062 -0.820) 2.820 14.023 ( -6.724 -0.323 -4.376) 8.028 14.087 ( 2.811 -4.894 -8.110) 9.881 14.441 ( -7.157 -0.005 1.922) 7.411 14.460 ( -3.603 0.419 0.927) 3.744 14.677 ( -7.563 -1.201 -3.407) 8.382 14.786 ( -2.896 -4.496 -1.270) 5.497 14.905 ( -8.284 5.675 4.836) 11.146 15.132 ( -1.145 2.378 3.580) 4.448 15.239 ( -1.804 2.530 -3.057) 4.359 15.303 ( -1.478 1.737 -0.277) 2.298 15.317 ( 1.491 2.302 -0.002) 2.743 15.365 ( -3.517 1.166 -0.489) 3.737 15.524 ( -2.521 -5.413 7.519) 9.602 15.769 ( 1.681 0.917 1.466) 2.412 15.861 ( 2.574 -5.871 1.507) 6.586 15.939 ( 0.513 -3.362 -4.748) 5.841 16.186 ( 3.781 0.297 2.813) 4.722 16.362 ( 1.244 -5.259 -1.672) 5.657 16.386 ( -5.432 2.475 -1.360) 6.122 16.480 ( -2.803 3.757 -0.865) 4.767 16.734 ( 0.728 5.386 3.294) 6.356 16.958 ( -1.391 -0.174 -1.900) 2.361 17.354 ( -1.883 -0.160 -0.883) 2.085 17.379 ( 2.938 -0.771 1.604) 3.435 17.586 ( -0.301 2.504 -0.283) 2.537 17.758 ( 1.656 -1.768 -2.960) 3.825 18.771 ( 4.427 1.379 -0.011) 4.636 18.895 ( 4.256 -1.453 -2.213) 5.012 18.920 ( 4.393 -0.092 0.038) 4.394 18.994 ( 2.697 -2.029 -1.790) 3.820 24.964 ( -0.212 4.424 1.576) 4.701 25.174 ( 0.277 2.319 -3.500) 4.208 25.577 ( -3.244 -12.071 3.209) 12.904 25.914 ( -4.316 -21.681 -5.832) 22.863 26.854 ( 0.007 3.785 0.610) 3.834 26.927 ( -0.135 2.840 0.280) 2.857 26.999 ( 1.454 -0.081 -1.912) 2.403 27.049 ( -1.570 2.813 -3.993) 5.131 27.761 ( -0.146 13.568 0.846) 13.595 27.868 ( -0.014 17.517 -2.565) 17.704 28.187 ( -0.446 0.255 2.192) 2.252 28.277 ( -0.021 3.498 -2.178) 4.121 28.467 ( -0.370 1.504 10.703) 10.815 28.690 ( -3.380 -2.916 9.478) 10.477 28.976 ( -1.473 0.413 -2.439) 2.879 29.074 ( -5.568 0.138 -2.523) 6.115 29.193 ( -2.449 -0.216 -2.335) 3.391 29.337 ( 1.879 2.315 2.259) 3.741 29.455 ( -7.751 -0.334 -4.969) 9.213 29.598 ( 6.405 -4.206 -2.685) 8.119 29.804 ( 2.572 -0.726 1.180) 2.922 29.892 ( 8.793 -2.314 10.653) 14.006 30.045 ( 1.662 -0.918 -4.797) 5.159 30.195 ( 3.793 -3.352 -3.702) 6.271 30.415 ( 2.378 1.272 5.717) 6.321 30.625 ( 0.656 -2.237 -0.473) 2.379 30.725 ( -0.702 0.975 1.480) 1.906 30.974 ( -2.992 -4.535 -4.645) 7.148 ======================= Grid point 47 (25/54) ======================= q-point: (-0.29 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -26.851 10.607 10.618) 30.760 1.871 ( -27.873 15.082 11.069) 33.569 2.297 ( 0.523 -3.240 -3.322) 4.670 2.558 ( 1.539 4.093 3.506) 5.605 2.721 ( 0.608 -1.475 3.565) 3.905 2.808 ( -6.855 6.315 -4.048) 10.162 2.873 ( 3.712 1.927 1.221) 4.357 3.141 ( -7.818 1.236 -6.571) 10.287 3.242 ( -4.716 6.634 -11.192) 13.838 3.294 ( -5.766 1.015 3.778) 6.968 3.325 ( -5.945 0.724 -5.301) 7.997 3.532 ( -6.154 -1.500 4.762) 7.924 3.630 ( -6.361 -2.777 -1.399) 7.080 3.670 ( -0.039 -3.000 -2.577) 3.955 3.757 ( -10.112 -1.394 -3.283) 10.723 3.826 ( 2.669 5.326 5.042) 7.804 3.866 ( -2.420 -0.452 3.063) 3.930 3.987 ( -5.318 4.888 0.222) 7.227 4.087 ( -1.249 0.641 -5.953) 6.116 4.197 ( -5.747 9.319 1.148) 11.009 4.228 ( -2.518 2.918 0.443) 3.880 4.322 ( 3.676 6.406 -7.396) 10.452 4.365 ( 4.055 -3.134 -0.491) 5.149 4.391 ( 2.371 2.023 -2.910) 4.264 4.498 ( -7.204 0.388 8.012) 10.781 4.633 ( 3.431 -3.852 -4.830) 7.067 4.678 ( -6.548 1.129 11.575) 13.347 4.766 ( 2.683 -1.335 0.304) 3.012 4.829 ( 3.194 -2.665 6.087) 7.373 4.882 ( 1.037 2.960 -4.782) 5.719 4.927 ( -2.193 4.267 3.599) 5.997 5.048 ( 4.741 -3.855 0.791) 6.162 5.110 ( 5.328 0.586 0.499) 5.384 5.149 ( -0.773 0.026 3.898) 3.974 5.155 ( -9.373 1.780 2.005) 9.749 5.210 ( 1.960 -3.320 0.428) 3.879 5.267 ( -10.727 -0.908 -1.315) 10.846 5.357 ( -1.342 3.083 1.406) 3.645 5.383 ( 1.818 -2.107 -0.996) 2.955 5.466 ( -0.987 -0.114 0.276) 1.031 5.559 ( -6.954 0.793 7.021) 9.914 5.573 ( -3.104 0.938 2.399) 4.034 5.608 ( -4.767 2.153 4.089) 6.639 5.780 ( 1.075 7.989 -4.310) 9.141 5.796 ( -4.686 2.269 -4.530) 6.902 5.873 ( 4.699 4.999 -1.197) 6.964 6.041 ( 3.078 -4.190 0.582) 5.231 6.101 ( -4.515 -4.698 -1.693) 6.732 6.183 ( 1.395 1.845 -1.660) 2.847 6.227 ( -0.937 1.602 -0.720) 1.991 6.341 ( 3.973 -0.982 0.102) 4.094 6.400 ( -3.408 0.606 -2.135) 4.067 6.506 ( 3.000 -0.313 -5.376) 6.164 6.640 ( -6.310 3.496 -4.636) 8.575 6.786 ( 7.561 -7.598 2.247) 10.952 6.811 ( 2.311 -2.344 1.528) 3.629 6.878 ( 4.760 -7.030 -4.575) 9.645 6.910 ( 2.914 -5.123 -3.422) 6.815 7.030 ( 2.998 -1.924 3.435) 4.949 7.116 ( 6.138 -1.435 3.694) 7.307 7.175 ( 4.146 -4.569 1.248) 6.295 7.254 ( 2.703 -2.881 -2.498) 4.674 7.360 ( 6.430 -3.400 -1.364) 7.400 7.428 ( 6.631 2.468 -2.173) 7.402 7.508 ( 13.604 0.510 8.296) 15.942 7.585 ( 2.539 -2.816 3.195) 4.958 7.633 ( 3.009 0.435 1.342) 3.323 7.746 ( 4.428 -5.787 -2.217) 7.617 7.759 ( -1.146 -0.331 0.135) 1.200 7.865 ( 1.593 -3.282 -0.390) 3.669 7.909 ( 2.681 0.661 1.953) 3.383 8.065 ( 5.604 -2.010 2.454) 6.439 8.211 ( -4.813 2.654 -0.885) 5.567 8.237 ( -2.340 0.159 -3.521) 4.231 8.261 ( 0.275 5.514 5.190) 7.577 8.341 ( 3.929 2.672 -2.609) 5.421 8.561 ( 0.389 -3.831 -0.900) 3.955 8.650 ( 7.505 -2.145 -0.051) 7.806 8.831 ( 1.065 -1.394 4.634) 4.955 8.880 ( 2.218 -1.022 0.190) 2.449 8.951 ( 4.116 -4.645 -1.272) 6.335 8.991 ( 3.941 -0.738 2.619) 4.789 9.143 ( -5.678 -1.750 -1.007) 6.027 9.165 ( -3.460 1.405 -4.256) 5.662 9.272 ( -0.504 0.247 1.060) 1.199 9.329 ( -1.638 -1.154 1.331) 2.406 9.386 ( -1.349 6.570 4.755) 8.222 9.580 ( 2.734 1.077 -6.477) 7.112 9.629 ( -1.227 -3.015 -1.232) 3.480 9.827 ( -0.290 -2.993 5.032) 5.862 9.873 ( 5.514 -1.673 -1.119) 5.869 9.969 ( -1.334 0.616 2.128) 2.586 10.116 ( 4.208 2.902 0.631) 5.151 10.140 ( -2.443 3.282 -2.104) 4.601 10.223 ( 2.138 3.031 2.083) 4.254 10.293 ( -4.050 3.905 -1.669) 5.868 10.469 ( -3.857 -0.152 4.680) 6.066 10.539 ( -6.861 1.721 -6.616) 9.686 10.587 ( -3.055 -2.793 0.078) 4.140 10.652 ( -1.287 1.666 -1.452) 2.557 10.890 ( 4.512 -0.987 -0.331) 4.630 10.938 ( 2.160 -3.024 -1.159) 3.892 10.995 ( -1.047 3.508 -0.321) 3.675 11.143 ( 1.141 3.897 0.542) 4.096 11.277 ( 6.189 -1.520 2.213) 6.746 11.482 ( 4.594 -4.591 -2.021) 6.802 11.578 ( -0.785 -0.222 0.944) 1.248 11.652 ( -0.116 -1.327 -1.459) 1.975 11.729 ( 5.763 0.143 1.673) 6.003 11.838 ( 0.124 2.507 6.994) 7.431 11.956 ( 4.992 -3.772 1.707) 6.486 12.022 ( 4.239 3.060 -1.597) 5.466 12.428 ( 7.179 7.291 1.709) 10.374 12.517 ( 4.290 4.679 -10.379) 12.166 12.755 ( -0.172 -2.873 -1.157) 3.102 12.866 ( 7.774 -1.475 0.472) 7.926 12.978 ( -3.986 1.366 -1.569) 4.496 13.181 ( 4.954 -1.114 4.636) 6.876 13.422 ( 0.035 -0.523 -0.197) 0.560 13.458 ( -4.196 3.677 -2.139) 5.975 13.691 ( -2.301 -2.359 -0.057) 3.296 13.792 ( -11.137 -0.790 -2.023) 11.347 13.946 ( 0.486 -3.005 0.339) 3.063 14.066 ( -4.661 -7.019 -6.933) 10.912 14.267 ( -8.832 -0.292 1.921) 9.043 14.330 ( -8.379 -0.585 0.601) 8.420 14.431 ( -14.405 2.389 -1.169) 14.648 14.648 ( -9.533 -6.508 -2.554) 11.822 14.702 ( -14.314 6.878 5.680) 16.866 15.076 ( -5.575 9.121 -3.092) 11.128 15.146 ( -3.662 0.570 -3.938) 5.408 15.255 ( -4.120 -0.158 1.050) 4.254 15.280 ( -3.324 1.029 2.185) 4.109 15.378 ( -4.164 -0.112 2.210) 4.715 15.453 ( 1.544 -7.368 1.526) 7.681 15.741 ( -3.796 2.789 -0.268) 4.718 15.924 ( 1.460 -3.439 0.442) 3.762 15.989 ( 3.725 -8.583 -0.570) 9.374 16.222 ( -0.019 1.565 -0.911) 1.811 16.273 ( -4.218 2.875 0.122) 5.106 16.400 ( 2.559 -4.802 -2.803) 6.121 16.469 ( 1.939 4.698 2.237) 5.553 16.731 ( -1.233 3.533 1.402) 3.996 16.916 ( -2.560 -0.080 -1.901) 3.190 17.335 ( 0.219 0.345 -1.650) 1.699 17.423 ( 1.173 -2.181 2.014) 3.192 17.571 ( -1.511 2.885 -0.558) 3.304 17.774 ( -0.104 -3.221 -1.527) 3.566 18.918 ( 9.654 1.335 0.613) 9.765 19.024 ( 8.476 -0.717 -2.753) 8.940 19.069 ( 9.758 -0.716 -0.038) 9.784 19.102 ( 7.731 -1.903 -0.453) 7.975 24.966 ( 0.552 4.105 1.272) 4.333 25.174 ( -0.203 0.929 -3.489) 3.617 25.454 ( -8.959 -8.585 2.861) 12.734 25.750 ( -12.221 -19.224 -7.206) 23.892 26.861 ( 0.699 1.827 -0.042) 1.957 26.927 ( 0.155 2.228 -0.158) 2.239 27.013 ( -0.594 -0.643 0.202) 0.898 27.035 ( 0.950 2.800 -5.644) 6.371 27.753 ( -0.583 12.691 0.774) 12.728 27.854 ( -1.136 16.101 -2.738) 16.371 28.171 ( -1.544 -0.149 1.633) 2.252 28.255 ( -2.168 1.895 -3.669) 4.664 28.455 ( -1.207 -1.345 11.217) 11.362 28.620 ( -3.984 -2.965 8.353) 9.718 28.891 ( -4.370 6.197 0.562) 7.603 28.982 ( -5.367 -2.224 -4.823) 7.551 29.076 ( -5.829 0.622 -3.629) 6.894 29.268 ( -9.349 -0.159 -4.535) 10.392 29.498 ( 11.731 4.825 10.316) 16.349 29.736 ( 5.171 -4.346 -3.719) 7.711 29.808 ( 3.833 0.771 -2.106) 4.440 30.101 ( 3.851 -1.168 -7.231) 8.275 30.159 ( 11.810 -2.959 9.482) 15.432 30.258 ( 2.584 -0.417 -2.965) 3.955 30.545 ( 9.169 -0.663 6.248) 11.116 30.635 ( -0.297 1.062 -1.910) 2.206 30.711 ( 0.663 -2.436 6.689) 7.149 30.898 ( -4.133 -5.163 -4.612) 8.063 ======================= Grid point 48 (26/54) ======================= q-point: (-0.14 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -21.717 16.962 19.298) 33.641 1.304 ( -27.897 19.953 15.538) 37.654 2.163 ( -24.351 37.548 22.934) 50.287 2.390 ( 3.172 -8.261 -4.471) 9.914 2.655 ( -7.362 -14.245 0.936) 16.062 2.783 ( 0.456 -0.044 3.157) 3.190 2.953 ( -10.453 3.749 -7.795) 13.568 2.997 ( -2.582 1.680 -4.215) 5.221 3.026 ( -4.009 0.944 -10.802) 11.560 3.182 ( -4.897 0.354 -6.212) 7.918 3.316 ( 1.992 3.130 2.070) 4.249 3.429 ( -3.272 1.896 0.144) 3.784 3.539 ( 4.063 -2.812 1.996) 5.329 3.591 ( -3.192 -3.514 -0.371) 4.762 3.727 ( -6.127 0.758 -0.816) 6.227 3.764 ( 0.539 6.364 0.552) 6.410 3.839 ( -1.177 5.673 3.296) 6.665 3.958 ( 0.226 -0.362 -2.776) 2.808 4.058 ( -1.605 -0.750 0.005) 1.771 4.130 ( 0.009 2.039 -3.226) 3.816 4.230 ( -0.549 1.368 2.043) 2.519 4.329 ( -2.655 1.461 4.667) 5.565 4.392 ( -4.301 2.080 1.186) 4.922 4.437 ( 1.395 6.472 -2.531) 7.088 4.462 ( -1.442 3.388 4.377) 5.720 4.559 ( 0.292 5.330 -2.134) 5.749 4.668 ( -4.809 -2.308 4.189) 6.782 4.804 ( 3.413 -0.587 -2.697) 4.389 4.844 ( -11.011 -2.560 7.231) 13.420 4.861 ( 1.965 6.365 5.169) 8.432 4.913 ( -2.459 -0.178 -9.397) 9.715 4.972 ( -1.733 -2.942 2.003) 3.959 5.051 ( -1.737 -5.184 2.407) 5.973 5.089 ( -2.296 -2.918 -1.491) 4.002 5.123 ( -4.988 -6.263 0.279) 8.011 5.191 ( -2.497 -4.117 1.031) 4.924 5.258 ( 0.285 -3.397 -2.224) 4.070 5.312 ( 4.461 -0.486 -0.565) 4.523 5.364 ( -2.804 1.919 2.886) 4.458 5.449 ( 4.060 1.062 3.239) 5.301 5.510 ( -0.914 0.886 3.316) 3.552 5.538 ( 2.062 6.418 -2.918) 7.346 5.678 ( 3.841 1.013 -5.775) 7.009 5.772 ( 4.296 -1.780 -0.663) 4.697 5.849 ( 1.165 3.208 -6.052) 6.948 5.948 ( 3.215 4.932 4.143) 7.199 6.013 ( -2.609 1.462 -3.989) 4.985 6.065 ( -3.210 4.210 -5.992) 7.996 6.156 ( 3.064 2.456 -4.506) 5.977 6.219 ( 1.497 0.579 1.608) 2.272 6.347 ( 1.288 4.114 -5.588) 7.057 6.466 ( -0.488 3.104 -1.000) 3.297 6.570 ( 4.366 -0.571 -5.716) 7.215 6.654 ( 7.200 2.318 -0.807) 7.607 6.855 ( -2.681 -3.713 -0.872) 4.663 6.890 ( 5.766 -4.650 -3.251) 8.089 6.948 ( 4.740 -11.114 0.004) 12.082 6.958 ( 1.395 -1.953 3.156) 3.965 7.116 ( 4.664 -6.175 4.362) 8.883 7.202 ( 2.953 -2.929 5.924) 7.238 7.228 ( 3.609 -7.077 -1.381) 8.063 7.319 ( -0.639 -3.123 -3.499) 4.733 7.444 ( 0.056 -3.183 1.577) 3.553 7.458 ( 0.053 -5.850 -2.937) 6.546 7.595 ( 5.774 3.155 -1.038) 6.661 7.652 ( 0.961 -0.364 2.668) 2.859 7.732 ( -3.430 1.273 0.983) 3.789 7.768 ( -0.989 4.901 -7.761) 9.233 7.857 ( -0.464 -1.012 -3.406) 3.584 7.868 ( 5.594 0.893 -0.045) 5.666 7.962 ( 3.583 -1.568 11.100) 11.769 8.121 ( 2.775 0.709 2.525) 3.818 8.175 ( -3.206 -0.787 0.132) 3.304 8.198 ( 3.606 -1.041 1.812) 4.167 8.288 ( 0.972 3.948 4.471) 6.043 8.445 ( 4.552 -0.587 0.460) 4.613 8.615 ( 7.309 -3.921 7.901) 11.455 8.761 ( 2.593 -0.364 0.230) 2.628 8.813 ( -2.194 -1.253 0.309) 2.545 8.885 ( -4.553 -2.549 -3.601) 6.339 8.935 ( -4.840 -3.413 2.687) 6.503 9.020 ( 2.386 -2.679 0.193) 3.593 9.099 ( 2.882 2.356 0.481) 3.754 9.127 ( -0.198 3.645 -0.728) 3.722 9.254 ( -1.046 -3.450 2.429) 4.347 9.308 ( 1.412 -4.264 1.455) 4.721 9.396 ( 0.413 2.801 3.123) 4.215 9.614 ( -0.600 -4.925 1.817) 5.283 9.637 ( 0.573 3.573 -5.096) 6.250 9.856 ( 1.802 -4.201 3.172) 5.564 9.896 ( -3.554 -1.438 -1.573) 4.144 9.997 ( 3.689 0.012 1.999) 4.196 10.089 ( -0.673 2.851 2.487) 3.843 10.179 ( 2.702 0.943 -1.735) 3.346 10.249 ( -0.304 0.879 2.476) 2.645 10.271 ( -1.516 1.618 -0.274) 2.234 10.417 ( -1.028 12.428 -10.637) 16.391 10.453 ( 1.476 2.377 -0.086) 2.799 10.532 ( 0.200 -0.185 0.323) 0.423 10.677 ( 3.619 6.450 -2.942) 7.959 10.908 ( -4.717 -3.121 -0.859) 5.720 10.952 ( 1.897 0.922 3.942) 4.470 11.054 ( 4.997 -1.896 1.033) 5.444 11.163 ( -1.317 1.404 1.964) 2.750 11.399 ( 7.521 0.456 -1.616) 7.706 11.574 ( 5.570 0.336 -7.316) 9.202 11.665 ( 4.238 -3.127 1.335) 5.433 11.684 ( 7.114 -3.580 2.924) 8.484 11.827 ( 3.717 0.719 4.625) 5.977 11.918 ( 10.655 0.394 10.747) 15.139 12.017 ( 0.560 -0.797 3.297) 3.438 12.102 ( 2.778 0.893 -1.632) 3.344 12.464 ( -0.846 3.439 -5.847) 6.836 12.670 ( 8.515 8.131 1.731) 11.900 12.731 ( -2.574 -3.405 -4.090) 5.912 12.888 ( -1.585 4.364 -4.743) 6.637 13.054 ( 5.786 -4.588 3.021) 7.979 13.166 ( -5.430 -2.253 -4.571) 7.447 13.341 ( -8.659 -1.360 -8.626) 12.298 13.473 ( -4.324 2.014 4.081) 6.277 13.522 ( -3.067 -0.488 -1.963) 3.674 13.564 ( -9.107 2.028 0.597) 9.349 13.941 ( -5.876 -7.165 -0.701) 9.293 13.984 ( -1.468 -4.605 0.730) 4.888 14.072 ( -12.609 -1.292 -1.573) 12.772 14.168 ( -8.114 -2.998 1.714) 8.819 14.255 ( -2.303 2.879 0.997) 3.819 14.416 ( -10.441 9.486 3.380) 14.506 14.461 ( -8.207 -1.777 -2.973) 8.908 14.890 ( -12.708 11.138 -13.301) 21.505 15.113 ( -0.788 -0.608 -1.011) 1.418 15.165 ( -2.572 -3.268 0.492) 4.188 15.243 ( -2.507 -0.703 3.815) 4.619 15.256 ( -2.870 -1.309 5.469) 6.314 15.526 ( 2.700 -0.568 0.150) 2.764 15.669 ( -2.293 2.695 -0.945) 3.663 15.918 ( -1.597 -4.160 -1.008) 4.568 15.999 ( -3.015 -11.404 -2.345) 12.026 16.216 ( 0.419 6.881 0.868) 6.948 16.251 ( 1.046 0.870 -1.657) 2.144 16.465 ( 3.789 -3.371 -0.444) 5.090 16.534 ( 4.091 2.901 2.906) 5.796 16.687 ( -3.137 1.707 0.675) 3.635 16.854 ( -4.227 -1.466 -1.523) 4.726 17.362 ( 2.579 0.813 -0.771) 2.812 17.431 ( -0.247 -1.114 1.412) 1.816 17.527 ( -2.608 1.694 -0.445) 3.141 17.725 ( -5.840 -6.267 -2.028) 8.803 19.099 ( 7.605 1.204 1.207) 7.793 19.202 ( 9.005 -0.694 -0.045) 9.032 19.240 ( 6.511 -1.372 -0.354) 6.663 19.265 ( 7.960 -0.649 -0.251) 7.991 24.994 ( 2.425 3.134 1.022) 4.093 25.162 ( -1.077 -0.670 -3.744) 3.953 25.266 ( -9.229 -3.699 1.771) 10.100 25.440 ( -18.066 -11.136 -5.661) 21.964 26.881 ( 1.293 -0.202 -0.526) 1.410 26.929 ( -0.020 1.200 -0.753) 1.416 26.995 ( -1.174 -1.302 0.507) 1.825 27.067 ( 2.505 2.416 -6.240) 7.144 27.743 ( -0.353 11.737 0.346) 11.748 27.830 ( -1.030 14.278 -3.274) 14.684 28.125 ( -2.799 0.106 0.840) 2.924 28.198 ( -3.257 -1.621 -3.897) 5.332 28.443 ( -0.267 -3.333 10.868) 11.370 28.542 ( -4.311 -1.919 9.003) 10.164 28.819 ( -3.014 0.730 0.173) 3.106 28.907 ( -1.475 11.040 -7.214) 13.270 28.977 ( -4.059 -2.611 -2.176) 5.294 29.127 ( -4.272 0.229 -4.900) 6.505 29.776 ( 3.900 -1.511 -5.160) 6.642 29.793 ( 13.868 2.835 7.715) 16.121 29.957 ( 8.821 1.703 -1.700) 9.143 30.154 ( 2.110 -0.335 -3.563) 4.154 30.250 ( 1.830 -0.336 -3.524) 3.984 30.350 ( 1.548 -1.152 -0.395) 1.970 30.566 ( -8.106 -2.118 -4.371) 9.450 30.629 ( -2.605 -4.179 -2.907) 5.719 30.799 ( 6.422 -0.546 14.023) 15.433 30.941 ( 12.883 -6.603 12.652) 19.226 ======================= Grid point 49 (27/54) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( 3.907 30.464 5.157) 31.143 1.653 ( 6.103 28.680 15.182) 33.019 2.115 ( 2.373 -26.369 -3.401) 26.693 2.165 ( 5.030 -21.847 5.384) 23.056 2.654 ( -3.855 11.684 17.701) 21.557 2.719 ( -5.046 -1.915 4.218) 6.850 2.848 ( -9.490 8.297 -4.987) 13.556 2.943 ( -1.227 1.642 -3.348) 3.925 3.063 ( 3.105 16.414 10.012) 19.476 3.197 ( 0.988 0.504 -7.934) 8.011 3.373 ( -0.329 3.016 -7.783) 8.354 3.498 ( 3.232 0.353 10.417) 10.913 3.610 ( 7.439 6.731 -5.908) 11.643 3.682 ( -0.141 1.550 -8.832) 8.968 3.743 ( 2.159 -1.065 6.647) 7.069 3.866 ( -0.188 2.844 1.948) 3.452 3.961 ( 3.132 -2.777 3.421) 5.406 3.974 ( 0.941 0.826 1.200) 1.735 4.096 ( 6.175 0.486 -1.142) 6.298 4.153 ( 1.478 3.683 -1.504) 4.244 4.187 ( -7.027 -0.220 -0.520) 7.050 4.238 ( -1.136 -11.155 3.673) 11.799 4.330 ( -3.765 4.746 -0.415) 6.072 4.411 ( -7.543 -0.156 -0.199) 7.547 4.481 ( -6.939 0.435 1.401) 7.092 4.513 ( -2.235 -0.406 2.433) 3.328 4.613 ( -1.843 -0.003 1.784) 2.565 4.679 ( -0.679 -2.161 1.670) 2.814 4.809 ( 7.064 5.155 -0.635) 8.769 4.870 ( 0.458 -1.822 0.485) 1.941 4.913 ( -3.130 1.663 1.463) 3.834 4.924 ( 2.547 -1.571 -0.834) 3.107 4.980 ( 2.159 -3.081 -1.472) 4.040 5.075 ( 1.563 -8.796 -0.067) 8.934 5.106 ( 4.064 4.549 -0.537) 6.124 5.163 ( 2.252 0.414 1.027) 2.510 5.201 ( 2.721 6.372 -2.408) 7.335 5.299 ( -1.329 0.469 -0.610) 1.536 5.375 ( 0.350 -0.216 -4.888) 4.905 5.402 ( -5.162 -5.544 2.192) 7.886 5.528 ( -5.127 0.251 2.833) 5.863 5.614 ( -2.463 -3.772 0.157) 4.508 5.682 ( 3.517 -1.228 -0.672) 3.785 5.712 ( 0.192 -3.080 -3.819) 4.910 5.936 ( -5.304 5.108 -2.569) 7.798 5.979 ( -0.278 4.554 -6.130) 7.642 6.106 ( 2.576 0.862 -4.828) 5.540 6.145 ( 3.594 0.637 -3.415) 4.999 6.264 ( -3.155 10.018 -12.079) 16.007 6.389 ( 0.988 4.664 1.887) 5.127 6.470 ( -1.591 2.035 -9.882) 10.214 6.531 ( 2.044 -0.722 -0.069) 2.169 6.598 ( 1.461 -5.961 4.350) 7.523 6.647 ( 2.377 -8.795 -2.640) 9.485 6.709 ( 1.644 -2.562 -4.296) 5.265 6.786 ( 3.940 -6.485 0.749) 7.625 6.912 ( -3.180 0.400 2.001) 3.779 6.960 ( -6.249 -2.291 1.920) 6.928 7.038 ( -0.010 4.519 4.506) 6.382 7.121 ( 0.443 -3.448 3.339) 4.820 7.221 ( 3.425 -1.640 1.464) 4.070 7.272 ( -4.621 -6.264 -2.124) 8.069 7.393 ( 7.232 0.124 -2.288) 7.586 7.445 ( 4.576 -3.420 -2.179) 6.114 7.578 ( -2.559 1.915 -2.609) 4.126 7.610 ( -3.429 -0.484 -3.527) 4.943 7.776 ( -2.057 3.411 -9.045) 9.883 7.808 ( -2.160 2.882 0.028) 3.602 7.833 ( 0.652 0.169 2.023) 2.132 7.891 ( 0.088 -4.638 1.318) 4.822 8.032 ( -1.442 4.034 6.459) 7.751 8.119 ( -1.188 -3.552 6.214) 7.256 8.212 ( 3.685 2.486 3.350) 5.566 8.255 ( 1.907 -1.445 -0.065) 2.394 8.360 ( -1.689 5.953 1.923) 6.480 8.419 ( -0.858 -0.679 5.957) 6.057 8.536 ( -3.520 -3.218 11.024) 12.011 8.627 ( -6.383 -9.014 -1.776) 11.187 8.790 ( -0.224 0.648 1.435) 1.591 8.817 ( -0.464 -1.169 0.021) 1.258 8.953 ( 2.488 0.143 2.764) 3.722 8.986 ( 5.586 -1.793 4.369) 7.315 9.184 ( -0.960 3.101 -1.051) 3.412 9.222 ( 0.795 -1.981 -2.250) 3.101 9.239 ( 1.015 -1.014 0.585) 1.550 9.274 ( 4.792 -1.781 -0.077) 5.112 9.384 ( -4.748 4.586 0.870) 6.658 9.500 ( -4.774 -3.956 1.013) 6.282 9.711 ( 0.606 3.420 -4.023) 5.315 9.794 ( 2.343 -3.563 -4.565) 6.247 9.876 ( 2.814 5.567 5.658) 8.422 10.009 ( 4.009 -5.773 4.870) 8.551 10.119 ( -3.022 3.656 2.180) 5.220 10.189 ( -0.598 -3.094 -0.456) 3.184 10.275 ( 1.742 2.766 2.318) 4.008 10.311 ( 1.627 -0.850 2.249) 2.903 10.483 ( 0.121 0.497 -4.312) 4.342 10.486 ( -0.119 0.745 -4.434) 4.498 10.625 ( -0.400 4.444 -2.699) 5.215 10.726 ( -3.775 -5.094 -1.104) 6.436 10.998 ( -2.330 1.282 6.293) 6.832 11.006 ( 2.681 6.693 -7.983) 10.757 11.050 ( -2.497 -0.621 -0.070) 2.574 11.087 ( -0.999 -1.532 0.493) 1.895 11.546 ( 1.708 3.138 -3.309) 4.869 11.614 ( 0.483 -2.881 -5.521) 6.246 11.704 ( 1.038 2.696 1.978) 3.501 11.768 ( 1.980 -2.772 -0.802) 3.500 11.884 ( -0.786 -1.476 1.655) 2.353 11.895 ( -1.020 -2.669 4.947) 5.713 12.104 ( -0.408 2.515 2.010) 3.245 12.140 ( 0.285 -1.429 3.820) 4.089 12.506 ( -2.890 2.320 -7.864) 8.694 12.551 ( -4.795 -1.959 -8.753) 10.171 12.791 ( -1.913 0.517 -1.066) 2.250 12.826 ( -0.444 -3.268 -0.755) 3.383 13.093 ( 6.018 1.603 0.948) 6.300 13.136 ( 6.990 -2.628 -0.857) 7.517 13.338 ( 2.475 2.908 -4.286) 5.740 13.372 ( 0.092 -0.490 -3.982) 4.013 13.504 ( -5.172 3.519 2.169) 6.621 13.536 ( -1.669 0.139 1.205) 2.063 13.842 ( 2.674 0.124 -1.632) 3.135 13.871 ( -1.949 -1.310 -3.397) 4.130 14.003 ( 5.552 2.474 6.756) 9.088 14.077 ( 5.526 -4.056 6.337) 9.335 14.268 ( -3.263 3.611 -1.119) 4.994 14.336 ( -3.129 -2.913 -0.640) 4.322 14.532 ( -1.887 10.970 3.371) 11.630 14.727 ( -5.055 -5.597 -5.211) 9.167 15.100 ( 1.391 2.353 0.672) 2.815 15.155 ( 7.031 -2.633 3.232) 8.174 15.218 ( -0.031 -1.159 3.328) 3.524 15.228 ( 0.689 -0.915 2.600) 2.841 15.609 ( 1.106 3.033 -2.344) 3.990 15.691 ( 1.560 -1.627 -1.203) 2.555 15.726 ( -4.454 -1.552 -1.634) 4.992 15.808 ( -0.703 -6.032 -3.526) 7.022 16.342 ( -1.278 6.490 0.214) 6.618 16.374 ( 4.700 3.804 -1.078) 6.142 16.474 ( 4.117 -3.431 1.022) 5.455 16.490 ( -3.775 -5.216 0.413) 6.452 16.717 ( -0.157 2.796 0.294) 2.816 16.744 ( -2.897 -0.051 0.807) 3.008 17.415 ( -1.684 0.585 0.593) 1.878 17.429 ( 0.878 -0.636 0.692) 1.286 17.509 ( -0.352 0.949 -0.421) 1.097 17.529 ( -2.041 -1.135 -0.377) 2.365 19.207 ( 0.058 1.766 1.371) 2.237 19.248 ( 0.195 -2.345 1.616) 2.855 19.327 ( 0.076 0.664 -1.425) 1.574 19.340 ( 0.116 -0.662 -0.872) 1.100 25.078 ( -0.094 2.222 0.835) 2.376 25.119 ( -0.841 -1.696 0.491) 1.956 25.164 ( 0.822 1.687 -0.792) 2.037 25.198 ( 0.270 -1.533 -1.012) 1.857 26.890 ( 0.110 -0.033 -0.149) 0.188 26.904 ( -0.454 -1.522 -0.068) 1.590 26.993 ( 0.080 3.298 -1.296) 3.544 27.073 ( 1.406 -4.295 -3.853) 5.939 27.948 ( -0.793 8.213 0.383) 8.261 28.025 ( 0.553 7.145 -2.805) 7.695 28.058 ( -1.378 -2.546 0.935) 3.042 28.123 ( 0.735 -2.188 -1.936) 3.013 28.426 ( 0.158 0.523 9.743) 9.758 28.454 ( -0.936 -1.687 9.762) 9.951 28.823 ( 0.580 2.429 -0.751) 2.607 28.880 ( 0.309 -2.917 -1.164) 3.156 29.058 ( 0.287 4.803 -4.786) 6.786 29.109 ( 0.967 -0.530 -3.944) 4.095 29.813 ( 0.886 0.488 -6.997) 7.070 29.853 ( 0.070 -3.743 -7.255) 8.163 30.155 ( -2.458 3.332 -4.951) 6.455 30.194 ( 0.958 -0.839 -1.385) 1.881 30.269 ( -7.410 0.501 -2.125) 7.725 30.286 ( -5.324 -0.881 -4.042) 6.742 30.406 ( 5.482 2.651 -0.902) 6.156 30.490 ( 2.362 -5.742 -3.074) 6.928 30.896 ( 0.366 2.775 13.623) 13.907 30.994 ( 3.577 -7.755 14.879) 17.156 ======================= Grid point 50 (28/54) ======================= q-point: ( 0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.738 ( 15.552 27.703 4.222) 32.049 1.896 ( 14.431 21.328 16.345) 30.501 2.179 ( 5.442 -11.155 1.140) 12.464 2.312 ( 6.889 -23.192 0.692) 24.204 2.658 ( -3.845 1.231 -2.443) 4.719 2.726 ( 2.470 -4.416 -1.030) 5.164 2.837 ( 12.439 8.070 4.526) 15.503 2.972 ( 7.335 -6.460 0.260) 9.778 3.212 ( 11.388 17.088 13.090) 24.352 3.271 ( 5.080 0.802 -5.342) 7.415 3.332 ( -2.238 6.034 -9.166) 11.199 3.510 ( -1.186 -2.519 9.895) 10.279 3.606 ( -5.423 10.274 1.161) 11.675 3.760 ( -0.780 -0.716 4.698) 4.816 3.852 ( 9.960 0.628 -6.877) 12.120 3.932 ( 6.269 -3.370 -0.333) 7.125 3.989 ( 0.240 3.450 0.910) 3.576 4.013 ( -0.064 0.516 -1.427) 1.518 4.081 ( -0.593 0.862 -1.157) 1.560 4.116 ( -5.802 -1.087 -4.850) 7.639 4.163 ( 7.111 6.310 -0.467) 9.518 4.222 ( 5.482 2.137 -4.036) 7.135 4.331 ( -1.458 2.332 3.864) 4.742 4.400 ( 1.065 2.233 -0.492) 2.522 4.442 ( 1.030 -1.950 5.849) 6.251 4.518 ( 11.450 -8.077 0.094) 14.013 4.619 ( 1.719 5.272 3.475) 6.544 4.743 ( 4.203 -6.407 -0.406) 7.673 4.779 ( -5.647 1.015 4.393) 7.227 4.825 ( -5.465 -2.029 2.388) 6.300 4.913 ( -3.578 2.289 -0.387) 4.265 4.969 ( 6.100 6.651 -0.912) 9.071 5.052 ( -3.077 -6.284 -0.833) 7.047 5.154 ( 8.498 -0.085 0.249) 8.502 5.179 ( 0.995 -0.793 0.510) 1.371 5.200 ( 2.878 4.563 0.093) 5.396 5.234 ( -1.659 -2.510 -0.601) 3.068 5.304 ( 2.136 -2.282 -0.828) 3.234 5.329 ( 1.113 0.075 -0.015) 1.116 5.391 ( -0.974 1.359 1.563) 2.289 5.505 ( 7.133 2.233 5.109) 9.053 5.606 ( 4.248 -3.041 -4.547) 6.926 5.658 ( -1.211 -1.029 -8.956) 9.095 5.735 ( 3.811 -8.739 2.852) 9.952 5.879 ( -1.964 5.794 -1.089) 6.214 5.982 ( -0.644 -1.040 1.326) 1.804 6.065 ( -7.767 5.897 -5.254) 11.077 6.164 ( -3.561 -0.142 -3.635) 5.091 6.198 ( -4.140 5.959 -11.706) 13.772 6.332 ( -6.643 -0.896 -2.576) 7.181 6.386 ( -1.579 11.429 -1.555) 11.641 6.531 ( -1.186 -1.846 -4.079) 4.632 6.571 ( -3.159 -6.644 -1.898) 7.597 6.645 ( -4.915 -7.389 0.031) 8.874 6.729 ( 1.111 -3.604 1.227) 3.966 6.750 ( -4.774 -1.228 1.575) 5.174 6.832 ( -3.336 -4.867 -1.729) 6.148 6.854 ( -9.217 -4.432 -3.744) 10.891 7.025 ( -1.977 4.714 4.511) 6.818 7.125 ( -1.948 -5.258 7.289) 9.196 7.207 ( 1.052 3.463 1.713) 4.004 7.263 ( -1.879 -2.585 -2.571) 4.102 7.421 ( -0.809 1.485 -1.717) 2.410 7.491 ( 0.073 -3.252 -3.350) 4.670 7.545 ( -0.476 -2.183 -0.960) 2.432 7.563 ( -2.427 -2.526 -0.846) 3.604 7.736 ( -1.821 3.305 -0.455) 3.801 7.758 ( -5.005 0.576 0.666) 5.082 7.826 ( -2.249 2.562 1.913) 3.909 7.889 ( -1.531 -2.453 -2.216) 3.643 8.010 ( 0.330 3.139 2.369) 3.946 8.100 ( -1.174 -3.925 6.216) 7.445 8.222 ( -1.907 4.954 0.380) 5.322 8.261 ( 0.731 0.737 -1.550) 1.865 8.327 ( -1.410 2.483 0.514) 2.901 8.438 ( 1.947 0.983 5.616) 6.024 8.494 ( -6.433 -10.308 1.002) 12.192 8.503 ( -0.860 -4.445 10.393) 11.336 8.750 ( -2.932 1.401 -1.206) 3.466 8.787 ( -2.595 -2.296 -0.976) 3.599 8.971 ( -2.705 2.582 0.199) 3.745 9.054 ( -2.740 -4.470 1.120) 5.361 9.181 ( 3.293 -0.087 2.560) 4.172 9.196 ( 0.106 0.523 -0.176) 0.562 9.234 ( -0.041 4.335 -4.200) 6.036 9.365 ( 3.143 -1.507 -1.488) 3.790 9.377 ( 2.061 -2.468 2.381) 4.001 9.430 ( -0.358 -1.533 -0.101) 1.577 9.767 ( 3.096 3.990 -2.050) 5.450 9.826 ( 0.368 -0.523 -0.755) 0.990 9.936 ( 2.334 5.499 5.748) 8.290 10.045 ( -0.690 -3.544 5.074) 6.228 10.079 ( -0.400 3.315 -0.024) 3.339 10.182 ( -0.569 -5.829 0.913) 5.928 10.288 ( 0.294 1.894 0.057) 1.918 10.297 ( -1.828 1.078 0.852) 2.287 10.512 ( 2.686 1.425 -3.892) 4.939 10.536 ( 1.720 -1.699 -2.144) 3.231 10.615 ( 2.004 0.437 -0.323) 2.076 10.653 ( -3.480 -4.001 -1.952) 5.651 10.833 ( -10.161 7.868 -0.099) 12.852 10.963 ( -5.847 -4.316 0.311) 7.275 11.021 ( 0.235 5.472 -2.177) 5.893 11.106 ( 0.288 -2.377 1.394) 2.771 11.546 ( 0.151 3.372 -2.813) 4.394 11.579 ( -2.001 0.465 -5.139) 5.534 11.664 ( -4.473 1.169 -0.174) 4.626 11.693 ( -5.263 -1.416 -0.534) 5.476 11.786 ( -6.503 0.483 5.671) 8.642 11.828 ( -6.825 -3.100 3.394) 8.229 12.066 ( -3.366 1.633 2.327) 4.405 12.101 ( -3.834 -1.658 2.912) 5.092 12.432 ( -3.452 2.478 -6.708) 7.941 12.499 ( -1.800 -3.654 -8.987) 9.867 12.876 ( 7.072 0.594 0.813) 7.143 12.897 ( 4.770 -1.642 -0.668) 5.088 13.143 ( -6.135 3.148 -4.526) 8.248 13.177 ( -3.085 1.355 0.217) 3.376 13.324 ( 0.640 -1.017 -5.667) 5.793 13.365 ( 0.841 -3.469 -0.718) 3.641 13.561 ( 8.239 5.026 2.449) 9.957 13.653 ( 10.259 -4.000 2.958) 11.402 13.909 ( 6.835 3.533 -1.308) 7.804 13.984 ( 10.402 -3.849 -1.382) 11.177 14.145 ( 4.068 1.842 4.675) 6.465 14.185 ( -1.306 -1.977 1.305) 2.705 14.292 ( 7.842 -0.041 -1.322) 7.953 14.313 ( 8.876 -2.418 1.892) 9.392 14.597 ( 8.497 8.925 2.986) 12.680 14.756 ( 7.460 -4.669 -4.734) 9.993 15.126 ( 1.860 4.417 -1.995) 5.191 15.207 ( 0.968 -2.393 -0.669) 2.667 15.307 ( 6.928 0.901 5.976) 9.194 15.356 ( 7.599 -2.639 8.230) 11.509 15.627 ( 0.938 -2.810 -4.429) 5.329 15.647 ( -2.581 -2.727 0.199) 3.759 15.730 ( 2.114 1.110 -2.220) 3.260 15.814 ( 1.131 -6.059 -2.991) 6.851 16.272 ( -5.061 5.068 -0.183) 7.165 16.364 ( -7.410 -3.837 1.055) 8.411 16.485 ( 4.663 3.626 0.463) 5.925 16.540 ( 2.213 -1.724 2.564) 3.801 16.734 ( 2.241 2.725 -1.682) 3.909 16.766 ( 4.455 -0.484 -1.967) 4.894 17.358 ( -2.748 2.043 0.203) 3.430 17.402 ( -1.752 -2.231 1.102) 3.043 17.556 ( 2.892 0.667 -0.826) 3.081 17.560 ( 4.121 0.299 -1.456) 4.381 19.132 ( -7.435 1.973 1.097) 7.770 19.175 ( -7.613 -2.159 0.956) 7.971 19.242 ( -7.488 0.336 -1.160) 7.585 19.253 ( -8.185 -0.708 -0.794) 8.254 25.071 ( 0.063 4.480 0.920) 4.574 25.164 ( 4.363 -3.963 0.608) 5.925 25.190 ( 2.037 2.746 -1.466) 3.720 25.288 ( 7.401 -6.421 -1.349) 9.890 26.892 ( 0.401 0.617 0.002) 0.736 26.915 ( 1.153 -1.579 -0.474) 2.012 26.998 ( 0.341 4.267 -1.303) 4.474 27.094 ( 0.650 -4.906 -3.001) 5.788 27.954 ( 1.558 8.927 -0.079) 9.062 28.041 ( 1.110 5.709 -0.485) 5.836 28.092 ( 4.335 0.100 -1.543) 4.603 28.173 ( 3.902 -2.222 -1.582) 4.761 28.439 ( 0.766 0.662 9.140) 9.196 28.471 ( 2.326 -2.092 9.806) 10.293 28.865 ( 3.511 2.468 -0.222) 4.297 28.924 ( 4.047 -3.015 -0.766) 5.105 29.099 ( 4.175 4.542 -5.737) 8.424 29.157 ( 4.278 -1.552 -3.673) 5.848 29.736 ( -11.832 1.464 -6.306) 13.487 29.760 ( -6.467 -1.905 -5.842) 8.921 29.940 ( -10.811 8.132 -1.939) 13.666 30.093 ( -8.398 -5.608 -2.143) 10.323 30.244 ( 1.857 0.987 1.134) 2.390 30.278 ( 0.712 -2.483 -2.050) 3.298 30.522 ( 3.683 0.593 -0.894) 3.836 30.550 ( 2.548 -2.001 -2.514) 4.101 30.831 ( -6.103 4.606 10.218) 12.763 30.975 ( -4.510 -10.157 10.307) 15.157 ======================= Grid point 51 (29/54) ======================= q-point: ( 0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 15.172 20.660 3.023) 25.810 2.217 ( 17.855 9.451 10.618) 22.822 2.284 ( 4.693 -1.435 3.365) 5.950 2.448 ( 5.921 -15.666 -1.225) 16.792 2.627 ( 2.320 6.231 1.146) 6.747 2.765 ( 3.766 -4.258 -0.826) 5.744 3.031 ( 3.277 2.032 -3.611) 5.283 3.121 ( -0.434 -6.129 0.105) 6.146 3.199 ( -0.934 3.207 -1.754) 3.773 3.314 ( -4.037 -8.249 1.404) 9.291 3.505 ( 3.136 6.709 2.244) 7.739 3.511 ( 6.942 11.064 0.589) 13.075 3.578 ( 7.371 -0.705 0.480) 7.420 3.715 ( -6.247 -8.697 0.394) 10.715 3.886 ( -0.741 7.487 -4.722) 8.883 3.923 ( -0.287 3.040 3.679) 4.781 3.960 ( 0.518 3.306 -2.092) 3.946 4.031 ( 1.710 -0.705 -10.274) 10.439 4.130 ( 4.569 -0.814 -6.359) 7.872 4.186 ( 3.502 -3.431 -1.168) 5.040 4.272 ( -0.847 3.251 -1.340) 3.617 4.305 ( 2.889 0.493 -0.704) 3.015 4.403 ( -2.037 9.081 4.073) 10.159 4.500 ( 3.280 6.916 -3.028) 8.232 4.566 ( 4.655 0.474 7.014) 8.432 4.629 ( 5.739 -2.108 1.147) 6.220 4.699 ( 9.801 4.279 1.419) 10.788 4.734 ( 4.144 6.034 5.479) 9.144 4.781 ( 4.912 5.967 3.716) 8.576 4.801 ( 1.795 -5.591 1.043) 5.964 4.874 ( -4.226 -4.699 2.971) 6.984 4.991 ( 10.745 -8.059 2.517) 13.665 5.085 ( 0.258 -0.225 -1.504) 1.542 5.132 ( 4.214 3.875 -1.603) 5.945 5.189 ( -5.316 0.046 1.229) 5.456 5.262 ( 5.905 -0.528 3.778) 7.029 5.303 ( 2.767 -3.196 -0.251) 4.235 5.341 ( 1.223 -1.430 0.034) 1.882 5.414 ( 10.065 3.176 7.076) 12.707 5.529 ( 8.700 5.603 1.444) 10.448 5.591 ( -0.526 -2.189 -1.116) 2.513 5.681 ( 1.398 2.721 -2.575) 3.999 5.786 ( 2.965 4.416 2.362) 5.820 5.816 ( 4.298 2.055 -1.321) 4.944 5.860 ( -1.204 1.114 -3.147) 3.549 5.874 ( -0.906 -5.751 -1.081) 5.922 5.989 ( 2.364 -1.257 2.390) 3.589 5.991 ( -7.900 -5.986 4.326) 10.815 6.137 ( -1.924 0.155 -5.678) 5.997 6.206 ( -6.210 -6.480 0.033) 8.975 6.382 ( -2.548 7.021 -4.683) 8.816 6.429 ( -8.129 2.646 -1.663) 8.709 6.513 ( -0.852 4.828 -8.334) 9.669 6.564 ( -2.767 0.836 -3.138) 4.266 6.628 ( -6.313 -2.116 -2.288) 7.041 6.703 ( -4.233 -5.555 1.778) 7.207 6.711 ( -5.804 -5.707 1.066) 8.209 6.785 ( 1.452 -11.008 -2.871) 11.469 6.955 ( -1.084 7.481 0.544) 7.579 7.080 ( -2.195 -2.429 4.031) 5.193 7.188 ( -5.044 -3.302 4.071) 7.274 7.209 ( -5.107 -4.002 3.047) 7.168 7.353 ( -7.914 1.898 -5.196) 9.656 7.422 ( -7.101 4.531 3.494) 9.120 7.446 ( -5.708 -6.668 -3.978) 9.636 7.534 ( -8.277 -4.677 3.780) 10.231 7.666 ( -2.845 0.248 1.947) 3.457 7.682 ( -0.826 -1.700 0.095) 1.892 7.792 ( -0.018 2.966 -0.990) 3.127 7.832 ( -2.580 0.644 0.178) 2.665 8.010 ( -1.649 2.106 -0.308) 2.692 8.061 ( -3.075 -1.582 2.839) 4.474 8.165 ( -2.294 6.577 0.787) 7.010 8.291 ( 1.408 0.298 -4.756) 4.969 8.349 ( 1.637 -1.587 -1.052) 2.511 8.376 ( -3.136 -7.427 -3.974) 8.989 8.478 ( 0.889 0.259 4.081) 4.185 8.503 ( -0.576 -2.533 5.202) 5.814 8.705 ( -0.900 0.898 -0.155) 1.281 8.744 ( -1.111 -3.321 -0.788) 3.589 8.875 ( -4.601 0.769 2.030) 5.087 8.923 ( -7.415 -4.217 2.893) 9.008 9.210 ( 0.125 7.665 -4.881) 9.088 9.244 ( 2.719 1.209 -1.149) 3.190 9.290 ( 3.401 -0.424 1.729) 3.838 9.385 ( 0.961 -6.348 -4.432) 7.802 9.433 ( 2.602 2.674 -0.040) 3.731 9.475 ( 2.262 -0.905 -0.484) 2.485 9.789 ( 0.399 3.121 1.364) 3.429 9.831 ( -0.036 3.006 3.398) 4.537 9.940 ( -1.374 2.396 2.964) 4.051 10.010 ( -3.076 -2.687 2.213) 4.645 10.061 ( -1.483 2.343 1.630) 3.217 10.160 ( -1.200 -5.346 4.444) 7.055 10.301 ( 1.268 4.575 0.350) 4.761 10.361 ( 6.291 2.301 -0.671) 6.733 10.471 ( -4.599 -3.309 -0.422) 5.682 10.502 ( -1.720 -4.662 -3.058) 5.835 10.672 ( 2.626 0.677 -3.610) 4.515 10.677 ( 0.159 2.106 -2.128) 2.998 10.726 ( 2.254 5.318 -0.619) 5.809 10.870 ( -2.339 -6.417 -0.102) 6.831 11.026 ( 0.204 5.050 -1.268) 5.211 11.117 ( 1.273 -2.716 0.219) 3.007 11.477 ( -6.618 2.462 0.565) 7.084 11.529 ( -4.614 -1.768 0.022) 4.942 11.621 ( -4.367 3.401 3.078) 6.334 11.671 ( 3.771 0.606 -2.877) 4.782 11.685 ( -2.215 -1.470 -0.966) 2.829 11.699 ( -2.751 -2.725 1.818) 4.278 11.975 ( -5.770 1.252 2.510) 6.416 12.002 ( -5.695 -0.921 3.067) 6.534 12.373 ( -2.124 4.500 -5.497) 7.415 12.474 ( -0.396 -5.007 -5.810) 7.680 12.923 ( -7.812 2.033 -0.392) 8.081 12.930 ( -4.304 0.895 3.077) 5.366 12.990 ( -1.208 3.396 -2.446) 4.356 13.062 ( -1.799 -3.301 -2.372) 4.445 13.389 ( 4.572 1.577 -1.510) 5.066 13.457 ( 4.061 -4.365 -0.729) 6.007 13.682 ( 1.954 4.853 0.440) 5.251 13.759 ( 3.315 -2.531 -1.021) 4.294 14.027 ( 1.380 2.793 -1.227) 3.348 14.114 ( 0.070 -5.162 -1.956) 5.521 14.227 ( 10.691 1.078 0.542) 10.759 14.271 ( 11.184 -3.037 0.032) 11.589 14.512 ( 12.266 1.101 -0.143) 12.316 14.545 ( 11.089 -1.204 1.985) 11.330 14.830 ( 13.336 5.497 4.223) 15.030 14.943 ( 9.444 -4.425 -2.945) 10.837 15.175 ( 2.858 4.780 -0.820) 5.629 15.261 ( 4.386 -2.382 0.364) 5.005 15.406 ( 2.639 2.962 5.794) 7.022 15.459 ( 2.770 1.545 7.421) 8.071 15.587 ( -2.784 -0.312 0.063) 2.802 15.645 ( -0.746 -4.910 -4.477) 6.686 15.790 ( 4.131 -1.613 -1.486) 4.677 15.837 ( 0.766 -5.202 -0.978) 5.348 16.185 ( -2.633 1.360 -1.077) 3.153 16.226 ( -5.965 -1.909 0.130) 6.264 16.538 ( 0.647 1.941 2.794) 3.463 16.564 ( 0.278 -0.412 2.837) 2.880 16.800 ( 3.498 4.629 -3.014) 6.539 16.861 ( 4.702 -1.734 -2.803) 5.742 17.332 ( -0.013 2.358 -0.321) 2.380 17.384 ( -0.294 -2.679 1.455) 3.063 17.606 ( 2.020 1.768 -1.353) 3.006 17.634 ( 3.247 -0.951 -2.554) 4.240 18.952 ( -9.818 1.965 -0.004) 10.013 18.989 ( -9.805 -1.669 -0.789) 9.977 19.068 ( -9.416 0.143 -0.341) 9.423 19.084 ( -7.898 -1.440 -0.537) 8.047 25.083 ( 0.894 7.215 1.400) 7.404 25.236 ( 2.524 6.236 -2.541) 7.191 25.254 ( 4.162 -8.959 1.530) 9.997 25.433 ( 6.652 -13.299 -2.415) 15.065 26.908 ( 1.167 1.886 -0.149) 2.223 26.941 ( 1.426 -1.225 -1.048) 2.152 27.001 ( -0.086 4.393 -0.707) 4.450 27.093 ( -0.679 -4.207 -2.092) 4.748 28.000 ( 2.740 10.720 0.340) 11.069 28.078 ( 2.507 5.731 -0.474) 6.273 28.183 ( 4.342 2.089 -1.412) 5.021 28.252 ( 3.805 -1.069 -1.843) 4.361 28.467 ( 1.713 1.918 8.795) 9.163 28.542 ( 4.147 -4.688 9.032) 10.988 28.955 ( 5.677 2.292 0.054) 6.122 29.023 ( 5.639 -4.056 0.002) 6.946 29.185 ( 2.543 7.520 -7.839) 11.156 29.275 ( 7.279 -2.785 -3.805) 8.673 29.501 ( -7.373 3.822 0.628) 8.329 29.583 ( -9.920 -4.254 -4.371) 11.646 29.770 ( -7.736 6.156 -0.953) 9.933 29.930 ( -8.214 -8.157 0.790) 11.603 30.242 ( -4.972 0.810 -1.404) 5.230 30.261 ( -1.523 -0.749 0.690) 1.833 30.505 ( -4.927 0.808 4.400) 6.655 30.550 ( -1.616 -2.946 1.305) 3.605 30.764 ( 0.238 5.548 0.899) 5.625 30.909 ( -1.444 -8.788 1.765) 9.079 ======================= Grid point 52 (30/54) ======================= q-point: ( 0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 5.422 10.437 0.631) 11.778 2.394 ( 5.377 5.134 1.612) 7.607 2.453 ( 2.639 -4.666 3.409) 6.353 2.505 ( 3.054 -3.275 -1.762) 4.812 2.777 ( 10.657 15.440 8.852) 20.744 2.874 ( 3.819 3.893 0.548) 5.481 2.964 ( -3.440 0.870 -1.579) 3.884 3.106 ( 0.127 -13.285 5.557) 14.401 3.139 ( -8.754 -0.425 1.829) 8.953 3.198 ( -4.246 -3.624 2.022) 5.938 3.457 ( -1.019 7.788 -1.050) 7.924 3.638 ( 2.045 -7.721 -2.747) 8.446 3.708 ( 5.984 3.574 -4.276) 8.177 3.744 ( 8.009 2.997 -6.114) 10.512 3.838 ( -1.286 0.698 -2.294) 2.721 3.918 ( 0.007 -0.934 -5.474) 5.553 4.043 ( -0.544 0.083 -1.532) 1.628 4.064 ( -10.373 1.605 -6.022) 12.101 4.101 ( 2.630 0.674 -3.496) 4.426 4.175 ( 0.992 -3.932 -3.259) 5.202 4.258 ( -2.414 4.732 -1.658) 5.565 4.351 ( 6.588 0.964 0.535) 6.679 4.421 ( 5.021 0.425 -0.491) 5.063 4.472 ( 0.169 6.390 -4.143) 7.617 4.560 ( -1.151 -6.932 8.983) 11.405 4.616 ( -3.835 -5.192 -0.391) 6.467 4.678 ( -2.588 6.594 1.189) 7.182 4.793 ( -3.336 -0.262 0.335) 3.363 4.945 ( 5.501 7.299 3.694) 9.858 4.974 ( 7.905 5.408 -0.575) 9.595 5.038 ( 4.802 3.625 1.142) 6.124 5.074 ( 1.977 2.411 4.010) 5.079 5.128 ( -1.176 -2.344 0.845) 2.756 5.172 ( 0.258 3.685 -1.325) 3.924 5.239 ( 5.488 0.807 -3.363) 6.487 5.324 ( 2.941 -2.034 -3.302) 4.868 5.376 ( 5.507 0.036 6.357) 8.410 5.464 ( -7.474 1.661 3.116) 8.266 5.508 ( 7.426 2.314 7.437) 10.761 5.542 ( 1.409 4.826 3.119) 5.917 5.613 ( 3.011 6.206 1.365) 7.031 5.638 ( -1.950 4.597 3.065) 5.859 5.741 ( 1.226 -4.857 0.876) 5.085 5.826 ( -3.716 -4.733 0.299) 6.025 5.851 ( -5.943 -9.405 6.308) 12.789 5.886 ( -6.519 -7.137 -2.719) 10.041 5.979 ( 0.822 4.127 2.139) 4.721 6.008 ( 3.870 7.680 2.368) 8.920 6.153 ( 3.900 -2.005 0.563) 4.421 6.186 ( 1.638 -6.452 2.459) 7.096 6.335 ( 3.902 3.049 -6.450) 8.132 6.391 ( -2.757 1.293 -3.114) 4.356 6.448 ( 1.254 -4.064 0.196) 4.257 6.540 ( 0.464 -4.925 2.766) 5.667 6.600 ( 1.081 -2.495 3.826) 4.694 6.625 ( -2.409 -3.589 -2.388) 4.938 6.726 ( 11.575 7.080 -7.869) 15.686 6.876 ( 3.131 -2.577 -3.211) 5.173 6.929 ( -3.605 2.845 2.992) 5.481 7.016 ( -3.764 -3.933 3.841) 6.663 7.041 ( -3.080 0.609 6.200) 6.949 7.098 ( -2.656 -3.757 3.435) 5.742 7.216 ( -7.242 -4.883 -1.806) 8.919 7.229 ( -11.183 -2.071 -3.742) 11.973 7.301 ( -5.849 0.064 3.641) 6.890 7.419 ( -4.685 -6.068 1.274) 7.771 7.621 ( -1.531 -0.883 -0.561) 1.854 7.624 ( -1.407 -0.504 -2.355) 2.789 7.763 ( -2.530 4.870 -3.319) 6.413 7.854 ( 0.892 -2.033 -0.583) 2.296 7.940 ( -5.109 2.171 -2.533) 6.102 8.008 ( -2.112 -2.155 -3.333) 4.495 8.189 ( 4.493 3.076 -1.263) 5.590 8.270 ( -0.459 -3.834 -2.258) 4.473 8.342 ( -2.605 -0.080 -2.507) 3.617 8.372 ( 0.060 -1.924 -5.560) 5.884 8.468 ( -1.048 0.601 1.682) 2.070 8.487 ( -0.509 -2.168 1.366) 2.613 8.720 ( 1.732 -0.562 3.604) 4.038 8.741 ( 0.715 -2.201 1.842) 2.958 8.836 ( -0.372 -0.059 5.139) 5.153 8.856 ( 0.812 -1.918 4.913) 5.336 9.223 ( 1.437 6.824 -5.088) 8.633 9.277 ( 1.049 0.903 -3.156) 3.447 9.312 ( -0.427 1.710 -0.378) 1.802 9.369 ( -2.790 -2.539 -1.772) 4.168 9.467 ( 2.256 0.838 -4.362) 4.982 9.519 ( 1.600 -2.381 -2.728) 3.959 9.779 ( -3.352 4.339 3.626) 6.574 9.821 ( -0.049 2.025 7.045) 7.330 9.897 ( -3.949 0.305 -0.711) 4.024 9.957 ( -1.402 -4.290 0.055) 4.513 10.056 ( 1.228 3.937 6.022) 7.299 10.148 ( 0.090 -4.124 6.792) 7.946 10.319 ( 0.133 2.144 -1.436) 2.584 10.387 ( -0.951 -1.904 -4.059) 4.584 10.478 ( 5.019 2.669 -3.420) 6.634 10.548 ( 2.446 -1.425 -1.231) 3.087 10.645 ( -3.064 2.744 -2.527) 4.827 10.664 ( -1.498 -0.314 -4.251) 4.518 10.819 ( 4.892 0.694 1.154) 5.074 10.884 ( 2.239 -4.198 1.891) 5.119 11.036 ( 1.766 4.539 0.277) 4.878 11.155 ( 1.764 -4.727 -1.640) 5.305 11.349 ( -7.534 2.795 0.564) 8.055 11.408 ( -6.220 -4.123 -1.637) 7.640 11.556 ( -0.030 1.606 -0.811) 1.800 11.566 ( -4.236 0.275 -1.743) 4.589 11.733 ( 0.266 0.478 4.226) 4.261 11.772 ( 1.142 -3.072 3.475) 4.776 11.906 ( 1.336 2.446 1.249) 3.054 11.934 ( -0.136 0.073 0.985) 0.997 12.351 ( 0.403 7.345 -3.515) 8.153 12.481 ( 1.757 -5.385 -2.889) 6.359 12.740 ( -7.648 3.027 -3.334) 8.875 12.798 ( -6.148 -1.996 -1.164) 6.568 13.019 ( 2.807 4.073 3.166) 5.873 13.102 ( 2.338 -4.740 2.399) 5.804 13.436 ( 0.403 0.837 0.003) 0.929 13.458 ( -2.394 -1.036 -0.536) 2.663 13.712 ( 1.757 5.626 -1.913) 6.197 13.830 ( 3.588 -5.339 -4.944) 8.113 14.021 ( -0.731 1.859 -2.855) 3.485 14.084 ( -2.695 -3.677 -3.506) 5.751 14.431 ( 7.058 0.557 1.210) 7.182 14.453 ( 5.463 -1.563 0.808) 5.739 14.679 ( 4.001 0.843 1.422) 4.329 14.716 ( 5.127 -1.768 -0.969) 5.510 15.044 ( 7.113 1.041 4.497) 8.480 15.067 ( 3.280 -1.391 0.004) 3.563 15.231 ( 2.803 4.973 0.911) 5.781 15.330 ( 0.906 -3.074 0.964) 3.346 15.434 ( -0.612 2.574 3.959) 4.762 15.442 ( -3.893 1.322 3.140) 5.173 15.551 ( 0.238 4.373 1.773) 4.725 15.637 ( 0.588 -4.991 -0.175) 5.029 15.830 ( -0.687 -0.235 -1.189) 1.393 15.860 ( 2.236 -3.126 -2.561) 4.619 16.150 ( -0.475 0.575 -0.066) 0.749 16.198 ( 2.406 -4.668 -1.237) 5.395 16.521 ( -2.364 2.301 1.948) 3.831 16.552 ( -1.614 -0.609 1.123) 2.058 16.846 ( 1.298 5.906 -0.544) 6.071 16.927 ( 1.971 -2.440 -1.806) 3.619 17.345 ( 0.975 1.485 0.296) 1.801 17.377 ( -0.785 -1.618 1.106) 2.111 17.632 ( 0.866 2.590 -1.489) 3.110 17.681 ( 1.859 -2.191 -3.113) 4.236 18.804 ( -4.193 2.051 -0.625) 4.710 18.847 ( -3.777 -2.195 -1.259) 4.546 18.928 ( -4.121 1.065 -0.296) 4.267 18.962 ( -3.858 -2.229 -0.945) 4.555 25.097 ( 0.362 8.789 1.645) 8.949 25.271 ( 0.991 7.296 -2.799) 7.877 25.316 ( 1.915 -11.247 1.982) 11.580 25.523 ( 2.418 -16.654 -2.896) 17.076 26.933 ( 1.251 3.163 -0.599) 3.454 26.967 ( 1.155 -0.551 -1.414) 1.907 26.993 ( -0.611 3.319 0.020) 3.375 27.068 ( -1.616 -3.413 -1.727) 4.153 28.044 ( 1.354 11.980 1.153) 12.111 28.127 ( 2.231 5.115 -0.172) 5.583 28.240 ( 1.308 4.930 -0.625) 5.138 28.309 ( 2.019 0.798 -2.552) 3.350 28.505 ( 1.492 2.755 7.889) 8.488 28.609 ( 1.377 -6.924 8.241) 10.852 29.045 ( -1.562 3.969 -0.887) 4.357 29.096 ( 2.869 -1.411 -3.201) 4.524 29.185 ( 3.096 4.680 -0.867) 5.678 29.323 ( -3.254 -7.056 -3.147) 8.383 29.496 ( 2.064 0.283 -4.963) 5.382 29.513 ( 1.699 -1.289 -2.430) 3.233 29.671 ( 1.409 4.637 4.920) 6.906 29.798 ( -3.646 -7.438 4.558) 9.455 30.100 ( -7.498 2.033 -1.570) 7.925 30.157 ( -7.164 -3.593 -0.602) 8.038 30.452 ( -0.341 3.400 3.410) 4.828 30.534 ( 0.267 -4.484 1.793) 4.837 30.786 ( 0.756 4.643 -1.669) 4.992 30.899 ( -0.474 -6.473 -2.191) 6.850 ======================= Grid point 53 (31/54) ======================= q-point: (-0.43 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.242 ( -9.670 9.150 1.173) 13.364 2.358 ( -9.181 4.244 -0.919) 10.156 2.435 ( -2.288 -1.034 3.777) 4.536 2.582 ( -3.197 -9.449 0.475) 9.986 2.743 ( -4.155 13.168 6.397) 15.218 2.872 ( 1.022 1.324 -1.286) 2.110 2.949 ( -5.354 2.254 1.707) 6.054 3.085 ( 10.185 5.371 2.687) 11.824 3.172 ( 0.267 -8.888 3.800) 9.670 3.221 ( 3.805 -5.379 5.569) 8.627 3.505 ( 4.642 7.337 -2.035) 8.918 3.643 ( -3.967 -2.301 -4.847) 6.672 3.739 ( -11.246 1.340 -7.121) 13.378 3.807 ( -1.213 -0.464 -8.066) 8.170 3.821 ( -1.265 0.363 -2.084) 2.465 3.847 ( -0.549 0.635 -3.663) 3.758 3.906 ( 3.298 5.907 -2.431) 7.189 4.058 ( 2.806 -4.043 0.366) 4.935 4.171 ( 5.189 1.714 -4.758) 7.246 4.254 ( 2.829 4.882 0.620) 5.676 4.274 ( 4.562 -5.356 -2.380) 7.427 4.414 ( -4.985 0.547 -3.823) 6.306 4.474 ( 2.617 6.133 0.045) 6.668 4.478 ( -7.202 -2.382 -1.972) 7.838 4.512 ( 4.118 -5.539 2.525) 7.349 4.628 ( 2.810 -2.348 6.823) 7.744 4.694 ( -0.832 5.471 -1.702) 5.790 4.758 ( 0.691 1.225 0.497) 1.492 4.857 ( -11.251 8.407 3.860) 14.566 4.898 ( -10.870 -0.843 -0.489) 10.913 4.955 ( -2.905 -1.079 -2.169) 3.782 5.053 ( -3.508 -2.465 -2.086) 4.769 5.135 ( -8.361 5.703 7.076) 12.349 5.173 ( 0.892 7.146 2.863) 7.750 5.256 ( 2.226 4.909 -3.490) 6.422 5.326 ( -4.320 -3.038 2.733) 5.946 5.390 ( -3.698 4.295 5.586) 7.958 5.479 ( -1.802 4.831 1.491) 5.367 5.504 ( -5.063 -0.144 3.722) 6.285 5.546 ( -3.803 -1.035 -0.327) 3.954 5.603 ( 7.653 -2.936 3.652) 8.973 5.629 ( 2.103 2.911 -2.414) 4.327 5.662 ( -5.753 -5.615 2.635) 8.460 5.783 ( -3.153 3.203 -3.641) 5.784 5.809 ( -5.967 -0.965 -3.572) 7.021 5.913 ( 1.636 -3.959 5.431) 6.917 5.973 ( 9.590 -0.717 6.378) 11.540 6.058 ( 0.012 5.385 1.457) 5.579 6.133 ( 1.234 -11.767 2.289) 12.051 6.249 ( -7.521 -2.116 0.623) 7.837 6.282 ( 5.271 0.306 -1.900) 5.611 6.378 ( -3.488 -4.171 0.568) 5.467 6.465 ( 1.767 7.130 -3.964) 8.347 6.611 ( -0.277 -3.919 2.303) 4.554 6.663 ( 7.198 -1.298 -1.882) 7.552 6.694 ( 2.439 -4.272 -0.926) 5.006 6.828 ( -0.989 2.259 3.255) 4.084 6.890 ( -6.719 -0.197 1.521) 6.892 6.968 ( 4.138 3.079 2.060) 5.554 6.979 ( 4.752 -3.047 2.816) 6.308 7.095 ( 4.077 3.098 -1.681) 5.390 7.151 ( 7.449 1.610 3.686) 8.466 7.183 ( 2.815 -3.988 -3.386) 5.941 7.222 ( 7.397 -6.028 -3.767) 10.259 7.246 ( 10.215 -0.180 9.297) 13.814 7.358 ( 4.256 -5.903 0.494) 7.294 7.599 ( -1.718 -0.039 -1.398) 2.215 7.646 ( -1.249 -4.045 -2.900) 5.131 7.729 ( 1.920 1.477 -0.719) 2.527 7.808 ( -3.973 -5.096 -4.821) 8.062 7.884 ( 1.430 5.537 -3.051) 6.481 7.977 ( -0.504 -2.589 -4.236) 4.990 8.263 ( 1.199 0.760 -2.948) 3.272 8.285 ( -1.559 -1.271 -1.793) 2.695 8.321 ( 2.913 1.301 1.381) 3.477 8.357 ( 0.807 -1.721 -4.437) 4.827 8.471 ( 2.161 0.455 0.364) 2.238 8.495 ( 0.887 -1.374 0.040) 1.636 8.777 ( 4.211 -0.431 3.948) 5.788 8.791 ( 4.080 -1.270 2.641) 5.023 8.833 ( -0.499 0.891 5.290) 5.388 8.883 ( 0.701 -3.561 6.636) 7.563 9.245 ( -0.284 4.527 -4.793) 6.599 9.268 ( -2.856 1.113 -2.893) 4.215 9.311 ( -1.074 1.482 -1.923) 2.655 9.321 ( 0.148 -0.594 -0.702) 0.932 9.505 ( 1.763 1.006 -4.784) 5.197 9.539 ( 1.166 -2.622 -6.394) 7.009 9.684 ( -5.466 4.060 4.419) 8.117 9.779 ( -4.386 -4.308 5.526) 8.266 9.854 ( 0.426 4.095 1.309) 4.320 9.940 ( -0.387 -3.890 -0.489) 3.940 10.109 ( 3.461 3.827 6.824) 8.555 10.173 ( 1.784 -2.481 6.301) 7.003 10.289 ( -2.047 4.807 -2.213) 5.674 10.395 ( -1.309 -4.928 -1.985) 5.472 10.517 ( -1.057 2.233 -2.259) 3.348 10.532 ( -3.475 -0.008 -0.941) 3.600 10.607 ( 1.486 2.541 -4.140) 5.079 10.679 ( 2.902 -3.712 -4.900) 6.798 10.873 ( -1.930 2.202 0.124) 2.930 10.900 ( 0.520 -0.091 2.375) 2.433 11.100 ( 3.406 1.890 2.921) 4.869 11.154 ( -0.909 -1.190 -2.210) 2.670 11.227 ( -2.822 2.256 -0.390) 3.634 11.315 ( -1.636 -6.016 -3.451) 7.126 11.575 ( 5.238 1.476 -1.412) 5.623 11.619 ( 2.529 -2.443 -1.743) 3.925 11.668 ( -3.724 3.082 4.170) 6.384 11.752 ( -1.192 -5.104 1.707) 5.512 11.958 ( 1.818 3.421 3.565) 5.264 11.995 ( 4.230 0.193 2.472) 4.904 12.418 ( 7.124 8.605 -1.217) 11.237 12.553 ( 5.009 -2.861 -5.022) 7.648 12.652 ( -0.577 1.156 -0.588) 1.419 12.721 ( -1.706 -3.515 -3.600) 5.313 13.079 ( 1.609 2.260 3.742) 4.659 13.116 ( 0.079 -1.055 2.032) 2.290 13.423 ( -0.312 0.708 -0.270) 0.820 13.459 ( 2.343 -2.447 -0.593) 3.440 13.723 ( -0.624 6.469 -2.035) 6.810 13.865 ( -0.545 -6.011 -4.214) 7.361 13.988 ( -4.374 -1.133 -5.340) 6.995 14.008 ( -3.714 -2.106 -2.612) 5.006 14.445 ( -6.167 0.484 1.570) 6.382 14.457 ( -4.431 -0.586 0.954) 4.570 14.670 ( -5.177 0.723 0.070) 5.228 14.707 ( -5.465 -2.945 0.726) 6.250 15.051 ( -4.357 6.391 1.444) 7.868 15.123 ( 0.812 -1.614 1.624) 2.429 15.261 ( -1.135 0.693 4.702) 4.886 15.309 ( -1.573 -2.161 2.434) 3.615 15.368 ( -3.592 1.511 -1.452) 4.159 15.382 ( -4.390 0.105 0.304) 4.402 15.530 ( -2.666 6.573 2.600) 7.555 15.690 ( 3.458 -8.491 1.751) 9.333 15.828 ( 0.424 2.665 -1.260) 2.978 15.883 ( 0.985 -2.601 -1.889) 3.362 16.181 ( 2.577 0.727 0.450) 2.715 16.245 ( 1.962 -5.341 -0.812) 5.747 16.458 ( -3.718 3.773 0.695) 5.343 16.510 ( -2.169 -0.964 0.549) 2.437 16.853 ( -0.593 5.673 -0.277) 5.711 16.935 ( -0.982 -2.495 -1.597) 3.121 17.354 ( -0.868 0.244 0.159) 0.916 17.364 ( 0.660 -0.688 1.045) 1.414 17.646 ( 0.483 3.282 -1.264) 3.550 17.709 ( 0.974 -2.959 -2.259) 3.848 18.808 ( 4.515 2.287 -0.492) 5.086 18.856 ( 4.518 -2.350 -1.165) 5.224 18.925 ( 3.813 0.694 -0.508) 3.909 18.951 ( 2.975 -1.933 -1.041) 3.698 25.097 ( -0.490 8.945 1.607) 9.101 25.269 ( -1.037 5.999 -2.517) 6.588 25.322 ( -1.451 -10.472 1.891) 10.740 25.521 ( -2.593 -16.442 -3.050) 16.922 26.945 ( -0.509 4.945 -0.818) 5.038 26.972 ( -0.014 1.526 -0.024) 1.526 26.994 ( 0.451 -0.483 -0.594) 0.889 27.035 ( -1.389 -3.257 -2.510) 4.340 28.048 ( -0.881 12.189 1.297) 12.290 28.155 ( 0.491 3.224 0.130) 3.264 28.226 ( -2.686 7.559 -0.978) 8.082 28.323 ( -0.722 0.412 -2.940) 3.055 28.508 ( -2.235 2.283 7.961) 8.578 28.590 ( -2.596 -6.302 9.571) 11.749 28.986 ( -1.907 1.683 -4.279) 4.978 29.049 ( -6.615 -3.457 -1.502) 7.614 29.247 ( -0.443 5.905 -2.950) 6.615 29.359 ( 4.328 -2.820 0.150) 5.168 29.448 ( -4.714 1.342 -3.861) 6.239 29.508 ( 3.613 -3.905 -2.724) 5.977 29.801 ( 3.103 0.980 4.351) 5.434 29.844 ( 9.302 -2.608 9.107) 13.276 30.038 ( 1.977 1.094 -4.299) 4.857 30.103 ( 3.862 -4.948 -3.117) 7.008 30.470 ( 2.144 3.996 4.233) 6.204 30.557 ( 2.011 -4.337 2.585) 5.434 30.772 ( -2.343 3.744 -1.969) 4.836 30.867 ( -2.905 -5.578 -3.509) 7.202 ======================= Grid point 54 (32/54) ======================= q-point: (-0.29 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.936 ( -20.094 13.092 4.669) 24.433 2.085 ( -14.202 1.952 1.376) 14.402 2.265 ( -16.108 3.844 3.171) 16.861 2.475 ( -7.146 -13.394 2.100) 15.326 2.725 ( 2.654 9.419 4.720) 10.864 2.901 ( 1.725 -3.718 1.275) 4.292 3.031 ( 7.498 9.445 4.119) 12.743 3.164 ( -2.553 -0.628 0.597) 2.696 3.208 ( 3.458 -1.768 -0.543) 3.921 3.282 ( 1.839 -4.081 -4.349) 6.241 3.395 ( -10.389 3.227 -12.479) 16.555 3.453 ( -9.386 -4.320 -5.367) 11.643 3.654 ( -11.206 4.633 5.253) 13.215 3.693 ( -2.640 1.641 -5.939) 6.703 3.778 ( -4.679 1.983 7.907) 9.399 3.857 ( 3.425 -2.037 -0.871) 4.079 3.986 ( 0.411 8.488 -1.190) 8.581 4.111 ( -4.961 -0.352 -2.361) 5.505 4.134 ( -14.903 10.434 5.520) 19.011 4.221 ( -6.025 -0.882 1.459) 6.261 4.306 ( 7.089 0.858 -4.789) 8.598 4.340 ( 4.411 1.602 -5.317) 7.092 4.387 ( -6.775 4.221 -3.338) 8.653 4.480 ( 5.598 4.008 -0.397) 6.896 4.534 ( 1.353 -1.033 3.373) 3.778 4.611 ( -4.376 -3.516 -0.560) 5.641 4.675 ( 0.221 -1.713 7.258) 7.461 4.722 ( -0.689 -0.953 4.619) 4.767 4.806 ( -1.115 2.570 -4.750) 5.514 4.860 ( 4.311 0.139 0.246) 4.320 4.940 ( -0.805 -3.965 -2.422) 4.715 4.990 ( -2.496 -9.004 2.684) 9.722 5.043 ( -1.725 2.207 1.978) 3.429 5.125 ( -6.401 -4.955 6.000) 10.076 5.180 ( -3.966 2.429 1.847) 5.004 5.231 ( -5.622 -4.078 4.339) 8.189 5.324 ( -4.335 2.270 0.817) 4.961 5.343 ( -9.705 7.204 -2.556) 12.354 5.374 ( -1.504 2.817 7.653) 8.292 5.448 ( -3.813 -2.996 -0.045) 4.850 5.607 ( -5.466 4.213 7.674) 10.321 5.625 ( 0.903 6.131 -6.048) 8.660 5.703 ( -2.933 3.347 -5.152) 6.808 5.799 ( 3.458 -1.207 -3.522) 5.081 5.868 ( 5.591 -7.544 -0.437) 9.400 5.879 ( 0.854 -5.861 -3.901) 7.092 6.007 ( -2.578 4.881 4.631) 7.206 6.083 ( 4.109 5.008 3.372) 7.303 6.169 ( 4.880 -1.144 4.596) 6.801 6.261 ( 2.814 2.085 -5.725) 6.712 6.355 ( 4.525 3.000 -4.760) 7.221 6.441 ( 6.753 -5.456 -1.685) 8.844 6.492 ( 0.423 4.889 -6.992) 8.542 6.612 ( -0.119 -2.758 2.174) 3.514 6.642 ( -2.804 -5.297 -5.880) 8.396 6.679 ( -1.975 -9.277 -4.697) 10.584 6.824 ( 5.853 2.059 3.062) 6.919 6.913 ( 2.700 -2.845 5.283) 6.580 6.954 ( -2.053 2.720 -0.852) 3.513 7.059 ( 3.837 -4.746 5.537) 8.240 7.149 ( 2.644 1.873 0.161) 3.244 7.200 ( 1.782 -3.219 -3.635) 5.172 7.323 ( 4.583 1.153 0.289) 4.735 7.397 ( 0.276 -4.693 -1.208) 4.854 7.479 ( 7.890 0.376 2.958) 8.434 7.553 ( 11.888 -4.504 1.347) 12.784 7.635 ( 7.004 0.804 2.054) 7.343 7.663 ( 10.259 -1.098 2.058) 10.521 7.776 ( 2.872 1.312 1.022) 3.319 7.809 ( 1.426 -1.966 -3.344) 4.133 7.945 ( 3.465 3.120 0.802) 4.731 8.011 ( 4.442 -3.093 1.886) 5.732 8.235 ( -2.811 -0.054 -4.125) 4.992 8.239 ( -3.535 0.087 -3.265) 4.813 8.364 ( 1.183 4.193 4.510) 6.270 8.393 ( 2.919 1.615 -3.094) 4.550 8.523 ( 2.144 -0.069 2.205) 3.077 8.572 ( 6.555 -4.837 3.267) 8.777 8.831 ( 0.698 1.276 3.935) 4.195 8.863 ( 2.877 -0.469 1.027) 3.091 8.872 ( 2.484 -2.248 0.682) 3.419 8.907 ( 2.415 -4.813 4.482) 7.006 9.144 ( -7.610 1.742 -2.333) 8.148 9.188 ( -4.338 -1.312 -3.708) 5.856 9.288 ( -1.342 2.138 -2.107) 3.288 9.323 ( -1.422 -0.162 -2.428) 2.818 9.516 ( -2.089 4.328 1.575) 5.057 9.545 ( 1.031 -0.308 -2.968) 3.157 9.646 ( 1.777 1.648 -1.680) 2.949 9.728 ( -0.118 -5.590 3.578) 6.639 9.887 ( 2.352 2.067 1.630) 3.530 9.938 ( -0.366 -2.737 0.170) 2.767 10.172 ( 2.033 2.752 5.444) 6.430 10.191 ( -0.713 1.215 2.199) 2.612 10.264 ( -0.277 2.100 0.351) 2.147 10.325 ( -3.717 -2.487 -0.588) 4.511 10.480 ( -0.165 2.035 0.237) 2.055 10.527 ( 0.027 -2.595 0.606) 2.665 10.616 ( -0.316 5.081 -5.765) 7.691 10.689 ( -0.204 -0.406 -3.619) 3.648 10.860 ( 1.445 -0.164 -1.160) 1.860 10.893 ( -0.278 -1.887 2.945) 3.509 11.100 ( -1.207 5.979 -2.293) 6.516 11.174 ( 1.638 -0.976 1.320) 2.319 11.280 ( 6.914 2.252 0.320) 7.279 11.376 ( 6.821 -6.228 -3.691) 9.947 11.578 ( -0.816 0.978 0.202) 1.290 11.622 ( -2.102 -2.497 -1.218) 3.484 11.718 ( 5.944 0.801 0.924) 6.068 11.777 ( 2.672 -4.554 1.100) 5.394 12.011 ( 3.726 4.795 4.890) 7.797 12.064 ( 3.158 -0.010 2.559) 4.064 12.567 ( 2.830 6.162 -1.772) 7.009 12.626 ( 7.098 4.806 -9.037) 12.456 12.688 ( 0.916 -2.509 0.477) 2.714 12.779 ( 8.508 -6.343 0.488) 10.623 13.052 ( -2.127 5.086 -2.282) 5.967 13.142 ( 0.371 -3.325 -0.393) 3.369 13.435 ( 0.099 2.496 0.397) 2.530 13.501 ( 0.977 -1.955 -0.987) 2.398 13.675 ( -5.956 4.013 0.252) 7.186 13.787 ( -7.717 -2.766 1.764) 8.385 13.873 ( -3.241 -1.947 -6.410) 7.442 13.925 ( -5.575 -5.494 -3.311) 8.499 14.271 ( -9.979 0.979 1.207) 10.099 14.302 ( -9.860 -1.868 0.295) 10.040 14.489 ( -11.337 3.252 0.818) 11.823 14.556 ( -9.227 -3.567 1.133) 9.958 14.891 ( -11.742 11.164 2.749) 16.434 15.090 ( -4.453 -6.619 -1.283) 8.080 15.199 ( -4.921 2.078 1.143) 5.463 15.234 ( -7.058 -2.539 1.745) 7.701 15.293 ( -3.266 0.148 1.123) 3.457 15.295 ( -3.785 -1.151 3.362) 5.192 15.517 ( 1.793 8.787 -2.138) 9.220 15.707 ( -1.380 -8.443 -1.027) 8.616 15.845 ( 0.331 0.263 1.101) 1.180 15.886 ( -1.068 -2.955 -0.407) 3.168 16.230 ( 2.495 0.939 -0.686) 2.753 16.283 ( 2.409 -4.257 1.041) 5.001 16.400 ( -1.596 6.026 -0.649) 6.268 16.492 ( 0.446 -2.448 1.572) 2.943 16.821 ( -2.546 4.799 -1.360) 5.601 16.895 ( -2.935 -2.350 -1.956) 4.238 17.351 ( 0.771 1.247 -0.008) 1.466 17.382 ( 1.098 -1.857 1.345) 2.542 17.633 ( -2.141 3.277 -0.911) 4.019 17.702 ( -2.042 -3.710 -1.103) 4.376 18.954 ( 9.432 2.122 0.093) 9.668 18.997 ( 9.111 -1.978 -0.865) 9.363 19.060 ( 9.165 0.027 -0.735) 9.194 19.071 ( 8.712 -1.086 -0.467) 8.792 25.083 ( -0.793 7.551 1.391) 7.719 25.233 ( -2.365 3.650 -1.960) 4.770 25.264 ( -4.325 -7.500 1.321) 8.757 25.425 ( -6.805 -12.875 -2.818) 14.833 26.919 ( -1.618 3.400 -0.023) 3.766 26.965 ( -1.495 0.370 -0.583) 1.647 26.991 ( 0.042 -0.078 0.081) 0.120 27.031 ( 0.805 -2.250 -3.976) 4.639 28.018 ( -2.120 11.442 0.970) 11.677 28.138 ( -3.373 9.366 -3.377) 10.512 28.154 ( -2.974 -1.419 2.144) 3.931 28.263 ( -5.251 -2.172 -4.099) 7.007 28.453 ( -2.384 2.246 10.637) 11.130 28.543 ( -2.878 -5.173 10.175) 11.771 28.923 ( -5.119 0.562 -2.019) 5.531 28.959 ( -1.999 -1.966 -2.119) 3.515 29.163 ( -5.444 6.416 -5.746) 10.189 29.252 ( -7.943 -2.150 -4.348) 9.307 29.571 ( 10.067 2.345 0.021) 10.336 29.637 ( 7.649 -4.772 -3.238) 9.579 29.877 ( 6.682 6.464 1.831) 9.475 30.020 ( 7.844 -6.680 1.039) 10.355 30.151 ( 7.426 2.054 0.130) 7.706 30.213 ( 4.765 -3.552 -2.795) 6.568 30.560 ( 6.266 2.451 6.574) 9.407 30.629 ( 5.165 -3.566 5.960) 8.655 30.696 ( -4.647 3.185 -2.133) 6.024 30.786 ( -4.299 -5.474 -2.603) 7.431 ======================= Grid point 55 (33/54) ======================= q-point: (-0.14 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -11.720 23.321 5.998) 26.781 1.771 ( -16.278 24.218 7.926) 30.237 2.055 ( -2.306 -18.416 -2.020) 18.670 2.270 ( -11.174 -22.560 4.085) 25.505 2.804 ( 0.297 3.763 4.387) 5.787 2.890 ( -10.382 -0.071 8.974) 13.723 2.976 ( -5.571 16.617 5.811) 18.464 3.049 ( -9.180 5.851 -3.465) 11.424 3.105 ( -9.396 3.589 -4.639) 11.076 3.224 ( -4.882 1.652 -8.174) 9.663 3.367 ( 7.554 0.353 1.629) 7.736 3.380 ( -0.025 -2.745 -3.579) 4.510 3.571 ( 1.082 3.347 4.161) 5.448 3.623 ( 2.109 2.066 2.158) 3.657 3.751 ( -2.381 9.165 1.007) 9.522 3.866 ( -0.258 4.427 -0.874) 4.519 3.944 ( -1.195 -0.658 0.195) 1.378 3.992 ( -4.304 1.287 -1.685) 4.798 4.010 ( 1.919 1.696 -0.081) 2.562 4.103 ( -2.438 -5.968 1.078) 6.536 4.268 ( -3.664 1.577 1.448) 4.243 4.374 ( -7.199 -7.591 0.525) 10.475 4.415 ( -0.014 4.971 2.010) 5.362 4.518 ( -0.061 -2.738 -3.304) 4.291 4.560 ( -2.471 3.634 5.817) 7.291 4.621 ( -1.175 1.061 5.593) 5.813 4.655 ( -4.624 0.903 1.963) 5.104 4.661 ( 1.399 0.033 -1.805) 2.283 4.754 ( -0.729 -3.333 -1.142) 3.598 4.856 ( -3.390 -8.520 -0.580) 9.188 4.943 ( -2.028 -2.566 -1.878) 3.771 4.976 ( -0.842 1.072 -4.209) 4.424 4.996 ( -0.330 -2.355 0.812) 2.513 5.029 ( -3.469 2.321 2.643) 4.940 5.061 ( -2.462 -0.977 -1.797) 3.200 5.142 ( -1.209 -2.977 -1.637) 3.606 5.230 ( -3.453 8.693 1.227) 9.434 5.331 ( 1.120 0.671 0.855) 1.561 5.393 ( -1.673 2.063 1.448) 3.025 5.453 ( 2.627 -1.700 4.658) 5.611 5.519 ( 1.456 1.929 6.365) 6.809 5.642 ( -0.422 2.468 -6.197) 6.684 5.657 ( -1.229 -8.990 2.531) 9.420 5.681 ( -3.178 -1.147 -2.688) 4.318 5.987 ( 2.679 8.123 -2.349) 8.870 6.006 ( 4.051 1.131 -4.308) 6.021 6.028 ( 3.786 1.427 -6.014) 7.248 6.121 ( -3.499 -1.081 -2.737) 4.572 6.263 ( 5.828 7.625 -5.775) 11.201 6.289 ( 4.382 6.493 -1.108) 7.911 6.425 ( 4.482 1.305 -9.453) 10.543 6.514 ( 0.894 1.680 -0.305) 1.927 6.537 ( 1.468 -1.340 -4.597) 5.008 6.633 ( 1.881 -9.866 2.616) 10.379 6.651 ( 3.444 -6.933 -1.660) 7.917 6.708 ( 3.308 -8.688 -5.410) 10.755 6.920 ( 1.227 5.370 3.094) 6.318 6.971 ( 5.743 2.295 2.543) 6.687 7.005 ( 3.137 -2.842 0.959) 4.340 7.086 ( 2.498 -7.853 1.410) 8.361 7.190 ( 0.912 2.044 1.232) 2.554 7.255 ( 2.191 -3.081 3.784) 5.349 7.339 ( -0.129 -3.723 -3.093) 4.842 7.369 ( 1.805 -4.318 -0.603) 4.719 7.611 ( 3.502 0.416 0.144) 3.530 7.642 ( -2.268 -2.442 0.410) 3.358 7.756 ( 2.997 3.573 -6.289) 7.830 7.819 ( 2.442 -2.370 -5.354) 6.344 7.850 ( 2.206 1.947 3.350) 4.459 7.882 ( 3.371 -0.830 5.727) 6.697 8.003 ( 4.004 5.603 6.653) 9.576 8.098 ( 3.495 -3.220 6.240) 7.844 8.173 ( -2.326 0.692 -3.054) 3.901 8.188 ( 1.051 -0.424 -1.417) 1.814 8.385 ( 0.124 5.227 3.813) 6.471 8.436 ( 0.316 -0.451 2.231) 2.298 8.568 ( 1.150 0.452 9.781) 9.859 8.679 ( 3.264 -8.386 4.277) 9.963 8.816 ( -4.322 2.008 -1.721) 5.067 8.847 ( -3.504 -0.697 -5.161) 6.277 8.901 ( 2.007 -1.652 1.285) 2.899 8.914 ( 1.361 -3.744 3.995) 5.642 9.122 ( 4.761 1.072 3.123) 5.794 9.164 ( 2.303 -1.533 -1.579) 3.185 9.246 ( -1.591 1.285 -2.932) 3.575 9.272 ( -2.931 0.367 -3.695) 4.730 9.471 ( -3.021 4.239 3.741) 6.410 9.556 ( -0.604 -2.683 2.214) 3.530 9.708 ( 3.629 3.036 -4.097) 6.258 9.757 ( 1.166 -3.546 -1.876) 4.178 9.878 ( -3.203 0.307 0.808) 3.318 9.934 ( 1.543 -4.494 2.741) 5.486 10.163 ( -1.296 3.434 4.099) 5.502 10.198 ( -0.023 -0.048 0.641) 0.643 10.264 ( -0.073 0.735 1.196) 1.406 10.279 ( -0.411 -0.479 0.419) 0.758 10.481 ( -0.307 1.799 -2.068) 2.758 10.513 ( -0.855 -1.259 0.012) 1.522 10.619 ( 0.845 7.740 -5.048) 9.279 10.775 ( 3.193 -6.480 -6.091) 9.449 10.865 ( 4.370 5.793 3.778) 8.181 10.946 ( 4.368 -2.105 5.445) 7.291 11.081 ( -1.024 5.105 -1.396) 5.390 11.169 ( -3.156 -1.846 -2.150) 4.242 11.439 ( 8.590 3.825 -3.253) 9.950 11.537 ( 7.916 -4.621 -6.882) 11.463 11.627 ( 4.279 -0.472 0.728) 4.366 11.635 ( 6.385 -1.281 0.925) 6.578 11.815 ( 4.349 -0.399 3.927) 5.873 11.849 ( 4.699 -3.555 4.816) 7.610 12.081 ( 2.544 3.721 2.997) 5.413 12.120 ( 1.976 -0.018 1.233) 2.329 12.557 ( -2.014 4.953 -7.833) 9.484 12.649 ( -2.845 -4.304 -7.869) 9.409 12.803 ( 5.698 5.341 4.297) 8.914 12.904 ( -0.729 -4.529 1.220) 4.746 13.014 ( 0.416 3.592 -3.587) 5.093 13.108 ( -3.525 -4.708 -6.733) 8.940 13.353 ( -5.989 3.283 -4.369) 8.107 13.429 ( -6.584 -3.700 -3.390) 8.279 13.594 ( -1.885 4.288 6.248) 7.809 13.628 ( -6.126 2.364 3.271) 7.336 13.822 ( -2.721 -2.499 -2.662) 4.553 13.878 ( 1.381 -5.730 -1.208) 6.017 14.074 ( -10.196 1.546 0.383) 10.320 14.119 ( -7.989 -2.466 0.941) 8.414 14.326 ( -4.169 3.947 1.665) 5.978 14.403 ( -5.244 -3.652 1.360) 6.534 14.656 ( -10.583 13.824 3.738) 17.807 14.922 ( -12.111 -10.777 -3.290) 16.543 15.100 ( -2.370 1.581 -0.077) 2.850 15.114 ( -3.697 0.232 -0.687) 3.768 15.239 ( -2.269 0.854 3.185) 4.003 15.256 ( -1.558 -0.478 3.201) 3.592 15.569 ( 2.914 4.873 -2.264) 6.112 15.679 ( -0.623 -3.416 -0.745) 3.551 15.811 ( -3.614 -2.973 -0.571) 4.714 15.846 ( -2.580 -4.349 -1.814) 5.372 16.285 ( 3.432 2.711 -0.586) 4.413 16.338 ( 2.450 0.589 2.152) 3.314 16.405 ( 2.162 2.566 -1.504) 3.677 16.512 ( 0.773 -4.610 1.500) 4.909 16.760 ( -3.352 4.213 -0.712) 5.431 16.823 ( -4.331 -2.067 -0.906) 4.884 17.383 ( 2.397 1.197 0.437) 2.714 17.407 ( 1.350 -1.225 1.191) 2.178 17.566 ( -4.134 2.306 -0.617) 4.774 17.624 ( -5.551 -3.802 -0.477) 6.745 19.130 ( 7.390 1.840 1.044) 7.687 19.170 ( 7.385 -2.084 0.953) 7.732 19.237 ( 8.096 0.543 -1.293) 8.216 19.250 ( 8.244 -0.729 -0.841) 8.319 25.075 ( 0.008 4.717 1.086) 4.840 25.173 ( -4.440 -4.159 1.120) 6.186 25.185 ( -2.201 2.130 -1.799) 3.552 25.277 ( -7.210 -6.126 -1.774) 9.625 26.894 ( -0.757 1.480 -0.057) 1.663 26.929 ( -1.788 -1.576 -0.159) 2.389 26.994 ( 0.050 2.032 -0.855) 2.205 27.049 ( 1.183 -2.825 -4.081) 5.102 27.976 ( -1.964 9.815 0.716) 10.036 28.056 ( -3.411 7.045 -2.558) 8.235 28.106 ( -2.826 -2.230 1.234) 3.806 28.157 ( -4.142 -2.688 -3.231) 5.901 28.429 ( -0.836 1.685 10.451) 10.619 28.489 ( -2.818 -3.467 10.086) 11.031 28.845 ( -2.637 2.474 -1.167) 3.799 28.909 ( -2.713 -3.523 -1.411) 4.665 29.083 ( -2.364 5.427 -5.755) 8.256 29.132 ( -3.638 -0.285 -4.068) 5.465 29.746 ( 6.401 -0.615 -4.839) 8.048 29.772 ( 6.894 -2.874 -5.161) 9.079 30.056 ( 9.834 6.058 -1.065) 11.600 30.137 ( 4.057 -1.896 -3.519) 5.696 30.252 ( 3.443 0.970 -1.122) 3.749 30.301 ( 4.593 -3.415 -1.240) 5.856 30.534 ( -7.934 -0.621 -2.784) 8.431 30.553 ( -9.003 -2.615 -3.303) 9.940 30.798 ( 8.424 0.904 12.043) 14.725 30.842 ( 8.981 -3.485 11.854) 15.275 ======================= Grid point 70 (34/54) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( 10.927 0.000 34.810) 36.485 1.509 ( -1.384 0.000 36.610) 36.636 2.065 ( -13.899 0.000 -26.756) 30.151 2.082 ( 2.330 0.000 0.959) 2.520 2.338 ( 0.589 0.000 4.670) 4.707 2.660 ( 9.922 0.000 -10.528) 14.467 2.806 ( -6.584 0.000 2.253) 6.959 2.860 ( 2.140 0.000 -1.791) 2.791 3.050 ( 4.201 0.000 5.173) 6.664 3.199 ( -6.804 0.000 -10.914) 12.861 3.339 ( 3.802 0.000 19.279) 19.651 3.423 ( 0.197 0.000 0.728) 0.754 3.447 ( 1.852 0.000 -0.961) 2.086 3.700 ( -3.660 0.000 4.123) 5.513 3.732 ( 6.563 0.000 -4.596) 8.012 3.748 ( 2.560 0.000 5.028) 5.643 3.845 ( 0.369 0.000 2.197) 2.228 3.958 ( -10.296 0.000 -8.777) 13.529 3.976 ( 7.218 0.000 0.436) 7.231 4.012 ( 2.837 0.000 1.824) 3.372 4.088 ( -3.617 0.000 -7.036) 7.911 4.113 ( -11.044 0.000 -9.038) 14.270 4.283 ( 1.192 0.000 -1.922) 2.262 4.373 ( 2.105 0.000 -17.606) 17.731 4.582 ( 2.940 0.000 9.828) 10.258 4.638 ( 0.060 0.000 3.187) 3.188 4.639 ( 5.595 0.000 4.500) 7.180 4.677 ( 1.416 0.000 4.979) 5.177 4.741 ( -14.935 0.000 -6.708) 16.372 4.771 ( 2.015 0.000 6.033) 6.360 4.945 ( 10.007 0.000 0.931) 10.050 4.946 ( 2.784 0.000 -6.148) 6.749 5.011 ( -6.996 0.000 4.891) 8.536 5.093 ( -8.076 0.000 -1.533) 8.220 5.140 ( -1.757 0.000 0.393) 1.801 5.172 ( -0.771 0.000 -4.892) 4.953 5.280 ( -4.025 0.000 6.694) 7.811 5.405 ( -1.256 0.000 -2.395) 2.704 5.431 ( 3.393 0.000 8.337) 9.001 5.479 ( 6.270 0.000 -2.594) 6.785 5.558 ( 0.066 0.000 3.668) 3.669 5.625 ( 2.046 0.000 2.246) 3.038 5.651 ( -0.650 0.000 -1.883) 1.992 5.682 ( 5.109 0.000 -5.503) 7.509 5.721 ( -6.174 0.000 -0.246) 6.179 5.794 ( 0.079 0.000 -9.113) 9.113 5.984 ( -5.465 0.000 1.711) 5.727 6.042 ( 6.945 0.000 -3.254) 7.670 6.135 ( 5.052 0.000 -0.592) 5.087 6.139 ( -2.421 0.000 0.964) 2.606 6.377 ( 1.484 0.000 3.487) 3.789 6.398 ( -2.744 0.000 1.888) 3.331 6.765 ( 8.210 0.000 3.381) 8.878 6.811 ( 0.453 0.000 -0.497) 0.673 6.818 ( -2.970 0.000 -0.485) 3.009 6.836 ( -3.976 0.000 -4.507) 6.010 7.005 ( 1.091 0.000 3.424) 3.594 7.086 ( -1.059 0.000 4.351) 4.478 7.119 ( -0.323 0.000 -9.373) 9.379 7.209 ( 2.094 0.000 -6.421) 6.754 7.279 ( -5.338 0.000 0.937) 5.420 7.363 ( 0.628 0.000 -8.096) 8.120 7.430 ( 1.833 0.000 3.332) 3.803 7.494 ( -3.707 0.000 -3.295) 4.960 7.584 ( 6.272 0.000 4.174) 7.534 7.635 ( -4.329 0.000 -0.634) 4.375 7.680 ( -4.342 0.000 1.747) 4.680 7.731 ( 2.464 0.000 -0.411) 2.498 7.891 ( 6.159 0.000 5.040) 7.958 7.977 ( -8.821 0.000 -2.224) 9.097 8.058 ( 5.443 0.000 8.663) 10.231 8.148 ( -2.268 0.000 1.447) 2.691 8.185 ( -2.423 0.000 -3.320) 4.110 8.187 ( 1.029 0.000 -2.565) 2.764 8.422 ( 0.666 0.000 8.799) 8.824 8.560 ( 3.394 0.000 -3.760) 5.065 8.742 ( 0.239 0.000 -1.439) 1.458 8.751 ( 0.142 0.000 -2.232) 2.236 8.770 ( 0.773 0.000 1.860) 2.014 8.801 ( -3.966 0.000 -0.537) 4.002 8.943 ( -4.246 0.000 1.329) 4.449 8.968 ( 0.288 0.000 -0.497) 0.575 9.207 ( 4.881 0.000 -0.618) 4.920 9.223 ( -0.344 0.000 -0.986) 1.045 9.405 ( -1.064 0.000 2.609) 2.817 9.424 ( -2.972 0.000 -0.039) 2.973 9.485 ( 5.275 0.000 3.053) 6.094 9.581 ( -0.987 0.000 -5.700) 5.785 9.667 ( -3.224 0.000 9.201) 9.750 9.851 ( 1.352 0.000 -8.009) 8.123 9.940 ( 0.596 0.000 -0.183) 0.624 9.953 ( 0.009 0.000 -1.681) 1.681 10.062 ( -5.500 0.000 1.166) 5.623 10.070 ( 3.539 0.000 0.456) 3.568 10.219 ( 1.468 0.000 1.309) 1.967 10.248 ( 2.718 0.000 -2.704) 3.834 10.400 ( -1.352 0.000 3.889) 4.118 10.464 ( 6.816 0.000 2.557) 7.279 10.465 ( 0.675 0.000 -3.543) 3.606 10.546 ( -2.738 0.000 -4.166) 4.986 10.891 ( -1.785 0.000 3.004) 3.495 10.952 ( -0.266 0.000 -2.546) 2.560 11.208 ( 0.025 0.000 12.519) 12.519 11.349 ( -3.384 0.000 7.815) 8.517 11.441 ( -0.800 0.000 -10.346) 10.377 11.489 ( 3.428 0.000 -5.631) 6.593 11.768 ( -2.156 0.000 2.351) 3.190 11.826 ( 2.364 0.000 -3.166) 3.951 11.915 ( -6.691 0.000 0.720) 6.730 11.922 ( 4.226 0.000 0.788) 4.298 12.159 ( -0.636 0.000 5.807) 5.841 12.302 ( 2.735 0.000 -7.830) 8.294 12.437 ( -9.085 0.000 -1.903) 9.282 12.453 ( -1.153 0.000 -2.961) 3.177 12.950 ( 0.829 0.000 0.219) 0.857 12.953 ( -4.576 0.000 -0.411) 4.595 13.070 ( 4.703 0.000 3.606) 5.927 13.145 ( 21.870 0.000 -2.772) 22.045 13.265 ( 3.949 0.000 1.024) 4.080 13.267 ( -9.236 0.000 -0.887) 9.278 13.343 ( -4.528 0.000 1.321) 4.717 13.406 ( -0.052 0.000 -4.213) 4.213 13.903 ( 5.672 0.000 2.898) 6.369 13.943 ( -1.608 0.000 -0.903) 1.844 14.014 ( 7.078 0.000 1.599) 7.256 14.057 ( -11.467 0.000 -2.913) 11.831 14.259 ( -3.672 0.000 5.370) 6.505 14.328 ( 8.909 0.000 5.601) 10.524 14.335 ( 2.565 0.000 -2.134) 3.337 14.448 ( -5.059 0.000 -6.861) 8.525 15.171 ( -2.407 0.000 1.268) 2.721 15.189 ( 2.964 0.000 -0.377) 2.988 15.312 ( 4.257 0.000 3.027) 5.223 15.341 ( 1.542 0.000 0.043) 1.542 15.559 ( -2.510 0.000 3.327) 4.167 15.617 ( 1.974 0.000 -2.448) 3.145 15.893 ( 0.843 0.000 -1.441) 1.669 15.918 ( -3.675 0.000 -3.923) 5.375 16.209 ( -1.339 0.000 0.865) 1.594 16.226 ( 1.611 0.000 -0.967) 1.879 16.599 ( 2.408 0.000 6.714) 7.133 16.647 ( 3.730 0.000 0.855) 3.827 16.652 ( -3.431 0.000 0.345) 3.449 16.711 ( -4.271 0.000 -4.689) 6.342 17.417 ( -3.928 0.000 0.282) 3.938 17.419 ( 4.856 0.000 0.170) 4.859 17.508 ( 0.889 0.000 1.744) 1.958 17.548 ( -5.686 0.000 -2.200) 6.097 19.207 ( -0.107 0.000 2.701) 2.703 19.262 ( 0.182 0.000 -2.821) 2.826 19.357 ( 0.539 0.000 0.111) 0.550 19.361 ( -0.597 0.000 -0.302) 0.669 25.050 ( 0.339 0.000 1.792) 1.824 25.087 ( -0.583 0.000 -1.872) 1.961 25.173 ( -0.877 0.000 1.589) 1.815 25.205 ( 1.052 0.000 -1.622) 1.934 26.906 ( -0.924 0.000 -0.022) 0.924 26.917 ( 1.852 0.000 -1.159) 2.184 26.996 ( 1.005 0.000 1.124) 1.508 27.013 ( -1.211 0.000 -0.600) 1.352 27.600 ( -0.825 0.000 1.373) 1.602 27.628 ( 0.758 0.000 -1.456) 1.641 28.104 ( 0.358 0.000 0.698) 0.784 28.123 ( -0.744 0.000 -1.249) 1.454 28.610 ( 0.599 0.000 2.437) 2.509 28.632 ( -0.671 0.000 -0.484) 0.827 28.737 ( -3.561 0.000 11.123) 11.679 28.839 ( 2.394 0.000 2.985) 3.826 28.898 ( -0.811 0.000 -3.427) 3.521 28.956 ( 2.568 0.000 -9.854) 10.183 29.741 ( 0.775 0.000 1.625) 1.800 29.828 ( -1.980 0.000 -7.250) 7.516 30.170 ( -10.553 0.000 4.159) 11.343 30.204 ( 5.423 0.000 -0.202) 5.427 30.253 ( 3.355 0.000 -0.159) 3.358 30.266 ( -4.040 0.000 -1.106) 4.188 30.420 ( 6.888 0.000 5.760) 8.979 30.556 ( -3.784 0.000 -7.218) 8.150 31.151 ( -3.720 0.000 14.810) 15.270 31.408 ( 6.997 0.000 -11.581) 13.530 ======================= Grid point 71 (35/54) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 14.641 0.000 29.629) 33.049 1.672 ( 6.724 0.000 31.603) 32.310 1.987 ( 7.199 0.000 -17.490) 18.914 2.258 ( 8.571 0.000 -28.054) 29.334 2.586 ( 26.968 0.000 13.962) 30.368 2.789 ( 1.956 0.000 -15.598) 15.720 2.798 ( 3.582 0.000 10.164) 10.777 3.033 ( -8.881 0.000 -1.820) 9.065 3.076 ( 16.673 0.000 -0.727) 16.689 3.114 ( -1.526 0.000 0.228) 1.543 3.386 ( 2.772 0.000 10.186) 10.556 3.414 ( -2.895 0.000 -0.620) 2.961 3.532 ( 8.530 0.000 5.846) 10.341 3.606 ( -13.550 0.000 -10.498) 17.141 3.713 ( 1.835 0.000 -2.812) 3.358 3.715 ( -3.703 0.000 5.218) 6.398 3.764 ( 2.221 0.000 -10.612) 10.842 3.933 ( 11.114 0.000 0.182) 11.115 4.072 ( 6.573 0.000 -0.511) 6.593 4.182 ( 9.736 0.000 1.300) 9.822 4.211 ( 8.129 0.000 -0.775) 8.165 4.217 ( 10.633 0.000 7.152) 12.814 4.337 ( 1.553 0.000 1.327) 2.043 4.382 ( -14.456 0.000 -3.518) 14.878 4.524 ( -1.094 0.000 -12.499) 12.547 4.559 ( -3.331 0.000 2.999) 4.482 4.573 ( 0.413 0.000 -1.801) 1.848 4.658 ( -3.121 0.000 4.003) 5.076 4.704 ( -1.161 0.000 4.239) 4.395 4.781 ( 5.075 0.000 1.677) 5.345 4.929 ( 7.294 0.000 0.271) 7.299 4.983 ( -3.135 0.000 -3.322) 4.568 5.076 ( 2.800 0.000 8.821) 9.255 5.083 ( -5.285 0.000 3.969) 6.609 5.125 ( 4.500 0.000 -1.121) 4.638 5.212 ( -2.542 0.000 4.886) 5.507 5.228 ( 7.224 0.000 0.511) 7.242 5.392 ( -0.403 0.000 -3.200) 3.225 5.482 ( -6.313 0.000 -2.000) 6.622 5.504 ( 1.487 0.000 4.428) 4.671 5.542 ( 6.930 0.000 5.390) 8.779 5.564 ( 0.308 0.000 -4.249) 4.260 5.712 ( 0.380 0.000 -4.636) 4.652 5.748 ( -2.689 0.000 -5.691) 6.294 5.786 ( 5.326 0.000 4.723) 7.118 5.801 ( 7.494 0.000 1.053) 7.567 5.941 ( 0.806 0.000 -3.565) 3.655 5.998 ( -12.059 0.000 -5.870) 13.412 6.142 ( 5.624 0.000 -3.265) 6.503 6.173 ( 1.508 0.000 1.824) 2.367 6.353 ( -1.783 0.000 1.653) 2.431 6.438 ( 4.458 0.000 1.183) 4.612 6.671 ( -10.723 0.000 3.200) 11.190 6.695 ( -10.242 0.000 -6.603) 12.186 6.834 ( -0.825 0.000 -0.166) 0.841 6.858 ( -8.601 0.000 -4.772) 9.836 6.903 ( -0.855 0.000 2.430) 2.575 7.038 ( -2.038 0.000 -5.644) 6.001 7.124 ( 0.412 0.000 7.358) 7.369 7.220 ( -6.764 0.000 -0.927) 6.828 7.299 ( 7.941 0.000 3.335) 8.613 7.343 ( 0.878 0.000 -11.103) 11.137 7.443 ( -4.348 0.000 -1.931) 4.758 7.466 ( 1.941 0.000 5.231) 5.579 7.549 ( -3.461 0.000 1.102) 3.632 7.644 ( 0.030 0.000 -0.907) 0.907 7.698 ( -0.440 0.000 0.249) 0.505 7.762 ( 5.737 0.000 3.514) 6.727 7.813 ( -7.177 0.000 -4.265) 8.348 7.935 ( -4.217 0.000 9.723) 10.598 8.055 ( -7.026 0.000 -4.958) 8.599 8.066 ( -1.184 0.000 3.925) 4.100 8.145 ( -0.164 0.000 5.634) 5.637 8.218 ( -0.106 0.000 -2.961) 2.963 8.441 ( -0.893 0.000 0.868) 1.245 8.589 ( -0.542 0.000 1.115) 1.240 8.678 ( -5.141 0.000 -1.040) 5.246 8.707 ( -1.915 0.000 -1.518) 2.443 8.785 ( -3.488 0.000 2.960) 4.574 8.834 ( -1.833 0.000 5.083) 5.403 8.912 ( 6.452 0.000 0.552) 6.476 8.916 ( 0.212 0.000 -2.947) 2.955 9.187 ( -2.374 0.000 -4.011) 4.661 9.258 ( -1.506 0.000 1.042) 1.831 9.314 ( -6.399 0.000 0.344) 6.408 9.358 ( -3.674 0.000 2.471) 4.427 9.484 ( -3.973 0.000 -1.944) 4.423 9.562 ( 1.751 0.000 3.353) 3.783 9.681 ( 2.140 0.000 6.123) 6.487 9.798 ( -8.116 0.000 -5.958) 10.068 9.936 ( 1.556 0.000 -0.116) 1.561 9.987 ( 3.546 0.000 -2.270) 4.210 10.038 ( 2.095 0.000 -3.064) 3.712 10.083 ( -0.996 0.000 -0.677) 1.204 10.276 ( 1.108 0.000 0.499) 1.215 10.290 ( 1.363 0.000 -4.046) 4.269 10.376 ( 3.153 0.000 5.596) 6.424 10.459 ( -1.608 0.000 -3.324) 3.693 10.567 ( 5.490 0.000 -4.799) 7.292 10.661 ( 9.166 0.000 -1.702) 9.323 10.876 ( -0.098 0.000 4.133) 4.134 10.918 ( -4.278 0.000 3.050) 5.254 11.120 ( -16.645 0.000 0.524) 16.653 11.138 ( -5.530 0.000 6.487) 8.524 11.423 ( 1.556 0.000 -5.312) 5.535 11.453 ( -1.843 0.000 -2.005) 2.724 11.701 ( -5.231 0.000 0.389) 5.245 11.744 ( -8.772 0.000 2.615) 9.153 11.837 ( -1.946 0.000 1.453) 2.429 11.935 ( -3.166 0.000 1.390) 3.457 12.100 ( -4.536 0.000 5.343) 7.009 12.152 ( -9.649 0.000 -0.443) 9.659 12.446 ( -1.738 0.000 1.490) 2.289 12.453 ( 2.758 0.000 -2.612) 3.799 12.884 ( -10.505 0.000 -8.008) 13.209 12.934 ( -2.632 0.000 1.250) 2.914 12.981 ( -4.619 0.000 -3.375) 5.721 13.052 ( 7.018 0.000 4.204) 8.180 13.321 ( -1.926 0.000 -5.838) 6.148 13.401 ( 7.209 0.000 4.091) 8.289 13.617 ( 19.945 0.000 -0.136) 19.946 13.647 ( 12.526 0.000 -4.802) 13.415 13.875 ( -5.343 0.000 0.867) 5.413 14.063 ( 11.286 0.000 -1.128) 11.342 14.127 ( 9.925 0.000 0.226) 9.928 14.193 ( -3.045 0.000 2.080) 3.688 14.250 ( -4.212 0.000 -1.080) 4.348 14.377 ( 23.697 0.000 1.214) 23.728 14.507 ( 7.252 0.000 -8.446) 11.132 14.541 ( 14.524 0.000 -0.780) 14.545 15.084 ( -3.991 0.000 -0.315) 4.004 15.236 ( 2.766 0.000 0.108) 2.768 15.464 ( 8.024 0.000 3.370) 8.703 15.507 ( -1.393 0.000 0.230) 1.412 15.514 ( 9.712 0.000 -11.072) 14.728 15.655 ( 4.461 0.000 -1.564) 4.727 15.895 ( 0.644 0.000 -1.115) 1.288 15.934 ( 2.625 0.000 1.281) 2.921 16.177 ( -0.584 0.000 -0.553) 0.805 16.218 ( -2.835 0.000 -0.534) 2.885 16.546 ( -8.299 0.000 1.611) 8.453 16.570 ( -3.315 0.000 0.015) 3.315 16.660 ( 2.489 0.000 6.592) 7.046 16.762 ( 4.837 0.000 -1.460) 5.052 17.313 ( -5.012 0.000 0.644) 5.053 17.486 ( 1.531 0.000 -0.695) 1.681 17.514 ( 1.352 0.000 -0.456) 1.427 17.554 ( 3.517 0.000 5.572) 6.589 19.121 ( -8.441 0.000 2.237) 8.733 19.175 ( -8.625 0.000 -2.502) 8.980 19.266 ( -7.512 0.000 -0.313) 7.518 19.277 ( -8.013 0.000 0.122) 8.014 25.006 ( -1.810 0.000 2.696) 3.247 25.049 ( -1.314 0.000 -3.883) 4.099 25.330 ( 12.688 0.000 3.094) 13.060 25.452 ( 19.340 0.000 -6.037) 20.260 26.882 ( -1.218 0.000 -0.516) 1.323 26.933 ( -0.401 0.000 -2.051) 2.090 26.987 ( -1.219 0.000 -1.082) 1.630 26.999 ( -0.983 0.000 1.724) 1.985 27.593 ( 0.128 0.000 1.334) 1.341 27.645 ( 0.802 0.000 -1.229) 1.468 28.137 ( 2.497 0.000 0.799) 2.621 28.141 ( 2.327 0.000 -0.695) 2.429 28.633 ( 1.370 0.000 7.273) 7.401 28.641 ( 1.632 0.000 -0.877) 1.853 28.722 ( 2.118 0.000 4.861) 5.303 28.918 ( 3.400 0.000 -4.651) 5.761 28.928 ( 6.020 0.000 4.199) 7.340 29.064 ( 8.339 0.000 -9.299) 12.490 29.733 ( -1.912 0.000 4.780) 5.148 29.755 ( -5.166 0.000 -5.367) 7.449 29.896 ( -14.695 0.000 9.384) 17.435 30.198 ( -2.022 0.000 0.581) 2.104 30.227 ( -6.986 0.000 -4.583) 8.356 30.286 ( 2.803 0.000 1.065) 2.998 30.543 ( 3.770 0.000 -2.841) 4.721 30.570 ( 5.570 0.000 1.510) 5.771 30.976 ( -13.603 0.000 10.070) 16.925 31.347 ( -10.274 0.000 -9.836) 14.223 ======================= Grid point 72 (36/54) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 8.497 0.000 16.417) 18.485 2.061 ( 23.403 0.000 23.492) 33.160 2.247 ( 19.117 0.000 -8.779) 21.037 2.458 ( 12.604 0.000 -19.120) 22.901 2.707 ( -1.619 0.000 2.767) 3.206 2.709 ( -9.585 0.000 -13.238) 16.343 2.814 ( -14.132 0.000 6.371) 15.502 3.043 ( -4.348 0.000 -8.827) 9.840 3.166 ( 13.577 0.000 2.086) 13.736 3.253 ( -1.267 0.000 -1.494) 1.959 3.362 ( -3.299 0.000 -9.291) 9.859 3.486 ( 4.805 0.000 6.342) 7.957 3.492 ( 5.505 0.000 7.902) 9.630 3.650 ( 4.505 0.000 10.826) 11.726 3.763 ( 6.066 0.000 1.815) 6.332 3.810 ( 7.497 0.000 -15.645) 17.349 3.939 ( 5.907 0.000 -3.923) 7.091 4.052 ( -4.181 0.000 1.167) 4.341 4.093 ( -6.237 0.000 3.455) 7.130 4.160 ( -6.626 0.000 -6.190) 9.067 4.207 ( 8.071 0.000 -8.497) 11.719 4.261 ( 2.209 0.000 -2.607) 3.417 4.363 ( 0.790 0.000 3.811) 3.892 4.459 ( 4.682 0.000 11.782) 12.679 4.459 ( 9.020 0.000 -0.997) 9.075 4.608 ( 6.580 0.000 5.783) 8.760 4.699 ( 12.398 0.000 4.205) 13.092 4.792 ( 10.010 0.000 -3.497) 10.603 4.813 ( 0.212 0.000 17.756) 17.758 4.838 ( 1.231 0.000 4.468) 4.635 4.957 ( 1.303 0.000 0.264) 1.329 4.965 ( 4.513 0.000 -15.265) 15.918 5.058 ( 4.245 0.000 3.679) 5.618 5.121 ( -0.809 0.000 6.875) 6.922 5.144 ( -10.268 0.000 -0.941) 10.311 5.209 ( 4.377 0.000 -4.222) 6.082 5.222 ( 6.193 0.000 -0.432) 6.208 5.376 ( -2.581 0.000 -1.210) 2.851 5.509 ( 2.177 0.000 -0.031) 2.177 5.577 ( -2.150 0.000 3.653) 4.239 5.581 ( -12.392 0.000 -2.271) 12.598 5.593 ( 4.451 0.000 -1.809) 4.805 5.731 ( 2.283 0.000 -7.726) 8.056 5.753 ( 11.198 0.000 1.882) 11.355 5.838 ( 10.267 0.000 6.110) 11.947 5.872 ( -0.738 0.000 -3.291) 3.373 5.942 ( 2.833 0.000 -1.341) 3.135 6.009 ( 7.349 0.000 1.041) 7.422 6.225 ( 2.035 0.000 1.637) 2.612 6.286 ( -0.078 0.000 -0.489) 0.496 6.314 ( 6.469 0.000 3.009) 7.135 6.370 ( -9.465 0.000 -3.562) 10.113 6.395 ( -17.029 0.000 1.043) 17.061 6.600 ( -4.474 0.000 0.426) 4.494 6.658 ( 0.722 0.000 -1.111) 1.325 6.767 ( -4.434 0.000 -4.225) 6.125 6.900 ( -0.998 0.000 1.302) 1.640 7.029 ( -8.865 0.000 1.948) 9.077 7.084 ( 0.593 0.000 -8.573) 8.593 7.116 ( -3.006 0.000 5.268) 6.065 7.255 ( -7.373 0.000 -3.184) 8.031 7.349 ( -2.165 0.000 -0.791) 2.305 7.380 ( -4.949 0.000 -9.538) 10.745 7.441 ( -5.381 0.000 3.878) 6.632 7.521 ( -2.454 0.000 2.858) 3.768 7.643 ( -2.030 0.000 10.373) 10.570 7.661 ( 0.723 0.000 -2.719) 2.813 7.715 ( -9.625 0.000 3.766) 10.335 7.719 ( -1.317 0.000 -1.247) 1.813 7.954 ( -2.633 0.000 -6.258) 6.789 7.956 ( 3.187 0.000 1.990) 3.757 8.031 ( -1.054 0.000 6.120) 6.210 8.114 ( -2.307 0.000 4.316) 4.894 8.197 ( -1.911 0.000 -1.411) 2.376 8.372 ( -5.727 0.000 -6.467) 8.639 8.509 ( -6.574 0.000 3.710) 7.548 8.510 ( -6.791 0.000 -1.459) 6.946 8.629 ( -6.056 0.000 -0.098) 6.056 8.770 ( -0.045 0.000 2.569) 2.569 8.839 ( 4.577 0.000 6.379) 7.851 9.008 ( 0.957 0.000 -1.475) 1.758 9.012 ( 5.809 0.000 -5.529) 8.020 9.135 ( -8.251 0.000 2.507) 8.623 9.161 ( -1.517 0.000 -2.616) 3.024 9.232 ( -1.330 0.000 2.738) 3.044 9.322 ( 2.656 0.000 1.416) 3.010 9.495 ( 2.273 0.000 -1.422) 2.682 9.549 ( -3.065 0.000 6.604) 7.281 9.650 ( -4.775 0.000 -7.352) 8.767 9.722 ( 1.429 0.000 4.891) 5.096 9.943 ( -1.460 0.000 -5.049) 5.256 10.033 ( 0.195 0.000 -3.472) 3.477 10.046 ( -1.667 0.000 0.657) 1.792 10.084 ( 2.263 0.000 -0.902) 2.436 10.309 ( 3.990 0.000 1.134) 4.148 10.329 ( 2.766 0.000 -1.661) 3.226 10.437 ( 0.822 0.000 -3.204) 3.308 10.484 ( 4.939 0.000 2.220) 5.414 10.693 ( 5.565 0.000 -2.799) 6.230 10.714 ( -4.992 0.000 3.310) 5.990 10.763 ( -11.114 0.000 2.869) 11.478 10.858 ( 1.546 0.000 -0.368) 1.589 10.992 ( 5.715 0.000 -1.433) 5.892 11.083 ( -1.020 0.000 -0.502) 1.137 11.462 ( 1.489 0.000 0.497) 1.569 11.485 ( 2.049 0.000 -5.340) 5.720 11.611 ( -5.329 0.000 7.809) 9.454 11.617 ( -0.439 0.000 0.108) 0.452 11.751 ( -5.149 0.000 0.983) 5.242 11.821 ( -7.372 0.000 -3.881) 8.331 11.985 ( -7.792 0.000 2.060) 8.060 12.003 ( -5.122 0.000 8.408) 9.845 12.326 ( -9.750 0.000 -2.998) 10.200 12.455 ( -2.939 0.000 -7.369) 7.934 12.775 ( -1.482 0.000 -1.074) 1.830 12.816 ( -3.194 0.000 -1.681) 3.610 12.982 ( -0.671 0.000 2.967) 3.042 13.188 ( 6.252 0.000 4.179) 7.520 13.364 ( 5.787 0.000 -3.429) 6.726 13.562 ( 0.587 0.000 0.371) 0.695 13.613 ( -1.362 0.000 0.337) 1.403 13.809 ( 4.363 0.000 -2.159) 4.868 13.950 ( 0.043 0.000 -1.178) 1.179 14.138 ( -2.554 0.000 -3.528) 4.356 14.315 ( 9.352 0.000 0.999) 9.405 14.318 ( 14.213 0.000 -0.361) 14.217 14.391 ( 16.381 0.000 6.199) 17.515 14.648 ( 8.743 0.000 4.453) 9.812 14.681 ( 11.450 0.000 -6.580) 13.206 14.862 ( 12.751 0.000 -4.745) 13.605 15.108 ( 6.921 0.000 -1.511) 7.084 15.282 ( 1.672 0.000 1.035) 1.966 15.416 ( -5.064 0.000 1.348) 5.240 15.522 ( -4.729 0.000 -5.710) 7.414 15.697 ( 11.970 0.000 -2.314) 12.191 15.777 ( -1.303 0.000 1.926) 2.325 15.865 ( 0.451 0.000 -4.071) 4.096 15.973 ( 1.265 0.000 5.077) 5.232 16.117 ( -6.870 0.000 -0.054) 6.871 16.261 ( 8.022 0.000 -3.255) 8.658 16.426 ( -3.643 0.000 -0.379) 3.662 16.512 ( -2.563 0.000 -1.166) 2.816 16.721 ( 3.171 0.000 7.060) 7.740 16.848 ( 3.870 0.000 -2.786) 4.768 17.260 ( -0.135 0.000 0.533) 0.550 17.486 ( -1.504 0.000 0.563) 1.606 17.563 ( 3.240 0.000 -2.616) 4.164 17.612 ( 1.624 0.000 4.952) 5.211 18.921 ( -10.606 0.000 1.318) 10.687 18.978 ( -9.924 0.000 -2.657) 10.273 19.092 ( -9.695 0.000 0.913) 9.738 19.109 ( -7.983 0.000 -1.453) 8.115 24.989 ( -0.510 0.000 3.561) 3.597 25.038 ( 0.171 0.000 -4.748) 4.751 25.598 ( 13.298 0.000 5.924) 14.558 25.816 ( 16.175 0.000 -10.379) 19.218 26.867 ( -0.196 0.000 -0.263) 0.328 26.911 ( -1.108 0.000 -2.609) 2.834 26.959 ( -3.063 0.000 2.476) 3.939 26.963 ( -1.337 0.000 -1.901) 2.324 27.604 ( 0.811 0.000 1.361) 1.584 27.654 ( 0.178 0.000 -1.002) 1.018 28.183 ( 1.886 0.000 0.408) 1.930 28.186 ( 1.799 0.000 -0.116) 1.803 28.661 ( 1.089 0.000 12.696) 12.743 28.699 ( 4.404 0.000 -2.294) 4.966 28.826 ( 8.093 0.000 -1.391) 8.212 29.021 ( 7.077 0.000 -6.223) 9.424 29.044 ( 4.428 0.000 8.221) 9.338 29.246 ( 9.291 0.000 -9.980) 13.636 29.621 ( -8.089 0.000 -1.566) 8.240 29.651 ( -10.322 0.000 6.995) 12.469 29.695 ( -0.825 0.000 8.452) 8.492 30.042 ( -8.983 0.000 -10.363) 13.715 30.167 ( -2.289 0.000 2.806) 3.621 30.319 ( -0.694 0.000 2.440) 2.536 30.613 ( -2.328 0.000 -0.543) 2.391 30.620 ( -0.270 0.000 -1.664) 1.686 30.723 ( -6.058 0.000 7.582) 9.705 31.123 ( -9.987 0.000 -6.993) 12.192 ======================= Grid point 73 (37/54) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 10.595 0.000 4.341) 11.450 2.365 ( -16.864 0.000 -0.652) 16.877 2.437 ( 10.324 0.000 16.264) 19.264 2.652 ( 6.158 0.000 4.945) 7.898 2.679 ( 11.319 0.000 -10.024) 15.119 2.727 ( 11.757 0.000 12.359) 17.057 2.814 ( 9.348 0.000 -12.168) 15.344 2.933 ( -2.495 0.000 -14.191) 14.409 3.073 ( -8.519 0.000 -1.295) 8.617 3.132 ( -10.330 0.000 3.798) 11.006 3.316 ( -4.501 0.000 -9.235) 10.274 3.434 ( -14.512 0.000 -4.144) 15.092 3.624 ( 5.947 0.000 4.877) 7.692 3.687 ( -2.573 0.000 -0.061) 2.573 3.756 ( 1.981 0.000 1.200) 2.316 3.868 ( 0.004 0.000 -8.657) 8.657 3.922 ( 1.143 0.000 -2.375) 2.636 4.052 ( -4.369 0.000 -3.210) 5.422 4.197 ( 8.386 0.000 -1.025) 8.448 4.209 ( 7.752 0.000 3.923) 8.688 4.290 ( 0.516 0.000 -6.755) 6.774 4.342 ( 5.704 0.000 -0.998) 5.791 4.457 ( 0.112 0.000 12.704) 12.705 4.496 ( 10.457 0.000 0.427) 10.466 4.610 ( -2.738 0.000 1.891) 3.327 4.632 ( 5.276 0.000 -2.696) 5.925 4.753 ( -2.969 0.000 13.315) 13.642 4.838 ( -0.708 0.000 1.835) 1.967 4.899 ( 3.006 0.000 -0.523) 3.051 4.904 ( 0.240 0.000 4.474) 4.480 4.944 ( -1.384 0.000 4.100) 4.328 5.065 ( 2.825 0.000 -0.077) 2.826 5.119 ( 0.580 0.000 8.405) 8.425 5.159 ( 2.910 0.000 -4.437) 5.306 5.218 ( -8.920 0.000 0.979) 8.973 5.300 ( 8.755 0.000 -10.798) 13.901 5.309 ( 14.918 0.000 4.444) 15.566 5.385 ( -0.470 0.000 -4.906) 4.928 5.436 ( -0.751 0.000 -4.129) 4.197 5.492 ( -1.379 0.000 4.726) 4.923 5.500 ( -1.269 0.000 -4.107) 4.298 5.625 ( 5.038 0.000 -5.965) 7.808 5.717 ( -14.114 0.000 16.086) 21.400 5.758 ( 0.290 0.000 -4.861) 4.869 5.950 ( -0.209 0.000 4.870) 4.874 5.959 ( 5.996 0.000 14.769) 15.939 6.037 ( -3.507 0.000 -6.408) 7.305 6.097 ( -9.598 0.000 3.281) 10.143 6.136 ( 11.204 0.000 1.377) 11.289 6.271 ( -2.867 0.000 -7.328) 7.869 6.296 ( 8.693 0.000 -10.587) 13.699 6.355 ( 6.847 0.000 -1.312) 6.971 6.440 ( -0.767 0.000 4.152) 4.223 6.559 ( 5.094 0.000 7.291) 8.895 6.741 ( -1.486 0.000 0.260) 1.508 6.762 ( 5.533 0.000 -8.192) 9.885 6.831 ( -3.724 0.000 -5.141) 6.348 6.856 ( -2.932 0.000 -0.353) 2.953 7.005 ( -8.570 0.000 4.706) 9.777 7.052 ( -1.861 0.000 -2.027) 2.752 7.123 ( -7.515 0.000 -1.223) 7.614 7.255 ( -6.133 0.000 4.477) 7.594 7.277 ( 1.862 0.000 -2.759) 3.329 7.359 ( -10.684 0.000 -2.109) 10.890 7.449 ( 2.597 0.000 -2.279) 3.455 7.548 ( -6.978 0.000 -0.543) 6.999 7.627 ( -0.119 0.000 8.552) 8.553 7.672 ( 1.523 0.000 -0.008) 1.523 7.743 ( 3.290 0.000 1.942) 3.820 7.851 ( -7.968 0.000 0.631) 7.993 7.935 ( 1.013 0.000 -3.543) 3.684 8.032 ( -4.226 0.000 2.069) 4.705 8.140 ( 3.451 0.000 -2.373) 4.188 8.148 ( -2.609 0.000 -0.682) 2.697 8.298 ( 0.373 0.000 -1.855) 1.892 8.399 ( -4.387 0.000 0.150) 4.390 8.448 ( -0.339 0.000 1.305) 1.348 8.547 ( -1.917 0.000 -4.041) 4.472 8.804 ( 2.580 0.000 3.253) 4.152 8.897 ( 0.872 0.000 2.067) 2.243 8.990 ( -1.430 0.000 0.485) 1.510 9.005 ( -4.277 0.000 4.859) 6.473 9.097 ( -3.234 0.000 -1.405) 3.526 9.105 ( 3.505 0.000 -7.962) 8.700 9.254 ( 2.945 0.000 5.659) 6.379 9.407 ( 3.044 0.000 2.996) 4.271 9.446 ( -6.364 0.000 -0.055) 6.364 9.507 ( -0.935 0.000 -2.331) 2.512 9.678 ( 6.829 0.000 -1.060) 6.911 9.740 ( 0.700 0.000 4.386) 4.441 9.907 ( -1.214 0.000 -6.969) 7.074 9.954 ( -6.264 0.000 -6.761) 9.217 10.075 ( 1.911 0.000 3.867) 4.313 10.105 ( -0.289 0.000 2.572) 2.588 10.388 ( 2.645 0.000 2.772) 3.832 10.392 ( 3.838 0.000 1.884) 4.275 10.484 ( 0.460 0.000 -0.625) 0.776 10.550 ( 3.263 0.000 -7.009) 7.731 10.585 ( -2.715 0.000 -2.084) 3.423 10.594 ( -6.594 0.000 4.117) 7.774 10.804 ( 4.740 0.000 -1.098) 4.866 10.885 ( -0.892 0.000 -0.673) 1.117 11.079 ( 0.807 0.000 1.823) 1.994 11.161 ( 7.742 0.000 -3.118) 8.346 11.427 ( -3.392 0.000 -2.055) 3.966 11.452 ( -9.242 0.000 9.539) 13.282 11.485 ( 0.340 0.000 2.144) 2.171 11.644 ( -1.901 0.000 -6.814) 7.074 11.775 ( 6.229 0.000 -2.034) 6.553 11.786 ( 6.171 0.000 -2.845) 6.795 11.848 ( -5.467 0.000 4.445) 7.046 11.909 ( -5.370 0.000 6.684) 8.574 12.136 ( -6.944 0.000 -0.469) 6.960 12.348 ( -6.288 0.000 -11.333) 12.961 12.778 ( 1.241 0.000 2.854) 3.112 12.804 ( 0.298 0.000 1.469) 1.499 13.011 ( 4.706 0.000 3.573) 5.909 13.234 ( -5.324 0.000 -2.222) 5.770 13.439 ( -0.050 0.000 -0.601) 0.603 13.453 ( 1.895 0.000 -0.036) 1.895 13.731 ( 2.412 0.000 8.038) 8.392 13.862 ( 3.039 0.000 -7.031) 7.660 13.931 ( 1.071 0.000 -0.907) 1.403 14.068 ( -4.954 0.000 -4.514) 6.702 14.469 ( 5.232 0.000 1.297) 5.391 14.501 ( 3.915 0.000 0.112) 3.916 14.674 ( 10.793 0.000 0.253) 10.796 14.754 ( 0.952 0.000 2.136) 2.339 14.933 ( 11.389 0.000 1.302) 11.464 15.052 ( 8.122 0.000 -4.209) 9.148 15.234 ( 1.096 0.000 -0.298) 1.136 15.287 ( -1.837 0.000 0.241) 1.852 15.322 ( -3.217 0.000 -0.731) 3.299 15.372 ( -7.611 0.000 -1.850) 7.832 15.686 ( -1.637 0.000 6.454) 6.658 15.836 ( 0.028 0.000 -6.922) 6.922 15.937 ( 3.617 0.000 -1.295) 3.842 15.979 ( -5.065 0.000 5.091) 7.181 16.065 ( 8.409 0.000 5.506) 10.051 16.342 ( -3.434 0.000 -3.185) 4.684 16.406 ( 3.466 0.000 -3.934) 5.243 16.460 ( -3.186 0.000 -0.456) 3.219 16.776 ( 1.880 0.000 7.078) 7.323 16.900 ( 1.330 0.000 -4.372) 4.570 17.308 ( 4.664 0.000 0.658) 4.710 17.424 ( -4.669 0.000 0.141) 4.671 17.613 ( -1.498 0.000 3.213) 3.545 17.629 ( 3.598 0.000 -4.207) 5.536 18.768 ( -4.174 0.000 1.577) 4.461 18.831 ( -4.176 0.000 -3.762) 5.621 18.947 ( -4.237 0.000 1.646) 4.545 18.984 ( -3.911 0.000 -2.055) 4.418 24.980 ( -0.669 0.000 3.623) 3.684 25.047 ( 0.896 0.000 -4.856) 4.938 25.807 ( 6.820 0.000 7.633) 10.236 26.023 ( 4.837 0.000 -10.862) 11.891 26.869 ( -0.368 0.000 1.553) 1.596 26.899 ( -1.947 0.000 1.656) 2.556 26.907 ( 1.123 0.000 -3.401) 3.582 26.931 ( -1.821 0.000 -2.051) 2.743 27.621 ( 0.683 0.000 1.353) 1.515 27.654 ( -0.114 0.000 -1.067) 1.073 28.206 ( 0.369 0.000 0.237) 0.438 28.207 ( 0.554 0.000 0.046) 0.556 28.680 ( 0.064 0.000 12.197) 12.197 28.800 ( 5.526 0.000 -5.345) 7.688 29.005 ( 7.521 0.000 4.319) 8.673 29.074 ( 0.248 0.000 8.575) 8.579 29.157 ( 3.948 0.000 -3.698) 5.409 29.297 ( -4.005 0.000 -11.522) 12.198 29.484 ( -7.247 0.000 2.595) 7.698 29.524 ( 0.067 0.000 -4.100) 4.100 29.772 ( 8.080 0.000 9.153) 12.209 29.945 ( 0.137 0.000 -6.053) 6.054 30.082 ( -5.988 0.000 4.636) 7.573 30.211 ( -8.759 0.000 -2.561) 9.126 30.502 ( -2.429 0.000 3.642) 4.378 30.591 ( -1.465 0.000 -4.122) 4.375 30.769 ( 3.879 0.000 6.218) 7.328 30.984 ( -4.670 0.000 -6.727) 8.189 ======================= Grid point 74 (38/54) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( -6.961 0.000 -3.277) 7.693 2.180 ( 0.743 0.000 12.423) 12.446 2.497 ( -12.609 0.000 14.803) 19.445 2.659 ( -0.530 0.000 -0.939) 1.078 2.688 ( -0.141 0.000 10.935) 10.936 2.732 ( -12.832 0.000 -11.814) 17.442 2.787 ( 0.633 0.000 -7.562) 7.588 2.980 ( -8.291 0.000 -13.026) 15.441 3.091 ( 2.243 0.000 -5.526) 5.964 3.204 ( 8.721 0.000 -0.501) 8.736 3.246 ( 12.047 0.000 0.485) 12.056 3.416 ( 17.275 0.000 -8.039) 19.054 3.667 ( -2.161 0.000 1.429) 2.591 3.707 ( 2.552 0.000 3.222) 4.110 3.741 ( -3.138 0.000 -1.770) 3.603 3.850 ( -0.307 0.000 -5.043) 5.052 3.882 ( -10.993 0.000 0.485) 11.004 3.921 ( -0.617 0.000 5.335) 5.370 4.218 ( -5.968 0.000 -0.284) 5.975 4.228 ( -5.588 0.000 -1.267) 5.730 4.333 ( -2.700 0.000 -4.805) 5.512 4.342 ( 1.176 0.000 -4.077) 4.243 4.463 ( -2.861 0.000 5.272) 5.998 4.599 ( 2.772 0.000 0.830) 2.894 4.602 ( -7.321 0.000 1.478) 7.468 4.700 ( -2.542 0.000 -7.056) 7.500 4.756 ( -4.012 0.000 10.982) 11.692 4.827 ( 5.554 0.000 3.886) 6.778 4.883 ( -8.886 0.000 6.720) 11.141 4.894 ( 3.626 0.000 -1.286) 3.848 4.958 ( -4.837 0.000 2.131) 5.285 5.012 ( 0.551 0.000 -1.660) 1.749 5.081 ( 4.786 0.000 5.794) 7.515 5.136 ( -0.528 0.000 2.570) 2.624 5.190 ( -4.118 0.000 11.040) 11.783 5.283 ( -3.743 0.000 -5.595) 6.732 5.296 ( 1.258 0.000 -0.725) 1.452 5.347 ( 0.541 0.000 12.139) 12.151 5.371 ( -3.916 0.000 -1.614) 4.236 5.447 ( -4.196 0.000 -9.250) 10.157 5.534 ( -3.524 0.000 2.257) 4.184 5.660 ( -2.273 0.000 -11.608) 11.829 5.734 ( -6.146 0.000 0.380) 6.157 5.886 ( 2.175 0.000 10.512) 10.735 5.893 ( 15.801 0.000 5.756) 16.817 6.003 ( 1.027 0.000 3.770) 3.907 6.039 ( 3.042 0.000 -9.334) 9.818 6.056 ( -10.191 0.000 9.686) 14.059 6.165 ( 1.916 0.000 0.194) 1.926 6.228 ( -7.864 0.000 -5.667) 9.693 6.292 ( 3.151 0.000 -7.292) 7.943 6.418 ( -1.957 0.000 -5.817) 6.137 6.554 ( -10.722 0.000 6.838) 12.717 6.595 ( 1.136 0.000 -11.181) 11.238 6.677 ( 16.813 0.000 3.397) 17.153 6.761 ( -6.596 0.000 -5.439) 8.549 6.809 ( -6.006 0.000 -5.392) 8.071 6.822 ( 1.133 0.000 2.792) 3.013 6.996 ( 10.399 0.000 5.477) 11.753 7.081 ( 10.757 0.000 -1.602) 10.875 7.133 ( -5.119 0.000 -1.357) 5.295 7.204 ( -2.999 0.000 2.543) 3.932 7.273 ( 10.741 0.000 1.381) 10.830 7.319 ( 3.344 0.000 0.822) 3.444 7.426 ( -5.008 0.000 1.145) 5.137 7.539 ( 9.316 0.000 1.924) 9.513 7.680 ( 3.262 0.000 -0.800) 3.358 7.739 ( -2.400 0.000 2.009) 3.130 7.761 ( 7.078 0.000 -3.792) 8.030 7.853 ( 7.628 0.000 0.895) 7.681 7.908 ( -7.406 0.000 -0.810) 7.450 8.001 ( 4.874 0.000 3.623) 6.073 8.110 ( -0.577 0.000 -2.012) 2.093 8.178 ( 0.974 0.000 -3.125) 3.273 8.317 ( -4.557 0.000 -2.177) 5.051 8.354 ( 3.950 0.000 4.775) 6.197 8.494 ( 5.120 0.000 1.136) 5.244 8.527 ( -0.400 0.000 -6.245) 6.258 8.862 ( 2.910 0.000 2.320) 3.721 8.894 ( -0.755 0.000 -4.598) 4.660 8.954 ( -1.580 0.000 5.335) 5.564 8.965 ( -0.262 0.000 4.723) 4.730 9.092 ( 2.719 0.000 -3.161) 4.170 9.148 ( 1.460 0.000 -4.678) 4.901 9.336 ( -4.739 0.000 -1.847) 5.086 9.349 ( 6.097 0.000 7.185) 9.423 9.440 ( 0.699 0.000 4.392) 4.447 9.467 ( -2.794 0.000 -3.246) 4.283 9.762 ( -3.654 0.000 -5.902) 6.942 9.795 ( -3.207 0.000 2.217) 3.898 9.814 ( 4.651 0.000 -2.119) 5.111 9.912 ( 2.915 0.000 -3.644) 4.666 10.076 ( -2.560 0.000 2.817) 3.807 10.099 ( -0.177 0.000 4.915) 4.918 10.369 ( -5.707 0.000 6.448) 8.611 10.382 ( -4.667 0.000 -1.031) 4.779 10.470 ( -4.159 0.000 1.636) 4.470 10.514 ( 5.114 0.000 -5.115) 7.233 10.641 ( 5.231 0.000 -6.153) 8.076 10.649 ( 4.676 0.000 -0.941) 4.770 10.814 ( -4.859 0.000 -1.906) 5.220 10.885 ( 2.942 0.000 -1.095) 3.139 11.058 ( -4.493 0.000 7.059) 8.367 11.120 ( -6.789 0.000 -1.904) 7.051 11.349 ( 0.060 0.000 6.348) 6.348 11.527 ( 5.186 0.000 -2.111) 5.599 11.541 ( 5.858 0.000 3.348) 6.747 11.624 ( 4.545 0.000 -5.535) 7.162 11.721 ( -5.949 0.000 3.528) 6.916 11.778 ( -6.627 0.000 -3.727) 7.603 11.876 ( 2.656 0.000 1.449) 3.026 11.963 ( 9.648 0.000 -0.637) 9.669 12.168 ( 8.778 0.000 5.891) 10.571 12.256 ( -1.426 0.000 -10.476) 10.572 12.800 ( -0.833 0.000 0.373) 0.913 12.817 ( 2.219 0.000 1.112) 2.482 13.062 ( -8.464 0.000 -2.572) 8.846 13.156 ( 8.814 0.000 5.985) 10.654 13.440 ( -1.935 0.000 -0.443) 1.985 13.472 ( -1.811 0.000 -2.177) 2.832 13.737 ( 1.610 0.000 6.250) 6.454 13.913 ( -4.863 0.000 -9.695) 10.846 13.953 ( -0.334 0.000 -4.373) 4.386 13.990 ( 3.155 0.000 3.186) 4.484 14.473 ( -6.206 0.000 1.045) 6.293 14.486 ( -3.821 0.000 1.764) 4.208 14.665 ( -9.594 0.000 0.382) 9.602 14.800 ( 1.587 0.000 -1.763) 2.373 14.982 ( -14.884 0.000 -2.823) 15.149 14.984 ( -5.751 0.000 2.387) 6.227 15.233 ( -5.879 0.000 -0.421) 5.894 15.266 ( 7.724 0.000 1.471) 7.863 15.323 ( 4.087 0.000 2.839) 4.976 15.334 ( -0.896 0.000 -1.252) 1.539 15.710 ( 0.537 0.000 6.112) 6.135 15.814 ( 0.949 0.000 -6.480) 6.549 15.878 ( -5.700 0.000 4.367) 7.181 15.997 ( 3.289 0.000 0.934) 3.419 16.233 ( -5.813 0.000 -9.042) 10.750 16.253 ( 8.449 0.000 4.767) 9.701 16.368 ( -6.367 0.000 0.775) 6.414 16.454 ( 1.341 0.000 0.215) 1.358 16.795 ( -0.148 0.000 6.244) 6.246 16.892 ( -1.735 0.000 -4.812) 5.115 17.330 ( -4.060 0.000 -1.373) 4.286 17.416 ( 5.328 0.000 0.977) 5.417 17.573 ( -2.293 0.000 1.648) 2.824 17.693 ( 2.849 0.000 -4.728) 5.520 18.775 ( 4.743 0.000 1.916) 5.115 18.825 ( 3.614 0.000 -4.264) 5.589 18.949 ( 4.218 0.000 1.600) 4.512 18.980 ( 3.775 0.000 -1.748) 4.160 24.967 ( -0.642 0.000 3.341) 3.402 25.063 ( 0.848 0.000 -4.906) 4.979 25.836 ( -4.517 0.000 8.105) 9.279 25.992 ( -7.179 0.000 -11.237) 13.335 26.848 ( -0.264 0.000 2.559) 2.573 26.895 ( -1.652 0.000 -1.715) 2.381 26.908 ( 1.409 0.000 0.646) 1.550 26.950 ( 2.975 0.000 -3.074) 4.278 27.630 ( 0.239 0.000 1.310) 1.332 27.648 ( -0.460 0.000 -1.402) 1.476 28.207 ( -0.247 0.000 -0.016) 0.248 28.207 ( -0.567 0.000 0.093) 0.575 28.669 ( -1.575 0.000 8.795) 8.935 28.886 ( 3.050 0.000 -8.584) 9.110 28.962 ( -5.754 0.000 14.145) 15.270 29.010 ( -12.162 0.000 -0.594) 12.177 29.191 ( 1.223 0.000 0.833) 1.480 29.304 ( -1.749 0.000 -10.638) 10.781 29.411 ( 3.754 0.000 6.713) 7.692 29.563 ( 5.981 0.000 -4.833) 7.690 29.851 ( -3.405 0.000 3.475) 4.865 29.932 ( -2.966 0.000 -7.447) 8.016 30.113 ( 12.121 0.000 7.892) 14.464 30.160 ( 4.020 0.000 -3.500) 5.330 30.507 ( 2.690 0.000 4.598) 5.327 30.574 ( -0.116 0.000 -3.917) 3.919 30.840 ( 3.455 0.000 7.532) 8.287 30.902 ( -3.887 0.000 -7.039) 8.041 ======================= Grid point 75 (39/54) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.929 ( -22.548 0.000 20.827) 30.695 1.997 ( -13.326 0.000 14.950) 20.027 2.189 ( -5.977 0.000 -7.711) 9.756 2.516 ( -12.621 0.000 -17.511) 21.585 2.569 ( -9.832 0.000 -1.687) 9.975 2.771 ( 6.482 0.000 -2.334) 6.890 2.866 ( 6.115 0.000 7.397) 9.598 2.890 ( 6.184 0.000 -1.292) 6.318 3.237 ( 4.277 0.000 3.162) 5.319 3.239 ( -14.048 0.000 -4.058) 14.623 3.242 ( -4.900 0.000 -0.896) 4.981 3.571 ( -0.324 0.000 -3.638) 3.652 3.658 ( -10.935 0.000 0.484) 10.945 3.677 ( -5.131 0.000 -8.535) 9.959 3.729 ( 4.748 0.000 -0.235) 4.753 3.835 ( 1.223 0.000 3.455) 3.665 3.879 ( 2.310 0.000 -6.728) 7.113 3.965 ( -6.536 0.000 11.619) 13.331 4.032 ( 9.846 0.000 4.264) 10.730 4.084 ( -6.642 0.000 -0.200) 6.645 4.233 ( -4.929 0.000 0.618) 4.968 4.247 ( -5.220 0.000 -3.886) 6.507 4.325 ( -11.321 0.000 11.762) 16.325 4.462 ( 4.834 0.000 0.811) 4.901 4.577 ( -8.946 0.000 -3.528) 9.617 4.589 ( -7.657 0.000 -1.222) 7.754 4.710 ( 1.932 0.000 -3.137) 3.684 4.782 ( -7.729 0.000 -6.902) 10.362 4.825 ( -3.641 0.000 7.311) 8.168 4.942 ( -4.581 0.000 -0.730) 4.639 4.984 ( -0.171 0.000 -3.511) 3.515 5.030 ( 1.903 0.000 8.048) 8.270 5.089 ( 3.362 0.000 -3.930) 5.172 5.162 ( 8.378 0.000 -0.539) 8.395 5.165 ( 1.922 0.000 -1.183) 2.257 5.255 ( -10.956 0.000 -11.084) 15.585 5.257 ( -0.157 0.000 -4.627) 4.630 5.362 ( -1.965 0.000 5.001) 5.373 5.441 ( 5.962 0.000 2.278) 6.382 5.480 ( 0.315 0.000 12.072) 12.076 5.507 ( 12.455 0.000 0.138) 12.456 5.593 ( -3.728 0.000 0.182) 3.732 5.595 ( -11.756 0.000 -1.290) 11.826 5.750 ( -7.527 0.000 1.487) 7.672 5.841 ( -1.401 0.000 6.957) 7.097 5.901 ( -12.762 0.000 8.780) 15.491 6.000 ( -6.292 0.000 -6.955) 9.379 6.042 ( -6.650 0.000 -5.361) 8.542 6.208 ( 4.128 0.000 1.822) 4.512 6.229 ( -10.005 0.000 -2.124) 10.228 6.318 ( 13.673 0.000 2.838) 13.964 6.368 ( 1.999 0.000 -4.907) 5.299 6.441 ( 1.344 0.000 1.290) 1.863 6.577 ( -8.207 0.000 3.733) 9.016 6.750 ( 10.507 0.000 -5.823) 12.013 6.758 ( 2.626 0.000 -10.223) 10.554 6.966 ( 5.663 0.000 5.245) 7.718 6.974 ( 9.997 0.000 -2.769) 10.373 7.055 ( 3.362 0.000 -0.171) 3.366 7.178 ( 3.359 0.000 2.734) 4.331 7.226 ( 5.915 0.000 -5.852) 8.321 7.282 ( 7.839 0.000 1.426) 7.967 7.311 ( -0.748 0.000 -0.617) 0.970 7.420 ( 5.807 0.000 5.927) 8.297 7.545 ( 10.066 0.000 0.237) 10.069 7.673 ( -4.313 0.000 -3.686) 5.674 7.723 ( 6.594 0.000 1.477) 6.757 7.730 ( -0.100 0.000 -1.594) 1.597 7.824 ( 1.408 0.000 6.429) 6.581 7.858 ( -0.425 0.000 -6.160) 6.175 7.998 ( 3.001 0.000 -4.341) 5.277 8.082 ( 6.685 0.000 5.599) 8.720 8.164 ( 4.172 0.000 -0.560) 4.210 8.181 ( -0.416 0.000 -0.652) 0.773 8.258 ( 2.457 0.000 0.041) 2.457 8.424 ( 2.195 0.000 11.054) 11.270 8.536 ( 2.661 0.000 -3.734) 4.585 8.640 ( 8.496 0.000 -0.943) 8.548 8.875 ( -0.187 0.000 -7.149) 7.151 8.891 ( -0.949 0.000 0.122) 0.957 8.952 ( 0.239 0.000 0.594) 0.641 8.985 ( 1.587 0.000 2.758) 3.182 9.156 ( -1.691 0.000 -1.944) 2.577 9.162 ( 3.303 0.000 -0.079) 3.304 9.289 ( 1.764 0.000 -2.352) 2.940 9.354 ( -4.563 0.000 -0.835) 4.638 9.432 ( -1.895 0.000 4.684) 5.053 9.508 ( 6.451 0.000 5.269) 8.330 9.653 ( -0.464 0.000 -3.700) 3.729 9.841 ( -0.037 0.000 -6.635) 6.635 9.870 ( 5.395 0.000 1.445) 5.585 9.979 ( 0.305 0.000 1.714) 1.741 10.048 ( 1.553 0.000 0.031) 1.553 10.060 ( -3.866 0.000 3.017) 4.904 10.261 ( -5.316 0.000 3.033) 6.121 10.283 ( -2.594 0.000 2.971) 3.944 10.412 ( -2.798 0.000 -1.190) 3.040 10.561 ( -1.518 0.000 -5.157) 5.376 10.624 ( -6.927 0.000 5.139) 8.625 10.684 ( -2.344 0.000 4.427) 5.009 10.848 ( 9.343 0.000 -5.025) 10.608 10.918 ( 2.929 0.000 -4.167) 5.093 10.979 ( -2.544 0.000 0.273) 2.559 11.081 ( 3.001 0.000 -0.070) 3.002 11.375 ( 0.134 0.000 5.475) 5.477 11.480 ( -3.876 0.000 -1.818) 4.282 11.630 ( -0.445 0.000 -0.821) 0.934 11.703 ( 0.842 0.000 -0.976) 1.289 11.731 ( 11.642 0.000 5.554) 12.899 11.835 ( 7.692 0.000 -8.032) 11.121 11.933 ( 5.011 0.000 6.542) 8.240 12.115 ( 5.463 0.000 -0.364) 5.475 12.307 ( 6.481 0.000 -3.893) 7.560 12.369 ( 9.667 0.000 2.526) 9.991 12.770 ( -2.198 0.000 -0.591) 2.276 12.815 ( -1.955 0.000 -1.871) 2.706 13.004 ( 2.763 0.000 0.863) 2.894 13.268 ( -0.368 0.000 -2.457) 2.485 13.348 ( -8.631 0.000 -2.269) 8.924 13.467 ( 6.739 0.000 5.828) 8.910 13.697 ( -13.171 0.000 -5.474) 14.263 13.754 ( -4.270 0.000 3.309) 5.402 13.992 ( 1.006 0.000 -6.057) 6.140 14.063 ( 5.695 0.000 4.300) 7.136 14.309 ( -9.264 0.000 1.588) 9.399 14.324 ( -12.599 0.000 -0.525) 12.609 14.450 ( -10.547 0.000 2.310) 10.797 14.642 ( -19.495 0.000 -5.205) 20.178 14.721 ( -10.385 0.000 -0.342) 10.391 14.802 ( -11.879 0.000 -0.510) 11.890 15.100 ( -5.373 0.000 -0.942) 5.455 15.287 ( -3.068 0.000 0.589) 3.124 15.377 ( 0.595 0.000 7.822) 7.845 15.415 ( 5.835 0.000 1.824) 6.113 15.626 ( -7.990 0.000 3.071) 8.560 15.740 ( -7.557 0.000 3.685) 8.407 15.886 ( 3.948 0.000 -3.863) 5.524 16.078 ( 2.526 0.000 -1.375) 2.876 16.151 ( -0.825 0.000 -6.151) 6.206 16.227 ( -5.937 0.000 -0.140) 5.938 16.401 ( 6.387 0.000 3.031) 7.070 16.483 ( 2.273 0.000 1.517) 2.732 16.776 ( -1.967 0.000 4.321) 4.747 16.843 ( -2.763 0.000 -5.279) 5.959 17.289 ( 0.153 0.000 -2.063) 2.069 17.482 ( 1.056 0.000 0.834) 1.346 17.534 ( -1.785 0.000 0.603) 1.884 17.724 ( 0.124 0.000 -5.970) 5.971 18.932 ( 10.243 0.000 1.979) 10.433 18.961 ( 10.047 0.000 -2.970) 10.477 19.087 ( 9.009 0.000 0.774) 9.043 19.111 ( 8.717 0.000 -0.918) 8.765 24.964 ( 0.367 0.000 2.899) 2.922 25.073 ( 0.332 0.000 -5.066) 5.077 25.651 ( -13.760 0.000 6.838) 15.365 25.758 ( -15.663 0.000 -11.068) 19.179 26.871 ( 2.022 0.000 1.544) 2.544 26.872 ( -0.464 0.000 -0.879) 0.994 26.938 ( 1.530 0.000 0.940) 1.796 27.002 ( 2.135 0.000 -1.923) 2.874 27.630 ( -0.292 0.000 1.364) 1.395 27.635 ( -0.740 0.000 -1.700) 1.853 28.180 ( -2.255 0.000 0.386) 2.287 28.194 ( -1.134 0.000 -0.868) 1.428 28.635 ( -1.843 0.000 5.027) 5.355 28.795 ( -8.855 0.000 0.303) 8.860 28.861 ( -4.701 0.000 10.366) 11.383 28.911 ( 0.071 0.000 -10.959) 10.959 29.069 ( -9.869 0.000 6.593) 11.869 29.175 ( -8.896 0.000 -5.475) 10.446 29.613 ( 10.660 0.000 1.194) 10.727 29.727 ( 8.489 0.000 -4.322) 9.526 29.825 ( 4.064 0.000 10.420) 11.184 29.925 ( 3.723 0.000 -11.187) 11.790 30.209 ( 0.342 0.000 -1.714) 1.748 30.337 ( 5.568 0.000 1.827) 5.861 30.594 ( 4.054 0.000 1.085) 4.196 30.606 ( 2.837 0.000 -0.011) 2.837 30.850 ( 2.295 0.000 -5.726) 6.169 30.941 ( 7.272 0.000 11.144) 13.307 ======================= Grid point 76 (40/54) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.506 ( -17.181 0.000 25.840) 31.031 1.664 ( -15.439 0.000 31.531) 35.108 2.227 ( 3.439 0.000 -23.544) 23.793 2.239 ( -14.212 0.000 -9.130) 16.892 2.382 ( -6.885 0.000 10.164) 12.277 2.733 ( -16.494 0.000 -6.724) 17.812 2.886 ( -2.838 0.000 1.752) 3.335 2.947 ( -1.709 0.000 8.034) 8.213 3.101 ( -9.944 0.000 -2.727) 10.312 3.147 ( 11.321 0.000 -2.743) 11.649 3.277 ( 0.892 0.000 10.861) 10.898 3.446 ( -3.915 0.000 -0.786) 3.993 3.489 ( -6.747 0.000 -4.391) 8.050 3.604 ( 4.356 0.000 2.793) 5.175 3.688 ( -5.335 0.000 -1.743) 5.613 3.839 ( -8.125 0.000 6.052) 10.132 3.841 ( 1.621 0.000 -8.031) 8.193 3.955 ( 2.028 0.000 -13.214) 13.369 3.956 ( -5.542 0.000 12.470) 13.646 4.118 ( -5.240 0.000 4.120) 6.665 4.172 ( 0.549 0.000 0.187) 0.580 4.354 ( -8.410 0.000 0.658) 8.436 4.376 ( 10.312 0.000 -3.078) 10.762 4.381 ( 10.996 0.000 -2.982) 11.393 4.393 ( -10.902 0.000 0.118) 10.902 4.580 ( -7.062 0.000 -7.965) 10.645 4.676 ( 8.749 0.000 -4.973) 10.063 4.694 ( -5.894 0.000 -7.429) 9.483 4.738 ( -1.745 0.000 11.097) 11.233 4.846 ( -2.856 0.000 3.846) 4.790 4.879 ( -6.991 0.000 -6.026) 9.230 4.996 ( -9.289 0.000 -11.209) 14.558 5.142 ( 3.997 0.000 -0.835) 4.083 5.159 ( 3.173 0.000 -2.305) 3.922 5.192 ( -11.151 0.000 4.359) 11.972 5.227 ( -2.417 0.000 -2.070) 3.182 5.312 ( 5.559 0.000 3.288) 6.459 5.313 ( 6.227 0.000 -5.535) 8.331 5.390 ( -3.600 0.000 9.042) 9.732 5.495 ( -2.162 0.000 3.569) 4.173 5.525 ( 1.701 0.000 10.871) 11.003 5.590 ( 4.469 0.000 -5.651) 7.204 5.590 ( -8.321 0.000 8.951) 12.222 5.704 ( 1.015 0.000 -7.535) 7.603 5.806 ( 1.225 0.000 1.557) 1.981 5.875 ( -2.619 0.000 -5.982) 6.530 5.914 ( 0.311 0.000 3.178) 3.193 5.965 ( 7.530 0.000 -6.630) 10.033 6.066 ( -4.619 0.000 4.092) 6.171 6.187 ( -3.399 0.000 0.297) 3.412 6.375 ( -1.240 0.000 -0.823) 1.488 6.434 ( -1.621 0.000 2.118) 2.667 6.568 ( 10.028 0.000 5.568) 11.470 6.674 ( 13.189 0.000 3.089) 13.546 6.852 ( 5.029 0.000 -4.586) 6.806 6.886 ( 0.046 0.000 -4.187) 4.187 6.949 ( 0.224 0.000 2.310) 2.320 7.059 ( 1.352 0.000 -11.431) 11.511 7.128 ( -0.219 0.000 6.126) 6.130 7.276 ( -2.998 0.000 -3.897) 4.917 7.286 ( 4.731 0.000 -1.735) 5.040 7.326 ( 2.942 0.000 -6.101) 6.773 7.390 ( 4.061 0.000 3.484) 5.351 7.551 ( -2.813 0.000 0.238) 2.823 7.575 ( -3.967 0.000 -5.501) 6.782 7.600 ( 8.289 0.000 5.686) 10.052 7.740 ( -6.606 0.000 -4.236) 7.847 7.771 ( -3.264 0.000 2.276) 3.979 7.797 ( 4.126 0.000 -4.377) 6.015 7.908 ( 7.051 0.000 11.209) 13.243 8.076 ( 4.655 0.000 -4.736) 6.641 8.121 ( -1.975 0.000 1.032) 2.228 8.171 ( -0.448 0.000 0.473) 0.652 8.225 ( 1.358 0.000 -2.191) 2.578 8.420 ( 9.502 0.000 0.831) 9.538 8.437 ( -1.284 0.000 12.708) 12.773 8.674 ( 8.879 0.000 -0.630) 8.902 8.733 ( 0.697 0.000 -2.273) 2.377 8.828 ( -3.940 0.000 -0.998) 4.065 8.894 ( -0.263 0.000 -0.250) 0.363 8.947 ( 0.857 0.000 -6.045) 6.106 8.961 ( -3.969 0.000 -2.940) 4.940 9.119 ( 2.389 0.000 2.639) 3.560 9.214 ( 1.497 0.000 5.098) 5.313 9.374 ( 4.516 0.000 -3.779) 5.889 9.382 ( 5.430 0.000 0.467) 5.450 9.407 ( 0.928 0.000 4.627) 4.719 9.579 ( 0.486 0.000 2.242) 2.294 9.698 ( 2.181 0.000 1.936) 2.916 9.837 ( 0.221 0.000 -7.827) 7.830 9.954 ( -1.089 0.000 0.658) 1.272 9.954 ( 0.495 0.000 -1.675) 1.747 9.995 ( 0.456 0.000 1.635) 1.697 10.093 ( 2.021 0.000 -1.666) 2.619 10.211 ( -0.023 0.000 2.978) 2.978 10.256 ( -1.879 0.000 1.606) 2.472 10.367 ( -1.274 0.000 6.121) 6.253 10.483 ( -3.412 0.000 -4.945) 6.008 10.500 ( -4.904 0.000 2.715) 5.605 10.618 ( -3.830 0.000 2.268) 4.451 10.935 ( -1.983 0.000 -0.066) 1.984 10.955 ( -0.262 0.000 -3.037) 3.048 11.084 ( 12.778 0.000 3.458) 13.237 11.238 ( 11.485 0.000 -0.077) 11.485 11.370 ( 2.375 0.000 -0.161) 2.380 11.439 ( -0.507 0.000 -3.386) 3.423 11.716 ( 7.440 0.000 -0.733) 7.476 11.766 ( 4.100 0.000 0.232) 4.106 11.863 ( -0.586 0.000 0.270) 0.645 11.937 ( 6.154 0.000 0.912) 6.221 12.089 ( 7.151 0.000 2.795) 7.678 12.205 ( 4.758 0.000 -3.494) 5.903 12.476 ( 0.817 0.000 -3.031) 3.139 12.480 ( 10.519 0.000 1.580) 10.637 12.728 ( 0.601 0.000 3.999) 4.044 12.860 ( 7.685 0.000 4.768) 9.044 13.032 ( -3.521 0.000 -4.837) 5.982 13.166 ( -9.226 0.000 -8.227) 12.361 13.231 ( -0.330 0.000 3.131) 3.148 13.469 ( -7.671 0.000 -2.729) 8.142 13.565 ( -12.835 0.000 3.429) 13.285 13.573 ( -3.663 0.000 4.453) 5.766 13.934 ( -7.316 0.000 -5.768) 9.316 14.066 ( -11.072 0.000 -1.009) 11.118 14.103 ( -9.495 0.000 2.712) 9.874 14.224 ( 6.283 0.000 -0.942) 6.353 14.249 ( -5.391 0.000 -1.532) 5.605 14.354 ( -7.381 0.000 6.680) 9.955 14.371 ( -21.055 0.000 1.285) 21.094 14.602 ( -8.812 0.000 -5.055) 10.159 15.091 ( 4.222 0.000 -1.135) 4.372 15.219 ( -3.625 0.000 1.794) 4.044 15.343 ( -4.186 0.000 7.188) 8.318 15.410 ( -5.843 0.000 5.639) 8.121 15.567 ( 2.800 0.000 -3.169) 4.229 15.616 ( -4.385 0.000 2.540) 5.068 15.907 ( -1.307 0.000 -2.154) 2.520 16.019 ( -5.405 0.000 -6.623) 8.549 16.186 ( 1.447 0.000 -1.471) 2.063 16.202 ( 2.366 0.000 1.184) 2.646 16.519 ( 5.339 0.000 4.043) 6.697 16.552 ( 4.603 0.000 1.238) 4.767 16.724 ( -3.472 0.000 2.303) 4.166 16.787 ( -2.901 0.000 -5.885) 6.562 17.330 ( 3.732 0.000 -1.025) 3.870 17.468 ( -1.928 0.000 1.082) 2.211 17.508 ( -0.777 0.000 0.222) 0.808 17.675 ( -5.065 0.000 -6.964) 8.611 19.124 ( 8.046 0.000 2.497) 8.425 19.167 ( 9.319 0.000 -2.397) 9.622 19.264 ( 8.070 0.000 -0.057) 8.071 19.279 ( 7.659 0.000 0.023) 7.659 24.992 ( 2.593 0.000 2.222) 3.415 25.075 ( 0.238 0.000 -4.520) 4.526 25.362 ( -14.511 0.000 3.717) 14.979 25.414 ( -17.330 0.000 -6.180) 18.399 26.881 ( 1.403 0.000 -0.395) 1.458 26.906 ( 1.090 0.000 0.734) 1.315 26.968 ( 1.593 0.000 0.937) 1.848 27.025 ( 0.219 0.000 -0.914) 0.940 27.619 ( -0.943 0.000 1.441) 1.722 27.623 ( -0.226 0.000 -1.678) 1.693 28.128 ( -2.535 0.000 0.562) 2.597 28.159 ( -2.278 0.000 -1.674) 2.827 28.610 ( -0.766 0.000 2.746) 2.850 28.673 ( -3.829 0.000 -0.208) 3.835 28.798 ( -2.244 0.000 9.180) 9.450 28.885 ( -7.922 0.000 6.403) 10.186 28.903 ( 0.041 0.000 -9.325) 9.325 29.011 ( -6.757 0.000 -4.797) 8.287 29.712 ( 2.085 0.000 -0.872) 2.260 29.831 ( 2.296 0.000 -6.296) 6.701 30.057 ( 8.762 0.000 -6.704) 11.033 30.061 ( 15.227 0.000 12.218) 19.523 30.209 ( 0.758 0.000 -0.813) 1.111 30.328 ( -3.784 0.000 -2.487) 4.528 30.524 ( -9.592 0.000 -1.131) 9.658 30.617 ( -1.418 0.000 -3.157) 3.461 31.104 ( 6.907 0.000 14.632) 16.181 31.113 ( 19.707 0.000 -3.029) 19.939 ======================= Grid point 77 (41/54) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -1.350 7.589 33.353) 34.232 1.644 ( 12.167 14.793 29.318) 35.020 2.144 ( -12.496 7.033 -22.529) 26.705 2.177 ( 1.196 -0.563 -27.508) 27.540 2.575 ( 3.122 20.753 18.483) 27.965 2.711 ( -2.244 2.240 -2.732) 4.185 2.770 ( -1.265 -0.833 5.667) 5.866 2.887 ( 3.960 6.164 -1.697) 7.521 3.040 ( 3.208 -1.607 8.208) 8.958 3.219 ( -0.251 -1.759 -4.656) 4.984 3.241 ( -1.082 -2.805 7.313) 7.907 3.402 ( 4.982 -0.040 -2.688) 5.661 3.501 ( 1.059 2.985 4.284) 5.328 3.710 ( -6.409 0.658 7.865) 10.167 3.808 ( -0.878 5.830 -4.982) 7.719 3.846 ( 8.924 6.954 1.555) 11.419 3.886 ( 2.890 0.872 -3.859) 4.900 3.971 ( 4.607 5.127 3.888) 7.914 4.004 ( -5.964 3.003 -0.743) 6.718 4.024 ( -6.820 5.547 -11.684) 14.622 4.106 ( -7.175 0.627 -1.701) 7.400 4.125 ( 0.858 0.710 -3.325) 3.507 4.320 ( -0.577 3.450 -0.443) 3.526 4.458 ( 5.153 4.322 -16.060) 17.411 4.554 ( -4.074 -3.443 9.085) 10.536 4.574 ( -2.417 -3.719 5.800) 7.302 4.644 ( -2.077 0.801 0.070) 2.227 4.690 ( 3.847 1.304 -5.760) 7.048 4.755 ( 5.535 5.528 3.917) 8.749 4.803 ( -4.832 -0.448 1.735) 5.153 4.962 ( -1.468 2.540 0.538) 2.983 5.002 ( 5.561 1.386 3.266) 6.597 5.018 ( -0.523 -0.703 0.263) 0.915 5.053 ( -5.950 -2.998 2.302) 7.050 5.104 ( 0.908 -3.131 -1.367) 3.535 5.130 ( -0.407 -2.553 -3.127) 4.058 5.219 ( -2.586 -3.461 3.666) 5.667 5.289 ( 0.646 -8.399 -4.181) 9.404 5.400 ( 1.591 -2.613 -1.086) 3.247 5.453 ( 2.057 -2.352 -2.147) 3.792 5.562 ( -2.283 0.160 5.443) 5.905 5.659 ( 0.233 -1.888 -0.865) 2.089 5.672 ( -1.765 -1.124 1.206) 2.416 5.705 ( 3.602 -2.380 -4.124) 5.970 5.738 ( 1.649 5.479 -0.226) 5.727 5.827 ( -3.106 5.162 -8.121) 10.112 6.009 ( 1.245 1.479 0.769) 2.080 6.048 ( 0.325 1.015 -3.330) 3.497 6.163 ( -2.678 2.511 4.335) 5.680 6.228 ( 3.744 6.214 -2.803) 7.778 6.409 ( -0.858 2.763 4.503) 5.353 6.447 ( -0.131 6.203 1.092) 6.300 6.716 ( 1.002 -6.235 -0.280) 6.321 6.757 ( 0.563 -7.368 -4.733) 8.776 6.771 ( 6.076 -2.228 1.849) 6.730 6.842 ( -3.024 2.612 -4.314) 5.880 7.012 ( -6.604 -6.288 2.352) 9.417 7.030 ( 8.508 -5.092 1.624) 10.047 7.072 ( -6.894 -0.054 3.915) 7.928 7.222 ( -0.809 -2.154 -0.246) 2.314 7.235 ( 2.941 -0.557 -8.849) 9.342 7.293 ( -2.037 0.019 -5.020) 5.418 7.431 ( 2.981 -2.525 4.479) 5.944 7.506 ( 1.662 -3.518 -0.579) 3.934 7.519 ( 0.631 -2.103 -0.497) 2.252 7.584 ( -6.122 -3.834 -2.345) 7.595 7.644 ( -1.782 -1.160 3.162) 3.810 7.730 ( 0.062 -0.659 -4.495) 4.543 7.890 ( 6.923 0.903 6.131) 9.291 7.993 ( -5.411 1.069 -2.832) 6.200 8.063 ( -1.788 -0.720 7.152) 7.407 8.152 ( 3.827 1.049 -0.487) 3.998 8.226 ( 0.499 2.915 -1.237) 3.205 8.238 ( -2.062 3.834 -1.201) 4.515 8.411 ( -1.232 -0.712 8.947) 9.059 8.537 ( 2.694 -2.106 -1.381) 3.688 8.664 ( -1.016 -3.724 0.794) 3.941 8.711 ( -3.529 -4.057 -1.925) 5.711 8.795 ( 1.789 0.420 -0.265) 1.857 8.814 ( -0.989 2.243 -1.932) 3.121 8.985 ( 0.355 1.536 1.042) 1.889 9.008 ( -2.240 3.042 -1.175) 3.956 9.179 ( 1.659 -3.893 0.801) 4.307 9.198 ( 2.904 -4.554 -1.572) 5.625 9.369 ( -1.644 0.407 4.038) 4.379 9.394 ( -0.824 -1.335 4.330) 4.605 9.427 ( 5.814 -4.455 0.167) 7.326 9.503 ( -3.726 -3.529 -4.675) 6.942 9.669 ( -2.421 -0.593 5.399) 5.947 9.778 ( 1.065 -5.955 -5.486) 8.166 9.943 ( 0.687 1.949 5.230) 5.624 10.032 ( -2.177 4.880 -1.910) 5.674 10.154 ( 0.341 5.265 0.716) 5.325 10.176 ( 0.768 -0.156 -1.838) 1.998 10.210 ( 1.789 2.764 -0.412) 3.318 10.267 ( 0.204 6.059 -4.337) 7.454 10.407 ( 0.937 0.980 4.399) 4.603 10.466 ( 4.777 1.652 2.900) 5.828 10.507 ( -2.486 1.394 -2.969) 4.116 10.587 ( 0.548 4.829 -6.807) 8.363 10.865 ( -2.524 -2.394 4.604) 5.771 10.957 ( -0.270 0.247 -3.943) 3.960 11.207 ( -0.305 -0.734 11.682) 11.709 11.308 ( -1.636 -4.011 6.557) 7.859 11.443 ( 1.647 -0.338 -7.645) 7.828 11.467 ( 0.135 -0.767 -7.309) 7.350 11.751 ( -1.285 -0.550 2.611) 2.962 11.798 ( 2.235 -1.463 -1.822) 3.234 11.913 ( -3.786 -0.100 2.328) 4.446 11.986 ( 0.750 1.328 -4.626) 4.871 12.127 ( -1.268 -1.327 8.607) 8.800 12.271 ( 0.932 -4.124 -4.667) 6.298 12.379 ( 1.940 -1.072 0.392) 2.251 12.446 ( -5.465 -1.981 -5.626) 8.089 12.830 ( 0.984 -5.297 2.247) 5.838 12.885 ( -1.732 -6.286 -3.265) 7.292 13.096 ( 9.980 1.893 2.974) 10.584 13.148 ( -4.232 -0.283 -2.077) 4.723 13.272 ( 11.367 0.975 2.180) 11.615 13.327 ( -2.799 -0.591 -2.821) 4.018 13.415 ( -4.358 7.177 1.388) 8.511 13.461 ( -1.812 5.672 -2.831) 6.594 13.834 ( -1.836 -2.183 -0.022) 2.853 13.857 ( 1.328 -4.564 -1.909) 5.123 14.075 ( 5.016 2.741 4.253) 7.125 14.144 ( -3.710 3.733 -2.601) 5.870 14.289 ( 7.920 -2.805 5.467) 10.024 14.357 ( -3.683 -0.505 -0.970) 3.842 14.392 ( -2.840 10.677 3.458) 11.577 14.500 ( -1.425 7.045 -7.576) 10.443 15.130 ( -3.912 -1.921 2.749) 5.153 15.185 ( 5.162 -1.084 -2.580) 5.872 15.308 ( -1.432 -0.836 3.080) 3.498 15.330 ( 5.973 -1.332 0.836) 6.176 15.567 ( -1.412 0.649 2.481) 2.927 15.625 ( 1.186 0.893 -2.840) 3.205 15.841 ( -2.940 -5.314 -0.715) 6.115 15.860 ( 0.625 -5.691 -2.861) 6.401 16.239 ( -1.802 3.888 1.102) 4.425 16.262 ( 2.460 3.638 -1.254) 4.568 16.571 ( 2.669 -3.096 2.346) 4.713 16.598 ( -2.879 -4.547 -0.422) 5.399 16.680 ( 2.190 2.811 2.501) 4.354 16.729 ( -3.436 1.283 -2.101) 4.227 17.418 ( -2.304 0.390 0.701) 2.440 17.429 ( 2.920 0.647 -0.328) 3.008 17.506 ( 0.645 -0.111 1.285) 1.442 17.536 ( -4.130 -0.986 -1.590) 4.535 19.218 ( -0.060 0.966 2.555) 2.733 19.270 ( 0.129 0.703 -2.680) 2.774 19.331 ( -0.001 -2.335 0.869) 2.491 19.345 ( 0.093 -1.283 -0.553) 1.400 25.065 ( 0.246 1.399 1.685) 2.204 25.099 ( -0.617 1.167 -1.760) 2.200 25.168 ( -0.345 -0.556 1.342) 1.493 25.196 ( 0.706 -0.802 -1.478) 1.824 26.897 ( 0.277 -0.743 0.037) 0.794 26.906 ( 0.236 -0.152 -0.966) 1.006 26.986 ( -1.744 -1.225 1.437) 2.570 27.027 ( 2.019 0.249 -2.993) 3.619 27.745 ( -0.644 11.729 0.851) 11.778 27.769 ( 0.352 11.953 -1.583) 12.062 28.102 ( -0.261 -0.434 0.634) 0.812 28.118 ( 0.065 -0.509 -1.061) 1.178 28.608 ( 0.384 0.214 5.604) 5.621 28.644 ( -1.282 0.950 4.996) 5.245 28.774 ( -2.064 1.582 1.425) 2.965 28.836 ( 2.076 0.692 -0.894) 2.364 28.895 ( -0.235 0.873 -0.857) 1.246 28.976 ( 1.776 1.838 -7.858) 8.263 29.732 ( 0.677 -1.049 0.416) 1.316 29.801 ( -1.507 -2.751 -6.425) 7.150 30.141 ( -6.821 -2.170 3.874) 8.139 30.192 ( 3.930 -1.406 -1.398) 4.402 30.254 ( 1.539 0.046 -0.090) 1.542 30.262 ( -3.783 -0.305 -0.799) 3.879 30.411 ( 5.433 -0.504 3.970) 6.747 30.513 ( -2.834 -3.706 -5.850) 7.483 31.125 ( -2.793 -2.030 12.080) 12.564 31.301 ( 5.330 -8.511 -5.230) 11.323 ======================= Grid point 78 (42/54) ======================= q-point: ( 0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 9.291 7.365 25.855) 28.443 1.921 ( 11.574 15.058 16.925) 25.439 2.068 ( 8.728 7.833 -6.060) 13.201 2.272 ( 7.528 0.163 -25.689) 26.770 2.694 ( 1.014 -2.030 -0.571) 2.340 2.771 ( 12.843 7.220 9.526) 17.545 2.927 ( 10.665 -2.720 0.422) 11.015 2.931 ( 2.537 4.111 -2.400) 5.394 3.087 ( -6.048 4.807 -5.803) 9.663 3.177 ( 7.906 3.251 5.364) 10.092 3.324 ( 0.389 -8.014 -1.795) 8.221 3.469 ( 2.405 5.185 8.773) 10.471 3.565 ( 6.087 3.764 -3.626) 8.023 3.649 ( -3.141 5.933 5.400) 8.615 3.747 ( -3.500 2.629 -4.277) 6.120 3.757 ( -2.155 5.888 -5.730) 8.494 3.827 ( -0.789 6.804 -3.670) 7.771 4.018 ( 8.018 5.861 -0.630) 9.951 4.085 ( 8.933 -5.768 3.868) 11.315 4.124 ( 3.811 2.974 1.104) 4.958 4.162 ( 7.777 -1.822 -2.732) 8.441 4.207 ( -2.424 -0.782 3.389) 4.240 4.334 ( 4.692 2.010 1.080) 5.217 4.436 ( -5.280 -2.596 0.536) 5.908 4.515 ( -4.084 -0.455 5.826) 7.129 4.578 ( 3.576 5.145 -0.679) 6.303 4.658 ( 2.228 2.636 1.190) 3.651 4.698 ( 1.256 6.859 -6.670) 9.649 4.728 ( 0.850 2.207 0.787) 2.492 4.829 ( -1.253 4.537 0.426) 4.726 4.922 ( -1.896 -6.685 -0.895) 7.006 4.964 ( 2.953 2.118 -2.242) 4.270 4.973 ( -2.525 -2.921 2.267) 4.477 5.121 ( 2.748 -1.936 1.313) 3.608 5.181 ( 0.818 4.336 4.019) 5.969 5.206 ( 6.640 2.293 1.755) 7.241 5.217 ( 5.024 -1.306 3.422) 6.217 5.342 ( 2.959 -5.731 -7.055) 9.559 5.397 ( 0.846 -6.249 -1.538) 6.491 5.500 ( 1.956 -2.863 4.048) 5.330 5.518 ( 0.637 -1.388 -4.217) 4.485 5.583 ( -1.191 2.694 0.801) 3.053 5.694 ( 1.553 -5.628 7.270) 9.324 5.753 ( 2.543 -0.146 -1.524) 2.968 5.811 ( 1.947 3.399 -6.990) 8.013 5.837 ( 1.999 4.282 -2.356) 5.280 5.944 ( -6.690 0.757 -2.115) 7.057 6.057 ( -1.146 -1.714 -0.097) 2.064 6.102 ( -1.378 3.664 -5.122) 6.447 6.259 ( 1.994 4.119 1.454) 4.802 6.345 ( -3.021 1.936 5.596) 6.648 6.470 ( 1.981 1.140 1.445) 2.704 6.646 ( -10.836 2.704 -2.153) 11.374 6.690 ( -6.475 -7.499 -4.331) 10.813 6.747 ( -3.709 -6.641 -3.831) 8.517 6.822 ( -4.953 -3.061 -5.861) 8.261 6.890 ( -6.211 -2.334 3.489) 7.497 7.004 ( 3.011 -0.641 4.836) 5.732 7.120 ( -3.445 -1.019 0.243) 3.601 7.173 ( -4.608 -4.655 4.267) 7.817 7.250 ( 1.358 -2.290 -5.381) 6.004 7.338 ( 3.821 -0.888 -1.750) 4.295 7.402 ( -1.366 -3.203 -1.933) 3.983 7.468 ( -3.029 -3.913 0.278) 4.956 7.477 ( -2.373 0.286 1.509) 2.827 7.636 ( 2.424 -0.606 0.597) 2.569 7.683 ( 7.096 -3.033 1.249) 7.818 7.747 ( 0.811 -1.380 -0.697) 1.746 7.859 ( -8.743 4.339 -3.172) 10.264 7.930 ( -5.305 0.147 5.298) 7.498 8.021 ( -0.100 -2.534 4.352) 5.037 8.128 ( -6.128 5.267 -0.656) 8.107 8.183 ( -1.243 0.822 1.965) 2.466 8.214 ( -2.223 1.395 -1.773) 3.167 8.416 ( 0.093 -3.100 1.299) 3.362 8.552 ( -1.774 -3.272 3.188) 4.900 8.667 ( -2.602 -1.415 -0.035) 2.962 8.698 ( 2.684 -3.840 2.692) 5.403 8.738 ( -5.261 -2.082 1.734) 5.918 8.786 ( -0.715 1.894 -0.607) 2.113 8.909 ( -5.274 1.186 -0.361) 5.418 9.032 ( 3.079 3.433 -1.040) 4.727 9.171 ( -2.612 -2.238 -3.732) 5.075 9.239 ( -4.522 -3.398 3.206) 6.502 9.268 ( 2.640 -2.820 -2.276) 4.483 9.343 ( -5.427 -0.446 0.145) 5.447 9.455 ( -0.168 0.030 0.622) 0.645 9.531 ( 1.037 -4.029 2.964) 5.108 9.649 ( 0.675 0.009 0.283) 0.732 9.815 ( 1.360 -0.850 -0.571) 1.703 9.949 ( -0.816 3.545 2.317) 4.312 9.999 ( 1.104 3.592 -0.077) 3.759 10.112 ( -1.922 0.451 -1.773) 2.654 10.191 ( -2.443 8.131 -2.125) 8.752 10.258 ( 2.403 0.202 -1.313) 2.746 10.287 ( 2.879 -1.271 -1.552) 3.509 10.417 ( 2.230 3.674 2.017) 4.747 10.473 ( -0.778 1.836 -5.544) 5.891 10.560 ( 4.442 0.941 -0.906) 4.630 10.686 ( 5.804 1.532 -1.927) 6.305 10.808 ( -3.110 -5.538 5.008) 8.088 10.948 ( -2.230 1.791 1.812) 3.385 11.059 ( -11.879 -2.946 3.425) 12.710 11.190 ( -7.346 1.692 2.909) 8.080 11.428 ( 0.278 0.665 -5.073) 5.124 11.462 ( 1.332 0.824 -3.066) 3.443 11.665 ( -6.119 -1.585 0.289) 6.327 11.732 ( -6.861 -1.730 1.174) 7.172 11.853 ( -3.281 1.315 3.769) 5.167 11.968 ( -4.593 -2.638 -2.370) 5.802 12.044 ( -5.500 1.421 7.314) 9.260 12.188 ( -5.384 0.365 0.230) 5.401 12.364 ( -4.452 -4.363 -4.176) 7.503 12.436 ( 2.740 -2.509 0.259) 3.724 12.895 ( -0.388 0.185 -3.367) 3.394 12.927 ( 3.938 -1.596 1.908) 4.658 12.992 ( -6.694 1.791 -4.052) 8.027 13.109 ( -2.055 4.983 1.011) 5.484 13.260 ( 0.796 -4.347 -5.766) 7.265 13.414 ( 5.462 -0.129 1.944) 5.799 13.548 ( 11.438 -1.082 0.544) 11.502 13.731 ( 16.084 3.755 -2.471) 16.700 13.830 ( -1.963 -3.313 1.134) 4.015 14.001 ( 10.823 -3.423 -2.001) 11.526 14.161 ( 4.166 0.384 -0.827) 4.265 14.209 ( -2.534 -0.753 -0.685) 2.731 14.277 ( 7.164 0.688 1.423) 7.336 14.385 ( 7.936 4.243 0.509) 9.014 14.553 ( 15.539 2.748 1.949) 15.900 14.610 ( 10.883 6.837 -3.977) 13.454 15.060 ( -1.972 -0.872 0.324) 2.180 15.228 ( 1.740 -0.997 -0.617) 2.098 15.384 ( 7.348 -4.141 -0.459) 8.447 15.488 ( 2.796 -0.298 1.908) 3.398 15.533 ( 0.927 -0.071 -6.669) 6.733 15.669 ( 4.068 0.042 -1.229) 4.249 15.815 ( -0.270 -6.264 1.161) 6.376 15.922 ( 5.115 -4.710 -0.268) 6.958 16.189 ( -2.724 2.613 0.430) 3.799 16.293 ( 0.003 6.949 -2.685) 7.449 16.476 ( -5.270 -4.133 0.249) 6.702 16.617 ( -2.361 0.717 2.285) 3.363 16.681 ( 1.365 2.115 2.771) 3.744 16.752 ( 4.270 -0.533 -0.710) 4.361 17.330 ( -4.387 1.630 0.797) 4.747 17.466 ( 0.273 -1.771 -0.032) 1.792 17.525 ( 2.062 0.955 -0.259) 2.287 17.558 ( 3.672 0.191 3.411) 5.015 19.132 ( -8.430 1.046 2.064) 8.741 19.180 ( -8.905 0.515 -2.177) 9.181 19.247 ( -7.048 -1.616 0.011) 7.231 19.262 ( -7.892 -1.372 -0.280) 8.015 25.030 ( -1.303 2.341 2.294) 3.527 25.074 ( -0.846 2.504 -3.156) 4.116 25.288 ( 10.010 -3.888 2.477) 11.021 25.377 ( 13.929 -6.113 -3.702) 15.655 26.886 ( -0.342 0.354 -0.764) 0.909 26.925 ( 0.705 0.010 -0.843) 1.099 26.950 ( -1.790 -1.057 1.165) 2.383 27.056 ( 0.748 1.100 -3.159) 3.428 27.737 ( 0.198 11.951 0.813) 11.980 27.787 ( 1.090 12.469 -0.881) 12.547 28.125 ( 2.678 -0.920 0.507) 2.877 28.159 ( 3.269 0.884 -0.665) 3.451 28.624 ( 0.712 -0.666 6.043) 6.121 28.650 ( 2.106 1.254 6.881) 7.304 28.770 ( 1.569 3.637 -2.400) 4.631 28.912 ( 4.550 -1.100 -2.411) 5.265 28.931 ( 5.134 1.437 0.970) 5.419 29.059 ( 6.766 -0.211 -8.125) 10.575 29.699 ( -5.048 -2.951 0.656) 5.884 29.742 ( -3.410 -1.970 -2.648) 4.746 29.903 ( -13.255 1.307 8.098) 15.588 30.155 ( -5.054 -3.769 -2.029) 6.623 30.242 ( -3.617 0.891 -1.976) 4.217 30.279 ( 2.581 -0.577 1.272) 2.934 30.526 ( 5.191 -1.246 -1.864) 5.655 30.551 ( 5.181 -1.773 0.520) 5.501 30.967 ( -12.849 -0.497 8.235) 15.269 31.246 ( -8.920 -8.560 -5.648) 13.592 ======================= Grid point 79 (43/54) ======================= q-point: ( 0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 11.852 7.619 12.319) 18.716 2.251 ( 21.367 5.506 1.692) 22.130 2.289 ( 11.925 12.813 13.365) 22.023 2.465 ( 11.759 -0.655 -14.717) 18.850 2.654 ( -3.062 -1.828 0.934) 3.686 2.786 ( -8.771 -0.760 2.611) 9.183 2.892 ( -6.251 9.373 -5.068) 12.354 3.002 ( -2.463 0.927 -7.456) 7.906 3.168 ( 8.936 -1.224 -2.949) 9.489 3.326 ( 7.426 1.300 -3.861) 8.470 3.390 ( 2.411 0.949 1.328) 2.911 3.448 ( -4.266 2.205 -4.612) 6.658 3.599 ( 0.035 4.151 4.787) 6.336 3.703 ( 6.499 4.536 9.917) 12.695 3.736 ( 0.369 1.714 -2.744) 3.257 3.808 ( 7.538 -0.263 -7.082) 10.347 3.948 ( 4.165 2.587 -5.499) 7.367 4.033 ( -5.140 -2.844 6.333) 8.638 4.099 ( 0.624 -0.925 2.571) 2.803 4.175 ( -6.515 3.013 -2.838) 7.718 4.214 ( 0.591 1.097 -4.456) 4.627 4.281 ( 6.108 3.315 1.176) 7.048 4.341 ( 4.234 -4.058 -1.349) 6.018 4.406 ( 2.026 1.998 -1.347) 3.149 4.542 ( 0.477 1.859 7.947) 8.175 4.646 ( 5.587 2.757 2.956) 6.896 4.722 ( 8.594 1.814 3.113) 9.319 4.747 ( 1.134 -0.473 7.982) 8.076 4.836 ( 3.691 1.427 4.362) 5.890 4.911 ( 5.870 4.267 -2.438) 7.655 4.957 ( 12.015 -0.452 3.360) 12.484 4.992 ( 1.872 2.418 -2.704) 4.082 5.030 ( 4.078 -1.045 -3.684) 5.594 5.094 ( 1.287 -3.077 -1.711) 3.748 5.168 ( -2.922 2.947 0.088) 4.151 5.202 ( -0.182 4.696 4.417) 6.450 5.306 ( 0.904 1.857 -0.864) 2.239 5.442 ( 1.291 -1.331 0.141) 1.860 5.487 ( 2.781 -0.356 0.691) 2.888 5.500 ( 1.138 4.113 -1.741) 4.609 5.573 ( -4.722 -1.193 -4.016) 6.313 5.634 ( 2.548 -0.478 -0.792) 2.711 5.721 ( 7.899 1.177 -0.001) 7.986 5.795 ( 9.837 -4.315 6.246) 12.426 5.822 ( -3.608 -0.781 -6.590) 7.554 5.888 ( 5.493 1.883 -3.845) 6.964 5.927 ( 3.389 4.555 1.367) 5.839 5.995 ( 3.321 -2.430 -1.416) 4.352 6.211 ( 5.176 -5.856 -0.719) 7.849 6.279 ( -3.713 0.083 4.178) 5.590 6.308 ( 1.277 3.265 -0.349) 3.523 6.379 ( -9.233 0.596 5.047) 10.539 6.469 ( -4.391 4.972 -3.145) 7.342 6.564 ( -8.387 -7.443 -1.170) 11.275 6.679 ( -2.819 -6.904 0.285) 7.463 6.729 ( -2.154 6.358 4.103) 7.868 6.780 ( -1.785 -4.545 -4.917) 6.929 6.905 ( -10.031 -10.578 -0.712) 14.595 7.105 ( -3.045 -2.530 1.911) 4.396 7.124 ( 2.016 1.615 0.352) 2.607 7.190 ( -6.257 -3.800 -2.766) 7.825 7.325 ( -3.986 -4.033 0.237) 5.676 7.367 ( -6.163 -1.710 -6.085) 8.828 7.390 ( -3.337 -2.022 -1.085) 4.050 7.514 ( -0.348 -2.023 6.250) 6.578 7.633 ( -5.806 -0.626 3.716) 6.922 7.669 ( -3.801 -0.383 -0.769) 3.897 7.689 ( -2.950 -0.741 -0.690) 3.119 7.775 ( -6.852 3.200 1.392) 7.690 7.841 ( 0.775 -5.182 -1.924) 5.581 8.006 ( -1.105 -1.770 4.727) 5.167 8.053 ( -1.133 5.102 -0.883) 5.301 8.128 ( -3.419 0.863 2.645) 4.408 8.191 ( 0.082 -0.000 -1.990) 1.992 8.358 ( -5.404 -2.903 -6.539) 8.966 8.478 ( -5.688 -1.898 2.185) 6.382 8.523 ( -6.046 0.485 0.812) 6.120 8.617 ( -6.989 -1.642 0.769) 7.220 8.790 ( 4.516 0.635 4.353) 6.305 8.823 ( 1.795 -2.442 5.896) 6.629 8.872 ( 1.707 -3.264 -2.329) 4.358 9.050 ( -2.607 -2.593 0.808) 3.765 9.113 ( -0.995 -0.505 -3.294) 3.478 9.175 ( -2.796 0.606 1.288) 3.137 9.257 ( -0.969 2.634 -1.748) 3.306 9.348 ( 3.917 1.321 0.292) 4.144 9.470 ( -0.168 -1.916 -2.394) 3.071 9.496 ( -2.609 -4.454 2.226) 5.621 9.669 ( 1.774 4.564 -2.255) 5.391 9.834 ( 0.628 4.840 3.785) 6.176 9.913 ( -2.936 -0.476 -2.246) 3.727 10.023 ( -0.694 2.201 -0.975) 2.505 10.080 ( -0.643 0.997 0.486) 1.282 10.168 ( 1.534 6.089 -1.366) 6.426 10.301 ( 2.463 -0.988 -1.329) 2.968 10.338 ( 1.081 0.405 2.853) 3.078 10.456 ( 1.346 1.122 -4.161) 4.515 10.498 ( 3.798 2.541 -1.429) 4.788 10.667 ( -1.176 -4.492 0.041) 4.643 10.675 ( -3.806 -3.598 3.057) 6.065 10.709 ( -1.744 -1.881 0.499) 2.613 10.896 ( -0.700 3.117 1.347) 3.467 10.973 ( 3.213 -1.459 -1.205) 3.729 11.118 ( -0.840 2.234 -0.273) 2.402 11.452 ( 0.165 -0.121 -1.980) 1.990 11.508 ( -0.073 0.764 -3.587) 3.668 11.589 ( 0.333 -0.059 0.775) 0.845 11.635 ( -0.936 -0.450 1.850) 2.122 11.735 ( -7.593 -1.001 2.359) 8.014 11.819 ( -8.417 -2.993 -0.087) 8.934 11.950 ( -4.273 2.443 4.083) 6.395 12.084 ( -6.002 2.506 2.709) 7.046 12.262 ( -5.513 -1.735 -2.663) 6.364 12.462 ( -0.836 -1.621 -2.754) 3.304 12.796 ( -6.185 2.178 -3.634) 7.497 12.872 ( -3.253 4.920 -1.738) 6.149 12.977 ( -1.286 -0.592 2.072) 2.509 13.152 ( 5.739 -3.785 2.807) 7.426 13.348 ( 6.592 -0.628 -1.842) 6.873 13.525 ( 0.343 -3.307 -0.775) 3.414 13.641 ( 1.351 2.718 2.241) 3.773 13.787 ( 1.714 -1.681 -0.948) 2.581 13.946 ( 1.418 -0.315 -2.884) 3.229 14.100 ( -0.760 -3.506 -5.333) 6.428 14.269 ( 11.230 -2.019 2.057) 11.594 14.319 ( 11.561 -0.517 0.287) 11.576 14.473 ( 11.629 3.144 1.739) 12.171 14.570 ( 9.468 -0.917 0.446) 9.523 14.826 ( 11.727 7.344 1.449) 13.913 14.892 ( 13.663 3.742 -2.293) 14.351 15.101 ( 6.412 -0.260 -1.238) 6.536 15.284 ( 3.344 0.050 0.675) 3.412 15.436 ( -3.939 2.234 0.910) 4.619 15.519 ( -0.747 -2.098 -2.673) 3.479 15.561 ( 6.732 -6.037 -2.839) 9.478 15.758 ( -0.867 -2.710 4.396) 5.236 15.788 ( 0.884 -3.773 -3.387) 5.147 15.981 ( -1.087 -4.818 2.087) 5.362 16.157 ( -1.397 2.343 -0.787) 2.839 16.264 ( 0.127 0.045 0.581) 0.596 16.444 ( 1.116 3.172 -4.363) 5.509 16.557 ( -3.039 3.058 -0.427) 4.332 16.739 ( 3.602 1.618 5.543) 6.806 16.838 ( 4.181 -0.978 -2.721) 5.083 17.281 ( -0.293 2.060 0.622) 2.172 17.464 ( -0.876 -2.215 0.378) 2.412 17.568 ( 2.271 0.806 -0.896) 2.571 17.619 ( 1.931 0.300 2.823) 3.433 18.931 ( -10.664 0.968 1.067) 10.760 18.977 ( -10.208 -0.058 -2.078) 10.417 19.080 ( -9.439 -1.031 0.510) 9.509 19.095 ( -7.972 -1.230 -1.169) 8.150 25.021 ( -0.132 3.259 3.162) 4.543 25.071 ( 0.491 3.438 -4.095) 5.369 25.495 ( 10.059 -9.017 4.467) 14.228 25.642 ( 11.831 -13.879 -6.505) 19.363 26.892 ( 0.973 1.037 -0.831) 1.648 26.918 ( -1.282 0.761 1.022) 1.807 26.932 ( 0.039 1.476 -0.877) 1.717 27.049 ( -1.185 2.382 -2.907) 3.941 27.754 ( 1.295 13.073 1.178) 13.189 27.805 ( 0.761 13.609 -0.923) 13.661 28.186 ( 2.845 0.401 0.778) 2.977 28.217 ( 2.279 1.924 -0.725) 3.070 28.647 ( 1.250 -0.810 9.364) 9.481 28.713 ( 3.633 0.665 2.839) 4.658 28.844 ( 6.505 1.972 -4.238) 8.010 29.018 ( 6.185 -0.697 -2.921) 6.875 29.053 ( 5.753 1.302 4.300) 7.300 29.216 ( 8.554 -2.673 -9.028) 12.721 29.570 ( -6.246 -3.924 1.165) 7.467 29.625 ( -9.916 -3.335 1.508) 10.570 29.727 ( -3.318 3.223 8.691) 9.845 30.025 ( -7.016 -2.340 -6.877) 10.099 30.169 ( -4.112 0.658 0.803) 4.241 30.306 ( -1.121 -1.355 1.288) 2.180 30.574 ( -2.723 -1.884 0.129) 3.314 30.650 ( 5.232 0.530 0.695) 5.304 30.707 ( -10.509 -0.267 4.512) 11.440 31.051 ( -8.573 -6.544 -5.452) 12.085 ======================= Grid point 80 (44/54) ======================= q-point: ( 0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( 10.040 8.053 3.655) 13.380 2.388 ( -13.139 2.107 -2.235) 13.494 2.483 ( 7.763 1.758 10.424) 13.116 2.688 ( 11.349 -2.238 0.069) 11.568 2.711 ( 5.002 5.817 3.129) 8.285 2.781 ( 9.799 3.561 3.606) 11.032 2.831 ( 1.454 3.266 -0.127) 3.577 2.972 ( 5.079 11.213 -12.590) 17.608 3.128 ( -15.391 3.553 0.528) 15.805 3.237 ( -3.158 2.164 -1.642) 4.165 3.376 ( -2.266 8.764 -10.091) 13.556 3.483 ( -4.892 5.007 2.522) 7.441 3.632 ( 0.563 -3.896 0.150) 3.939 3.673 ( -0.770 2.851 0.753) 3.048 3.773 ( 1.544 -0.032 0.373) 1.589 3.891 ( 1.264 1.482 -5.960) 6.270 3.916 ( -2.612 0.316 -4.708) 5.393 4.059 ( -0.276 -2.287 -1.612) 2.812 4.116 ( 0.881 -2.403 3.501) 4.337 4.163 ( 10.867 -5.465 -2.979) 12.523 4.236 ( -0.202 -3.362 -3.802) 5.079 4.323 ( -2.868 -4.451 -1.503) 5.504 4.428 ( 4.619 1.122 3.962) 6.188 4.493 ( 6.664 -3.530 7.438) 10.592 4.622 ( -6.971 1.347 0.275) 7.105 4.651 ( 10.888 7.131 2.816) 13.316 4.708 ( -4.893 -2.028 -0.512) 5.321 4.838 ( 1.943 -1.848 4.295) 5.063 4.873 ( -0.402 -3.159 3.170) 4.493 4.957 ( 0.049 3.903 5.026) 6.364 4.996 ( 3.543 3.318 -2.737) 5.572 5.094 ( 1.008 3.620 1.456) 4.030 5.145 ( 2.211 1.366 2.694) 3.743 5.165 ( -9.488 -4.941 -2.256) 10.933 5.216 ( 2.328 4.783 4.110) 6.722 5.277 ( 1.564 0.308 2.914) 3.322 5.338 ( 14.351 1.113 -14.265) 20.266 5.410 ( -3.945 0.708 -2.621) 4.789 5.484 ( 2.741 7.943 4.455) 9.511 5.507 ( 4.090 2.464 -1.266) 4.940 5.580 ( 1.421 4.764 5.188) 7.186 5.674 ( -0.048 -0.186 4.939) 4.943 5.744 ( -1.885 5.488 0.028) 5.803 5.767 ( -0.664 1.507 -5.635) 5.871 5.946 ( 1.535 1.228 8.680) 8.900 5.984 ( 1.370 -0.883 -0.215) 1.644 6.043 ( -6.792 0.582 -1.328) 6.945 6.097 ( 5.335 -2.799 -1.917) 6.322 6.137 ( 0.845 1.518 4.093) 4.447 6.272 ( 8.218 -1.286 -9.972) 12.986 6.297 ( -3.218 -6.079 10.317) 12.400 6.361 ( 2.144 3.695 -4.227) 6.010 6.433 ( 2.941 6.321 4.000) 8.038 6.531 ( 1.948 -4.878 0.439) 5.271 6.688 ( -3.302 -9.378 -2.027) 10.147 6.711 ( 6.099 -2.848 1.192) 6.836 6.766 ( 2.220 -0.669 -3.929) 4.562 6.813 ( 1.484 -4.509 -0.430) 4.766 6.956 ( -10.101 -2.575 1.957) 10.606 7.045 ( -5.531 1.153 -3.336) 6.561 7.143 ( -6.755 1.128 0.882) 6.905 7.193 ( -6.475 -4.965 -5.223) 9.688 7.251 ( -0.716 -3.149 5.132) 6.064 7.351 ( -0.696 -5.359 1.092) 5.514 7.444 ( -2.093 -0.133 0.804) 2.246 7.524 ( -6.935 -2.121 1.330) 7.372 7.592 ( -1.514 -1.022 1.984) 2.697 7.635 ( -1.989 -4.125 -2.632) 5.282 7.732 ( 1.902 -1.694 3.627) 4.433 7.818 ( -3.653 -0.529 -0.170) 3.695 7.922 ( -2.429 -1.913 -4.785) 5.697 8.000 ( -6.105 -2.692 0.631) 6.702 8.154 ( 2.787 0.809 -0.106) 2.904 8.189 ( 0.250 2.849 -3.234) 4.317 8.296 ( 0.513 -1.045 -2.898) 3.123 8.370 ( -4.413 -2.766 -0.087) 5.209 8.468 ( -0.663 1.642 1.155) 2.114 8.526 ( -2.347 -1.529 -2.040) 3.465 8.820 ( 0.915 -0.022 2.880) 3.022 8.858 ( 0.027 -2.845 2.087) 3.529 8.935 ( 3.725 -1.205 3.548) 5.284 8.988 ( -2.607 -1.929 2.928) 4.370 9.094 ( -1.245 0.803 1.562) 2.153 9.158 ( 1.117 2.606 -6.063) 6.694 9.262 ( 1.078 1.384 2.313) 2.903 9.386 ( -3.934 -3.179 -1.391) 5.246 9.426 ( 2.683 -0.263 -0.447) 2.732 9.501 ( -0.253 -0.998 -2.010) 2.259 9.714 ( 2.441 3.306 -0.878) 4.202 9.822 ( -3.211 4.431 1.814) 5.765 9.865 ( 0.391 0.570 -1.802) 1.930 9.984 ( -2.312 0.852 -1.809) 3.056 10.107 ( 2.236 3.035 3.838) 5.380 10.182 ( -1.560 6.494 -1.736) 6.901 10.345 ( 2.662 -2.984 2.212) 4.570 10.374 ( 3.069 -1.756 4.227) 5.511 10.490 ( -5.327 -2.581 -0.219) 5.924 10.525 ( 3.432 -1.381 -2.424) 4.423 10.553 ( 1.441 -0.852 -6.583) 6.793 10.603 ( -5.582 0.449 1.343) 5.759 10.812 ( 6.041 0.766 -0.886) 6.153 10.894 ( -1.374 1.394 0.400) 1.997 11.076 ( 3.466 -0.927 2.025) 4.120 11.148 ( 5.077 -1.022 -2.311) 5.671 11.387 ( -5.385 -2.343 0.859) 5.935 11.461 ( -7.806 -1.414 1.822) 8.139 11.511 ( 0.490 1.454 0.023) 1.535 11.577 ( -6.450 -4.258 -1.713) 7.916 11.760 ( 7.742 -0.390 -1.225) 7.848 11.826 ( 7.804 2.519 -0.076) 8.200 11.886 ( -3.204 1.468 1.499) 3.830 11.936 ( -8.681 3.000 3.050) 9.678 12.176 ( -1.996 5.335 2.066) 6.059 12.388 ( -5.412 2.801 -9.190) 11.027 12.735 ( 0.133 -3.566 1.902) 4.044 12.803 ( -3.123 -0.596 -0.277) 3.191 13.026 ( 5.675 1.704 3.253) 6.759 13.210 ( -2.890 -2.302 -0.583) 3.740 13.429 ( 1.227 -0.576 -0.408) 1.416 13.454 ( -0.559 -0.223 -0.512) 0.790 13.714 ( 1.375 -1.358 5.961) 6.267 13.818 ( 2.097 -3.358 -5.054) 6.419 13.944 ( 1.453 0.621 -2.348) 2.830 14.051 ( -4.111 -1.736 -4.425) 6.285 14.460 ( 6.373 -0.506 1.365) 6.538 14.496 ( 4.402 -1.033 0.231) 4.528 14.678 ( 8.095 0.350 -0.896) 8.152 14.709 ( 3.179 -2.039 1.302) 3.994 15.024 ( 8.548 4.783 -0.907) 9.837 15.070 ( 3.427 3.637 1.741) 5.292 15.225 ( 4.371 0.200 0.048) 4.375 15.333 ( 0.295 1.057 -0.961) 1.459 15.374 ( -2.161 5.623 -0.470) 6.042 15.408 ( -6.748 3.910 -1.542) 7.950 15.660 ( 0.829 -3.954 8.453) 9.369 15.761 ( 5.811 -7.578 1.150) 9.618 15.819 ( -0.020 -2.003 -5.911) 6.241 15.899 ( -5.938 -5.706 0.822) 8.276 16.169 ( 3.688 2.497 2.984) 5.361 16.292 ( 0.385 -5.056 -0.881) 5.146 16.461 ( 0.415 4.769 -3.391) 5.866 16.495 ( -3.413 3.199 -0.853) 4.755 16.801 ( 2.011 2.268 5.452) 6.238 16.899 ( 1.828 -0.216 -3.855) 4.272 17.321 ( 3.930 1.214 0.563) 4.152 17.418 ( -3.832 -0.709 0.126) 3.899 17.607 ( 0.651 -0.139 1.108) 1.293 17.636 ( 1.157 0.237 -2.155) 2.457 18.777 ( -4.220 0.859 1.251) 4.484 18.829 ( -4.143 -0.301 -3.093) 5.179 18.938 ( -4.174 -0.764 1.296) 4.436 18.970 ( -3.988 -1.275 -1.799) 4.557 25.018 ( -0.359 3.961 3.356) 5.204 25.083 ( 0.814 3.792 -4.336) 5.818 25.648 ( 4.724 -13.393 5.653) 15.285 25.795 ( 3.718 -17.874 -7.218) 19.632 26.891 ( -1.001 1.540 1.881) 2.628 26.920 ( 0.729 1.165 -2.605) 2.945 26.941 ( 1.327 3.716 0.849) 4.036 27.014 ( -2.045 3.456 -3.016) 5.021 27.778 ( 0.857 14.222 1.591) 14.336 27.817 ( 0.517 14.913 -1.702) 15.019 28.221 ( 0.707 1.733 1.206) 2.226 28.244 ( 0.711 2.583 -0.992) 2.857 28.670 ( 0.358 -0.748 10.771) 10.803 28.789 ( 4.028 -1.345 -3.496) 5.500 28.993 ( 5.264 -0.954 1.899) 5.676 29.061 ( 0.132 -1.271 4.182) 4.373 29.176 ( 4.821 1.702 -0.365) 5.126 29.305 ( -0.128 0.796 -9.629) 9.662 29.439 ( -5.820 -3.824 1.559) 7.136 29.507 ( -1.849 -2.016 -2.927) 4.007 29.768 ( 7.247 0.028 8.399) 11.094 29.947 ( 0.467 -0.393 -4.223) 4.267 30.050 ( -7.438 -2.351 3.342) 8.487 30.188 ( -9.268 -2.484 -3.030) 10.062 30.502 ( -1.534 0.323 4.051) 4.343 30.595 ( -2.160 0.187 -2.924) 3.640 30.751 ( 3.790 -1.354 4.620) 6.127 30.937 ( -3.754 -4.366 -5.984) 8.304 ======================= Grid point 81 (45/54) ======================= q-point: (-0.43 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -6.345 5.589 -1.281) 8.552 2.232 ( -2.206 5.427 8.737) 10.519 2.580 ( 0.777 -1.341 6.012) 6.208 2.669 ( -17.383 6.738 9.101) 20.746 2.710 ( 1.702 3.217 -1.574) 3.966 2.736 ( -3.445 0.253 -3.996) 5.282 2.858 ( -1.841 6.356 -4.002) 7.733 3.065 ( -10.444 5.812 -13.029) 17.681 3.141 ( 12.213 0.126 6.764) 13.962 3.188 ( 7.351 6.827 -3.594) 10.657 3.321 ( 0.298 6.275 -4.554) 7.759 3.494 ( 5.769 4.460 -2.899) 7.847 3.656 ( 4.691 -1.097 2.328) 5.351 3.690 ( 0.535 0.611 -1.979) 2.139 3.765 ( -1.865 1.143 -0.191) 2.196 3.882 ( -6.614 0.276 -3.930) 7.698 3.887 ( -1.740 0.850 3.552) 4.046 3.968 ( -0.796 4.953 -1.391) 5.206 4.151 ( -0.668 -9.011 -2.730) 9.439 4.186 ( 0.118 -2.356 0.014) 2.359 4.266 ( -3.394 -5.152 -5.206) 8.072 4.324 ( 1.073 0.474 -3.755) 3.934 4.491 ( -0.887 -0.868 -1.066) 1.636 4.537 ( -7.774 0.238 2.995) 8.334 4.607 ( -0.411 0.284 3.415) 3.451 4.642 ( 8.513 -2.881 2.175) 9.247 4.719 ( -5.193 -6.182 -0.192) 8.076 4.863 ( -8.717 6.331 10.201) 14.837 4.889 ( 8.420 0.530 1.535) 8.575 4.914 ( -4.964 1.827 -0.474) 5.311 4.987 ( 1.735 -2.595 -0.738) 3.208 5.033 ( -7.575 4.189 5.436) 10.221 5.120 ( -3.776 -4.558 1.281) 6.056 5.147 ( 1.837 1.910 2.637) 3.738 5.195 ( -3.344 5.261 -1.865) 6.507 5.269 ( 3.428 3.635 6.481) 8.183 5.309 ( 2.532 3.185 -0.954) 4.179 5.417 ( -8.884 6.939 1.186) 11.335 5.439 ( -2.440 0.359 -2.092) 3.234 5.514 ( -3.905 6.177 -0.367) 7.317 5.575 ( -0.802 3.791 4.874) 6.227 5.717 ( -3.675 -2.005 0.971) 4.298 5.774 ( -5.526 7.756 -8.818) 12.978 5.822 ( -0.111 -4.648 -0.666) 4.697 5.853 ( 2.963 -3.430 3.667) 5.830 5.937 ( 6.509 -2.260 5.448) 8.784 6.037 ( 1.798 2.474 6.670) 7.338 6.107 ( -11.195 3.341 2.896) 12.037 6.168 ( -0.486 -1.416 -7.949) 8.089 6.239 ( 4.295 -1.070 5.289) 6.897 6.366 ( -7.880 -7.802 -10.232) 15.088 6.404 ( -0.436 3.700 1.319) 3.952 6.491 ( 2.698 -3.260 1.297) 4.426 6.569 ( 0.830 1.245 -4.472) 4.716 6.679 ( 8.096 3.702 -2.734) 9.313 6.717 ( -2.613 -7.568 -3.791) 8.858 6.786 ( -1.669 -3.683 -0.218) 4.049 6.818 ( -3.185 4.198 -4.922) 7.211 6.959 ( 9.437 -3.976 4.428) 11.156 7.019 ( 2.999 -2.725 -1.051) 4.186 7.083 ( 1.179 -4.544 1.966) 5.089 7.170 ( 9.163 1.402 -0.222) 9.273 7.293 ( -3.362 -3.533 0.555) 4.908 7.347 ( 2.598 -2.898 2.261) 4.501 7.406 ( 0.515 1.000 2.057) 2.345 7.520 ( 9.705 -2.522 4.244) 10.889 7.616 ( 2.279 -4.561 -1.484) 5.310 7.666 ( 4.557 -4.451 -2.772) 6.947 7.755 ( 0.531 -1.299 0.294) 1.434 7.840 ( 2.195 -1.205 -1.081) 2.728 7.851 ( -2.148 -5.064 1.598) 5.728 7.977 ( 6.288 -2.472 1.561) 6.935 8.155 ( -1.416 3.697 -3.353) 5.188 8.207 ( 0.165 1.697 -3.272) 3.690 8.298 ( -3.361 -2.110 -1.801) 4.358 8.354 ( 4.705 -0.814 1.972) 5.166 8.498 ( 3.704 0.409 0.847) 3.821 8.506 ( 0.578 -1.324 -2.846) 3.191 8.847 ( 1.153 -1.178 1.261) 2.075 8.870 ( 1.716 -1.545 0.128) 2.312 8.913 ( -2.387 -0.436 3.426) 4.199 9.015 ( 1.873 0.643 4.096) 4.550 9.088 ( 0.429 1.396 -2.905) 3.251 9.176 ( 0.304 1.351 -4.984) 5.173 9.293 ( 0.367 -1.277 3.038) 3.316 9.344 ( 1.064 -1.207 -1.245) 2.035 9.453 ( -0.156 -0.409 0.626) 0.764 9.473 ( -1.419 -0.682 -2.714) 3.137 9.695 ( -5.077 -0.171 1.142) 5.206 9.797 ( 2.292 1.258 -0.691) 2.704 9.901 ( 1.220 2.518 2.898) 4.028 9.953 ( 0.644 2.416 -2.360) 3.438 10.124 ( -1.826 5.481 0.998) 5.863 10.151 ( 0.283 4.178 3.147) 5.238 10.345 ( -3.881 -2.051 5.997) 7.432 10.389 ( -3.659 1.151 -2.284) 4.465 10.452 ( 0.934 -2.134 1.204) 2.622 10.504 ( -0.843 -0.558 -2.783) 2.961 10.610 ( 6.008 -3.613 -5.480) 8.899 10.623 ( 3.467 -1.779 -2.135) 4.443 10.811 ( -6.543 0.735 -0.805) 6.633 10.906 ( 2.892 1.848 -0.602) 3.485 11.061 ( -5.015 0.339 3.757) 6.276 11.148 ( -3.971 1.658 -2.494) 4.973 11.318 ( 1.067 -2.594 6.570) 7.144 11.451 ( 0.703 -6.943 1.637) 7.168 11.537 ( 8.361 0.302 -1.355) 8.475 11.598 ( 4.951 -0.989 -2.664) 5.708 11.731 ( -9.312 -0.846 2.208) 9.608 11.842 ( -1.692 0.418 -2.003) 2.655 11.910 ( 4.164 4.096 -1.569) 6.048 11.944 ( 5.035 3.073 2.227) 6.306 12.250 ( 9.096 6.025 3.544) 11.472 12.308 ( -1.207 4.811 -9.384) 10.614 12.758 ( -1.414 -3.818 -0.589) 4.114 12.783 ( 4.054 -3.171 2.213) 5.602 13.070 ( -7.885 1.042 -1.774) 8.149 13.163 ( 6.609 0.500 4.360) 7.933 13.430 ( -1.692 -0.863 -0.404) 1.942 13.465 ( -0.432 -0.675 -1.784) 1.956 13.718 ( 1.358 -1.562 4.789) 5.217 13.866 ( 0.837 -4.640 -8.761) 9.949 13.931 ( -5.477 -0.578 -0.614) 5.541 13.998 ( 1.590 -0.372 0.032) 1.634 14.470 ( -6.583 -0.288 0.599) 6.616 14.485 ( -3.976 -0.300 1.339) 4.206 14.660 ( -7.582 -0.105 0.658) 7.611 14.746 ( -2.523 -3.339 -2.348) 4.798 14.979 ( -8.183 3.908 2.887) 9.517 15.148 ( -2.323 7.364 -5.076) 9.241 15.195 ( -4.943 0.927 2.878) 5.794 15.327 ( 1.374 0.637 0.216) 1.530 15.341 ( 1.664 2.565 2.486) 3.941 15.371 ( -1.288 4.301 1.694) 4.799 15.671 ( -4.375 -5.196 7.167) 9.874 15.789 ( -1.416 -3.011 0.111) 3.329 15.816 ( 1.599 -0.377 -6.720) 6.918 15.896 ( 5.775 -8.446 0.910) 10.272 16.220 ( -1.942 -0.658 -0.415) 2.093 16.290 ( 2.240 -2.459 -2.391) 4.096 16.404 ( -4.862 4.332 1.847) 6.769 16.482 ( 1.309 3.525 0.739) 3.832 16.813 ( -0.921 1.686 4.633) 5.015 16.898 ( -1.570 0.335 -4.272) 4.564 17.337 ( -3.513 0.684 -0.931) 3.699 17.407 ( 3.921 -0.820 1.157) 4.170 17.587 ( -1.406 1.292 0.737) 2.047 17.683 ( 2.498 -0.985 -4.146) 4.940 18.783 ( 4.668 0.753 1.427) 4.940 18.825 ( 3.889 0.008 -3.645) 5.330 18.939 ( 4.154 -0.841 1.386) 4.459 18.964 ( 3.659 -1.395 -1.404) 4.160 25.010 ( -0.572 4.309 3.170) 5.380 25.094 ( 0.395 3.326 -4.353) 5.493 25.666 ( -3.362 -14.204 5.875) 15.734 25.778 ( -5.019 -17.031 -7.490) 19.270 26.876 ( -0.538 2.492 1.770) 3.103 26.927 ( 0.289 1.980 -1.083) 2.275 26.956 ( -0.718 2.698 -1.278) 3.071 26.996 ( 1.100 2.658 -1.341) 3.174 27.783 ( -0.377 13.913 1.378) 13.986 27.820 ( -0.240 15.492 -2.262) 15.658 28.221 ( -0.639 1.593 1.393) 2.210 28.245 ( -0.751 2.673 -1.281) 3.058 28.663 ( -1.367 -0.365 8.526) 8.643 28.851 ( 1.845 -3.646 -4.666) 6.203 28.915 ( -6.950 -1.941 6.389) 9.638 29.082 ( -8.979 3.815 3.301) 10.299 29.151 ( 0.278 -2.659 -1.286) 2.966 29.323 ( -3.804 1.376 -7.791) 8.779 29.412 ( 5.245 -0.069 4.245) 6.748 29.523 ( 6.007 -4.042 -4.308) 8.425 29.850 ( -2.875 0.355 3.318) 4.404 29.927 ( -2.277 -0.145 -6.408) 6.802 30.081 ( 11.452 -3.099 7.260) 13.909 30.127 ( 4.827 -3.260 -3.224) 6.657 30.517 ( 3.091 1.077 4.677) 5.709 30.579 ( 0.288 0.565 -3.614) 3.669 30.808 ( 2.015 -2.858 6.048) 6.986 30.866 ( -3.377 -3.303 -5.942) 7.590 ======================= Grid point 82 (46/54) ======================= q-point: (-0.29 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.975 ( -19.166 5.595 17.765) 26.725 2.076 ( -8.408 4.279 1.335) 9.529 2.236 ( -20.218 4.901 3.995) 21.184 2.597 ( 0.801 3.871 -1.425) 4.202 2.705 ( -4.671 11.845 -10.781) 16.684 2.786 ( 3.676 -3.712 2.980) 6.014 2.840 ( -1.951 7.882 -4.985) 9.528 2.974 ( 8.841 5.005 -0.493) 10.172 3.151 ( -12.398 -3.429 -1.318) 12.931 3.245 ( -7.183 -0.097 0.803) 7.228 3.343 ( 3.835 2.419 1.112) 4.669 3.525 ( -3.713 -5.963 -5.272) 8.783 3.632 ( -1.345 0.282 1.789) 2.256 3.649 ( -5.748 -0.206 0.695) 5.794 3.728 ( -3.906 3.272 1.387) 5.281 3.884 ( 1.169 5.034 -0.751) 5.223 3.901 ( 0.164 1.930 -1.539) 2.474 4.045 ( 2.756 0.612 2.194) 3.575 4.103 ( -6.412 8.479 4.954) 11.728 4.150 ( 0.225 5.198 -1.620) 5.449 4.208 ( 1.545 -1.798 -5.342) 5.844 4.254 ( -2.069 0.623 0.116) 2.163 4.343 ( -7.340 0.895 4.815) 8.824 4.441 ( 0.800 -0.529 -1.313) 1.626 4.537 ( -1.578 -2.614 4.063) 5.083 4.637 ( -6.069 2.599 4.328) 7.894 4.725 ( -6.928 6.241 -1.518) 9.447 4.804 ( 1.636 -3.008 -1.863) 3.898 4.836 ( -3.657 0.466 -1.156) 3.864 4.901 ( 1.979 1.418 -1.764) 3.007 4.952 ( -5.527 -4.020 4.330) 8.090 5.033 ( -0.243 -4.613 -1.160) 4.763 5.089 ( -0.839 -0.150 -4.739) 4.815 5.124 ( -1.245 0.761 -1.635) 2.192 5.190 ( 0.571 4.150 -1.574) 4.475 5.290 ( -4.472 2.177 1.087) 5.091 5.314 ( -0.574 2.011 -1.500) 2.573 5.367 ( -4.976 0.383 1.077) 5.105 5.437 ( 8.969 1.267 5.072) 10.381 5.451 ( -5.454 -0.062 7.080) 8.937 5.529 ( 1.002 -0.190 -0.831) 1.315 5.557 ( -9.488 -1.463 -3.708) 10.291 5.674 ( -0.355 5.190 0.502) 5.226 5.751 ( -4.005 -0.689 4.765) 6.262 5.886 ( -7.358 2.550 6.289) 10.010 5.934 ( -6.354 2.655 -2.606) 7.363 5.965 ( 1.218 -0.671 -3.098) 3.396 6.020 ( -6.063 -2.183 -7.227) 9.683 6.182 ( 4.725 -2.175 6.297) 8.167 6.204 ( -8.648 -2.670 -2.710) 9.448 6.349 ( 8.294 -1.482 -0.250) 8.429 6.391 ( -0.255 0.308 1.065) 1.138 6.417 ( 2.783 4.147 1.942) 5.358 6.654 ( -4.230 -0.477 -0.243) 4.263 6.716 ( 3.372 -3.112 -7.127) 8.477 6.741 ( 4.380 -2.491 -4.669) 6.870 6.829 ( 4.335 -4.358 -3.857) 7.257 6.901 ( 11.092 -4.376 1.102) 11.975 7.088 ( 2.702 -0.036 1.780) 3.236 7.119 ( 2.211 -4.507 -0.501) 5.045 7.205 ( 8.112 -1.863 1.023) 8.386 7.255 ( 1.809 -2.133 3.377) 4.384 7.302 ( 4.478 -0.611 -2.140) 5.000 7.406 ( 7.543 -2.596 0.127) 7.979 7.599 ( 7.087 3.548 -1.520) 8.070 7.628 ( 2.782 -2.366 2.355) 4.345 7.661 ( -1.490 -5.917 0.007) 6.102 7.732 ( 2.075 -1.098 -2.552) 3.468 7.772 ( 5.025 -1.083 2.413) 5.678 7.810 ( 2.011 -4.741 -0.470) 5.171 8.032 ( 8.199 -2.461 4.196) 9.533 8.076 ( 1.327 3.546 -0.954) 3.905 8.157 ( 3.427 -0.401 -1.252) 3.670 8.189 ( -1.210 0.384 -1.055) 1.651 8.264 ( 2.992 0.411 -1.511) 3.378 8.440 ( 3.194 1.001 7.214) 7.953 8.533 ( 3.360 0.270 -1.118) 3.551 8.634 ( 8.453 -0.894 -1.064) 8.567 8.857 ( -1.123 -2.463 -2.125) 3.442 8.877 ( -0.174 -0.015 -2.208) 2.215 8.918 ( 1.301 -1.955 -1.303) 2.686 9.029 ( -1.243 0.867 2.078) 2.572 9.083 ( -1.219 -2.462 -2.905) 3.998 9.166 ( 0.836 -0.984 2.343) 2.676 9.273 ( -0.505 -0.848 -1.356) 1.678 9.352 ( -2.936 -1.463 0.522) 3.321 9.438 ( 0.627 1.901 -0.238) 2.015 9.515 ( 5.103 -2.376 0.443) 5.647 9.621 ( -1.928 1.900 1.528) 3.109 9.852 ( 2.317 -1.402 -0.244) 2.719 9.905 ( 0.018 0.422 1.657) 1.710 10.004 ( 3.809 3.147 1.000) 5.041 10.084 ( -2.551 4.595 -0.885) 5.330 10.171 ( 2.494 7.163 0.516) 7.603 10.247 ( -5.057 2.056 2.469) 5.992 10.324 ( -2.304 1.997 2.989) 4.270 10.413 ( -3.171 0.351 -1.732) 3.631 10.511 ( -3.333 -3.391 -1.860) 5.106 10.635 ( -2.487 0.274 2.895) 3.826 10.666 ( -1.373 -1.654 3.434) 4.052 10.794 ( 7.928 -3.890 -6.666) 11.064 10.941 ( 2.354 -0.247 -1.343) 2.721 10.972 ( -1.888 2.008 -1.422) 3.101 11.128 ( 1.906 2.987 -1.381) 3.803 11.365 ( 0.837 -0.464 5.862) 5.939 11.462 ( 0.041 -2.380 0.685) 2.477 11.595 ( -2.116 -1.693 -0.157) 2.714 11.646 ( 3.481 -2.646 0.727) 4.433 11.763 ( 9.863 -1.267 1.396) 10.041 11.873 ( 4.391 0.293 -5.626) 7.143 11.976 ( 5.043 3.756 2.258) 6.681 12.048 ( 4.467 -1.244 4.050) 6.156 12.311 ( 1.835 2.701 -7.422) 8.109 12.463 ( 9.673 4.437 -0.931) 10.683 12.741 ( 0.276 -1.986 1.145) 2.309 12.859 ( 1.254 3.601 -0.492) 3.845 12.984 ( 1.774 -1.734 1.050) 2.694 13.203 ( -3.777 -4.768 -1.810) 6.346 13.366 ( -6.632 1.003 -3.543) 7.586 13.484 ( 5.493 0.938 3.060) 6.357 13.681 ( -10.041 -0.559 -1.215) 10.130 13.763 ( -4.603 0.865 0.484) 4.709 13.944 ( 1.239 -4.340 -2.808) 5.315 14.010 ( 0.955 -4.642 3.501) 5.892 14.290 ( -10.276 -1.258 0.118) 10.353 14.330 ( -10.602 -0.488 -0.411) 10.621 14.460 ( -11.177 1.109 2.539) 11.515 14.593 ( -11.091 -0.884 -2.309) 11.363 14.797 ( -12.424 4.738 3.667) 13.793 14.954 ( -13.556 11.931 -6.904) 19.334 15.098 ( -4.603 -0.205 -1.049) 4.726 15.285 ( -4.318 -0.250 0.558) 4.361 15.376 ( 0.457 0.165 7.592) 7.608 15.432 ( 4.261 1.768 2.190) 5.107 15.510 ( -8.392 -8.265 3.757) 12.363 15.741 ( -4.267 -0.217 0.492) 4.301 15.874 ( 2.528 -1.736 -4.993) 5.860 15.995 ( 1.896 -9.249 0.468) 9.453 16.177 ( -0.417 3.941 -2.741) 4.819 16.269 ( -3.102 3.243 -0.202) 4.492 16.388 ( 2.918 -1.856 1.339) 3.709 16.525 ( 3.140 3.553 2.782) 5.498 16.775 ( -2.940 0.133 2.871) 4.112 16.849 ( -2.896 0.245 -4.769) 5.585 17.305 ( 0.475 1.569 -1.515) 2.232 17.453 ( 0.837 -2.205 1.165) 2.630 17.561 ( -1.611 2.093 -0.244) 2.653 17.704 ( -0.621 -1.866 -4.902) 5.282 18.939 ( 10.309 0.709 1.394) 10.427 18.968 ( 10.267 0.517 -2.392) 10.554 19.075 ( 8.825 -1.062 0.652) 8.913 19.093 ( 8.637 -1.497 -0.554) 8.783 25.004 ( 0.104 4.034 2.735) 4.874 25.094 ( -0.236 2.331 -4.275) 4.875 25.530 ( -10.189 -10.425 5.003) 15.412 25.606 ( -11.809 -12.387 -6.952) 18.473 26.870 ( -0.189 1.624 0.959) 1.895 26.924 ( -0.382 2.226 -0.026) 2.259 26.955 ( 0.963 1.231 -2.674) 3.097 27.019 ( 0.736 0.529 0.554) 1.062 27.768 ( -1.041 12.611 0.413) 12.661 27.806 ( -0.941 14.580 -1.716) 14.711 28.198 ( -1.921 1.003 1.140) 2.448 28.207 ( -3.036 1.152 -1.519) 3.585 28.633 ( -1.681 0.100 6.498) 6.713 28.771 ( -6.063 -1.004 4.846) 7.827 28.877 ( -0.328 -2.977 -8.048) 8.587 28.928 ( -5.885 4.739 4.127) 8.609 29.045 ( -8.709 -1.966 3.387) 9.549 29.175 ( -8.876 0.128 -4.777) 10.081 29.584 ( 8.999 -2.727 -0.506) 9.417 29.677 ( 7.536 -4.532 -3.281) 9.386 29.860 ( 5.573 2.874 7.885) 10.074 29.928 ( 3.864 0.384 -9.919) 10.652 30.198 ( 1.514 -0.960 -1.731) 2.492 30.298 ( 6.399 -3.596 2.716) 7.827 30.591 ( 0.609 -0.322 -1.560) 1.706 30.628 ( 3.856 2.533 2.383) 5.192 30.797 ( 2.576 -4.694 -3.497) 6.395 30.903 ( 6.932 -3.614 8.629) 11.644 ======================= Grid point 83 (47/54) ======================= q-point: (-0.14 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -12.631 12.083 23.316) 29.141 1.721 ( -17.741 6.850 27.362) 33.322 2.124 ( 1.703 -4.091 -20.104) 20.587 2.471 ( -12.301 9.585 -19.604) 25.050 2.629 ( -6.391 18.266 9.930) 21.751 2.802 ( -0.905 -2.730 2.362) 3.722 2.825 ( -6.584 9.217 0.642) 11.345 2.910 ( -5.623 -4.567 2.558) 7.682 3.058 ( -3.222 -0.379 -0.942) 3.378 3.142 ( 0.923 -1.279 7.875) 8.032 3.361 ( -5.726 1.544 -3.865) 7.079 3.392 ( -3.426 -1.734 4.712) 6.078 3.517 ( -4.327 3.204 -2.124) 5.788 3.594 ( 8.196 2.939 4.516) 9.808 3.777 ( 2.694 4.028 1.776) 5.161 3.838 ( -3.553 2.829 -2.709) 5.288 3.866 ( -3.371 2.529 0.753) 4.281 3.985 ( -1.823 4.023 6.059) 7.498 4.041 ( -6.837 4.350 -1.973) 8.340 4.105 ( -1.410 -2.530 0.734) 2.988 4.182 ( 2.305 2.923 -3.651) 5.214 4.339 ( -8.864 -0.048 -4.816) 10.088 4.395 ( -2.814 3.705 -5.102) 6.905 4.431 ( 6.033 4.753 2.710) 8.144 4.456 ( 1.049 3.153 -0.960) 3.459 4.576 ( -0.446 -0.555 0.224) 0.746 4.687 ( -5.576 1.329 -2.089) 6.101 4.738 ( 2.095 2.021 -3.798) 4.785 4.789 ( -3.102 0.826 -1.836) 3.698 4.810 ( -4.712 4.570 -2.163) 6.911 4.915 ( -4.580 2.081 0.681) 5.077 4.985 ( 4.463 -8.938 -3.531) 10.596 5.032 ( -2.801 -1.492 -4.566) 5.560 5.115 ( -6.389 -6.248 4.374) 9.949 5.170 ( -2.340 -2.814 1.395) 3.917 5.202 ( -4.569 -2.471 2.136) 5.616 5.235 ( -1.728 -3.532 -1.932) 4.381 5.358 ( 1.026 1.580 -0.695) 2.008 5.390 ( -2.068 -0.415 -1.887) 2.830 5.402 ( -0.897 -2.064 6.066) 6.470 5.565 ( 1.986 -0.355 2.058) 2.882 5.582 ( 2.336 0.202 -1.175) 2.623 5.656 ( -2.111 1.518 6.643) 7.133 5.732 ( -0.213 2.178 -1.782) 2.822 5.803 ( -1.987 1.556 0.178) 2.530 5.886 ( -3.635 -0.753 -8.684) 9.444 5.943 ( 3.673 3.705 -2.832) 5.937 6.039 ( 0.864 -0.876 2.360) 2.661 6.072 ( 5.484 6.242 -3.684) 9.089 6.222 ( -1.292 2.125 3.564) 4.345 6.386 ( 0.512 3.095 4.147) 5.200 6.461 ( 0.105 1.252 0.472) 1.342 6.577 ( 9.882 1.914 4.950) 11.217 6.676 ( 5.600 -4.235 -0.246) 7.026 6.780 ( 0.400 -10.647 -6.724) 12.599 6.795 ( 4.377 -1.617 -5.137) 6.940 6.916 ( 4.830 -2.367 0.794) 5.437 7.051 ( 4.651 0.425 1.666) 4.959 7.098 ( -1.223 -4.284 2.232) 4.983 7.187 ( 3.459 -9.049 -5.110) 10.953 7.282 ( -0.566 0.372 2.602) 2.689 7.321 ( 2.988 1.602 -2.583) 4.262 7.353 ( 0.374 -2.927 -0.884) 3.080 7.473 ( -0.004 -5.257 0.754) 5.311 7.576 ( -5.263 -2.619 -6.869) 9.041 7.623 ( 3.142 2.120 2.053) 4.311 7.711 ( -3.426 -4.981 -0.537) 6.070 7.763 ( 0.996 -2.050 -2.643) 3.490 7.782 ( -0.425 5.287 2.345) 5.799 7.946 ( 10.194 2.041 3.859) 11.089 8.062 ( -1.613 -2.328 1.383) 3.152 8.129 ( 3.045 1.189 -0.995) 3.417 8.176 ( 0.412 0.986 0.226) 1.092 8.240 ( 2.740 0.418 -0.313) 2.789 8.400 ( 5.605 0.072 2.105) 5.987 8.478 ( 1.212 1.612 7.524) 7.789 8.661 ( 8.021 -0.939 -0.238) 8.079 8.746 ( -0.425 0.536 -1.766) 1.894 8.789 ( -1.398 -2.723 -2.746) 4.112 8.826 ( -4.697 -4.411 -2.782) 7.019 8.946 ( 2.473 0.220 -2.868) 3.793 9.023 ( 0.902 3.361 -0.934) 3.603 9.089 ( 3.293 -4.324 4.487) 7.048 9.206 ( -0.170 1.400 3.416) 3.695 9.305 ( 3.422 -5.386 0.020) 6.381 9.313 ( 1.768 -4.473 0.877) 4.889 9.448 ( -0.097 3.639 1.624) 3.986 9.580 ( -2.904 -2.212 -1.909) 4.120 9.627 ( 5.178 -1.646 1.140) 5.552 9.841 ( -3.882 -3.455 -2.748) 5.879 9.916 ( 1.264 -0.070 2.918) 3.180 10.041 ( 0.083 2.755 1.783) 3.283 10.100 ( 3.586 7.889 -2.916) 9.144 10.179 ( -1.403 1.406 1.281) 2.364 10.228 ( 2.745 6.670 -1.918) 7.463 10.272 ( -5.058 2.399 -1.385) 5.767 10.354 ( 0.628 0.112 6.150) 6.183 10.450 ( -1.331 0.512 -0.574) 1.537 10.582 ( -3.642 4.696 -0.430) 5.959 10.623 ( -2.792 0.145 1.891) 3.375 10.888 ( 0.032 -3.858 -1.892) 4.298 10.978 ( 0.174 1.001 -2.266) 2.483 11.071 ( 11.155 -0.666 2.783) 11.516 11.223 ( 7.265 -1.445 1.032) 7.478 11.377 ( 2.695 0.742 0.088) 2.797 11.447 ( -0.006 0.377 -3.648) 3.667 11.670 ( 7.234 -2.488 -0.102) 7.650 11.729 ( 4.206 -2.859 1.387) 5.271 11.909 ( 3.247 0.637 2.576) 4.193 11.960 ( 4.537 0.834 -4.171) 6.219 12.093 ( 4.208 1.738 3.285) 5.614 12.145 ( 7.390 -6.462 3.115) 10.299 12.345 ( 1.809 -0.249 -3.517) 3.963 12.546 ( -1.597 -2.732 -8.958) 9.501 12.797 ( 4.635 6.392 5.999) 9.916 12.882 ( 3.345 1.043 3.393) 4.877 13.032 ( -4.273 -0.739 -5.513) 7.014 13.131 ( 2.960 -4.719 1.018) 5.662 13.204 ( -8.726 1.194 -2.777) 9.234 13.449 ( -6.539 -2.590 -1.774) 7.253 13.555 ( -8.992 2.707 -0.103) 9.391 13.639 ( -5.042 3.800 6.264) 8.894 13.886 ( -4.907 -5.082 -3.715) 7.982 13.989 ( -7.200 -4.759 -0.467) 8.643 14.099 ( -6.577 -1.005 3.793) 7.658 14.210 ( -1.738 -1.427 1.108) 2.507 14.268 ( -8.128 0.510 1.015) 8.207 14.396 ( -5.826 7.135 -1.133) 9.281 14.513 ( -11.932 6.827 3.817) 14.267 14.683 ( -12.900 8.731 -8.197) 17.602 15.083 ( 3.116 -0.575 -1.716) 3.604 15.199 ( -3.796 -1.962 2.123) 4.772 15.327 ( -5.076 -1.630 4.595) 7.038 15.374 ( -3.049 -1.968 6.524) 7.466 15.540 ( 3.587 -1.023 0.199) 3.735 15.653 ( -3.751 2.047 -0.273) 4.282 15.874 ( -1.654 -4.096 -3.583) 5.688 15.939 ( -5.433 -7.722 -2.386) 9.739 16.207 ( 2.616 3.525 -1.292) 4.576 16.255 ( 0.344 5.153 1.493) 5.376 16.470 ( 5.287 -4.244 0.634) 6.809 16.596 ( 3.470 1.833 3.037) 4.963 16.707 ( -3.948 -0.520 0.875) 4.077 16.791 ( -2.812 0.239 -4.237) 5.091 17.347 ( 3.516 1.592 -0.847) 3.952 17.454 ( -0.552 -1.172 0.987) 1.628 17.522 ( -2.035 1.193 -0.018) 2.359 17.645 ( -5.052 -2.537 -5.034) 7.569 19.134 ( 8.149 0.898 2.238) 8.498 19.176 ( 9.336 0.763 -2.121) 9.605 19.244 ( 7.561 -1.807 0.371) 7.782 19.260 ( 7.612 -1.406 -0.136) 7.742 25.024 ( 1.899 3.014 2.039) 4.104 25.087 ( 0.046 1.476 -3.526) 3.822 25.311 ( -11.155 -4.593 2.762) 12.376 25.350 ( -12.686 -5.280 -3.631) 14.212 26.876 ( 0.886 0.220 0.142) 0.924 26.917 ( -0.466 0.581 -0.206) 0.773 26.982 ( 1.742 0.550 -1.970) 2.687 27.019 ( -0.732 -0.835 0.776) 1.355 27.751 ( -0.510 11.597 0.035) 11.608 27.784 ( -1.234 13.189 -1.203) 13.301 28.135 ( -3.228 0.280 -0.072) 3.241 28.154 ( -2.689 -0.625 -0.710) 2.851 28.611 ( -0.854 0.459 6.173) 6.249 28.684 ( -3.081 1.027 2.695) 4.221 28.828 ( -2.628 -1.676 -0.590) 3.173 28.870 ( -5.060 3.786 4.880) 7.985 28.903 ( -1.668 -0.857 -4.619) 4.985 29.022 ( -5.873 1.170 -4.544) 7.518 29.695 ( 3.109 -1.768 -1.546) 3.897 29.786 ( 3.475 -4.249 -4.688) 7.218 30.043 ( 9.049 -0.583 -0.162) 9.069 30.064 ( 10.493 -0.330 1.415) 10.593 30.219 ( 1.854 0.946 -0.060) 2.082 30.318 ( -2.606 -1.097 -2.249) 3.613 30.513 ( -9.340 -0.896 -0.935) 9.429 30.582 ( -3.190 -3.146 -2.283) 5.029 31.046 ( 13.940 -4.282 5.301) 15.516 31.078 ( 10.604 -3.324 6.707) 12.980 ======================= Grid point 84 (48/54) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.770 ( 1.105 13.034 16.569) 21.110 1.964 ( 6.393 7.654 8.655) 13.204 2.072 ( 5.627 -1.026 2.476) 6.232 2.242 ( -4.290 -1.955 -2.607) 5.387 2.640 ( -1.621 -0.062 -4.774) 5.042 2.690 ( -6.823 -2.736 -5.993) 9.484 2.903 ( -2.104 1.840 3.622) 4.575 2.932 ( 2.682 -2.445 1.636) 3.981 3.036 ( 2.838 0.592 -2.840) 4.058 3.157 ( -2.657 -7.966 -9.662) 12.801 3.462 ( 8.710 18.883 3.475) 21.083 3.484 ( -6.489 9.013 -0.672) 11.126 3.551 ( 6.685 5.097 11.522) 14.263 3.738 ( -2.996 1.193 6.295) 7.073 3.856 ( 2.198 -1.169 0.704) 2.587 3.880 ( -4.426 -0.312 -5.039) 6.714 3.994 ( 6.296 6.608 6.695) 11.320 4.045 ( 2.549 -0.055 2.565) 3.616 4.085 ( -2.051 0.417 -0.726) 2.215 4.106 ( 5.940 -1.772 2.202) 6.578 4.205 ( -3.423 10.613 2.459) 11.419 4.220 ( -8.678 9.807 -7.581) 15.131 4.352 ( -8.052 -0.300 -2.010) 8.304 4.462 ( 0.543 -7.561 8.901) 11.691 4.491 ( -0.735 0.704 0.136) 1.026 4.540 ( 0.781 -1.460 -0.446) 1.715 4.669 ( -1.008 2.073 2.856) 3.670 4.749 ( 2.744 5.276 -5.294) 7.962 4.759 ( -0.896 -2.990 5.516) 6.338 4.862 ( 1.930 -1.197 -2.861) 3.652 4.923 ( 2.767 -3.422 4.032) 5.968 4.943 ( 3.887 -3.918 0.488) 5.541 5.017 ( -3.316 1.450 4.315) 5.631 5.042 ( 1.064 3.574 -3.300) 4.979 5.077 ( 1.611 -2.600 -2.325) 3.842 5.123 ( 1.411 1.567 -5.773) 6.146 5.151 ( 6.005 -1.225 -2.376) 6.573 5.194 ( -6.729 -1.955 -5.929) 9.179 5.313 ( -0.484 -2.658 -0.414) 2.733 5.402 ( -4.796 -6.987 -6.473) 10.664 5.544 ( -1.997 -0.764 0.119) 2.142 5.572 ( -4.061 -3.769 -1.403) 5.715 5.621 ( 1.807 -1.221 -1.738) 2.788 5.641 ( 3.080 -2.800 -3.046) 5.158 5.847 ( -1.517 6.931 1.786) 7.316 5.953 ( -0.002 0.493 -7.033) 7.051 6.014 ( 1.137 2.383 -0.241) 2.652 6.070 ( 1.362 -0.562 -5.389) 5.586 6.213 ( -1.072 2.908 6.150) 6.887 6.277 ( -0.667 -2.016 -1.952) 2.884 6.470 ( 0.998 1.589 2.540) 3.157 6.559 ( 0.990 -8.514 -5.525) 10.198 6.598 ( -1.748 6.711 3.471) 7.755 6.655 ( 5.517 4.275 -1.809) 7.210 6.727 ( -0.599 -5.451 7.515) 9.303 6.821 ( 9.540 -10.727 0.462) 14.363 6.899 ( -8.628 2.229 -2.016) 9.137 6.922 ( -5.082 1.805 -3.949) 6.684 7.173 ( -4.570 5.636 5.309) 8.991 7.192 ( 6.582 1.462 4.777) 8.264 7.269 ( -1.119 -3.169 -0.196) 3.366 7.285 ( 4.410 -7.699 2.788) 9.300 7.319 ( -1.276 3.520 -1.500) 4.034 7.426 ( -0.726 -6.322 1.147) 6.466 7.466 ( 0.899 0.774 -7.485) 7.578 7.523 ( 0.028 -2.943 -5.532) 6.266 7.672 ( -1.943 2.011 -1.299) 3.084 7.705 ( -1.690 -1.515 -4.734) 5.250 7.942 ( 2.563 3.769 6.644) 8.057 7.996 ( -0.633 -1.217 4.325) 4.538 8.081 ( -3.420 3.087 -0.200) 4.612 8.144 ( 1.198 -1.960 -3.684) 4.341 8.263 ( 0.925 0.186 1.238) 1.556 8.268 ( 0.576 -0.844 1.445) 1.770 8.444 ( -2.285 4.125 5.716) 7.410 8.499 ( 0.971 -1.441 1.471) 2.277 8.608 ( -3.019 -2.293 0.296) 3.802 8.623 ( -0.338 -3.339 -0.025) 3.356 8.819 ( -1.034 1.003 1.051) 1.783 8.829 ( 1.048 -0.183 0.211) 1.085 8.999 ( 0.893 0.947 2.419) 2.747 9.034 ( 2.308 -1.645 -0.040) 2.835 9.118 ( 0.918 -0.154 -2.957) 3.100 9.132 ( -1.885 -1.943 -3.910) 4.756 9.328 ( 3.492 -1.137 4.498) 5.807 9.348 ( 0.892 -1.482 4.121) 4.469 9.404 ( -2.054 0.506 1.825) 2.794 9.475 ( -4.482 -3.383 -3.694) 6.721 9.668 ( -0.989 1.582 0.019) 1.866 9.708 ( 3.412 -1.286 -3.895) 5.336 9.998 ( 3.872 3.783 6.529) 8.481 10.092 ( 4.447 -4.195 3.676) 7.134 10.109 ( -3.806 1.795 -3.959) 5.778 10.156 ( -2.779 -2.133 -2.583) 4.353 10.325 ( 1.794 4.731 2.727) 5.748 10.360 ( 1.244 0.810 0.533) 1.578 10.453 ( -1.982 3.037 2.879) 4.630 10.497 ( -3.250 -0.791 4.473) 5.585 10.561 ( 2.550 6.101 -2.824) 7.190 10.666 ( 1.278 -1.303 -7.114) 7.344 10.852 ( -2.401 4.002 -0.427) 4.686 10.943 ( -0.657 -2.449 -6.877) 7.330 11.178 ( -1.326 -1.010 8.666) 8.825 11.213 ( 0.625 -4.387 6.025) 7.479 11.444 ( 1.637 0.800 -5.760) 6.041 11.461 ( -0.133 -0.556 -7.760) 7.781 11.760 ( 0.441 1.060 2.754) 2.983 11.778 ( 1.867 -0.755 0.982) 2.241 11.895 ( -1.780 -0.751 0.247) 1.948 11.927 ( -1.475 -3.981 -1.902) 4.652 12.159 ( 0.296 2.560 3.738) 4.540 12.201 ( 1.277 -2.217 0.652) 2.641 12.385 ( -0.100 0.677 -3.127) 3.201 12.404 ( -3.314 -1.560 -4.785) 6.027 12.769 ( -0.579 -1.051 -0.552) 1.321 12.788 ( -1.944 -3.046 -2.317) 4.292 13.125 ( 6.952 1.091 1.962) 7.305 13.142 ( 1.618 -0.545 0.516) 1.783 13.282 ( 1.336 0.677 -1.123) 1.872 13.303 ( -2.331 -1.350 -2.881) 3.944 13.533 ( -0.747 3.441 1.009) 3.663 13.545 ( -1.648 1.989 -0.157) 2.588 13.811 ( 2.770 -0.203 -0.935) 2.931 13.818 ( -2.021 -0.381 -1.714) 2.677 14.126 ( 5.394 3.328 5.645) 8.487 14.202 ( 3.560 -1.300 3.254) 4.995 14.228 ( -1.299 0.935 -0.540) 1.689 14.306 ( -5.892 -3.978 -3.026) 7.726 14.594 ( -0.882 8.028 2.681) 8.510 14.644 ( -2.631 3.811 -3.141) 5.596 15.121 ( -1.704 1.078 1.615) 2.584 15.156 ( 4.160 -1.778 -1.646) 4.814 15.284 ( -0.975 -0.990 2.573) 2.924 15.293 ( 4.340 -1.780 1.926) 5.071 15.595 ( 0.558 2.834 1.588) 3.297 15.657 ( -1.661 2.534 -3.754) 4.824 15.699 ( 0.177 -7.201 0.934) 7.263 15.741 ( -1.508 -5.552 -3.046) 6.510 16.349 ( -2.804 6.028 0.437) 6.663 16.359 ( 4.172 5.287 -0.629) 6.764 16.487 ( 2.336 -4.784 0.572) 5.355 16.495 ( -1.764 -5.378 -0.112) 5.661 16.730 ( 0.084 1.800 0.909) 2.019 16.746 ( -1.668 0.176 -0.526) 1.758 17.430 ( -1.580 0.625 0.721) 1.846 17.437 ( 1.244 0.036 0.059) 1.246 17.506 ( 0.022 0.216 0.252) 0.333 17.517 ( -1.424 -0.810 -0.716) 1.788 19.244 ( 0.012 1.634 2.253) 2.783 19.281 ( 0.094 -1.519 0.859) 1.748 19.292 ( 0.059 0.425 -1.319) 1.387 19.316 ( 0.078 -1.448 -1.507) 2.091 25.099 ( 0.007 1.857 1.324) 2.280 25.122 ( -0.875 0.374 -0.635) 1.144 25.155 ( 0.746 -0.149 0.367) 0.844 25.174 ( 0.215 -1.352 -1.301) 1.889 26.893 ( 0.095 0.299 0.476) 0.570 26.903 ( -0.229 -0.427 -0.288) 0.564 26.976 ( -0.673 0.598 0.060) 0.902 27.005 ( 1.391 -1.852 -2.793) 3.629 27.959 ( -1.190 8.135 0.865) 8.267 27.983 ( 1.031 7.622 -1.640) 7.864 28.076 ( -1.691 -2.261 0.926) 2.971 28.095 ( 1.424 -2.264 -1.100) 2.892 28.624 ( -0.408 1.416 9.613) 9.725 28.651 ( -1.071 -0.729 9.439) 9.528 28.786 ( 0.840 1.217 -3.725) 4.007 28.823 ( 0.680 -1.934 -5.345) 5.724 28.979 ( -0.094 4.894 -1.628) 5.159 29.015 ( 0.789 1.194 -4.736) 4.947 29.705 ( 0.209 -0.902 -2.338) 2.515 29.730 ( -0.347 -3.390 -4.567) 5.699 30.117 ( -2.662 0.260 0.463) 2.715 30.149 ( 1.112 -2.507 -2.508) 3.716 30.255 ( -0.890 0.034 -0.055) 0.893 30.257 ( -2.434 -0.193 -0.229) 2.452 30.411 ( 2.783 0.643 1.065) 3.049 30.443 ( -0.046 -2.708 -2.107) 3.432 31.100 ( -0.664 0.222 7.106) 7.141 31.153 ( 2.108 -5.325 2.118) 6.106 ======================= Grid point 85 (49/54) ======================= q-point: ( 0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 9.630 14.354 9.726) 19.833 2.115 ( 9.034 -2.423 -3.919) 10.141 2.227 ( 4.968 4.525 -7.132) 9.799 2.268 ( 10.759 3.850 10.363) 15.426 2.633 ( 0.876 0.433 1.656) 1.923 2.740 ( 8.720 -7.369 5.729) 12.773 2.897 ( 0.829 2.717 0.980) 3.005 2.980 ( 2.526 -4.818 -1.571) 5.663 3.122 ( 1.044 0.312 -9.395) 9.458 3.154 ( 6.554 -4.957 -2.941) 8.728 3.401 ( -1.167 10.299 -4.407) 11.263 3.506 ( -2.929 -1.512 -5.011) 5.998 3.725 ( 6.044 9.475 2.067) 11.427 3.800 ( -0.908 2.381 6.171) 6.677 3.808 ( 0.435 8.312 2.986) 8.842 3.924 ( 2.828 4.476 -1.484) 5.498 3.963 ( -5.228 4.471 -3.599) 7.764 3.981 ( -0.444 -3.544 7.752) 8.535 4.094 ( 2.106 0.480 0.402) 2.197 4.105 ( 4.115 1.282 -4.162) 5.992 4.195 ( 0.052 4.759 4.090) 6.275 4.297 ( 4.664 -1.410 8.989) 10.225 4.343 ( 3.529 4.862 -1.973) 6.324 4.455 ( 0.783 -1.424 2.486) 2.970 4.473 ( 2.547 5.136 8.554) 10.297 4.617 ( 4.401 -1.997 3.678) 6.074 4.712 ( 3.028 0.945 1.079) 3.350 4.757 ( 2.219 -6.713 1.846) 7.307 4.794 ( 1.487 3.868 -3.211) 5.243 4.830 ( -3.906 2.513 -2.303) 5.184 4.919 ( -1.816 0.344 -0.397) 1.890 4.963 ( 0.543 6.115 0.156) 6.141 4.996 ( -2.170 -1.382 -3.794) 4.584 5.107 ( 8.188 -6.867 0.890) 10.723 5.142 ( 6.142 5.450 -2.269) 8.519 5.223 ( 8.931 1.826 0.152) 9.117 5.239 ( -0.856 -2.257 -9.216) 9.526 5.283 ( 4.929 0.934 0.359) 5.029 5.332 ( 4.383 -3.768 2.636) 6.353 5.345 ( 8.449 -8.009 -2.973) 12.016 5.498 ( -1.130 -2.491 -0.935) 2.891 5.519 ( -1.558 -4.755 3.363) 6.029 5.664 ( 4.114 1.502 0.141) 4.381 5.727 ( 3.199 -3.648 -5.830) 7.585 5.819 ( 0.169 3.740 0.723) 3.813 5.936 ( -0.930 -5.891 -2.397) 6.428 5.997 ( -1.545 7.315 -5.741) 9.426 6.024 ( -5.155 5.807 -0.596) 7.788 6.191 ( -5.283 0.866 -2.039) 5.729 6.249 ( -1.310 -4.540 3.542) 5.905 6.421 ( -4.815 2.543 2.301) 5.911 6.474 ( -5.642 -0.036 -2.039) 5.999 6.528 ( -5.206 -4.931 -3.467) 7.965 6.618 ( -8.332 -10.105 -1.026) 13.138 6.695 ( -2.426 4.463 -2.955) 5.877 6.760 ( -6.292 2.601 -3.089) 7.477 6.859 ( -1.220 -0.008 7.447) 7.546 6.968 ( 2.735 -9.417 6.924) 12.004 7.075 ( -5.437 4.113 1.314) 6.943 7.130 ( -5.514 -0.979 -4.634) 7.269 7.278 ( -2.960 2.599 5.206) 6.529 7.324 ( 0.387 0.049 -1.796) 1.838 7.357 ( 2.670 -1.664 3.098) 4.415 7.400 ( -0.813 -3.894 -4.577) 6.064 7.475 ( -1.140 2.442 -3.471) 4.394 7.580 ( 5.208 -5.548 -0.698) 7.642 7.666 ( 2.285 1.767 -0.434) 2.921 7.709 ( 0.326 -2.219 -3.730) 4.352 7.926 ( -10.062 0.987 3.902) 10.837 7.936 ( -5.720 -0.188 4.856) 7.505 8.025 ( 1.002 4.753 -0.128) 4.859 8.133 ( -0.705 -4.534 -2.245) 5.108 8.219 ( -2.750 2.354 -0.164) 3.624 8.253 ( -2.271 -0.726 -0.990) 2.582 8.383 ( -4.449 4.077 4.307) 7.414 8.498 ( -2.113 -4.120 2.454) 5.240 8.588 ( -0.433 -1.238 4.701) 4.880 8.643 ( 0.715 -4.002 4.100) 5.773 8.744 ( -4.746 1.714 0.275) 5.054 8.785 ( -4.527 -2.077 0.404) 4.997 8.966 ( -3.328 4.195 -0.622) 5.391 9.043 ( -1.903 -2.480 -1.629) 3.524 9.134 ( 1.567 0.468 -4.123) 4.436 9.186 ( 3.433 -3.626 0.359) 5.006 9.221 ( -0.950 2.560 0.671) 2.812 9.323 ( -4.728 -4.387 -3.108) 7.160 9.442 ( 0.757 -0.490 3.742) 3.849 9.467 ( 1.701 -1.272 2.696) 3.432 9.717 ( 3.977 4.780 -2.473) 6.692 9.783 ( 3.816 -1.859 -2.657) 5.008 10.010 ( -2.804 2.022 -1.893) 3.941 10.062 ( -2.805 -3.350 -2.038) 4.821 10.114 ( 3.902 6.079 5.037) 8.807 10.222 ( 5.334 -4.540 1.937) 7.267 10.299 ( -2.534 3.183 0.880) 4.162 10.309 ( -1.907 2.434 0.111) 3.094 10.454 ( -1.928 2.634 -1.660) 3.662 10.519 ( 3.915 -0.402 1.704) 4.289 10.616 ( 1.891 1.291 -0.696) 2.393 10.672 ( -1.392 -5.050 0.279) 5.245 10.771 ( -5.193 7.620 -0.769) 9.253 10.925 ( -3.138 -5.459 -2.202) 6.670 11.068 ( -5.570 4.518 4.146) 8.284 11.168 ( -4.064 -3.992 2.908) 6.396 11.452 ( 1.186 1.468 -5.635) 5.943 11.471 ( 2.431 -0.256 -4.953) 5.523 11.662 ( -7.537 1.215 -0.231) 7.638 11.697 ( -7.116 -1.802 0.242) 7.344 11.854 ( -4.232 -0.780 2.768) 5.116 11.873 ( -5.477 -3.617 0.866) 6.620 12.112 ( -4.017 2.977 2.170) 5.451 12.159 ( -3.304 -2.084 1.002) 4.033 12.340 ( -2.752 1.337 -1.916) 3.610 12.383 ( 0.183 -2.549 -1.178) 2.814 12.881 ( 6.866 -0.555 -0.308) 6.895 12.893 ( 9.697 -1.545 1.526) 9.937 13.050 ( -8.443 3.695 -5.168) 10.566 13.126 ( -6.738 -3.575 -4.669) 8.943 13.267 ( 2.470 4.846 -0.425) 5.456 13.361 ( 3.701 -4.237 0.366) 5.637 13.605 ( 8.591 5.177 2.118) 10.252 13.709 ( 9.754 -4.872 2.614) 11.212 13.847 ( 4.465 4.266 -4.408) 7.587 13.932 ( 8.200 -3.886 -3.239) 9.635 14.156 ( -1.091 0.703 -2.314) 2.653 14.196 ( -2.518 -2.340 -1.078) 3.603 14.296 ( 10.567 3.749 2.413) 11.469 14.385 ( 9.392 -3.913 3.318) 10.702 14.682 ( 10.760 6.279 4.134) 13.126 14.715 ( 8.527 2.666 1.271) 9.024 15.095 ( 0.832 4.300 -1.054) 4.505 15.185 ( 1.888 -3.584 -1.614) 4.360 15.363 ( 5.861 2.166 -0.431) 6.264 15.446 ( 8.128 -4.484 -2.298) 9.563 15.559 ( -2.829 3.457 -0.105) 4.468 15.659 ( -0.119 -4.556 2.084) 5.011 15.694 ( 1.633 -0.124 -1.801) 2.435 15.786 ( 4.167 -7.130 0.745) 8.292 16.273 ( -4.665 5.178 0.201) 6.972 16.374 ( -7.025 -4.184 0.162) 8.178 16.457 ( 5.228 6.468 -2.706) 8.746 16.573 ( 2.876 -4.502 0.171) 5.345 16.727 ( 0.387 1.856 0.680) 2.014 16.747 ( 1.821 -0.337 0.565) 1.936 17.373 ( -2.931 2.496 0.974) 3.971 17.423 ( -1.311 -2.448 0.761) 2.879 17.545 ( 2.845 0.854 -0.113) 2.972 17.557 ( 3.492 -0.326 1.045) 3.659 19.160 ( -8.485 1.642 1.634) 8.795 19.187 ( -9.637 -0.449 -0.243) 9.651 19.218 ( -6.217 -0.558 -0.638) 6.274 19.232 ( -7.624 -1.386 -1.188) 7.839 25.097 ( 0.739 4.259 1.717) 4.651 25.145 ( 1.404 4.332 -2.016) 4.980 25.195 ( 4.668 -4.856 1.578) 6.918 25.253 ( 6.020 -5.927 -2.068) 8.698 26.896 ( 0.474 0.705 0.269) 0.891 26.914 ( 0.903 -0.995 0.314) 1.380 26.971 ( 0.181 2.708 -0.940) 2.873 27.031 ( 1.174 -2.823 -2.911) 4.222 27.961 ( 1.610 9.046 0.766) 9.220 28.030 ( 2.613 9.826 -0.709) 10.192 28.084 ( 2.978 -3.667 0.602) 4.762 28.150 ( 3.886 -2.573 -0.889) 4.744 28.632 ( 0.668 1.471 9.280) 9.419 28.662 ( 1.535 -0.687 9.275) 9.426 28.827 ( 3.296 2.343 -4.970) 6.408 28.876 ( 4.646 -2.370 -4.360) 6.798 29.003 ( 3.248 4.633 -2.403) 6.147 29.057 ( 3.799 -0.621 -5.143) 6.424 29.645 ( -6.279 -1.240 -1.793) 6.647 29.677 ( -4.951 -3.711 -2.497) 6.672 29.960 ( -9.351 4.270 3.314) 10.800 30.060 ( -6.736 -5.402 -1.211) 8.719 30.258 ( -0.796 0.660 -0.344) 1.090 30.268 ( 1.493 -0.480 0.967) 1.843 30.508 ( 5.903 -0.365 -1.044) 6.006 30.516 ( 5.210 -1.254 -0.519) 5.384 30.980 ( -10.868 2.432 4.609) 12.053 31.077 ( -8.757 -7.267 0.338) 11.385 ======================= Grid point 86 (50/54) ======================= q-point: ( 0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 11.595 13.809 2.622) 18.221 2.330 ( 11.407 2.613 -1.835) 11.846 2.368 ( 7.137 -6.696 -3.528) 10.402 2.454 ( 7.810 -2.978 8.625) 12.011 2.714 ( 7.079 9.508 8.928) 14.840 2.809 ( -0.558 1.360 3.850) 4.121 2.976 ( 4.532 2.738 -0.427) 5.312 3.081 ( 7.120 -6.748 -2.575) 10.142 3.125 ( -1.696 6.746 -6.789) 9.720 3.261 ( 6.008 -6.488 -4.496) 9.920 3.404 ( 2.019 0.964 -5.632) 6.060 3.431 ( -3.195 -2.245 -7.447) 8.408 3.724 ( -2.171 6.386 7.038) 9.748 3.787 ( 4.125 0.368 -5.934) 7.236 3.804 ( -0.929 4.138 0.622) 4.287 3.839 ( -6.444 1.281 3.031) 7.236 3.992 ( -0.534 1.236 -2.180) 2.562 4.013 ( -2.156 -0.211 3.462) 4.084 4.079 ( -1.185 3.290 5.986) 6.932 4.192 ( -3.999 -5.064 1.993) 6.753 4.247 ( 4.021 1.551 -1.087) 4.445 4.295 ( 0.490 2.733 -3.137) 4.190 4.403 ( -6.799 0.220 -1.416) 6.948 4.446 ( 5.834 7.705 -2.590) 10.005 4.544 ( 4.450 0.142 -4.007) 5.990 4.654 ( 1.463 -4.464 0.810) 4.766 4.787 ( 2.915 3.434 3.544) 5.732 4.797 ( 1.463 1.662 0.423) 2.254 4.857 ( 2.243 1.571 2.931) 4.011 4.919 ( -2.196 -3.975 1.506) 4.785 4.966 ( 17.892 3.431 11.410) 21.496 5.022 ( 10.491 3.613 -0.696) 11.118 5.062 ( 4.212 0.555 0.779) 4.320 5.097 ( 0.127 6.207 -0.890) 6.271 5.228 ( -4.432 -3.516 -0.899) 5.728 5.281 ( 3.086 3.679 3.235) 5.790 5.326 ( 3.845 2.321 0.241) 4.497 5.391 ( 8.535 -1.187 5.664) 10.312 5.492 ( 10.087 -3.238 -7.881) 13.204 5.534 ( 3.606 -4.501 0.784) 5.820 5.569 ( 7.929 0.659 1.810) 8.160 5.594 ( 8.609 0.764 -3.024) 9.157 5.714 ( 0.978 1.545 -5.193) 5.505 5.766 ( -6.153 -0.727 -3.721) 7.227 5.821 ( 5.872 -2.120 -2.820) 6.850 5.884 ( -0.207 -3.134 0.744) 3.227 5.966 ( 0.952 8.252 0.005) 8.307 6.066 ( 7.576 3.683 -2.283) 8.728 6.114 ( 3.036 -1.208 5.351) 6.270 6.242 ( 1.100 -12.637 2.606) 12.950 6.290 ( -8.248 2.651 -3.170) 9.226 6.389 ( -7.739 -3.146 -1.910) 8.570 6.393 ( -2.980 0.654 -3.239) 4.450 6.494 ( -3.109 -7.715 -0.633) 8.342 6.620 ( -5.934 1.921 1.005) 6.318 6.634 ( -3.693 -4.359 -3.664) 6.787 6.824 ( -5.323 3.835 8.797) 10.974 6.923 ( -4.316 4.554 7.971) 10.144 6.994 ( -1.074 -3.340 3.601) 5.027 7.089 ( 1.952 -3.023 -2.812) 4.567 7.211 ( -4.795 2.189 -1.380) 5.448 7.259 ( -7.977 -0.776 -4.444) 9.164 7.305 ( -6.835 -3.980 2.134) 8.192 7.328 ( -6.324 -4.265 -4.366) 8.789 7.503 ( -1.851 2.955 5.302) 6.346 7.615 ( -4.989 -5.931 0.681) 7.780 7.621 ( -5.652 0.874 -1.701) 5.967 7.665 ( -4.500 -2.382 -0.886) 5.168 7.787 ( 0.834 0.818 -0.690) 1.356 7.811 ( -5.296 -0.617 -1.645) 5.580 8.019 ( -2.821 3.637 0.884) 4.687 8.098 ( -5.013 -2.295 0.889) 5.585 8.174 ( -3.852 3.368 -1.347) 5.291 8.215 ( 0.496 1.623 -2.484) 3.008 8.278 ( -4.347 -1.051 -3.040) 5.408 8.390 ( -6.887 -6.923 3.149) 10.260 8.550 ( -2.961 1.570 2.105) 3.958 8.578 ( -5.052 -1.669 2.256) 5.779 8.760 ( 1.823 -1.607 3.074) 3.918 8.763 ( 4.023 -1.574 4.752) 6.422 8.920 ( -0.695 3.531 1.848) 4.046 8.983 ( -2.750 -3.222 2.527) 4.933 9.134 ( -0.939 3.022 -3.413) 4.655 9.185 ( -0.575 -0.453 -3.116) 3.201 9.285 ( 1.495 0.003 -2.164) 2.630 9.321 ( 4.289 -3.190 -1.045) 5.446 9.441 ( -1.626 0.253 0.435) 1.703 9.458 ( -0.826 -0.350 -0.747) 1.168 9.774 ( 1.968 4.869 -2.279) 5.725 9.840 ( 1.824 -1.658 -2.151) 3.271 9.965 ( -1.780 2.664 -0.377) 3.226 10.016 ( -1.815 -2.843 -1.139) 3.560 10.169 ( 0.882 6.868 7.835) 10.456 10.254 ( 0.921 -0.788 0.714) 1.406 10.310 ( 2.461 4.496 0.346) 5.138 10.349 ( -0.391 2.860 1.646) 3.323 10.422 ( 2.401 -3.895 -4.237) 6.236 10.487 ( -8.384 -9.367 3.192) 12.970 10.608 ( 0.880 3.567 -3.719) 5.228 10.658 ( -1.288 -1.821 -0.610) 2.313 10.717 ( 2.797 6.109 0.773) 6.763 10.864 ( -0.684 -6.162 0.037) 6.200 11.029 ( -0.126 6.056 1.116) 6.159 11.125 ( -0.625 -2.393 0.483) 2.520 11.460 ( -3.604 0.974 -2.583) 4.540 11.493 ( -4.385 -1.939 -3.836) 6.140 11.601 ( 3.461 0.687 -2.738) 4.466 11.617 ( 3.233 -1.004 -1.877) 3.871 11.706 ( -10.153 -0.276 2.209) 10.395 11.745 ( -5.449 -3.523 2.302) 6.885 12.029 ( -4.201 4.250 3.397) 6.874 12.089 ( -4.465 -1.438 3.597) 5.911 12.310 ( -0.446 4.589 -0.147) 4.613 12.397 ( 1.128 -4.068 -1.008) 4.340 12.853 ( -10.491 3.634 -4.948) 12.155 12.930 ( -10.311 -2.727 -2.970) 11.071 12.985 ( 4.569 3.694 0.812) 5.931 13.060 ( 6.362 -4.298 1.971) 7.927 13.371 ( 5.859 3.069 0.096) 6.615 13.449 ( 3.275 -4.170 0.094) 5.303 13.706 ( -0.405 3.288 1.861) 3.799 13.755 ( -0.363 -1.715 0.497) 1.822 13.950 ( 1.692 1.323 -5.598) 5.995 14.013 ( 0.902 -4.610 -6.753) 8.226 14.252 ( 11.340 0.401 1.529) 11.450 14.283 ( 10.379 -2.442 0.871) 10.698 14.519 ( 11.232 2.982 0.292) 11.625 14.571 ( 9.013 -1.279 0.653) 9.127 14.909 ( 9.799 2.790 1.431) 10.288 14.954 ( 13.837 -0.878 4.814) 14.677 15.166 ( 5.656 6.941 0.126) 8.954 15.267 ( 5.298 -2.466 0.251) 5.849 15.469 ( 5.823 1.591 -0.837) 6.095 15.507 ( -1.818 3.774 -2.759) 5.016 15.541 ( 1.038 -0.641 -4.752) 4.906 15.636 ( -1.940 -7.617 3.846) 8.751 15.754 ( 3.489 1.482 0.291) 3.802 15.856 ( 1.552 -7.188 1.758) 7.561 16.185 ( -3.378 2.181 0.838) 4.107 16.238 ( -5.858 -2.553 1.097) 6.484 16.535 ( 2.136 4.441 -3.444) 6.012 16.588 ( -1.060 -0.511 -0.548) 1.299 16.776 ( 4.254 1.970 1.402) 4.893 16.812 ( 4.444 -1.578 -1.705) 5.015 17.337 ( -0.505 3.368 0.704) 3.478 17.406 ( -0.518 -3.365 0.582) 3.454 17.592 ( 1.803 1.388 -0.015) 2.275 17.615 ( 1.991 -0.747 0.908) 2.313 18.955 ( -10.832 1.252 0.384) 10.911 18.973 ( -10.775 -0.480 -0.805) 10.815 19.062 ( -8.815 -0.461 -0.195) 8.829 19.069 ( -8.067 -1.092 -0.780) 8.177 25.122 ( 1.376 6.962 2.580) 7.551 25.178 ( 1.902 7.348 -3.180) 8.229 25.297 ( 4.930 -9.829 2.866) 11.363 25.374 ( 5.754 -11.951 -3.458) 13.708 26.912 ( 1.051 1.176 0.356) 1.616 26.930 ( 0.739 -0.361 0.294) 0.873 26.980 ( 0.642 3.293 -1.238) 3.576 27.042 ( -0.026 -2.434 -2.565) 3.536 28.015 ( 3.459 10.890 1.093) 11.479 28.075 ( 2.311 10.260 -0.040) 10.517 28.171 ( 4.731 -2.104 0.193) 5.181 28.226 ( 3.487 -2.141 -0.991) 4.210 28.652 ( 0.874 1.817 8.837) 9.064 28.702 ( 1.893 -2.061 6.731) 7.290 28.903 ( 4.759 3.681 -6.299) 8.711 28.979 ( 5.217 -3.369 -3.854) 7.309 29.106 ( 6.432 3.598 -0.338) 7.378 29.164 ( 7.136 -2.296 -5.479) 9.285 29.504 ( -6.309 -1.519 0.227) 6.493 29.539 ( -8.372 -4.332 -0.057) 9.426 29.817 ( -5.149 5.683 5.117) 9.219 29.938 ( -5.361 -5.922 -0.052) 7.988 30.205 ( -5.118 2.746 -1.905) 6.113 30.264 ( -3.207 -2.837 -1.062) 4.412 30.562 ( -1.045 0.982 2.211) 2.635 30.609 ( 1.992 -3.216 3.856) 5.402 30.767 ( -7.256 5.375 -0.952) 9.080 30.901 ( -6.711 -7.759 -2.790) 10.632 ======================= Grid point 87 (51/54) ======================= q-point: ( 0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( 6.277 10.080 1.062) 11.922 2.418 ( -2.705 -0.802 -1.955) 3.433 2.496 ( 6.584 0.642 4.637) 8.079 2.554 ( 1.870 -6.514 3.890) 7.814 2.824 ( 2.707 5.087 -3.527) 6.756 2.888 ( -0.501 -0.345 -4.679) 4.718 3.002 ( 9.343 13.101 10.558) 19.246 3.146 ( 4.908 4.344 -2.449) 6.997 3.195 ( -6.496 -0.530 4.608) 7.982 3.221 ( 1.256 -1.609 0.060) 2.042 3.493 ( 4.580 2.234 1.186) 5.232 3.558 ( 6.645 -2.692 -3.485) 7.971 3.650 ( -1.034 9.566 1.173) 9.693 3.711 ( -2.093 0.836 -0.802) 2.392 3.740 ( -4.929 -1.043 -3.581) 6.181 3.870 ( -3.286 -6.959 -5.416) 9.410 3.926 ( 0.064 1.663 -4.450) 4.751 3.987 ( -2.077 -4.934 -3.310) 6.294 4.057 ( 0.090 0.028 0.796) 0.801 4.095 ( -5.932 -2.397 1.202) 6.510 4.216 ( 0.556 3.415 -3.040) 4.605 4.327 ( 0.717 3.189 -3.992) 5.159 4.398 ( 6.692 -2.633 0.816) 7.238 4.494 ( 0.798 1.057 0.730) 1.512 4.605 ( -0.682 -2.151 1.806) 2.891 4.684 ( -3.702 -0.335 1.920) 4.184 4.747 ( -1.917 -0.892 4.781) 5.228 4.834 ( -5.225 -3.005 2.462) 6.511 4.905 ( 12.843 10.018 -5.814) 17.295 5.006 ( 1.785 4.898 2.727) 5.883 5.080 ( 7.277 -3.911 -6.504) 10.515 5.101 ( -2.988 1.046 -0.675) 3.236 5.107 ( -2.137 3.184 3.156) 4.966 5.174 ( -5.096 -1.485 4.565) 7.002 5.232 ( 6.202 -0.691 4.057) 7.443 5.258 ( 2.680 -1.408 -1.025) 3.197 5.434 ( -7.536 4.044 -4.851) 9.833 5.467 ( -3.112 3.558 -7.802) 9.122 5.545 ( 5.084 4.358 6.421) 9.278 5.614 ( 4.945 0.728 3.027) 5.844 5.681 ( 3.650 2.414 4.080) 5.983 5.711 ( 2.510 4.110 -1.391) 5.013 5.724 ( 8.139 0.449 -2.284) 8.465 5.824 ( -2.463 -8.928 -0.608) 9.281 5.880 ( 9.699 -2.991 5.469) 11.530 5.975 ( -1.478 -0.676 1.241) 2.045 6.041 ( -5.919 0.344 -0.293) 5.936 6.069 ( 0.298 7.174 6.836) 9.914 6.175 ( 6.925 7.499 0.300) 10.212 6.220 ( -3.834 -8.679 -0.891) 9.531 6.279 ( -2.081 -7.437 3.856) 8.632 6.338 ( 8.330 -1.555 -7.752) 11.485 6.407 ( 3.859 4.244 3.025) 6.485 6.522 ( -0.031 -8.687 -2.773) 9.118 6.605 ( 5.980 2.871 2.248) 7.004 6.637 ( 8.741 -2.437 -1.071) 9.138 6.757 ( 3.049 5.339 7.129) 9.414 6.836 ( -6.188 1.094 2.592) 6.798 6.966 ( -5.884 4.941 0.062) 7.684 7.046 ( -8.663 -0.168 -2.048) 8.903 7.099 ( -8.263 -4.675 -6.640) 11.586 7.139 ( 1.670 -2.577 2.178) 3.765 7.161 ( -4.907 -2.561 1.010) 5.627 7.194 ( -0.091 -9.637 0.221) 9.640 7.416 ( -4.559 0.349 7.804) 9.045 7.477 ( -6.662 -3.819 4.924) 9.122 7.553 ( -2.367 -0.079 -4.046) 4.688 7.603 ( -3.706 -1.519 -2.871) 4.928 7.714 ( -1.500 2.396 -1.188) 3.067 7.810 ( 1.450 -4.266 -3.769) 5.874 7.884 ( -9.051 1.863 -2.849) 9.670 7.948 ( -8.530 -2.936 -2.736) 9.427 8.173 ( 2.849 1.757 0.342) 3.365 8.221 ( 2.348 -0.911 -2.249) 3.376 8.259 ( -0.270 -0.864 -4.163) 4.260 8.296 ( -3.184 -3.695 -1.196) 5.022 8.496 ( -1.932 1.048 0.813) 2.343 8.509 ( -2.161 -0.320 0.606) 2.267 8.800 ( 2.209 -0.068 4.201) 4.747 8.819 ( 1.321 -1.549 4.490) 4.930 8.951 ( 1.741 1.051 5.247) 5.628 8.963 ( 0.847 -0.434 4.874) 4.967 9.134 ( 0.807 2.935 -2.874) 4.186 9.179 ( 0.633 -0.734 -5.829) 5.909 9.300 ( -0.003 1.884 -0.186) 1.894 9.334 ( -1.984 -1.883 -1.194) 2.985 9.419 ( 0.491 0.590 -1.180) 1.408 9.460 ( -0.422 -2.816 -3.317) 4.372 9.789 ( -0.421 3.766 -1.095) 3.945 9.840 ( -1.750 -0.847 -4.140) 4.574 9.944 ( -0.274 3.671 4.395) 5.732 9.987 ( -1.355 -0.785 1.796) 2.383 10.189 ( 1.634 5.184 5.036) 7.410 10.281 ( -3.472 -0.402 -1.688) 3.882 10.318 ( 2.862 0.628 0.172) 2.935 10.323 ( 0.309 -2.755 8.680) 9.112 10.410 ( 1.084 0.144 -2.755) 2.964 10.489 ( 3.241 -4.219 -4.865) 7.209 10.574 ( -3.182 2.387 -4.319) 5.872 10.605 ( -4.778 -0.590 -1.817) 5.146 10.847 ( 8.054 3.341 1.043) 8.782 10.919 ( 2.824 -1.422 1.557) 3.524 11.049 ( 3.432 1.185 0.996) 3.765 11.121 ( -0.504 -2.992 -0.891) 3.162 11.348 ( -5.913 -0.835 -1.575) 6.176 11.381 ( -7.050 -4.064 -1.699) 8.313 11.533 ( -3.487 0.650 -0.530) 3.587 11.540 ( -5.099 -0.430 -0.191) 5.121 11.768 ( 7.804 1.407 -0.488) 7.945 11.810 ( 5.943 -2.431 0.039) 6.421 11.955 ( -2.895 3.769 3.423) 5.857 11.987 ( -4.933 0.877 3.424) 6.069 12.316 ( 1.327 7.138 0.853) 7.310 12.411 ( 0.070 -1.604 -3.542) 3.888 12.691 ( -4.474 0.791 -1.533) 4.795 12.757 ( -6.588 -3.976 -2.537) 8.102 13.082 ( 5.173 3.571 2.650) 6.821 13.152 ( 2.026 -3.341 2.099) 4.435 13.427 ( -0.555 0.539 -0.771) 1.092 13.444 ( -1.705 -0.789 -0.709) 2.009 13.700 ( 0.356 0.575 1.126) 1.314 13.746 ( 0.309 -3.604 -3.218) 4.842 13.961 ( 0.799 1.467 -2.719) 3.191 14.004 ( -1.729 -2.625 -3.706) 4.860 14.455 ( 6.905 0.129 1.081) 6.990 14.469 ( 6.033 -1.234 0.677) 6.195 14.686 ( 4.890 0.490 -1.261) 5.074 14.694 ( 2.728 -0.249 -0.098) 2.741 15.083 ( 7.878 3.430 1.670) 8.753 15.150 ( 4.916 -1.021 3.788) 6.289 15.249 ( 2.032 4.208 1.406) 4.880 15.327 ( -0.142 -2.071 -0.654) 2.176 15.474 ( -1.365 3.071 -1.735) 3.782 15.486 ( -5.049 2.104 0.123) 5.471 15.602 ( 6.083 0.997 4.117) 7.413 15.656 ( 4.351 -4.131 1.715) 6.240 15.782 ( -1.112 -0.232 -2.633) 2.868 15.821 ( -3.751 -3.014 -1.121) 4.941 16.164 ( 0.719 -0.965 1.309) 1.778 16.189 ( 0.601 -3.922 0.247) 3.976 16.539 ( -1.220 2.517 -0.699) 2.883 16.551 ( -2.117 1.433 -0.766) 2.669 16.851 ( 2.367 2.375 1.353) 3.616 16.886 ( 2.485 -1.140 -2.175) 3.494 17.354 ( 1.799 2.005 0.459) 2.732 17.393 ( -1.229 -1.751 0.277) 2.157 17.615 ( 0.664 0.818 -0.125) 1.061 17.632 ( 0.318 -0.670 -1.165) 1.381 18.798 ( -4.276 1.177 0.281) 4.444 18.818 ( -4.184 -0.774 -1.399) 4.479 18.927 ( -4.100 0.000 0.212) 4.105 18.942 ( -4.057 -1.323 -1.044) 4.393 25.143 ( 0.482 8.638 2.977) 9.150 25.206 ( 0.928 8.590 -3.615) 9.366 25.370 ( 2.173 -12.920 3.549) 13.573 25.453 ( 2.112 -15.097 -4.131) 15.794 26.931 ( 0.671 1.788 0.413) 1.954 26.943 ( 0.660 0.697 -0.781) 1.238 26.991 ( 0.462 1.908 -0.108) 1.966 27.029 ( -1.173 -1.347 -1.977) 2.665 28.075 ( 1.968 12.439 1.915) 12.738 28.115 ( 1.597 11.301 -1.120) 11.468 28.241 ( 1.891 -0.637 0.770) 2.139 28.273 ( 1.307 -0.885 -1.488) 2.170 28.670 ( 0.498 1.417 8.011) 8.151 28.734 ( 1.236 -4.055 2.795) 5.077 28.986 ( 1.167 0.832 -4.144) 4.385 29.024 ( 0.220 -2.341 -3.292) 4.045 29.220 ( 5.249 2.988 3.282) 6.874 29.295 ( 5.259 -3.406 -0.401) 6.278 29.391 ( -4.891 1.135 -3.107) 5.905 29.449 ( -1.612 -3.511 -3.670) 5.329 29.795 ( 4.142 3.157 6.816) 8.578 29.887 ( 1.364 -5.201 3.917) 6.652 30.050 ( -9.422 2.426 -3.003) 10.182 30.119 ( -9.815 -4.003 -3.614) 11.199 30.528 ( -0.624 2.338 4.041) 4.710 30.579 ( -1.587 -2.138 1.786) 3.206 30.752 ( 1.584 2.249 -0.895) 2.893 30.834 ( -1.596 -5.316 -4.250) 6.990 ======================= Grid point 88 (52/54) ======================= q-point: (-0.43 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -7.426 6.878 2.009) 10.320 2.356 ( -3.405 4.444 2.243) 6.031 2.516 ( -3.754 -2.082 3.299) 5.414 2.597 ( -0.079 -7.053 0.442) 7.067 2.790 ( -3.291 4.177 -2.372) 5.822 2.846 ( 0.047 0.015 0.693) 0.695 3.026 ( -4.857 11.516 6.889) 14.271 3.173 ( -3.639 -0.823 -2.675) 4.591 3.191 ( 0.575 6.357 2.645) 6.910 3.279 ( 4.148 0.264 -1.474) 4.410 3.474 ( -9.731 7.406 -1.101) 12.279 3.530 ( -3.015 0.747 -1.229) 3.340 3.662 ( 0.398 0.528 1.739) 1.861 3.691 ( -2.041 -1.250 -3.486) 4.228 3.761 ( 4.201 -1.324 -4.134) 6.041 3.819 ( -0.528 -6.989 -0.341) 7.017 3.933 ( 5.677 3.713 2.400) 7.196 3.984 ( 7.348 -2.078 -4.979) 9.116 4.068 ( 6.701 3.121 -6.629) 9.929 4.169 ( 1.272 -5.976 -0.574) 6.137 4.257 ( 0.028 8.223 -1.161) 8.305 4.279 ( -1.833 0.942 -8.562) 8.806 4.421 ( -7.249 -7.098 1.235) 10.221 4.482 ( -2.472 -7.678 -1.539) 8.212 4.643 ( 7.485 5.296 5.733) 10.814 4.667 ( -1.022 5.502 -2.655) 6.194 4.757 ( 2.779 2.915 3.852) 5.574 4.800 ( 2.255 -5.708 5.586) 8.299 4.879 ( -9.956 -1.780 -2.960) 10.538 4.959 ( -10.807 -4.007 5.213) 12.650 4.997 ( -3.638 5.095 7.017) 9.404 5.084 ( 0.802 -1.050 0.605) 1.453 5.115 ( 1.749 8.269 -2.279) 8.754 5.238 ( -5.861 5.411 2.447) 8.344 5.256 ( 6.612 0.894 -0.396) 6.684 5.364 ( 3.291 -3.083 1.092) 4.640 5.383 ( -2.508 3.089 -6.052) 7.243 5.388 ( 0.885 1.222 -4.301) 4.558 5.561 ( -7.654 5.706 3.638) 10.216 5.610 ( -4.778 2.339 1.310) 5.479 5.654 ( 1.672 3.034 3.041) 4.610 5.701 ( -7.848 -3.884 -0.020) 8.757 5.710 ( -8.903 -0.664 3.659) 9.649 5.745 ( -1.406 -4.768 5.106) 7.126 5.877 ( 1.208 2.262 8.819) 9.185 5.969 ( -0.381 1.929 0.940) 2.179 6.056 ( -5.724 -7.717 -1.019) 9.662 6.107 ( 2.929 -6.070 1.834) 6.985 6.165 ( 1.287 5.838 2.597) 6.518 6.209 ( -3.650 4.181 -4.734) 7.294 6.244 ( 0.375 3.174 -0.991) 3.346 6.384 ( -5.215 -8.756 -1.071) 10.247 6.426 ( 1.525 0.070 1.181) 1.930 6.540 ( 2.243 -7.763 -4.014) 9.023 6.657 ( -5.765 2.460 -2.033) 6.590 6.692 ( -9.861 0.015 -4.516) 10.846 6.870 ( 2.871 0.808 2.738) 4.049 6.901 ( 14.689 5.712 -5.380) 16.654 6.942 ( 11.456 -1.091 1.994) 11.679 6.969 ( 4.292 10.186 -3.295) 11.533 7.070 ( -1.365 1.994 -0.296) 2.434 7.140 ( 6.400 -5.129 0.333) 8.209 7.150 ( -2.506 -9.519 0.515) 9.857 7.213 ( -0.623 -9.372 -0.725) 9.421 7.432 ( 9.438 1.927 8.789) 13.039 7.472 ( 7.044 -1.196 6.382) 9.580 7.559 ( 2.165 -0.933 -2.998) 3.814 7.589 ( 3.792 -3.259 -2.782) 5.722 7.716 ( -4.582 -1.922 -2.645) 5.629 7.742 ( -1.423 -4.131 1.666) 4.676 7.853 ( 5.667 2.669 0.014) 6.264 7.920 ( 6.739 -3.228 -0.633) 7.499 8.215 ( -0.932 0.301 -2.162) 2.374 8.230 ( -2.314 1.330 -4.166) 4.948 8.245 ( 0.788 -0.588 -3.010) 3.167 8.309 ( 5.269 -3.488 -1.961) 6.616 8.496 ( 1.366 0.345 0.765) 1.603 8.504 ( 2.585 -0.094 1.126) 2.821 8.837 ( 0.455 0.199 1.164) 1.265 8.849 ( 2.210 -0.792 2.088) 3.142 8.938 ( -1.646 2.730 4.681) 5.664 8.994 ( 0.270 -2.233 3.461) 4.128 9.142 ( -0.562 2.998 -4.053) 5.073 9.182 ( -1.425 -0.837 -5.448) 5.693 9.295 ( -0.571 1.135 0.633) 1.420 9.324 ( 0.894 -1.195 0.232) 1.510 9.430 ( 0.830 -1.017 -1.898) 2.308 9.438 ( -0.188 -1.439 -3.323) 3.626 9.753 ( -3.070 3.764 2.905) 5.660 9.803 ( -1.055 -1.031 -0.654) 1.614 9.943 ( -0.745 1.748 4.836) 5.196 9.966 ( -0.082 -0.574 2.722) 2.783 10.229 ( -1.245 3.365 -0.702) 3.656 10.240 ( 2.263 3.717 3.573) 5.631 10.311 ( -0.775 -0.106 4.482) 4.550 10.375 ( -0.670 -4.237 1.147) 4.441 10.448 ( 1.525 2.976 -5.417) 6.366 10.497 ( -1.421 -1.176 -2.852) 3.396 10.541 ( 2.572 -0.962 -4.011) 4.861 10.579 ( 2.663 -2.656 -0.599) 3.808 10.862 ( -6.877 4.199 -0.760) 8.093 10.931 ( -1.772 -0.892 0.539) 2.056 11.073 ( -1.475 1.818 -2.045) 3.108 11.140 ( 1.285 -3.094 -1.846) 3.826 11.282 ( 1.636 -0.079 4.690) 4.968 11.324 ( 2.316 -4.661 3.314) 6.170 11.543 ( 5.975 0.685 -1.388) 6.172 11.570 ( 4.644 -1.769 -2.688) 5.650 11.736 ( -8.581 1.796 2.570) 9.136 11.788 ( -4.946 -3.083 1.878) 6.123 12.006 ( 5.583 3.103 -0.334) 6.396 12.019 ( 4.856 2.187 0.152) 5.327 12.375 ( 3.306 5.840 -2.635) 7.210 12.408 ( 1.756 3.442 -5.870) 7.028 12.678 ( -0.734 -2.753 -0.345) 2.870 12.703 ( 4.789 -4.231 3.060) 7.086 13.110 ( -4.918 2.838 -0.212) 5.682 13.159 ( 0.876 -1.397 1.544) 2.259 13.419 ( 0.371 0.277 -0.045) 0.466 13.443 ( 1.969 -1.552 -0.695) 2.602 13.703 ( 0.425 0.928 0.513) 1.142 13.764 ( 0.887 -4.775 -4.799) 6.827 13.937 ( -4.168 1.161 -0.459) 4.350 13.971 ( -1.070 -1.933 -0.502) 2.266 14.465 ( -6.347 -0.042 0.284) 6.353 14.473 ( -5.291 -0.730 0.386) 5.355 14.671 ( -4.927 1.171 0.201) 5.069 14.699 ( -3.352 -1.634 -0.794) 3.813 15.084 ( -7.193 5.772 1.483) 9.341 15.167 ( -3.492 -1.611 1.883) 4.282 15.292 ( 1.164 2.813 -2.432) 3.896 15.325 ( 0.918 -0.904 -0.318) 1.327 15.398 ( -2.740 3.152 4.560) 6.184 15.433 ( -3.400 0.522 4.630) 5.768 15.602 ( -6.618 1.347 3.909) 7.803 15.702 ( -1.170 -7.234 -1.600) 7.501 15.790 ( 3.454 1.566 -2.249) 4.409 15.828 ( 4.558 -1.290 -2.630) 5.418 16.182 ( 0.439 -1.255 -0.351) 1.376 16.212 ( 1.523 -3.814 -1.988) 4.563 16.496 ( -2.452 3.855 2.731) 5.323 16.533 ( 0.050 0.470 1.396) 1.474 16.855 ( -1.825 2.342 0.804) 3.076 16.893 ( -1.651 -1.119 -2.565) 3.249 17.357 ( -1.721 1.340 0.091) 2.183 17.385 ( 1.064 -1.319 0.971) 1.953 17.619 ( 0.162 1.826 -1.016) 2.096 17.656 ( 1.547 -1.695 -2.735) 3.570 18.802 ( 4.578 1.119 0.108) 4.714 18.821 ( 4.374 -0.582 -1.910) 4.809 18.925 ( 3.894 -0.253 0.550) 3.941 18.935 ( 3.638 -1.188 -0.601) 3.874 25.141 ( -0.711 8.955 2.962) 9.459 25.207 ( -0.688 8.129 -3.557) 8.900 25.376 ( -1.773 -13.258 3.562) 13.843 25.447 ( -2.464 -14.696 -4.209) 15.484 26.933 ( -0.444 2.729 -0.214) 2.773 26.957 ( 0.731 0.720 -1.647) 1.940 26.988 ( -1.330 0.668 0.332) 1.525 27.007 ( -0.295 -0.982 -0.162) 1.038 28.078 ( -1.558 12.639 1.590) 12.834 28.127 ( -0.726 11.567 -2.319) 11.819 28.237 ( -1.889 -0.784 1.404) 2.481 28.275 ( -1.387 -0.962 -1.947) 2.577 28.672 ( -0.581 1.947 7.434) 7.707 28.753 ( 0.337 -5.525 3.567) 6.585 28.915 ( -4.558 2.518 -0.292) 5.216 29.017 ( -3.102 -6.553 -1.850) 7.483 29.224 ( -5.321 6.687 1.298) 8.644 29.336 ( -6.940 -2.000 -4.037) 8.274 29.397 ( 5.730 -0.808 0.623) 5.820 29.430 ( 6.138 -3.583 -4.630) 8.482 29.881 ( -1.308 2.917 1.920) 3.729 29.932 ( -2.694 -0.234 -3.769) 4.639 30.010 ( 11.426 -2.388 5.118) 12.745 30.045 ( 7.125 -4.190 -1.251) 8.360 30.553 ( 3.279 2.425 3.519) 5.387 30.588 ( 2.543 -0.351 -0.580) 2.632 30.758 ( -1.377 -0.970 1.461) 2.229 30.791 ( -2.633 -3.593 -3.472) 5.648 ======================= Grid point 89 (53/54) ======================= q-point: (-0.29 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.101 ( -12.372 5.509 7.177) 15.327 2.150 ( -14.384 1.524 7.461) 16.275 2.341 ( -14.951 6.975 3.196) 16.805 2.526 ( -6.224 -9.788 1.251) 11.667 2.809 ( 4.111 6.903 3.098) 8.611 2.895 ( 3.898 2.727 -2.960) 5.603 3.047 ( 2.636 3.214 -4.282) 5.968 3.074 ( -5.251 10.543 -6.947) 13.675 3.104 ( -8.552 -1.268 -7.442) 11.407 3.209 ( -10.561 -5.055 0.471) 11.718 3.303 ( -1.864 -1.039 3.352) 3.973 3.394 ( -4.267 -6.565 -1.431) 7.959 3.659 ( -2.210 2.486 2.537) 4.184 3.684 ( 3.703 0.957 3.925) 5.481 3.848 ( -0.184 5.316 0.126) 5.321 3.911 ( 2.007 -1.115 -0.442) 2.338 4.059 ( 2.147 9.853 5.352) 11.417 4.075 ( -3.925 4.297 -3.334) 6.707 4.131 ( 2.860 -1.805 -5.061) 6.087 4.210 ( 5.356 0.703 -0.067) 5.402 4.240 ( -2.867 -1.557 -2.907) 4.369 4.267 ( 3.224 -0.309 -3.422) 4.711 4.383 ( 5.460 2.940 -1.114) 6.300 4.466 ( -7.704 3.689 7.191) 11.165 4.478 ( 1.600 -0.585 -5.320) 5.586 4.649 ( -5.867 -2.839 1.130) 6.615 4.751 ( -5.059 -2.611 1.630) 5.922 4.790 ( -2.572 -3.908 3.848) 6.058 4.869 ( 0.015 5.478 5.306) 7.627 4.879 ( -2.736 0.023 2.585) 3.764 4.931 ( -0.962 -2.870 2.756) 4.093 5.057 ( -3.828 -4.399 2.908) 6.517 5.077 ( -5.438 13.292 1.524) 14.442 5.187 ( -1.922 5.095 -5.003) 7.395 5.246 ( -6.996 -2.373 -6.261) 9.684 5.286 ( -11.752 -1.999 8.914) 14.885 5.293 ( -4.017 0.130 4.462) 6.005 5.356 ( 1.780 -4.418 0.575) 4.797 5.477 ( -2.973 3.166 2.964) 5.258 5.520 ( -2.034 4.593 -2.759) 5.731 5.526 ( -7.467 0.464 2.880) 8.016 5.560 ( -1.998 1.867 -4.376) 5.160 5.723 ( -4.859 -0.460 2.435) 5.454 5.769 ( 0.828 2.413 -0.437) 2.588 5.830 ( -4.005 -6.969 -5.895) 9.968 5.885 ( -2.154 -6.010 1.646) 6.593 5.981 ( -0.777 4.507 -3.781) 5.934 6.107 ( -2.670 7.791 -3.657) 9.011 6.121 ( -3.001 -4.887 0.940) 5.812 6.212 ( -2.454 -1.063 -3.306) 4.252 6.248 ( 9.794 0.237 1.630) 9.932 6.390 ( 4.475 -3.016 -1.526) 5.608 6.476 ( 2.739 -4.984 -0.927) 5.762 6.543 ( 1.958 -7.267 -5.652) 9.412 6.599 ( 1.577 0.007 -2.234) 2.735 6.638 ( 1.245 0.187 -0.137) 1.267 6.885 ( 5.111 2.029 3.468) 6.501 6.964 ( -0.970 3.035 2.587) 4.104 7.025 ( -0.878 -1.091 2.311) 2.702 7.069 ( -1.872 -0.015 -2.252) 2.928 7.180 ( 7.638 -0.836 2.662) 8.132 7.208 ( 4.722 -3.117 2.291) 6.104 7.298 ( 8.565 0.311 -4.951) 9.898 7.330 ( 8.246 -2.860 -0.976) 8.782 7.536 ( 1.938 -3.493 2.149) 4.536 7.555 ( 4.281 -4.221 1.864) 6.294 7.686 ( -0.349 1.406 -7.115) 7.261 7.713 ( 7.083 0.523 1.636) 7.288 7.736 ( 5.621 -0.654 3.281) 6.542 7.770 ( 10.499 -1.018 0.547) 10.562 8.002 ( 5.879 1.616 3.348) 6.956 8.077 ( 7.153 -3.672 3.439) 8.745 8.170 ( -2.610 0.346 -2.338) 3.521 8.180 ( -1.144 -0.762 -1.127) 1.777 8.313 ( 6.299 5.414 -4.428) 9.412 8.423 ( 5.568 -3.843 0.626) 6.795 8.555 ( 4.576 2.018 1.014) 5.103 8.598 ( 6.798 -2.258 0.010) 7.164 8.822 ( -2.261 -0.203 -3.279) 3.988 8.856 ( -3.177 -3.184 -3.000) 5.407 8.913 ( -0.406 3.329 2.710) 4.312 8.987 ( -0.638 -3.424 2.620) 4.358 9.109 ( -1.489 2.572 -2.629) 3.967 9.145 ( 0.707 -1.137 1.790) 2.235 9.268 ( -2.647 0.578 -0.389) 2.738 9.307 ( -3.311 -2.867 0.521) 4.411 9.468 ( 3.043 0.599 -2.891) 4.240 9.477 ( 3.231 -0.225 -3.095) 4.480 9.704 ( -1.801 4.917 4.701) 7.037 9.792 ( -0.551 -3.831 2.545) 4.632 9.932 ( -0.341 1.686 2.677) 3.182 9.976 ( 0.258 -2.928 2.859) 4.100 10.208 ( -0.121 5.423 1.202) 5.556 10.272 ( -0.880 2.231 3.541) 4.277 10.281 ( -1.468 0.143 -0.418) 1.534 10.344 ( -0.570 -2.042 2.764) 3.484 10.455 ( -1.395 5.448 -7.166) 9.109 10.518 ( 1.741 3.895 1.720) 4.600 10.593 ( 0.869 -4.976 2.763) 5.757 10.610 ( 1.315 -3.988 -2.425) 4.850 10.784 ( 1.991 4.421 -5.362) 7.229 10.893 ( 0.979 -4.452 -2.276) 5.095 11.056 ( -0.091 5.433 -1.681) 5.688 11.146 ( 0.485 -2.162 -2.048) 3.017 11.366 ( 3.296 0.678 6.287) 7.131 11.401 ( 3.783 -2.871 4.612) 6.620 11.578 ( -2.299 0.125 -0.012) 2.302 11.603 ( -0.901 -1.978 -0.292) 2.193 11.730 ( 8.798 -0.200 -0.072) 8.801 11.780 ( 5.232 -4.973 -0.880) 7.272 12.081 ( 2.563 4.160 -1.025) 4.992 12.095 ( 2.915 2.353 2.708) 4.623 12.387 ( 0.286 4.527 -8.482) 9.619 12.475 ( 1.576 -3.217 -8.271) 9.013 12.752 ( 8.220 3.804 5.302) 10.495 12.855 ( 9.416 -4.917 4.514) 11.542 13.008 ( -4.844 4.753 -1.803) 7.022 13.108 ( -5.336 -4.848 -2.556) 7.649 13.401 ( -4.581 2.947 -2.739) 6.097 13.468 ( -0.950 -2.775 -1.742) 3.411 13.712 ( 0.687 3.755 2.390) 4.504 13.783 ( -0.646 -0.531 -3.056) 3.168 13.856 ( -2.311 -2.170 4.274) 5.321 13.908 ( -5.351 -4.942 2.411) 7.673 14.276 ( -11.081 0.118 -0.690) 11.103 14.298 ( -10.421 -1.919 -0.595) 10.613 14.512 ( -10.313 3.554 1.051) 10.959 14.572 ( -8.595 -2.043 0.434) 8.845 14.919 ( -10.112 7.017 0.328) 12.312 15.039 ( -8.667 -3.980 -3.401) 10.125 15.185 ( -8.977 7.280 -1.679) 11.679 15.268 ( -6.735 -1.925 0.280) 7.010 15.379 ( -1.831 -0.234 7.442) 7.667 15.392 ( -3.025 -2.294 5.523) 6.702 15.507 ( 0.536 6.505 0.992) 6.602 15.677 ( -0.883 -8.370 -1.718) 8.590 15.817 ( -1.472 0.565 -3.808) 4.121 15.879 ( -0.587 -3.977 -0.447) 4.045 16.208 ( 2.791 1.697 -1.370) 3.542 16.265 ( 4.546 -3.492 -1.616) 5.956 16.450 ( -2.506 6.426 4.425) 8.195 16.545 ( 0.766 -2.293 3.240) 4.043 16.798 ( -3.444 2.138 -0.765) 4.125 16.838 ( -3.106 -1.438 -3.479) 4.881 17.349 ( 0.916 2.661 -0.331) 2.833 17.404 ( 0.959 -2.707 0.745) 2.967 17.607 ( -1.802 2.480 -1.370) 3.358 17.658 ( -1.601 -2.566 -2.906) 4.195 18.958 ( 10.504 1.112 0.342) 10.568 18.973 ( 10.628 -0.191 -1.156) 10.692 19.056 ( 8.491 -0.480 0.293) 8.509 19.064 ( 8.605 -1.168 -0.191) 8.686 25.122 ( -1.240 7.653 2.554) 8.162 25.179 ( -1.947 6.394 -3.162) 7.394 25.309 ( -4.914 -10.537 3.017) 12.012 25.360 ( -5.902 -11.163 -3.551) 13.116 26.916 ( -1.133 2.608 -0.189) 2.850 26.952 ( -1.710 -0.285 -1.022) 2.013 26.970 ( 0.524 1.230 -1.317) 1.877 27.005 ( -0.296 -1.655 1.235) 2.086 28.030 ( -3.006 11.345 -0.003) 11.737 28.086 ( -2.933 10.854 -1.629) 11.360 28.181 ( -3.810 -3.252 -0.004) 5.009 28.214 ( -4.256 -1.811 -0.503) 4.653 28.659 ( -1.032 2.923 8.970) 9.490 28.738 ( -2.124 -3.742 7.558) 8.697 28.848 ( -2.427 2.096 -4.555) 5.571 28.931 ( -4.635 -4.464 -0.721) 6.475 29.086 ( -7.179 5.766 -1.014) 9.264 29.169 ( -8.256 -1.659 -3.569) 9.146 29.532 ( 7.453 -1.242 -2.571) 7.982 29.573 ( 7.152 -4.887 -3.088) 9.197 29.917 ( 5.104 2.372 1.010) 5.718 29.938 ( 3.768 0.231 -5.606) 6.758 30.182 ( 4.896 -0.075 0.167) 4.900 30.218 ( 7.058 -3.602 3.475) 8.653 30.606 ( -1.455 2.259 -1.836) 3.255 30.672 ( -6.887 -2.227 -2.126) 7.544 30.721 ( 11.920 1.700 3.530) 12.548 30.811 ( 7.047 -5.205 5.489) 10.339 ======================= Grid point 90 (54/54) ======================= q-point: (-0.14 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -10.394 9.129 17.331) 22.175 1.956 ( -6.058 7.460 7.218) 12.019 2.076 ( -7.599 4.904 3.886) 9.843 2.369 ( -8.597 -15.101 2.882) 17.613 2.808 ( -11.859 6.020 -12.697) 18.388 2.860 ( -6.890 0.604 -0.778) 6.960 2.910 ( -2.046 5.739 -6.957) 9.248 2.991 ( -4.676 -5.125 -1.913) 7.197 3.031 ( -0.864 2.371 -2.753) 3.735 3.143 ( 2.173 -2.630 0.832) 3.511 3.346 ( 0.107 3.350 -0.411) 3.377 3.391 ( 7.910 -0.776 3.326) 8.616 3.702 ( 0.826 6.806 6.965) 9.773 3.718 ( -3.371 11.887 4.923) 13.300 3.811 ( 2.267 3.389 4.762) 6.269 3.944 ( -1.192 3.584 4.315) 5.735 3.957 ( -1.253 6.512 -1.454) 6.789 4.007 ( -3.500 -3.338 5.136) 7.055 4.050 ( -3.370 -0.681 -1.549) 3.771 4.106 ( -6.010 -0.307 1.338) 6.164 4.273 ( 0.577 6.875 0.601) 6.925 4.395 ( -1.604 5.051 -6.379) 8.293 4.431 ( 4.161 -3.600 -2.238) 5.940 4.491 ( -4.665 0.422 -0.470) 4.708 4.532 ( -2.637 3.491 -1.434) 4.604 4.574 ( 0.796 -2.073 2.578) 3.402 4.682 ( -2.977 -1.597 0.460) 3.409 4.728 ( -3.128 -3.079 4.040) 5.966 4.786 ( -1.938 -0.545 3.004) 3.616 4.825 ( 1.281 -3.732 -3.322) 5.158 4.875 ( -0.338 1.427 -0.958) 1.752 4.955 ( -4.298 -3.870 -1.382) 5.946 5.013 ( -5.725 3.322 5.034) 8.315 5.066 ( -2.620 3.372 -1.532) 4.537 5.106 ( -3.521 -1.769 2.645) 4.746 5.134 ( -3.970 -3.876 3.057) 6.335 5.256 ( -7.982 3.498 -2.126) 8.970 5.302 ( -4.201 0.609 -5.147) 6.672 5.363 ( -3.696 1.423 -3.346) 5.185 5.490 ( -4.964 -2.727 -8.988) 10.624 5.533 ( 1.807 -2.735 0.847) 3.385 5.563 ( 2.596 -4.746 -2.113) 5.808 5.604 ( -0.200 3.570 0.414) 3.599 5.693 ( -4.561 -5.263 -0.188) 6.967 5.848 ( 1.737 2.525 -2.003) 3.661 5.933 ( 2.156 1.295 -6.436) 6.910 5.983 ( -0.359 0.457 -1.098) 1.243 6.037 ( 0.736 0.915 -1.659) 2.032 6.171 ( 6.524 4.860 -1.182) 8.221 6.251 ( 3.221 -0.740 1.710) 3.721 6.417 ( 4.703 -1.806 3.175) 5.955 6.481 ( 5.638 0.375 -0.758) 5.701 6.524 ( 2.489 -6.522 -3.261) 7.705 6.617 ( 3.308 0.216 0.085) 3.316 6.649 ( 4.152 -4.676 -0.160) 6.256 6.697 ( 4.183 0.754 2.761) 5.069 6.993 ( -0.973 4.650 -0.504) 4.777 6.996 ( 0.699 -1.919 2.487) 3.218 7.032 ( 7.307 -3.595 1.778) 8.335 7.080 ( 6.816 0.103 -0.977) 6.886 7.262 ( 0.429 -3.657 3.724) 5.237 7.273 ( 0.301 -3.744 3.429) 5.086 7.356 ( 0.430 2.848 1.367) 3.189 7.422 ( 3.000 -1.718 2.964) 4.553 7.509 ( -5.526 -0.701 -8.109) 9.837 7.583 ( -3.765 -6.112 -4.801) 8.636 7.682 ( 1.002 2.479 -1.385) 3.011 7.726 ( 0.689 -1.831 -3.690) 4.176 7.916 ( 1.906 5.554 3.353) 6.762 7.971 ( 8.320 -0.498 2.321) 8.652 8.045 ( 1.612 3.243 -1.038) 3.768 8.126 ( 1.345 -2.019 -2.849) 3.742 8.191 ( 3.593 -0.191 3.902) 5.308 8.216 ( 4.025 -2.220 2.381) 5.177 8.436 ( 3.974 3.215 -0.700) 5.159 8.487 ( 0.584 -0.858 3.820) 3.958 8.639 ( 1.003 0.086 -0.931) 1.371 8.705 ( -2.702 -5.257 -1.830) 6.188 8.756 ( 1.780 1.645 -1.675) 2.946 8.796 ( 1.887 -1.265 -1.027) 2.493 8.943 ( 3.081 1.159 1.786) 3.745 8.999 ( 1.561 -3.865 3.783) 5.629 9.108 ( 0.504 5.201 -2.171) 5.659 9.210 ( -4.418 -3.172 -2.232) 5.878 9.224 ( 4.358 -1.383 3.503) 5.760 9.240 ( 2.584 -2.588 2.728) 4.563 9.500 ( -0.944 1.184 -0.917) 1.770 9.522 ( 0.345 -0.785 -4.061) 4.151 9.680 ( -0.659 3.613 0.937) 3.790 9.749 ( -4.733 -4.228 1.021) 6.428 9.934 ( 1.409 1.749 4.357) 4.902 9.998 ( 3.159 -4.211 3.743) 6.459 10.189 ( -4.287 2.510 -1.834) 5.296 10.229 ( -1.654 -0.652 1.963) 2.649 10.283 ( 1.105 2.355 0.455) 2.641 10.304 ( -0.588 0.269 1.806) 1.918 10.477 ( 4.294 8.058 -1.802) 9.307 10.524 ( -2.217 6.225 0.368) 6.619 10.587 ( -2.208 -3.138 5.570) 6.763 10.648 ( 1.188 -2.836 -5.671) 6.451 10.846 ( 2.421 3.656 -4.450) 6.247 10.958 ( 2.716 -3.965 -4.193) 6.378 11.094 ( 4.479 3.207 1.814) 5.799 11.172 ( 2.820 -3.794 2.081) 5.165 11.400 ( 2.194 1.524 -0.556) 2.729 11.435 ( 1.494 -1.666 -2.313) 3.218 11.646 ( 7.650 0.207 1.230) 7.751 11.676 ( 6.400 -2.452 2.296) 7.228 11.870 ( 4.814 -1.527 1.322) 5.221 11.900 ( 5.424 -4.255 -0.439) 6.908 12.126 ( 1.898 2.569 0.997) 3.347 12.141 ( 2.452 1.395 1.371) 3.137 12.388 ( 0.061 3.137 -6.757) 7.450 12.462 ( -1.952 -4.401 -8.589) 9.846 12.893 ( -7.294 1.748 -1.602) 7.669 12.910 ( 0.431 2.423 4.225) 4.890 12.988 ( -0.676 -1.762 -3.307) 3.808 13.034 ( 6.878 -4.201 4.179) 9.078 13.286 ( -4.028 5.370 -2.242) 7.077 13.381 ( -4.679 -4.082 -1.675) 6.432 13.638 ( -9.657 4.868 -0.913) 10.852 13.715 ( -9.085 0.830 4.023) 9.970 13.787 ( 0.794 -0.785 -0.367) 1.175 13.883 ( -1.411 -6.045 1.529) 6.393 14.104 ( -4.543 1.664 2.573) 5.480 14.156 ( -2.841 -3.162 2.454) 4.908 14.335 ( -6.897 4.650 -0.966) 8.374 14.417 ( -6.411 -2.872 -0.143) 7.026 14.699 ( -10.262 9.775 0.639) 14.187 14.815 ( -12.564 0.485 -6.347) 14.085 15.089 ( 0.009 2.081 -0.334) 2.108 15.147 ( -3.418 -2.972 2.202) 5.037 15.313 ( -3.925 0.903 3.932) 5.629 15.345 ( -3.068 -1.583 5.728) 6.688 15.554 ( 2.706 3.298 0.521) 4.298 15.668 ( 0.174 -4.394 0.029) 4.397 15.747 ( -4.518 -1.551 -5.014) 6.926 15.817 ( -4.597 -5.189 -1.660) 7.129 16.277 ( 3.945 4.157 -0.276) 5.738 16.372 ( 5.157 -5.163 0.595) 7.322 16.406 ( -1.494 8.250 1.972) 8.613 16.549 ( -1.072 -5.651 2.071) 6.113 16.743 ( -1.733 2.853 -0.909) 3.460 16.785 ( -2.247 -1.148 -2.587) 3.613 17.385 ( 2.641 2.129 -0.248) 3.401 17.425 ( 1.180 -1.762 0.506) 2.180 17.551 ( -3.432 1.766 -0.714) 3.925 17.593 ( -4.492 -2.460 -2.281) 5.606 19.158 ( 8.362 1.531 1.771) 8.683 19.186 ( 9.634 -0.538 -0.025) 9.649 19.213 ( 6.596 -0.315 -0.418) 6.617 19.231 ( 7.639 -1.414 -0.999) 7.833 25.102 ( -0.709 4.678 1.660) 5.014 25.141 ( -1.247 4.011 -2.169) 4.728 25.205 ( -5.327 -5.517 1.651) 7.845 25.239 ( -5.524 -5.498 -1.749) 7.988 26.897 ( -0.686 1.619 0.242) 1.775 26.921 ( -1.384 -0.444 -0.508) 1.539 26.982 ( 0.709 -0.084 -1.791) 1.928 26.995 ( -0.693 -1.258 0.434) 1.501 27.979 ( -1.778 9.396 -0.677) 9.586 28.023 ( -3.398 8.948 -0.412) 9.580 28.107 ( -2.719 -3.453 -1.628) 4.687 28.133 ( -3.825 -2.250 0.943) 4.537 28.639 ( -1.312 2.389 10.075) 10.437 28.689 ( -2.817 -1.635 8.661) 9.254 28.801 ( -2.018 1.109 -3.602) 4.275 28.853 ( -3.129 -2.993 -4.558) 6.287 28.994 ( -1.948 5.580 -1.961) 6.227 29.046 ( -3.964 0.336 -3.575) 5.348 29.656 ( 4.774 -1.184 -2.908) 5.714 29.688 ( 4.559 -4.402 -3.286) 7.138 30.040 ( 6.501 0.279 -2.629) 7.018 30.051 ( 7.108 -0.745 -2.322) 7.515 30.246 ( 2.563 1.777 0.565) 3.169 30.286 ( 0.516 -2.008 -0.737) 2.201 30.500 ( -8.399 -0.054 -0.579) 8.419 30.521 ( -6.809 -2.271 -0.845) 7.227 30.986 ( 12.304 -0.995 5.213) 13.400 31.009 ( 10.100 -2.926 6.097) 12.155 =================== 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 3/31500 10.0 1546.591 1145.492 1578.877 0.000 134.304 0.000 3/31500 20.0 302.683 295.749 326.909 0.000 29.922 0.000 3/31500 30.0 96.151 86.796 90.874 0.000 10.323 0.000 3/31500 40.0 44.611 39.074 39.555 0.000 4.748 0.000 3/31500 50.0 26.033 22.354 22.246 0.000 2.686 0.000 3/31500 60.0 17.514 14.816 14.610 0.000 1.747 0.000 3/31500 70.0 12.912 10.797 10.591 0.000 1.251 0.000 3/31500 80.0 10.125 8.389 8.205 0.000 0.957 0.000 3/31500 90.0 8.293 6.820 6.658 0.000 0.769 0.000 3/31500 100.0 7.011 5.731 5.589 0.000 0.640 0.000 3/31500 110.0 6.072 4.937 4.813 0.000 0.547 0.000 3/31500 120.0 5.358 4.336 4.226 0.000 0.478 0.000 3/31500 130.0 4.799 3.867 3.768 0.000 0.425 0.000 3/31500 140.0 4.350 3.492 3.402 0.000 0.382 0.000 3/31500 150.0 3.981 3.185 3.103 0.000 0.348 0.000 3/31500 160.0 3.674 2.930 2.854 0.000 0.319 0.000 3/31500 170.0 3.414 2.714 2.644 0.000 0.295 0.000 3/31500 180.0 3.191 2.530 2.464 0.000 0.274 0.000 3/31500 190.0 2.997 2.370 2.309 0.000 0.257 0.000 3/31500 200.0 2.827 2.231 2.173 0.000 0.241 0.000 3/31500 210.0 2.678 2.108 2.053 0.000 0.228 0.000 3/31500 220.0 2.544 1.999 1.947 0.000 0.216 0.000 3/31500 230.0 2.425 1.902 1.851 0.000 0.205 0.000 3/31500 240.0 2.317 1.814 1.766 0.000 0.195 0.000 3/31500 250.0 2.219 1.735 1.689 0.000 0.187 0.000 3/31500 260.0 2.130 1.663 1.618 0.000 0.179 0.000 3/31500 270.0 2.048 1.597 1.554 0.000 0.172 0.000 3/31500 280.0 1.973 1.537 1.495 0.000 0.165 0.000 3/31500 290.0 1.904 1.482 1.441 0.000 0.159 0.000 3/31500 300.0 1.839 1.430 1.391 0.000 0.153 0.000 3/31500 310.0 1.780 1.383 1.344 0.000 0.148 0.000 3/31500 320.0 1.724 1.339 1.301 0.000 0.143 0.000 3/31500 330.0 1.672 1.297 1.261 0.000 0.139 0.000 3/31500 340.0 1.623 1.259 1.223 0.000 0.135 0.000 3/31500 350.0 1.578 1.222 1.188 0.000 0.131 0.000 3/31500 360.0 1.534 1.188 1.155 0.000 0.127 0.000 3/31500 370.0 1.494 1.156 1.124 0.000 0.123 0.000 3/31500 380.0 1.455 1.126 1.094 0.000 0.120 0.000 3/31500 390.0 1.419 1.097 1.066 0.000 0.117 0.000 3/31500 400.0 1.384 1.070 1.040 0.000 0.114 0.000 3/31500 410.0 1.352 1.045 1.015 0.000 0.111 0.000 3/31500 420.0 1.320 1.020 0.991 0.000 0.109 0.000 3/31500 430.0 1.291 0.997 0.968 0.000 0.106 0.000 3/31500 440.0 1.262 0.975 0.947 0.000 0.104 0.000 3/31500 450.0 1.235 0.953 0.926 0.000 0.101 0.000 3/31500 460.0 1.209 0.933 0.907 0.000 0.099 0.000 3/31500 470.0 1.184 0.914 0.888 0.000 0.097 0.000 3/31500 480.0 1.161 0.895 0.870 0.000 0.095 0.000 3/31500 490.0 1.138 0.877 0.853 0.000 0.093 0.000 3/31500 500.0 1.116 0.860 0.836 0.000 0.091 0.000 3/31500 510.0 1.095 0.844 0.820 0.000 0.090 0.000 3/31500 520.0 1.075 0.828 0.805 0.000 0.088 0.000 3/31500 530.0 1.055 0.813 0.790 0.000 0.086 0.000 3/31500 540.0 1.036 0.798 0.776 0.000 0.085 0.000 3/31500 550.0 1.018 0.784 0.762 0.000 0.083 0.000 3/31500 560.0 1.001 0.771 0.749 0.000 0.082 0.000 3/31500 570.0 0.984 0.757 0.736 0.000 0.080 0.000 3/31500 580.0 0.967 0.745 0.724 0.000 0.079 0.000 3/31500 590.0 0.952 0.733 0.712 0.000 0.078 0.000 3/31500 600.0 0.936 0.721 0.701 0.000 0.077 0.000 3/31500 610.0 0.922 0.709 0.690 0.000 0.075 0.000 3/31500 620.0 0.907 0.698 0.679 0.000 0.074 0.000 3/31500 630.0 0.893 0.687 0.668 0.000 0.073 0.000 3/31500 640.0 0.880 0.677 0.658 0.000 0.072 0.000 3/31500 650.0 0.867 0.667 0.649 0.000 0.071 0.000 3/31500 660.0 0.854 0.657 0.639 0.000 0.070 0.000 3/31500 670.0 0.842 0.647 0.630 0.000 0.069 0.000 3/31500 680.0 0.830 0.638 0.621 0.000 0.068 0.000 3/31500 690.0 0.818 0.629 0.612 0.000 0.067 0.000 3/31500 700.0 0.807 0.621 0.604 0.000 0.066 0.000 3/31500 710.0 0.796 0.612 0.595 0.000 0.065 0.000 3/31500 720.0 0.785 0.604 0.587 0.000 0.064 0.000 3/31500 730.0 0.775 0.596 0.580 0.000 0.063 0.000 3/31500 740.0 0.765 0.588 0.572 0.000 0.062 0.000 3/31500 750.0 0.755 0.580 0.565 0.000 0.062 0.000 3/31500 760.0 0.745 0.573 0.557 0.000 0.061 0.000 3/31500 770.0 0.736 0.566 0.550 0.000 0.060 0.000 3/31500 780.0 0.727 0.558 0.544 0.000 0.059 0.000 3/31500 790.0 0.718 0.552 0.537 0.000 0.059 0.000 3/31500 800.0 0.709 0.545 0.530 0.000 0.058 0.000 3/31500 810.0 0.701 0.538 0.524 0.000 0.057 0.000 3/31500 820.0 0.692 0.532 0.518 0.000 0.056 0.000 3/31500 830.0 0.684 0.526 0.512 0.000 0.056 0.000 3/31500 840.0 0.676 0.520 0.506 0.000 0.055 0.000 3/31500 850.0 0.669 0.514 0.500 0.000 0.054 0.000 3/31500 860.0 0.661 0.508 0.494 0.000 0.054 0.000 3/31500 870.0 0.654 0.502 0.489 0.000 0.053 0.000 3/31500 880.0 0.647 0.496 0.484 0.000 0.053 0.000 3/31500 890.0 0.639 0.491 0.478 0.000 0.052 0.000 3/31500 900.0 0.633 0.486 0.473 0.000 0.052 0.000 3/31500 910.0 0.626 0.480 0.468 0.000 0.051 0.000 3/31500 920.0 0.619 0.475 0.463 0.000 0.050 0.000 3/31500 930.0 0.613 0.470 0.458 0.000 0.050 0.000 3/31500 940.0 0.606 0.465 0.453 0.000 0.049 0.000 3/31500 950.0 0.600 0.461 0.449 0.000 0.049 0.000 3/31500 960.0 0.594 0.456 0.444 0.000 0.048 0.000 3/31500 970.0 0.588 0.451 0.440 0.000 0.048 0.000 3/31500 980.0 0.582 0.447 0.435 0.000 0.047 0.000 3/31500 990.0 0.576 0.442 0.431 0.000 0.047 0.000 3/31500 1000.0 0.571 0.438 0.427 0.000 0.046 0.000 3/31500 Thermal conductivity related properties were written into "kappa-m755.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:02:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|