----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 02:55:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877963140000014 -3.345005619999999 0.000000000000000 b 5.877963140000014 3.345005619999999 0.000000000000000 c -3.733434581736243 0.000000000000000 12.222287325936874 Atomic positions (fractional): *1 Er 0.68884384771337 0.69467452292048 0.04764199640863 167.259 2 Er 0.69467452292048 0.68884384771337 0.54764199640863 167.259 3 Er 0.30532547707952 0.31115615228663 0.45235800359137 167.259 4 Er 0.31115615228663 0.30532547707952 0.95235800359137 167.259 *5 P 0.83018269568662 0.14633175562225 0.13286888610522 30.974 *6 P 0.75084595751562 0.77217881179899 0.33771219341180 30.974 7 P 0.85366824437775 0.16981730431338 0.36713111389478 30.974 8 P 0.22782118820101 0.24915404248438 0.16228780658820 30.974 9 P 0.77217881179899 0.75084595751562 0.83771219341181 30.974 10 P 0.14633175562226 0.83018269568662 0.63286888610522 30.974 11 P 0.24915404248438 0.22782118820101 0.66228780658819 30.974 12 P 0.16981730431338 0.85366824437775 0.86713111389478 30.974 *13 O 0.66257105601273 0.32299909237412 0.05592738300702 15.999 *14 O 0.87222436292561 0.90184725604695 0.10111274192131 15.999 *15 O 0.88125750550056 0.91758500832024 0.34501874621015 15.999 16 O 0.90184725604695 0.87222436292561 0.60111274192131 15.999 *17 O 0.92185854450542 0.57345398710679 0.40369507709827 15.999 18 O 0.91758500832024 0.88125750550056 0.84501874621015 15.999 *19 O 0.68727148620718 0.69882594621033 0.21844629149892 15.999 20 O 0.42654601289321 0.07814145549458 0.09630492290173 15.999 21 O 0.32299909237412 0.66257105601273 0.55592738300702 15.999 *22 O 0.54931284190211 0.92097721744382 0.40396518131912 15.999 23 O 0.30117405378967 0.31272851379282 0.28155370850107 15.999 24 O 0.92097721744382 0.54931284190211 0.90396518131912 15.999 *25 O 0.74260990592409 0.25739009407591 0.25000000000000 15.999 26 O 0.07902278255618 0.45068715809789 0.09603481868088 15.999 27 O 0.69882594621033 0.68727148620718 0.71844629149893 15.999 28 O 0.45068715809789 0.07902278255618 0.59603481868088 15.999 29 O 0.67700090762588 0.33742894398727 0.44407261699298 15.999 30 O 0.57345398710679 0.92185854450542 0.90369507709827 15.999 31 O 0.31272851379282 0.30117405378967 0.78155370850107 15.999 32 O 0.08241499167976 0.11874249449944 0.15498125378985 15.999 33 O 0.07814145549458 0.42654601289321 0.59630492290173 15.999 34 O 0.09815274395305 0.12777563707439 0.39888725807869 15.999 35 O 0.11874249449944 0.08241499167976 0.65498125378985 15.999 36 O 0.25739009407591 0.74260990592409 0.75000000000000 15.999 37 O 0.12777563707439 0.09815274395305 0.89888725807869 15.999 38 O 0.33742894398727 0.67700090762588 0.94407261699298 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.755926280000027 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690011239999998 0.000000000000000 c -3.733434581736243 0.000000000000000 12.222287325936874 Atomic positions (fractional): *1 Er 0.19175918531693 0.50291533760356 0.04764199640863 167.259 > 1 2 Er 0.19175918531693 0.49708466239644 0.54764199640863 167.259 > 2 3 Er 0.30824081468307 0.00291533760356 0.45235800359137 167.259 > 3 4 Er 0.30824081468307 0.99708466239644 0.95235800359137 167.259 > 4 5 Er 0.69175918531693 0.00291533760356 0.04764199640863 167.259 > 1 6 Er 0.69175918531693 0.99708466239644 0.54764199640863 167.259 > 2 7 Er 0.80824081468307 0.50291533760356 0.45235800359137 167.259 > 3 8 Er 0.80824081468307 0.49708466239644 0.95235800359137 167.259 > 4 *9 P 0.48825722565444 0.65807452996782 0.13286888610522 30.974 > 5 *10 P 0.26151238465730 0.51066642714168 0.33771219341180 30.974 > 6 11 P 0.01174277434556 0.15807452996782 0.36713111389478 30.974 > 7 12 P 0.23848761534269 0.01066642714168 0.16228780658820 30.974 > 8 13 P 0.26151238465730 0.48933357285832 0.83771219341181 30.974 > 9 14 P 0.48825722565444 0.34192547003218 0.63286888610522 30.974 > 10 15 P 0.23848761534269 0.98933357285832 0.66228780658819 30.974 > 11 16 P 0.01174277434556 0.84192547003218 0.86713111389478 30.974 > 12 17 P 0.98825722565444 0.15807452996782 0.13286888610522 30.974 > 5 18 P 0.76151238465731 0.01066642714168 0.33771219341180 30.974 > 6 19 P 0.51174277434556 0.65807452996782 0.36713111389478 30.974 > 7 20 P 0.73848761534269 0.51066642714168 0.16228780658820 30.974 > 8 21 P 0.76151238465731 0.98933357285832 0.83771219341181 30.974 > 9 22 P 0.98825722565444 0.84192547003218 0.63286888610522 30.974 > 10 23 P 0.73848761534269 0.48933357285832 0.66228780658819 30.974 > 11 24 P 0.51174277434556 0.34192547003218 0.86713111389478 30.974 > 12 *25 O 0.49278507419343 0.83021401818069 0.05592738300702 15.999 > 13 *26 O 0.38703580948628 0.51481144656067 0.10111274192131 15.999 > 14 *27 O 0.39942125691040 0.51816375140984 0.34501874621015 15.999 > 15 28 O 0.38703580948628 0.48518855343933 0.60111274192131 15.999 > 16 *29 O 0.24765626580611 0.32579772130068 0.40369507709827 15.999 > 17 30 O 0.39942125691040 0.48183624859016 0.84501874621015 15.999 > 18 *31 O 0.19304871620875 0.50577723000158 0.21844629149892 15.999 > 19 32 O 0.25234373419389 0.82579772130068 0.09630492290173 15.999 > 20 33 O 0.49278507419343 0.16978598181930 0.55592738300702 15.999 > 21 *34 O 0.23514502967296 0.68583218777085 0.40396518131912 15.999 > 22 35 O 0.30695128379125 0.00577723000158 0.28155370850107 15.999 > 23 36 O 0.23514502967296 0.31416781222915 0.90396518131912 15.999 > 24 *37 O 0.00000000000000 0.25739009407591 0.25000000000000 15.999 > 25 38 O 0.26485497032703 0.18583218777085 0.09603481868088 15.999 > 26 39 O 0.19304871620875 0.49422276999842 0.71844629149893 15.999 > 27 40 O 0.26485497032703 0.81416781222915 0.59603481868088 15.999 > 28 41 O 0.00721492580657 0.33021401818070 0.44407261699298 15.999 > 29 42 O 0.24765626580611 0.67420227869932 0.90369507709827 15.999 > 30 43 O 0.30695128379125 0.99422276999842 0.78155370850107 15.999 > 31 44 O 0.10057874308960 0.01816375140984 0.15498125378985 15.999 > 32 45 O 0.25234373419389 0.17420227869932 0.59630492290173 15.999 > 33 46 O 0.11296419051372 0.01481144656067 0.39888725807869 15.999 > 34 47 O 0.10057874308960 0.98183624859016 0.65498125378985 15.999 > 35 48 O 0.00000000000000 0.74260990592409 0.75000000000000 15.999 > 36 49 O 0.11296419051372 0.98518855343933 0.89888725807869 15.999 > 37 50 O 0.00721492580657 0.66978598181931 0.94407261699298 15.999 > 38 51 O 0.99278507419343 0.33021401818070 0.05592738300702 15.999 > 13 52 O 0.88703580948628 0.01481144656067 0.10111274192131 15.999 > 14 53 O 0.89942125691040 0.01816375140984 0.34501874621015 15.999 > 15 54 O 0.88703580948628 0.98518855343933 0.60111274192131 15.999 > 16 55 O 0.74765626580611 0.82579772130068 0.40369507709827 15.999 > 17 56 O 0.89942125691040 0.98183624859016 0.84501874621015 15.999 > 18 57 O 0.69304871620875 0.00577723000158 0.21844629149892 15.999 > 19 58 O 0.75234373419389 0.32579772130068 0.09630492290173 15.999 > 20 59 O 0.99278507419343 0.66978598181931 0.55592738300702 15.999 > 21 60 O 0.73514502967297 0.18583218777085 0.40396518131912 15.999 > 22 61 O 0.80695128379125 0.50577723000158 0.28155370850107 15.999 > 23 62 O 0.73514502967297 0.81416781222915 0.90396518131912 15.999 > 24 63 O 0.50000000000000 0.75739009407591 0.25000000000000 15.999 > 25 64 O 0.76485497032703 0.68583218777085 0.09603481868088 15.999 > 26 65 O 0.69304871620875 0.99422276999842 0.71844629149893 15.999 > 27 66 O 0.76485497032703 0.31416781222915 0.59603481868088 15.999 > 28 67 O 0.50721492580657 0.83021401818069 0.44407261699298 15.999 > 29 68 O 0.74765626580611 0.17420227869932 0.90369507709827 15.999 > 30 69 O 0.80695128379125 0.49422276999842 0.78155370850107 15.999 > 31 70 O 0.60057874308960 0.51816375140984 0.15498125378985 15.999 > 32 71 O 0.75234373419389 0.67420227869932 0.59630492290173 15.999 > 33 72 O 0.61296419051372 0.51481144656067 0.39888725807869 15.999 > 34 73 O 0.60057874308960 0.48183624859016 0.65498125378985 15.999 > 35 74 O 0.50000000000000 0.24260990592409 0.75000000000000 15.999 > 36 75 O 0.61296419051372 0.48518855343933 0.89888725807869 15.999 > 37 76 O 0.50721492580657 0.16978598181930 0.94407261699298 15.999 > 38 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.755926280000027 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690011239999998 0.000000000000000 c -3.733434581736243 0.000000000000000 12.222287325936874 Atomic positions (fractional): *1 Er 0.19175918531693 0.50291533760356 0.04764199640863 167.259 > 1 2 Er 0.19175918531693 0.49708466239644 0.54764199640863 167.259 > 2 3 Er 0.30824081468307 0.00291533760356 0.45235800359137 167.259 > 3 4 Er 0.30824081468307 0.99708466239644 0.95235800359137 167.259 > 4 5 Er 0.69175918531693 0.00291533760356 0.04764199640863 167.259 > 1 6 Er 0.69175918531693 0.99708466239644 0.54764199640863 167.259 > 2 7 Er 0.80824081468307 0.50291533760356 0.45235800359137 167.259 > 3 8 Er 0.80824081468307 0.49708466239644 0.95235800359137 167.259 > 4 *9 P 0.48825722565444 0.65807452996782 0.13286888610522 30.974 > 5 *10 P 0.26151238465730 0.51066642714168 0.33771219341180 30.974 > 6 11 P 0.01174277434556 0.15807452996782 0.36713111389478 30.974 > 7 12 P 0.23848761534269 0.01066642714168 0.16228780658820 30.974 > 8 13 P 0.26151238465730 0.48933357285832 0.83771219341181 30.974 > 9 14 P 0.48825722565444 0.34192547003218 0.63286888610522 30.974 > 10 15 P 0.23848761534269 0.98933357285832 0.66228780658819 30.974 > 11 16 P 0.01174277434556 0.84192547003218 0.86713111389478 30.974 > 12 17 P 0.98825722565444 0.15807452996782 0.13286888610522 30.974 > 5 18 P 0.76151238465731 0.01066642714168 0.33771219341180 30.974 > 6 19 P 0.51174277434556 0.65807452996782 0.36713111389478 30.974 > 7 20 P 0.73848761534269 0.51066642714168 0.16228780658820 30.974 > 8 21 P 0.76151238465731 0.98933357285832 0.83771219341181 30.974 > 9 22 P 0.98825722565444 0.84192547003218 0.63286888610522 30.974 > 10 23 P 0.73848761534269 0.48933357285832 0.66228780658819 30.974 > 11 24 P 0.51174277434556 0.34192547003218 0.86713111389478 30.974 > 12 *25 O 0.49278507419343 0.83021401818069 0.05592738300702 15.999 > 13 *26 O 0.38703580948628 0.51481144656067 0.10111274192131 15.999 > 14 *27 O 0.39942125691040 0.51816375140984 0.34501874621015 15.999 > 15 28 O 0.38703580948628 0.48518855343933 0.60111274192131 15.999 > 16 *29 O 0.24765626580611 0.32579772130068 0.40369507709827 15.999 > 17 30 O 0.39942125691040 0.48183624859016 0.84501874621015 15.999 > 18 *31 O 0.19304871620875 0.50577723000158 0.21844629149892 15.999 > 19 32 O 0.25234373419389 0.82579772130068 0.09630492290173 15.999 > 20 33 O 0.49278507419343 0.16978598181930 0.55592738300702 15.999 > 21 *34 O 0.23514502967296 0.68583218777085 0.40396518131912 15.999 > 22 35 O 0.30695128379125 0.00577723000158 0.28155370850107 15.999 > 23 36 O 0.23514502967296 0.31416781222915 0.90396518131912 15.999 > 24 *37 O 0.00000000000000 0.25739009407591 0.25000000000000 15.999 > 25 38 O 0.26485497032703 0.18583218777085 0.09603481868088 15.999 > 26 39 O 0.19304871620875 0.49422276999842 0.71844629149893 15.999 > 27 40 O 0.26485497032703 0.81416781222915 0.59603481868088 15.999 > 28 41 O 0.00721492580657 0.33021401818070 0.44407261699298 15.999 > 29 42 O 0.24765626580611 0.67420227869932 0.90369507709827 15.999 > 30 43 O 0.30695128379125 0.99422276999842 0.78155370850107 15.999 > 31 44 O 0.10057874308960 0.01816375140984 0.15498125378985 15.999 > 32 45 O 0.25234373419389 0.17420227869932 0.59630492290173 15.999 > 33 46 O 0.11296419051372 0.01481144656067 0.39888725807869 15.999 > 34 47 O 0.10057874308960 0.98183624859016 0.65498125378985 15.999 > 35 48 O 0.00000000000000 0.74260990592409 0.75000000000000 15.999 > 36 49 O 0.11296419051372 0.98518855343933 0.89888725807869 15.999 > 37 50 O 0.00721492580657 0.66978598181931 0.94407261699298 15.999 > 38 51 O 0.99278507419343 0.33021401818070 0.05592738300702 15.999 > 13 52 O 0.88703580948628 0.01481144656067 0.10111274192131 15.999 > 14 53 O 0.89942125691040 0.01816375140984 0.34501874621015 15.999 > 15 54 O 0.88703580948628 0.98518855343933 0.60111274192131 15.999 > 16 55 O 0.74765626580611 0.82579772130068 0.40369507709827 15.999 > 17 56 O 0.89942125691040 0.98183624859016 0.84501874621015 15.999 > 18 57 O 0.69304871620875 0.00577723000158 0.21844629149892 15.999 > 19 58 O 0.75234373419389 0.32579772130068 0.09630492290173 15.999 > 20 59 O 0.99278507419343 0.66978598181931 0.55592738300702 15.999 > 21 60 O 0.73514502967297 0.18583218777085 0.40396518131912 15.999 > 22 61 O 0.80695128379125 0.50577723000158 0.28155370850107 15.999 > 23 62 O 0.73514502967297 0.81416781222915 0.90396518131912 15.999 > 24 63 O 0.50000000000000 0.75739009407591 0.25000000000000 15.999 > 25 64 O 0.76485497032703 0.68583218777085 0.09603481868088 15.999 > 26 65 O 0.69304871620875 0.99422276999842 0.71844629149893 15.999 > 27 66 O 0.76485497032703 0.31416781222915 0.59603481868088 15.999 > 28 67 O 0.50721492580657 0.83021401818069 0.44407261699298 15.999 > 29 68 O 0.74765626580611 0.17420227869932 0.90369507709827 15.999 > 30 69 O 0.80695128379125 0.49422276999842 0.78155370850107 15.999 > 31 70 O 0.60057874308960 0.51816375140984 0.15498125378985 15.999 > 32 71 O 0.75234373419389 0.67420227869932 0.59630492290173 15.999 > 33 72 O 0.61296419051372 0.51481144656067 0.39888725807869 15.999 > 34 73 O 0.60057874308960 0.48183624859016 0.65498125378985 15.999 > 35 74 O 0.50000000000000 0.24260990592409 0.75000000000000 15.999 > 36 75 O 0.61296419051372 0.48518855343933 0.89888725807869 15.999 > 37 76 O 0.50721492580657 0.16978598181930 0.94407261699298 15.999 > 38 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9073792 0.0000000 -0.0553207 0.0000000 2.8404021 0.0000000 -0.0553223 0.0000000 3.0236469 -------------------------- Born effective charges -------------------------- 1 Er 3.8046648 0.0767438 -0.1379398 0.1939942 3.9314596 0.0093297 -0.2172040 -0.1967865 4.1471603 2 Er 3.8046648 -0.0767438 -0.1379398 -0.1939942 3.9314596 -0.0093297 -0.2172040 0.1967865 4.1471603 3 Er 3.8046648 -0.0767438 -0.1379398 -0.1939942 3.9314596 -0.0093297 -0.2172040 0.1967865 4.1471603 4 Er 3.8046648 0.0767438 -0.1379398 0.1939942 3.9314596 0.0093297 -0.2172040 -0.1967865 4.1471603 5 P 4.0886279 -0.3103751 0.1852925 -0.0600784 3.0996855 -0.3130645 -0.0088472 0.2942061 3.7925798 6 P 3.5836068 0.2465918 -0.3606783 0.6118097 3.3439128 -0.0335728 -0.0835983 0.0292025 4.1118602 7 P 4.0886279 0.3103751 0.1852925 0.0600784 3.0996855 0.3130645 -0.0088472 -0.2942061 3.7925798 8 P 3.5836068 -0.2465918 -0.3606783 -0.6118097 3.3439128 0.0335728 -0.0835983 -0.0292025 4.1118602 9 P 3.5836068 -0.2465918 -0.3606783 -0.6118097 3.3439128 0.0335728 -0.0835983 -0.0292025 4.1118602 10 P 4.0886279 0.3103751 0.1852925 0.0600784 3.0996855 0.3130645 -0.0088472 -0.2942061 3.7925798 11 P 3.5836068 0.2465918 -0.3606783 0.6118097 3.3439128 -0.0335728 -0.0835983 0.0292025 4.1118602 12 P 4.0886279 -0.3103751 0.1852925 -0.0600784 3.0996855 -0.3130645 -0.0088472 0.2942061 3.7925798 13 O -1.8017473 -0.0974357 -0.1406632 -0.1847642 -1.6861396 0.6062825 -0.1227308 0.6737350 -1.5375990 14 O -2.3414987 -0.5152072 -0.4024377 -0.4357752 -1.2503120 -0.1682597 -0.4913289 -0.3086150 -1.2444540 15 O -3.2040363 -0.8457785 -0.2760705 -0.8069470 -1.1699817 -0.1530557 -0.0885749 -0.0571164 -1.0266987 16 O -2.3414987 0.5152072 -0.4024377 0.4357752 -1.2503120 0.1682597 -0.4913289 0.3086150 -1.2444540 17 O -1.2663569 -0.3005313 0.3674563 -0.1059734 -2.3555272 0.5789422 0.3266368 0.3142795 -1.7878968 18 O -3.2040363 0.8457785 -0.2760705 0.8069470 -1.1699817 0.1530557 -0.0885749 0.0571164 -1.0266987 19 O -1.0598123 -0.1236045 0.0904422 -0.1701511 -1.1164220 -0.0711100 0.0548751 -0.0589315 -3.1492951 20 O -1.2663569 0.3005313 0.3674563 0.1059734 -2.3555272 -0.5789422 0.3266368 -0.3142795 -1.7878968 21 O -1.8017473 0.0974357 -0.1406632 0.1847642 -1.6861396 -0.6062825 -0.1227308 -0.6737350 -1.5375990 22 O -1.2079738 0.1440902 0.4684059 -0.1497446 -2.3210916 -0.3807093 0.4463041 -0.2580442 -1.7566285 23 O -1.0598123 0.1236045 0.0904422 0.1701511 -1.1164220 0.0711100 0.0548751 0.0589315 -3.1492951 24 O -1.2079738 -0.1440902 0.4684059 0.1497446 -2.3210916 0.3807093 0.4463041 0.2580442 -1.7566285 25 O -1.1909486 -0.0000000 0.4123849 -0.0000000 -0.9511674 0.0000000 0.3689359 0.0000000 -3.0980564 26 O -1.2079738 -0.1440902 0.4684059 0.1497446 -2.3210916 0.3807093 0.4463041 0.2580442 -1.7566285 27 O -1.0598123 0.1236045 0.0904422 0.1701511 -1.1164220 0.0711100 0.0548751 0.0589315 -3.1492951 28 O -1.2079738 0.1440902 0.4684059 -0.1497446 -2.3210916 -0.3807093 0.4463041 -0.2580442 -1.7566285 29 O -1.8017473 0.0974357 -0.1406632 0.1847642 -1.6861396 -0.6062825 -0.1227308 -0.6737350 -1.5375990 30 O -1.2663569 0.3005313 0.3674563 0.1059734 -2.3555272 -0.5789422 0.3266368 -0.3142795 -1.7878968 31 O -1.0598123 -0.1236045 0.0904422 -0.1701511 -1.1164220 -0.0711100 0.0548751 -0.0589315 -3.1492951 32 O -3.2040363 0.8457785 -0.2760705 0.8069470 -1.1699817 0.1530557 -0.0885749 0.0571164 -1.0266987 33 O -1.2663569 -0.3005313 0.3674563 -0.1059734 -2.3555272 0.5789422 0.3266368 0.3142795 -1.7878968 34 O -2.3414987 0.5152072 -0.4024377 0.4357752 -1.2503120 0.1682597 -0.4913289 0.3086150 -1.2444540 35 O -3.2040363 -0.8457785 -0.2760705 -0.8069470 -1.1699817 -0.1530557 -0.0885749 -0.0571164 -1.0266987 36 O -1.1909486 -0.0000000 0.4123849 -0.0000000 -0.9511674 0.0000000 0.3689359 0.0000000 -3.0980564 37 O -2.3414987 -0.5152072 -0.4024377 -0.4357752 -1.2503120 -0.1682597 -0.4913289 -0.3086150 -1.2444540 38 O -1.8017473 -0.0974357 -0.1406632 -0.1847642 -1.6861396 0.6062825 -0.1227308 0.6737350 -1.5375990 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 16341/16341 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3364 Number of blocks in projector: 3364 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (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: 724 / 724 (1) 213 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3364, 3279), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (724, 705), data: False |-- (724, 11), data: (724, 30) @ (30, 11) |-- (224, 213), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.669 Solver_block: 200 / 1200 - Time: 0.561 Solver_block: 300 / 1200 - Time: 0.566 Solver_block: 400 / 1200 - Time: 0.561 Solver_block: 500 / 1200 - Time: 0.561 Solver_block: 600 / 1200 - Time: 0.565 Solver_block: 700 / 1200 - Time: 0.564 Solver_block: 800 / 1200 - Time: 0.560 Solver_block: 900 / 1200 - Time: 0.560 Solver_block: 1000 / 1200 - Time: 0.564 Solver_block: 1100 / 1200 - Time: 0.564 Solver_block: 1200 / 1200 - Time: 0.560 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.000 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 228/228 Permutation basis: 16341/16341 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3364 Number of blocks in projector: 3364 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (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: 724 / 724 (1) 213 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 203 eigenvectors found. (1) Complementary block size: 35 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3364, 3279), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (720, 702), data: False |-- (720, 17), data: (720, 35) @ (35, 17) |-- (220, 203), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (724, 705), data: False |-- (724, 11), data: (724, 30) @ (30, 11) |-- (224, 213), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 02:56:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:56:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877963140000014 -3.345005619999999 0.000000000000000 b 5.877963140000014 3.345005619999999 0.000000000000000 c -3.733434581736243 0.000000000000000 12.222287325936874 Atomic positions (fractional): 1 Er 0.68884384771337 0.69467452292048 0.04764199640863 167.259 2 Er 0.69467452292048 0.68884384771337 0.54764199640863 167.259 3 Er 0.30532547707952 0.31115615228663 0.45235800359137 167.259 4 Er 0.31115615228663 0.30532547707952 0.95235800359137 167.259 5 P 0.83018269568662 0.14633175562225 0.13286888610522 30.974 6 P 0.75084595751562 0.77217881179899 0.33771219341180 30.974 7 P 0.85366824437775 0.16981730431338 0.36713111389478 30.974 8 P 0.22782118820101 0.24915404248438 0.16228780658820 30.974 9 P 0.77217881179899 0.75084595751562 0.83771219341181 30.974 10 P 0.14633175562226 0.83018269568662 0.63286888610522 30.974 11 P 0.24915404248438 0.22782118820101 0.66228780658819 30.974 12 P 0.16981730431338 0.85366824437775 0.86713111389478 30.974 13 O 0.66257105601273 0.32299909237412 0.05592738300702 15.999 14 O 0.87222436292561 0.90184725604695 0.10111274192131 15.999 15 O 0.88125750550056 0.91758500832024 0.34501874621015 15.999 16 O 0.90184725604695 0.87222436292561 0.60111274192131 15.999 17 O 0.92185854450542 0.57345398710679 0.40369507709827 15.999 18 O 0.91758500832024 0.88125750550056 0.84501874621015 15.999 19 O 0.68727148620718 0.69882594621033 0.21844629149892 15.999 20 O 0.42654601289321 0.07814145549458 0.09630492290173 15.999 21 O 0.32299909237412 0.66257105601273 0.55592738300702 15.999 22 O 0.54931284190211 0.92097721744382 0.40396518131912 15.999 23 O 0.30117405378967 0.31272851379282 0.28155370850107 15.999 24 O 0.92097721744382 0.54931284190211 0.90396518131912 15.999 25 O 0.74260990592409 0.25739009407591 0.25000000000000 15.999 26 O 0.07902278255618 0.45068715809789 0.09603481868088 15.999 27 O 0.69882594621033 0.68727148620718 0.71844629149893 15.999 28 O 0.45068715809789 0.07902278255618 0.59603481868088 15.999 29 O 0.67700090762588 0.33742894398727 0.44407261699298 15.999 30 O 0.57345398710679 0.92185854450542 0.90369507709827 15.999 31 O 0.31272851379282 0.30117405378967 0.78155370850107 15.999 32 O 0.08241499167976 0.11874249449944 0.15498125378985 15.999 33 O 0.07814145549458 0.42654601289321 0.59630492290173 15.999 34 O 0.09815274395305 0.12777563707439 0.39888725807869 15.999 35 O 0.11874249449944 0.08241499167976 0.65498125378985 15.999 36 O 0.25739009407591 0.74260990592409 0.75000000000000 15.999 37 O 0.12777563707439 0.09815274395305 0.89888725807869 15.999 38 O 0.33742894398727 0.67700090762588 0.94407261699298 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.755926280000027 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690011239999998 0.000000000000000 c -3.733434581736243 0.000000000000000 12.222287325936874 Atomic positions (fractional): 1 Er 0.19175918531693 0.50291533760356 0.04764199640863 167.259 > 1 2 Er 0.19175918531693 0.49708466239644 0.54764199640863 167.259 > 2 3 Er 0.30824081468307 0.00291533760356 0.45235800359137 167.259 > 3 4 Er 0.30824081468307 0.99708466239644 0.95235800359137 167.259 > 4 5 Er 0.69175918531693 0.00291533760356 0.04764199640863 167.259 > 1 6 Er 0.69175918531693 0.99708466239644 0.54764199640863 167.259 > 2 7 Er 0.80824081468307 0.50291533760356 0.45235800359137 167.259 > 3 8 Er 0.80824081468307 0.49708466239644 0.95235800359137 167.259 > 4 9 P 0.48825722565444 0.65807452996782 0.13286888610522 30.974 > 9 10 P 0.26151238465730 0.51066642714168 0.33771219341180 30.974 > 10 11 P 0.01174277434556 0.15807452996782 0.36713111389478 30.974 > 11 12 P 0.23848761534269 0.01066642714168 0.16228780658820 30.974 > 12 13 P 0.26151238465730 0.48933357285832 0.83771219341181 30.974 > 13 14 P 0.48825722565444 0.34192547003218 0.63286888610522 30.974 > 14 15 P 0.23848761534269 0.98933357285832 0.66228780658819 30.974 > 15 16 P 0.01174277434556 0.84192547003218 0.86713111389478 30.974 > 16 17 P 0.98825722565444 0.15807452996782 0.13286888610522 30.974 > 9 18 P 0.76151238465731 0.01066642714168 0.33771219341180 30.974 > 10 19 P 0.51174277434556 0.65807452996782 0.36713111389478 30.974 > 11 20 P 0.73848761534269 0.51066642714168 0.16228780658820 30.974 > 12 21 P 0.76151238465731 0.98933357285832 0.83771219341181 30.974 > 13 22 P 0.98825722565444 0.84192547003218 0.63286888610522 30.974 > 14 23 P 0.73848761534269 0.48933357285832 0.66228780658819 30.974 > 15 24 P 0.51174277434556 0.34192547003218 0.86713111389478 30.974 > 16 25 O 0.49278507419343 0.83021401818069 0.05592738300702 15.999 > 25 26 O 0.38703580948628 0.51481144656067 0.10111274192131 15.999 > 26 27 O 0.39942125691040 0.51816375140984 0.34501874621015 15.999 > 27 28 O 0.38703580948628 0.48518855343933 0.60111274192131 15.999 > 28 29 O 0.24765626580611 0.32579772130068 0.40369507709827 15.999 > 29 30 O 0.39942125691040 0.48183624859016 0.84501874621015 15.999 > 30 31 O 0.19304871620875 0.50577723000158 0.21844629149892 15.999 > 31 32 O 0.25234373419389 0.82579772130068 0.09630492290173 15.999 > 32 33 O 0.49278507419343 0.16978598181930 0.55592738300702 15.999 > 33 34 O 0.23514502967296 0.68583218777085 0.40396518131912 15.999 > 34 35 O 0.30695128379125 0.00577723000158 0.28155370850107 15.999 > 35 36 O 0.23514502967296 0.31416781222915 0.90396518131912 15.999 > 36 37 O 0.00000000000000 0.25739009407591 0.25000000000000 15.999 > 37 38 O 0.26485497032703 0.18583218777085 0.09603481868088 15.999 > 38 39 O 0.19304871620875 0.49422276999842 0.71844629149893 15.999 > 39 40 O 0.26485497032703 0.81416781222915 0.59603481868088 15.999 > 40 41 O 0.00721492580657 0.33021401818070 0.44407261699298 15.999 > 41 42 O 0.24765626580611 0.67420227869932 0.90369507709827 15.999 > 42 43 O 0.30695128379125 0.99422276999842 0.78155370850107 15.999 > 43 44 O 0.10057874308960 0.01816375140984 0.15498125378985 15.999 > 44 45 O 0.25234373419389 0.17420227869932 0.59630492290173 15.999 > 45 46 O 0.11296419051372 0.01481144656067 0.39888725807869 15.999 > 46 47 O 0.10057874308960 0.98183624859016 0.65498125378985 15.999 > 47 48 O 0.00000000000000 0.74260990592409 0.75000000000000 15.999 > 48 49 O 0.11296419051372 0.98518855343933 0.89888725807869 15.999 > 49 50 O 0.00721492580657 0.66978598181931 0.94407261699298 15.999 > 50 51 O 0.99278507419343 0.33021401818070 0.05592738300702 15.999 > 25 52 O 0.88703580948628 0.01481144656067 0.10111274192131 15.999 > 26 53 O 0.89942125691040 0.01816375140984 0.34501874621015 15.999 > 27 54 O 0.88703580948628 0.98518855343933 0.60111274192131 15.999 > 28 55 O 0.74765626580611 0.82579772130068 0.40369507709827 15.999 > 29 56 O 0.89942125691040 0.98183624859016 0.84501874621015 15.999 > 30 57 O 0.69304871620875 0.00577723000158 0.21844629149892 15.999 > 31 58 O 0.75234373419389 0.32579772130068 0.09630492290173 15.999 > 32 59 O 0.99278507419343 0.66978598181931 0.55592738300702 15.999 > 33 60 O 0.73514502967297 0.18583218777085 0.40396518131912 15.999 > 34 61 O 0.80695128379125 0.50577723000158 0.28155370850107 15.999 > 35 62 O 0.73514502967297 0.81416781222915 0.90396518131912 15.999 > 36 63 O 0.50000000000000 0.75739009407591 0.25000000000000 15.999 > 37 64 O 0.76485497032703 0.68583218777085 0.09603481868088 15.999 > 38 65 O 0.69304871620875 0.99422276999842 0.71844629149893 15.999 > 39 66 O 0.76485497032703 0.31416781222915 0.59603481868088 15.999 > 40 67 O 0.50721492580657 0.83021401818069 0.44407261699298 15.999 > 41 68 O 0.74765626580611 0.17420227869932 0.90369507709827 15.999 > 42 69 O 0.80695128379125 0.49422276999842 0.78155370850107 15.999 > 43 70 O 0.60057874308960 0.51816375140984 0.15498125378985 15.999 > 44 71 O 0.75234373419389 0.67420227869932 0.59630492290173 15.999 > 45 72 O 0.61296419051372 0.51481144656067 0.39888725807869 15.999 > 46 73 O 0.60057874308960 0.48183624859016 0.65498125378985 15.999 > 47 74 O 0.50000000000000 0.24260990592409 0.75000000000000 15.999 > 48 75 O 0.61296419051372 0.48518855343933 0.89888725807869 15.999 > 49 76 O 0.50721492580657 0.16978598181930 0.94407261699298 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9073792 0.0000000 -0.0553207 0.0000000 2.8404021 0.0000000 -0.0553223 0.0000000 3.0236469 -------------------------- Born effective charges -------------------------- 1 Er 3.8046648 0.0767438 -0.1379398 0.1939942 3.9314596 0.0093297 -0.2172040 -0.1967865 4.1471603 2 Er 3.8046648 -0.0767438 -0.1379398 -0.1939942 3.9314596 -0.0093297 -0.2172040 0.1967865 4.1471603 3 Er 3.8046648 -0.0767438 -0.1379398 -0.1939942 3.9314596 -0.0093297 -0.2172040 0.1967865 4.1471603 4 Er 3.8046648 0.0767438 -0.1379398 0.1939942 3.9314596 0.0093297 -0.2172040 -0.1967865 4.1471603 5 P 4.0886279 -0.3103751 0.1852925 -0.0600784 3.0996855 -0.3130645 -0.0088472 0.2942061 3.7925798 6 P 3.5836068 0.2465918 -0.3606783 0.6118097 3.3439128 -0.0335728 -0.0835983 0.0292025 4.1118602 7 P 4.0886279 0.3103751 0.1852925 0.0600784 3.0996855 0.3130645 -0.0088472 -0.2942061 3.7925798 8 P 3.5836068 -0.2465918 -0.3606783 -0.6118097 3.3439128 0.0335728 -0.0835983 -0.0292025 4.1118602 9 P 3.5836068 -0.2465918 -0.3606783 -0.6118097 3.3439128 0.0335728 -0.0835983 -0.0292025 4.1118602 10 P 4.0886279 0.3103751 0.1852925 0.0600784 3.0996855 0.3130645 -0.0088472 -0.2942061 3.7925798 11 P 3.5836068 0.2465918 -0.3606783 0.6118097 3.3439128 -0.0335728 -0.0835983 0.0292025 4.1118602 12 P 4.0886279 -0.3103751 0.1852925 -0.0600784 3.0996855 -0.3130645 -0.0088472 0.2942061 3.7925798 13 O -1.8017473 -0.0974357 -0.1406632 -0.1847642 -1.6861396 0.6062825 -0.1227308 0.6737350 -1.5375990 14 O -2.3414987 -0.5152072 -0.4024377 -0.4357752 -1.2503120 -0.1682597 -0.4913289 -0.3086150 -1.2444540 15 O -3.2040363 -0.8457785 -0.2760705 -0.8069470 -1.1699817 -0.1530557 -0.0885749 -0.0571164 -1.0266987 16 O -2.3414987 0.5152072 -0.4024377 0.4357752 -1.2503120 0.1682597 -0.4913289 0.3086150 -1.2444540 17 O -1.2663569 -0.3005313 0.3674563 -0.1059734 -2.3555272 0.5789422 0.3266368 0.3142795 -1.7878968 18 O -3.2040363 0.8457785 -0.2760705 0.8069470 -1.1699817 0.1530557 -0.0885749 0.0571164 -1.0266987 19 O -1.0598123 -0.1236045 0.0904422 -0.1701511 -1.1164220 -0.0711100 0.0548751 -0.0589315 -3.1492951 20 O -1.2663569 0.3005313 0.3674563 0.1059734 -2.3555272 -0.5789422 0.3266368 -0.3142795 -1.7878968 21 O -1.8017473 0.0974357 -0.1406632 0.1847642 -1.6861396 -0.6062825 -0.1227308 -0.6737350 -1.5375990 22 O -1.2079738 0.1440902 0.4684059 -0.1497446 -2.3210916 -0.3807093 0.4463041 -0.2580442 -1.7566285 23 O -1.0598123 0.1236045 0.0904422 0.1701511 -1.1164220 0.0711100 0.0548751 0.0589315 -3.1492951 24 O -1.2079738 -0.1440902 0.4684059 0.1497446 -2.3210916 0.3807093 0.4463041 0.2580442 -1.7566285 25 O -1.1909486 -0.0000000 0.4123849 -0.0000000 -0.9511674 0.0000000 0.3689359 0.0000000 -3.0980564 26 O -1.2079738 -0.1440902 0.4684059 0.1497446 -2.3210916 0.3807093 0.4463041 0.2580442 -1.7566285 27 O -1.0598123 0.1236045 0.0904422 0.1701511 -1.1164220 0.0711100 0.0548751 0.0589315 -3.1492951 28 O -1.2079738 0.1440902 0.4684059 -0.1497446 -2.3210916 -0.3807093 0.4463041 -0.2580442 -1.7566285 29 O -1.8017473 0.0974357 -0.1406632 0.1847642 -1.6861396 -0.6062825 -0.1227308 -0.6737350 -1.5375990 30 O -1.2663569 0.3005313 0.3674563 0.1059734 -2.3555272 -0.5789422 0.3266368 -0.3142795 -1.7878968 31 O -1.0598123 -0.1236045 0.0904422 -0.1701511 -1.1164220 -0.0711100 0.0548751 -0.0589315 -3.1492951 32 O -3.2040363 0.8457785 -0.2760705 0.8069470 -1.1699817 0.1530557 -0.0885749 0.0571164 -1.0266987 33 O -1.2663569 -0.3005313 0.3674563 -0.1059734 -2.3555272 0.5789422 0.3266368 0.3142795 -1.7878968 34 O -2.3414987 0.5152072 -0.4024377 0.4357752 -1.2503120 0.1682597 -0.4913289 0.3086150 -1.2444540 35 O -3.2040363 -0.8457785 -0.2760705 -0.8069470 -1.1699817 -0.1530557 -0.0885749 -0.0571164 -1.0266987 36 O -1.1909486 -0.0000000 0.4123849 -0.0000000 -0.9511674 0.0000000 0.3689359 0.0000000 -3.0980564 37 O -2.3414987 -0.5152072 -0.4024377 -0.4357752 -1.2503120 -0.1682597 -0.4913289 -0.3086150 -1.2444540 38 O -1.8017473 -0.0974357 -0.1406632 -0.1847642 -1.6861396 0.6062825 -0.1227308 0.6737350 -1.5375990 ---------------------------------------------------------------------------- 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 10, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 26, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 27, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 31, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 34, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 37, 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] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xy) -0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 02:56:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 02:56:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.877963140000014 -3.345005619999999 0.000000000000000 b 5.877963140000014 3.345005619999999 0.000000000000000 c -3.733434581736243 0.000000000000000 12.222287325936874 Atomic positions (fractional): 1 Er 0.68884384771337 0.69467452292048 0.04764199640863 167.259 2 Er 0.69467452292048 0.68884384771337 0.54764199640863 167.259 3 Er 0.30532547707952 0.31115615228663 0.45235800359137 167.259 4 Er 0.31115615228663 0.30532547707952 0.95235800359137 167.259 5 P 0.83018269568662 0.14633175562225 0.13286888610522 30.974 6 P 0.75084595751562 0.77217881179899 0.33771219341180 30.974 7 P 0.85366824437775 0.16981730431338 0.36713111389478 30.974 8 P 0.22782118820101 0.24915404248438 0.16228780658820 30.974 9 P 0.77217881179899 0.75084595751562 0.83771219341181 30.974 10 P 0.14633175562226 0.83018269568662 0.63286888610522 30.974 11 P 0.24915404248438 0.22782118820101 0.66228780658819 30.974 12 P 0.16981730431338 0.85366824437775 0.86713111389478 30.974 13 O 0.66257105601273 0.32299909237412 0.05592738300702 15.999 14 O 0.87222436292561 0.90184725604695 0.10111274192131 15.999 15 O 0.88125750550056 0.91758500832024 0.34501874621015 15.999 16 O 0.90184725604695 0.87222436292561 0.60111274192131 15.999 17 O 0.92185854450542 0.57345398710679 0.40369507709827 15.999 18 O 0.91758500832024 0.88125750550056 0.84501874621015 15.999 19 O 0.68727148620718 0.69882594621033 0.21844629149892 15.999 20 O 0.42654601289321 0.07814145549458 0.09630492290173 15.999 21 O 0.32299909237412 0.66257105601273 0.55592738300702 15.999 22 O 0.54931284190211 0.92097721744382 0.40396518131912 15.999 23 O 0.30117405378967 0.31272851379282 0.28155370850107 15.999 24 O 0.92097721744382 0.54931284190211 0.90396518131912 15.999 25 O 0.74260990592409 0.25739009407591 0.25000000000000 15.999 26 O 0.07902278255618 0.45068715809789 0.09603481868088 15.999 27 O 0.69882594621033 0.68727148620718 0.71844629149893 15.999 28 O 0.45068715809789 0.07902278255618 0.59603481868088 15.999 29 O 0.67700090762588 0.33742894398727 0.44407261699298 15.999 30 O 0.57345398710679 0.92185854450542 0.90369507709827 15.999 31 O 0.31272851379282 0.30117405378967 0.78155370850107 15.999 32 O 0.08241499167976 0.11874249449944 0.15498125378985 15.999 33 O 0.07814145549458 0.42654601289321 0.59630492290173 15.999 34 O 0.09815274395305 0.12777563707439 0.39888725807869 15.999 35 O 0.11874249449944 0.08241499167976 0.65498125378985 15.999 36 O 0.25739009407591 0.74260990592409 0.75000000000000 15.999 37 O 0.12777563707439 0.09815274395305 0.89888725807869 15.999 38 O 0.33742894398727 0.67700090762588 0.94407261699298 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.755926280000027 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690011239999998 0.000000000000000 c -3.733434581736243 0.000000000000000 12.222287325936874 Atomic positions (fractional): 1 Er 0.19175918531693 0.50291533760356 0.04764199640863 167.259 > 1 2 Er 0.19175918531693 0.49708466239644 0.54764199640863 167.259 > 2 3 Er 0.30824081468307 0.00291533760356 0.45235800359137 167.259 > 3 4 Er 0.30824081468307 0.99708466239644 0.95235800359137 167.259 > 4 5 Er 0.69175918531693 0.00291533760356 0.04764199640863 167.259 > 1 6 Er 0.69175918531693 0.99708466239644 0.54764199640863 167.259 > 2 7 Er 0.80824081468307 0.50291533760356 0.45235800359137 167.259 > 3 8 Er 0.80824081468307 0.49708466239644 0.95235800359137 167.259 > 4 9 P 0.48825722565444 0.65807452996782 0.13286888610522 30.974 > 9 10 P 0.26151238465730 0.51066642714168 0.33771219341180 30.974 > 10 11 P 0.01174277434556 0.15807452996782 0.36713111389478 30.974 > 11 12 P 0.23848761534269 0.01066642714168 0.16228780658820 30.974 > 12 13 P 0.26151238465730 0.48933357285832 0.83771219341181 30.974 > 13 14 P 0.48825722565444 0.34192547003218 0.63286888610522 30.974 > 14 15 P 0.23848761534269 0.98933357285832 0.66228780658819 30.974 > 15 16 P 0.01174277434556 0.84192547003218 0.86713111389478 30.974 > 16 17 P 0.98825722565444 0.15807452996782 0.13286888610522 30.974 > 9 18 P 0.76151238465731 0.01066642714168 0.33771219341180 30.974 > 10 19 P 0.51174277434556 0.65807452996782 0.36713111389478 30.974 > 11 20 P 0.73848761534269 0.51066642714168 0.16228780658820 30.974 > 12 21 P 0.76151238465731 0.98933357285832 0.83771219341181 30.974 > 13 22 P 0.98825722565444 0.84192547003218 0.63286888610522 30.974 > 14 23 P 0.73848761534269 0.48933357285832 0.66228780658819 30.974 > 15 24 P 0.51174277434556 0.34192547003218 0.86713111389478 30.974 > 16 25 O 0.49278507419343 0.83021401818069 0.05592738300702 15.999 > 25 26 O 0.38703580948628 0.51481144656067 0.10111274192131 15.999 > 26 27 O 0.39942125691040 0.51816375140984 0.34501874621015 15.999 > 27 28 O 0.38703580948628 0.48518855343933 0.60111274192131 15.999 > 28 29 O 0.24765626580611 0.32579772130068 0.40369507709827 15.999 > 29 30 O 0.39942125691040 0.48183624859016 0.84501874621015 15.999 > 30 31 O 0.19304871620875 0.50577723000158 0.21844629149892 15.999 > 31 32 O 0.25234373419389 0.82579772130068 0.09630492290173 15.999 > 32 33 O 0.49278507419343 0.16978598181930 0.55592738300702 15.999 > 33 34 O 0.23514502967296 0.68583218777085 0.40396518131912 15.999 > 34 35 O 0.30695128379125 0.00577723000158 0.28155370850107 15.999 > 35 36 O 0.23514502967296 0.31416781222915 0.90396518131912 15.999 > 36 37 O 0.00000000000000 0.25739009407591 0.25000000000000 15.999 > 37 38 O 0.26485497032703 0.18583218777085 0.09603481868088 15.999 > 38 39 O 0.19304871620875 0.49422276999842 0.71844629149893 15.999 > 39 40 O 0.26485497032703 0.81416781222915 0.59603481868088 15.999 > 40 41 O 0.00721492580657 0.33021401818070 0.44407261699298 15.999 > 41 42 O 0.24765626580611 0.67420227869932 0.90369507709827 15.999 > 42 43 O 0.30695128379125 0.99422276999842 0.78155370850107 15.999 > 43 44 O 0.10057874308960 0.01816375140984 0.15498125378985 15.999 > 44 45 O 0.25234373419389 0.17420227869932 0.59630492290173 15.999 > 45 46 O 0.11296419051372 0.01481144656067 0.39888725807869 15.999 > 46 47 O 0.10057874308960 0.98183624859016 0.65498125378985 15.999 > 47 48 O 0.00000000000000 0.74260990592409 0.75000000000000 15.999 > 48 49 O 0.11296419051372 0.98518855343933 0.89888725807869 15.999 > 49 50 O 0.00721492580657 0.66978598181931 0.94407261699298 15.999 > 50 51 O 0.99278507419343 0.33021401818070 0.05592738300702 15.999 > 25 52 O 0.88703580948628 0.01481144656067 0.10111274192131 15.999 > 26 53 O 0.89942125691040 0.01816375140984 0.34501874621015 15.999 > 27 54 O 0.88703580948628 0.98518855343933 0.60111274192131 15.999 > 28 55 O 0.74765626580611 0.82579772130068 0.40369507709827 15.999 > 29 56 O 0.89942125691040 0.98183624859016 0.84501874621015 15.999 > 30 57 O 0.69304871620875 0.00577723000158 0.21844629149892 15.999 > 31 58 O 0.75234373419389 0.32579772130068 0.09630492290173 15.999 > 32 59 O 0.99278507419343 0.66978598181931 0.55592738300702 15.999 > 33 60 O 0.73514502967297 0.18583218777085 0.40396518131912 15.999 > 34 61 O 0.80695128379125 0.50577723000158 0.28155370850107 15.999 > 35 62 O 0.73514502967297 0.81416781222915 0.90396518131912 15.999 > 36 63 O 0.50000000000000 0.75739009407591 0.25000000000000 15.999 > 37 64 O 0.76485497032703 0.68583218777085 0.09603481868088 15.999 > 38 65 O 0.69304871620875 0.99422276999842 0.71844629149893 15.999 > 39 66 O 0.76485497032703 0.31416781222915 0.59603481868088 15.999 > 40 67 O 0.50721492580657 0.83021401818069 0.44407261699298 15.999 > 41 68 O 0.74765626580611 0.17420227869932 0.90369507709827 15.999 > 42 69 O 0.80695128379125 0.49422276999842 0.78155370850107 15.999 > 43 70 O 0.60057874308960 0.51816375140984 0.15498125378985 15.999 > 44 71 O 0.75234373419389 0.67420227869932 0.59630492290173 15.999 > 45 72 O 0.61296419051372 0.51481144656067 0.39888725807869 15.999 > 46 73 O 0.60057874308960 0.48183624859016 0.65498125378985 15.999 > 47 74 O 0.50000000000000 0.24260990592409 0.75000000000000 15.999 > 48 75 O 0.61296419051372 0.48518855343933 0.89888725807869 15.999 > 49 76 O 0.50721492580657 0.16978598181930 0.94407261699298 15.999 > 50 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9073792 0.0000000 -0.0553207 0.0000000 2.8404021 0.0000000 -0.0553223 0.0000000 3.0236469 -------------------------- Born effective charges -------------------------- 1 Er 3.8046648 0.0767438 -0.1379398 0.1939942 3.9314596 0.0093297 -0.2172040 -0.1967865 4.1471603 2 Er 3.8046648 -0.0767438 -0.1379398 -0.1939942 3.9314596 -0.0093297 -0.2172040 0.1967865 4.1471603 3 Er 3.8046648 -0.0767438 -0.1379398 -0.1939942 3.9314596 -0.0093297 -0.2172040 0.1967865 4.1471603 4 Er 3.8046648 0.0767438 -0.1379398 0.1939942 3.9314596 0.0093297 -0.2172040 -0.1967865 4.1471603 5 P 4.0886279 -0.3103751 0.1852925 -0.0600784 3.0996855 -0.3130645 -0.0088472 0.2942061 3.7925798 6 P 3.5836068 0.2465918 -0.3606783 0.6118097 3.3439128 -0.0335728 -0.0835983 0.0292025 4.1118602 7 P 4.0886279 0.3103751 0.1852925 0.0600784 3.0996855 0.3130645 -0.0088472 -0.2942061 3.7925798 8 P 3.5836068 -0.2465918 -0.3606783 -0.6118097 3.3439128 0.0335728 -0.0835983 -0.0292025 4.1118602 9 P 3.5836068 -0.2465918 -0.3606783 -0.6118097 3.3439128 0.0335728 -0.0835983 -0.0292025 4.1118602 10 P 4.0886279 0.3103751 0.1852925 0.0600784 3.0996855 0.3130645 -0.0088472 -0.2942061 3.7925798 11 P 3.5836068 0.2465918 -0.3606783 0.6118097 3.3439128 -0.0335728 -0.0835983 0.0292025 4.1118602 12 P 4.0886279 -0.3103751 0.1852925 -0.0600784 3.0996855 -0.3130645 -0.0088472 0.2942061 3.7925798 13 O -1.8017473 -0.0974357 -0.1406632 -0.1847642 -1.6861396 0.6062825 -0.1227308 0.6737350 -1.5375990 14 O -2.3414987 -0.5152072 -0.4024377 -0.4357752 -1.2503120 -0.1682597 -0.4913289 -0.3086150 -1.2444540 15 O -3.2040363 -0.8457785 -0.2760705 -0.8069470 -1.1699817 -0.1530557 -0.0885749 -0.0571164 -1.0266987 16 O -2.3414987 0.5152072 -0.4024377 0.4357752 -1.2503120 0.1682597 -0.4913289 0.3086150 -1.2444540 17 O -1.2663569 -0.3005313 0.3674563 -0.1059734 -2.3555272 0.5789422 0.3266368 0.3142795 -1.7878968 18 O -3.2040363 0.8457785 -0.2760705 0.8069470 -1.1699817 0.1530557 -0.0885749 0.0571164 -1.0266987 19 O -1.0598123 -0.1236045 0.0904422 -0.1701511 -1.1164220 -0.0711100 0.0548751 -0.0589315 -3.1492951 20 O -1.2663569 0.3005313 0.3674563 0.1059734 -2.3555272 -0.5789422 0.3266368 -0.3142795 -1.7878968 21 O -1.8017473 0.0974357 -0.1406632 0.1847642 -1.6861396 -0.6062825 -0.1227308 -0.6737350 -1.5375990 22 O -1.2079738 0.1440902 0.4684059 -0.1497446 -2.3210916 -0.3807093 0.4463041 -0.2580442 -1.7566285 23 O -1.0598123 0.1236045 0.0904422 0.1701511 -1.1164220 0.0711100 0.0548751 0.0589315 -3.1492951 24 O -1.2079738 -0.1440902 0.4684059 0.1497446 -2.3210916 0.3807093 0.4463041 0.2580442 -1.7566285 25 O -1.1909486 -0.0000000 0.4123849 -0.0000000 -0.9511674 0.0000000 0.3689359 0.0000000 -3.0980564 26 O -1.2079738 -0.1440902 0.4684059 0.1497446 -2.3210916 0.3807093 0.4463041 0.2580442 -1.7566285 27 O -1.0598123 0.1236045 0.0904422 0.1701511 -1.1164220 0.0711100 0.0548751 0.0589315 -3.1492951 28 O -1.2079738 0.1440902 0.4684059 -0.1497446 -2.3210916 -0.3807093 0.4463041 -0.2580442 -1.7566285 29 O -1.8017473 0.0974357 -0.1406632 0.1847642 -1.6861396 -0.6062825 -0.1227308 -0.6737350 -1.5375990 30 O -1.2663569 0.3005313 0.3674563 0.1059734 -2.3555272 -0.5789422 0.3266368 -0.3142795 -1.7878968 31 O -1.0598123 -0.1236045 0.0904422 -0.1701511 -1.1164220 -0.0711100 0.0548751 -0.0589315 -3.1492951 32 O -3.2040363 0.8457785 -0.2760705 0.8069470 -1.1699817 0.1530557 -0.0885749 0.0571164 -1.0266987 33 O -1.2663569 -0.3005313 0.3674563 -0.1059734 -2.3555272 0.5789422 0.3266368 0.3142795 -1.7878968 34 O -2.3414987 0.5152072 -0.4024377 0.4357752 -1.2503120 0.1682597 -0.4913289 0.3086150 -1.2444540 35 O -3.2040363 -0.8457785 -0.2760705 -0.8069470 -1.1699817 -0.1530557 -0.0885749 -0.0571164 -1.0266987 36 O -1.1909486 -0.0000000 0.4123849 -0.0000000 -0.9511674 0.0000000 0.3689359 0.0000000 -3.0980564 37 O -2.3414987 -0.5152072 -0.4024377 -0.4357752 -1.2503120 -0.1682597 -0.4913289 -0.3086150 -1.2444540 38 O -1.8017473 -0.0974357 -0.1406632 -0.1847642 -1.6861396 0.6062825 -0.1227308 0.6737350 -1.5375990 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (zzz) -0.00000002 (zzz) -0.00000002 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/95) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.876 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.414 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.945 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.269 ( 0.000 0.000 0.000) 0.000 3.374 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.035 ( 0.000 0.000 0.000) 0.000 4.119 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.366 ( 0.000 0.000 0.000) 0.000 4.393 ( 0.000 0.000 0.000) 0.000 4.585 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.772 ( 0.000 0.000 0.000) 0.000 4.824 ( 0.000 0.000 0.000) 0.000 4.916 ( 0.000 0.000 0.000) 0.000 5.081 ( 0.000 0.000 0.000) 0.000 5.253 ( 0.000 0.000 0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 6.091 ( 0.000 0.000 0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.641 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.473 ( 0.000 0.000 0.000) 0.000 7.503 ( 0.000 0.000 0.000) 0.000 7.546 ( 0.000 0.000 0.000) 0.000 7.849 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.503 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 8.936 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 9.811 ( 0.000 0.000 0.000) 0.000 10.073 ( 0.000 0.000 0.000) 0.000 10.117 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.428 ( 0.000 0.000 0.000) 0.000 10.792 ( 0.000 0.000 0.000) 0.000 10.849 ( 0.000 0.000 0.000) 0.000 10.994 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 12.203 ( 0.000 0.000 0.000) 0.000 12.258 ( 0.000 0.000 0.000) 0.000 12.958 ( 0.000 0.000 0.000) 0.000 13.079 ( 0.000 0.000 0.000) 0.000 13.084 ( 0.000 0.000 0.000) 0.000 13.279 ( 0.000 0.000 0.000) 0.000 13.517 ( 0.000 0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 13.634 ( 0.000 0.000 0.000) 0.000 13.971 ( 0.000 0.000 0.000) 0.000 14.281 ( 0.000 0.000 0.000) 0.000 14.328 ( 0.000 0.000 0.000) 0.000 14.595 ( 0.000 0.000 0.000) 0.000 14.830 ( 0.000 0.000 0.000) 0.000 14.927 ( 0.000 0.000 0.000) 0.000 15.115 ( 0.000 0.000 0.000) 0.000 15.336 ( 0.000 0.000 0.000) 0.000 15.432 ( 0.000 0.000 0.000) 0.000 16.685 ( 0.000 0.000 0.000) 0.000 16.693 ( 0.000 0.000 0.000) 0.000 16.719 ( 0.000 0.000 0.000) 0.000 16.752 ( 0.000 0.000 0.000) 0.000 16.980 ( 0.000 0.000 0.000) 0.000 17.022 ( 0.000 0.000 0.000) 0.000 17.031 ( 0.000 0.000 0.000) 0.000 17.217 ( 0.000 0.000 0.000) 0.000 19.618 ( 0.000 0.000 0.000) 0.000 19.718 ( 0.000 0.000 0.000) 0.000 21.514 ( 0.000 0.000 0.000) 0.000 21.624 ( 0.000 0.000 0.000) 0.000 23.006 ( 0.000 0.000 0.000) 0.000 23.271 ( 0.000 0.000 0.000) 0.000 27.717 ( 0.000 0.000 0.000) 0.000 28.186 ( 0.000 0.000 0.000) 0.000 29.200 ( 0.000 0.000 0.000) 0.000 29.434 ( 0.000 0.000 0.000) 0.000 29.832 ( 0.000 0.000 0.000) 0.000 30.051 ( 0.000 0.000 0.000) 0.000 30.771 ( 0.000 0.000 0.000) 0.000 31.026 ( 0.000 0.000 0.000) 0.000 31.180 ( 0.000 0.000 0.000) 0.000 31.196 ( 0.000 0.000 0.000) 0.000 31.857 ( 0.000 0.000 0.000) 0.000 31.898 ( 0.000 0.000 0.000) 0.000 32.078 ( 0.000 0.000 0.000) 0.000 32.231 ( 0.000 0.000 0.000) 0.000 32.246 ( 0.000 0.000 0.000) 0.000 32.282 ( 0.000 0.000 0.000) 0.000 32.297 ( 0.000 0.000 0.000) 0.000 32.432 ( 0.000 0.000 0.000) 0.000 34.333 ( 0.000 0.000 0.000) 0.000 34.465 ( 0.000 0.000 0.000) 0.000 34.758 ( 0.000 0.000 0.000) 0.000 35.422 ( 0.000 0.000 0.000) 0.000 35.690 ( 0.000 0.000 0.000) 0.000 35.849 ( 0.000 0.000 0.000) 0.000 35.906 ( 0.000 0.000 0.000) 0.000 37.796 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/95) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 10.550 -23.187 3.268) 25.682 0.595 ( 30.644 -16.681 6.173) 35.432 0.805 ( 16.942 -34.728 4.728) 38.928 1.847 ( -2.657 -1.580 -8.821) 9.347 2.024 ( 2.054 -7.990 -2.196) 8.537 2.502 ( 10.793 -0.409 7.562) 13.185 2.730 ( 4.710 1.181 -0.028) 4.856 2.920 ( -1.435 1.667 0.411) 2.238 3.049 ( 3.168 -5.585 -2.114) 6.760 3.177 ( -1.958 3.310 0.553) 3.886 3.314 ( -0.494 2.550 0.845) 2.732 3.437 ( -1.710 -5.770 1.167) 6.130 3.694 ( 2.356 0.672 1.936) 3.122 3.761 ( 2.056 -1.323 -5.629) 6.137 3.804 ( 0.258 0.621 0.722) 0.987 4.008 ( 0.331 -2.960 0.665) 3.052 4.082 ( 2.939 1.716 2.417) 4.174 4.148 ( 3.554 1.062 -6.705) 7.663 4.254 ( -3.029 -0.119 3.330) 4.503 4.375 ( 1.645 -0.739 -0.835) 1.987 4.420 ( 1.859 -2.081 -0.181) 2.796 4.524 ( -2.176 2.266 0.024) 3.142 4.746 ( 0.874 -6.489 0.700) 6.585 4.760 ( -3.614 1.135 1.644) 4.130 4.821 ( 3.963 2.577 -3.680) 5.991 5.034 ( 7.185 1.459 -6.685) 9.922 5.129 ( 0.129 -4.180 7.035) 8.184 5.263 ( 3.061 1.130 2.627) 4.189 5.551 ( -1.278 1.100 2.786) 3.257 5.999 ( -4.998 6.739 0.227) 8.393 6.121 ( -12.024 1.319 0.302) 12.099 6.241 ( 0.268 0.648 -2.986) 3.067 6.506 ( -23.657 -11.746 -12.407) 29.182 6.623 ( -2.939 0.217 -1.600) 3.353 7.366 ( -1.165 2.344 -1.115) 2.845 7.412 ( 0.821 3.527 3.887) 5.313 7.530 ( -1.206 -3.152 -14.489) 14.876 7.648 ( -0.697 -4.605 14.007) 14.761 7.857 ( -2.515 -0.246 10.073) 10.386 8.105 ( -13.023 -0.944 -0.454) 13.065 8.447 ( -2.745 3.451 -1.342) 4.609 8.476 ( -3.979 -1.778 1.351) 4.563 8.650 ( 4.211 -1.652 1.567) 4.787 8.798 ( 1.449 3.671 5.794) 7.010 8.931 ( 3.663 2.480 0.253) 4.430 9.014 ( -1.281 -0.920 1.408) 2.114 9.563 ( -3.961 5.915 -0.504) 7.137 9.776 ( -2.736 2.896 -1.210) 4.164 10.057 ( -4.974 0.315 3.072) 5.854 10.156 ( 3.566 -1.191 -3.857) 5.386 10.171 ( -1.324 0.190 -0.022) 1.338 10.467 ( -3.241 -2.042 -0.449) 3.857 10.811 ( 0.863 0.988 0.054) 1.313 10.919 ( -6.512 -0.603 3.852) 7.590 10.960 ( 6.243 -2.704 4.436) 8.122 11.104 ( 11.630 -1.550 -4.552) 12.585 12.165 ( -2.587 3.216 0.473) 4.154 12.219 ( -3.320 2.669 0.359) 4.275 12.913 ( -1.413 4.574 -1.380) 4.982 13.034 ( -2.237 1.404 -3.221) 4.165 13.086 ( 1.528 1.675 4.714) 5.230 13.276 ( -0.574 -0.071 -1.665) 1.762 13.548 ( -2.118 -2.216 0.082) 3.067 13.650 ( -0.198 -1.273 1.336) 1.856 13.753 ( 13.927 9.003 -12.819) 20.961 14.019 ( 2.508 -1.129 3.340) 4.327 14.309 ( 0.246 -3.011 0.181) 3.026 14.445 ( 0.030 -6.765 -3.664) 7.694 14.822 ( 3.598 1.189 0.077) 3.790 14.935 ( 1.866 -1.018 3.065) 3.730 15.071 ( 20.445 5.296 -0.153) 21.121 15.338 ( 12.355 5.556 0.601) 13.561 15.412 ( 38.072 16.817 -4.005) 41.813 15.462 ( 4.220 -0.749 2.384) 4.904 16.600 ( -3.405 4.966 0.322) 6.030 16.694 ( -0.625 -0.231 0.722) 0.983 16.749 ( 2.538 -0.732 0.400) 2.672 16.920 ( -4.725 -4.534 2.205) 6.910 16.988 ( 3.183 -1.065 -3.545) 4.881 17.020 ( 3.148 0.265 -9.612) 10.118 17.048 ( 0.576 -0.459 4.616) 4.674 17.256 ( -2.054 -1.519 -0.493) 2.602 19.623 ( 0.451 -0.342 0.138) 0.583 19.817 ( -0.223 -2.251 -0.735) 2.378 21.502 ( 0.565 3.470 -0.976) 3.649 21.608 ( -0.351 1.746 0.112) 1.785 23.094 ( -10.221 -0.680 -1.854) 10.410 23.291 ( -1.863 -2.543 -0.616) 3.212 27.771 ( 11.863 3.618 -15.796) 20.084 28.170 ( -0.132 2.494 2.966) 3.877 29.297 ( 9.588 4.298 10.706) 15.000 29.532 ( 2.887 -0.595 0.010) 2.948 29.828 ( -0.261 0.631 1.252) 1.426 30.031 ( -0.108 1.954 -0.345) 1.987 30.805 ( 2.744 -1.737 -1.414) 3.542 31.112 ( 0.073 3.687 0.592) 3.735 31.289 ( -0.832 -6.461 1.277) 6.639 31.569 ( -10.594 -4.996 -6.376) 13.336 31.851 ( -6.590 -3.776 -4.621) 8.890 32.012 ( -6.195 -1.389 -5.201) 8.207 32.140 ( -3.553 -4.713 2.402) 6.372 32.246 ( 0.014 -2.830 -1.114) 3.042 32.281 ( -1.813 -1.902 -2.169) 3.408 32.316 ( 0.763 -1.761 -0.091) 1.921 32.451 ( 1.495 -1.564 -0.092) 2.165 33.374 ( 15.766 9.498 -10.270) 21.078 34.324 ( 0.233 0.422 -0.011) 0.482 34.527 ( -1.520 -7.233 -1.083) 7.470 34.743 ( -5.187 2.409 15.954) 16.948 35.434 ( 3.807 1.121 1.674) 4.307 35.738 ( 5.833 5.547 3.179) 8.654 35.883 ( 5.837 -0.317 -0.344) 5.855 36.930 ( -5.300 9.330 20.728) 23.341 37.694 ( 1.771 12.032 -0.479) 12.171 ======================= Grid point 2 (3/95) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 8.907 -21.261 1.747) 23.118 1.151 ( 31.677 -11.695 6.392) 34.367 1.448 ( 5.387 -27.901 1.355) 28.449 1.893 ( 2.991 -6.543 -7.353) 10.287 2.225 ( 4.660 -11.840 -2.944) 13.060 2.626 ( 5.963 -2.079 7.249) 9.614 2.730 ( 2.411 2.361 -2.626) 4.276 2.892 ( 3.191 2.799 -0.095) 4.246 3.114 ( -1.086 0.722 -1.437) 1.940 3.158 ( -1.525 -1.358 1.612) 2.602 3.264 ( 0.117 2.293 5.830) 6.266 3.497 ( -0.727 -3.319 1.386) 3.669 3.722 ( 3.728 0.150 2.615) 4.556 3.777 ( 1.287 -2.056 -1.903) 3.083 3.876 ( 4.495 -3.982 -1.621) 6.220 4.050 ( 0.303 2.344 3.942) 4.596 4.101 ( -0.649 -8.074 -5.588) 9.841 4.165 ( 4.789 -1.716 -7.084) 8.721 4.242 ( -3.532 -0.131 4.155) 5.454 4.407 ( 1.933 0.111 -1.886) 2.703 4.449 ( -3.747 -2.092 1.123) 4.436 4.517 ( 2.262 -2.007 -2.611) 3.995 4.726 ( -4.012 -2.427 3.883) 6.088 4.804 ( 3.409 1.728 -2.319) 4.470 4.852 ( -0.185 -4.300 -2.177) 4.824 5.029 ( 1.664 2.237 -5.574) 6.232 5.234 ( -0.999 -5.926 2.835) 6.644 5.275 ( 4.334 3.340 2.927) 6.205 5.534 ( 0.759 1.846 3.667) 4.175 5.835 ( -8.338 3.505 1.496) 9.168 5.969 ( -11.498 3.581 3.399) 12.514 6.168 ( -5.050 4.007 -4.285) 7.741 6.395 ( -10.092 2.305 -7.175) 12.595 6.583 ( -2.744 0.655 -0.277) 2.835 7.311 ( -0.747 0.792 -3.940) 4.087 7.389 ( 0.728 2.923 5.917) 6.639 7.544 ( -1.004 -4.337 -10.608) 11.504 7.728 ( 3.227 -0.384 1.100) 3.431 7.901 ( -6.847 -3.372 16.756) 18.413 7.983 ( -4.530 0.533 -5.903) 7.460 8.320 ( -3.722 7.531 -1.489) 8.531 8.494 ( -5.838 -4.946 0.899) 7.705 8.695 ( 8.751 5.118 4.925) 11.272 8.769 ( 0.705 1.742 0.952) 2.107 8.931 ( 5.781 2.855 -0.067) 6.448 9.008 ( 0.401 1.742 1.188) 2.146 9.415 ( -3.206 6.951 -0.412) 7.666 9.657 ( -4.888 6.233 -1.286) 8.025 9.984 ( -7.559 1.819 2.329) 8.116 10.145 ( -3.682 -0.037 -0.427) 3.707 10.188 ( 2.104 0.329 -3.109) 3.768 10.482 ( 0.669 -1.346 0.096) 1.506 10.817 ( 1.299 -0.445 -1.505) 2.038 10.876 ( -6.493 -1.226 4.054) 7.752 11.111 ( 7.536 -4.476 4.131) 9.690 11.241 ( 11.592 -3.154 -4.559) 12.850 12.064 ( -4.028 4.414 0.656) 6.012 12.122 ( -4.720 4.053 -0.374) 6.232 12.799 ( -2.798 5.031 -2.510) 6.280 12.970 ( -3.282 3.067 1.548) 4.751 13.109 ( 4.540 0.628 2.612) 5.275 13.265 ( -0.233 -0.009 -2.552) 2.563 13.563 ( 0.460 -0.678 -0.737) 1.102 13.665 ( -2.567 -1.068 3.700) 4.629 13.702 ( 4.463 3.623 -7.016) 9.070 14.031 ( -0.393 1.553 2.863) 3.281 14.373 ( 1.634 -3.283 -0.371) 3.686 14.550 ( 1.913 -3.441 -0.807) 4.019 14.870 ( 1.060 -1.435 -0.901) 1.998 15.005 ( 7.472 -4.098 2.621) 8.916 15.197 ( 7.686 -4.184 -2.143) 9.009 15.401 ( 11.744 0.841 -0.606) 11.790 15.492 ( 21.183 6.125 -3.756) 22.368 15.542 ( 5.600 -1.871 3.669) 6.951 16.501 ( -3.065 3.027 1.601) 4.596 16.691 ( -1.135 -0.061 0.924) 1.465 16.795 ( 2.033 -2.056 0.081) 2.892 16.918 ( -3.683 -0.496 2.441) 4.446 17.028 ( 4.305 0.114 -6.877) 8.114 17.051 ( 1.748 -3.174 -4.951) 6.136 17.079 ( -0.244 -1.827 4.331) 4.707 17.252 ( -2.452 -0.567 0.313) 2.536 19.639 ( 1.072 -0.775 0.251) 1.347 19.864 ( 3.342 -1.528 0.055) 3.675 21.421 ( -2.710 4.624 -0.663) 5.400 21.560 ( -1.343 3.050 0.372) 3.354 23.003 ( -7.255 0.572 -0.904) 7.334 23.305 ( -2.802 -1.986 -0.443) 3.463 27.782 ( 4.667 0.526 -6.106) 7.704 28.118 ( -0.668 4.358 3.681) 5.743 29.364 ( 5.266 -0.684 6.218) 8.177 29.585 ( 3.428 -2.477 -2.728) 5.033 29.809 ( -0.693 1.715 1.176) 2.192 29.995 ( 0.600 2.138 -0.734) 2.339 30.868 ( 2.363 -3.100 -1.525) 4.185 31.069 ( 0.148 2.042 1.071) 2.311 31.378 ( -3.351 -5.589 2.565) 7.003 31.553 ( -0.694 -1.309 -0.598) 1.598 31.830 ( -6.328 -2.857 -5.657) 8.955 31.957 ( -1.872 1.784 -3.732) 4.540 32.144 ( -1.601 1.278 3.710) 4.238 32.261 ( -3.061 -0.186 -1.854) 3.583 32.351 ( -1.802 -7.900 -1.072) 8.174 32.369 ( 2.460 -3.388 -1.171) 4.347 32.507 ( 4.607 -1.214 0.746) 4.822 33.323 ( 8.692 7.684 -4.980) 12.625 34.338 ( 1.004 -1.499 0.011) 1.804 34.636 ( -4.014 -6.392 1.377) 7.672 34.703 ( -2.837 -1.022 4.718) 5.599 35.463 ( 6.846 2.426 3.751) 8.174 35.708 ( 2.403 3.330 0.381) 4.124 35.954 ( 6.172 -1.185 -0.648) 6.318 36.703 ( -14.191 11.438 7.489) 19.705 37.488 ( 4.964 14.579 -0.512) 15.409 ======================= Grid point 3 (4/95) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.348 -18.036 0.293) 19.123 1.566 ( 22.407 -3.498 5.299) 23.290 1.863 ( 3.319 -19.174 -1.618) 19.526 2.039 ( 2.079 -8.529 -4.198) 9.731 2.411 ( 5.143 -3.924 0.201) 6.472 2.635 ( -5.212 1.944 -3.646) 6.651 2.788 ( -2.066 5.398 -4.258) 7.179 2.829 ( 4.962 -5.616 6.012) 9.607 3.098 ( 0.095 1.301 2.747) 3.041 3.153 ( -0.105 -0.854 -0.512) 1.001 3.311 ( 4.760 -2.864 8.259) 9.953 3.545 ( -1.473 -2.238 2.477) 3.649 3.719 ( -2.255 2.531 -0.735) 3.468 3.835 ( 2.499 0.032 1.338) 2.835 3.945 ( -1.221 -2.163 -2.274) 3.367 4.069 ( 8.218 -1.642 2.963) 8.889 4.188 ( -4.013 1.627 3.601) 5.632 4.233 ( 3.427 -6.482 -7.041) 10.166 4.321 ( 10.626 -9.371 -12.934) 19.184 4.394 ( 0.265 -0.633 -0.470) 0.831 4.479 ( -1.979 -3.561 3.097) 5.117 4.568 ( 2.637 -1.374 -0.773) 3.072 4.742 ( -0.028 2.835 5.822) 6.476 4.817 ( -0.070 -2.652 -0.528) 2.705 4.916 ( -1.855 -6.535 -2.289) 7.169 4.970 ( -1.708 2.597 -2.392) 3.922 5.176 ( -1.676 9.673 -1.234) 9.895 5.319 ( -0.825 -3.678 -1.054) 3.914 5.531 ( 0.484 0.875 3.442) 3.584 5.718 ( -12.357 2.689 2.756) 12.943 5.871 ( -2.199 -0.155 5.843) 6.245 6.027 ( -5.283 3.787 -3.274) 7.278 6.221 ( -4.444 6.880 -6.171) 10.255 6.550 ( -1.906 0.871 0.296) 2.117 7.310 ( 0.121 -1.617 -3.002) 3.413 7.371 ( -0.723 -0.032 3.842) 3.910 7.587 ( 0.668 -3.987 -8.043) 9.002 7.751 ( 2.722 0.464 -0.161) 2.766 7.786 ( -7.410 6.571 4.841) 11.024 8.108 ( 0.832 -10.429 3.376) 10.993 8.134 ( -4.399 8.762 0.070) 9.805 8.520 ( -5.868 -4.416 -0.053) 7.344 8.657 ( 2.864 7.467 2.634) 8.420 8.780 ( 4.872 0.394 0.253) 4.895 8.944 ( 5.201 2.023 0.645) 5.618 8.980 ( 3.481 3.426 0.165) 4.887 9.282 ( -3.044 5.143 -0.183) 5.980 9.486 ( -6.440 7.050 -0.180) 9.550 9.885 ( -6.102 2.196 0.365) 6.495 10.104 ( -5.793 -0.997 -0.867) 5.941 10.166 ( 1.902 3.511 -0.806) 4.074 10.508 ( 0.984 -0.384 0.003) 1.056 10.837 ( 1.816 -0.718 -1.222) 2.303 10.867 ( -3.679 -2.142 2.660) 5.020 11.245 ( 5.266 -2.713 2.157) 6.304 11.394 ( 9.463 -3.870 -2.186) 10.455 11.973 ( -2.002 3.044 1.184) 3.831 12.015 ( -4.029 2.781 -1.394) 5.091 12.699 ( -2.199 2.955 -2.100) 4.240 12.879 ( -4.481 3.942 2.331) 6.407 13.141 ( 2.389 0.836 1.540) 2.962 13.266 ( 2.271 -0.188 -3.694) 4.341 13.577 ( 2.211 0.388 0.164) 2.250 13.657 ( -4.604 -0.713 4.950) 6.798 13.686 ( 2.360 0.289 -4.956) 5.497 14.001 ( -0.500 1.778 1.368) 2.298 14.439 ( 1.465 -2.784 -0.100) 3.147 14.587 ( 1.316 -0.209 -0.606) 1.464 14.852 ( -2.974 0.751 -0.754) 3.159 15.164 ( 2.066 -4.690 2.718) 5.801 15.358 ( 10.313 -5.476 -0.875) 11.710 15.508 ( 8.414 -1.955 -2.141) 8.900 15.576 ( 12.941 2.486 -2.238) 13.367 15.641 ( 5.413 -2.416 2.895) 6.598 16.462 ( -1.627 -0.376 2.294) 2.837 16.676 ( -1.274 0.835 0.137) 1.529 16.837 ( -0.957 -1.121 1.041) 1.805 16.911 ( 0.316 -1.100 0.718) 1.351 17.049 ( 2.533 0.679 -1.271) 2.915 17.078 ( 0.572 -1.609 -4.679) 4.981 17.129 ( -0.058 -2.701 0.285) 2.716 17.233 ( -1.520 0.490 0.469) 1.664 19.669 ( 1.520 -1.090 0.262) 1.889 19.924 ( 3.778 -1.322 0.026) 4.003 21.305 ( -3.781 4.790 -0.557) 6.128 21.492 ( -1.858 3.068 0.491) 3.620 22.942 ( -4.258 -0.015 -0.579) 4.297 23.306 ( -2.346 -1.315 -0.253) 2.702 27.808 ( 2.250 -1.174 -2.596) 3.630 28.041 ( -1.036 4.779 2.564) 5.522 29.446 ( 3.155 -2.272 4.621) 6.039 29.654 ( 2.651 -2.798 -2.141) 4.409 29.763 ( -1.087 2.709 -0.876) 3.048 29.976 ( 1.711 1.209 -0.451) 2.143 30.935 ( 1.886 -2.872 -1.445) 3.727 31.049 ( -0.078 1.005 1.560) 1.857 31.431 ( -4.415 -4.823 2.867) 7.140 31.578 ( 2.177 0.659 1.353) 2.647 31.800 ( -4.272 -2.008 -5.357) 7.140 31.905 ( -0.568 1.631 -2.973) 3.438 32.114 ( -0.469 2.210 3.888) 4.497 32.210 ( -6.735 -0.475 -3.046) 7.407 32.431 ( 1.889 -3.347 -1.196) 4.025 32.472 ( -0.201 -5.514 -0.100) 5.518 32.572 ( 5.927 -0.144 1.545) 6.127 33.263 ( 5.070 5.709 -3.002) 8.204 34.387 ( 1.556 -2.552 0.314) 3.005 34.613 ( -3.047 2.235 4.588) 5.944 34.805 ( -3.149 -10.137 -3.324) 11.123 35.503 ( 8.992 3.486 5.502) 11.104 35.677 ( 1.595 2.515 -0.351) 2.999 36.019 ( 1.085 -1.813 0.195) 2.122 36.373 ( -11.642 12.558 0.733) 17.140 37.329 ( 4.515 9.743 -0.155) 10.740 ======================= Grid point 4 (5/95) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 2.300 -9.678 -1.315) 10.034 1.724 ( 6.496 1.044 3.158) 7.298 2.131 ( 2.253 -6.431 -0.010) 6.814 2.165 ( 2.834 -6.423 -3.138) 7.690 2.453 ( 0.275 2.293 -0.706) 2.415 2.571 ( -3.805 0.716 0.126) 3.874 2.590 ( 0.124 6.221 0.893) 6.286 3.050 ( 2.542 -6.193 -2.220) 7.053 3.054 ( -0.647 2.742 0.472) 2.857 3.220 ( 1.207 -9.016 4.876) 10.321 3.410 ( 0.893 2.694 0.746) 2.935 3.552 ( -2.764 0.149 0.463) 2.807 3.652 ( 4.203 0.456 3.640) 5.579 3.780 ( -5.769 4.157 -2.653) 7.589 3.920 ( -1.297 0.673 -1.525) 2.112 4.173 ( 0.089 -0.403 1.807) 1.853 4.247 ( 7.432 -5.467 1.035) 9.284 4.349 ( 5.974 -3.338 -1.928) 7.109 4.392 ( 1.446 -1.874 -3.631) 4.334 4.476 ( 0.834 -0.368 1.010) 1.360 4.527 ( 0.477 3.250 -4.051) 5.216 4.594 ( -0.969 -2.252 1.446) 2.847 4.725 ( 0.760 -1.648 3.749) 4.165 4.880 ( -2.917 -2.327 -2.947) 4.755 4.927 ( 0.253 -1.000 0.085) 1.035 4.999 ( 0.570 2.707 -0.539) 2.819 5.024 ( 1.557 -5.705 -0.066) 5.914 5.257 ( -7.540 8.873 -1.680) 11.765 5.513 ( -3.277 -2.087 2.831) 4.807 5.610 ( -0.626 2.917 0.984) 3.142 5.858 ( -1.858 0.772 -0.788) 2.161 5.998 ( 0.972 -1.335 3.693) 4.046 6.086 ( -1.518 3.469 -4.366) 5.780 6.520 ( -1.184 0.728 0.147) 1.398 7.318 ( 0.296 0.297 0.135) 0.440 7.429 ( -0.285 -5.716 0.027) 5.723 7.612 ( 2.656 5.677 -3.060) 6.975 7.644 ( -4.834 -0.747 0.689) 4.940 7.778 ( 1.226 -1.251 1.389) 2.236 7.960 ( -2.344 6.130 -0.925) 6.628 8.316 ( 0.135 -11.331 4.067) 12.040 8.511 ( -1.256 5.248 -2.334) 5.880 8.546 ( -0.508 2.854 0.693) 2.981 8.826 ( 2.500 -0.865 -0.180) 2.652 8.954 ( 1.782 1.137 0.095) 2.116 8.977 ( 3.011 1.257 0.730) 3.344 9.205 ( -0.191 1.443 -0.415) 1.514 9.328 ( -4.961 4.225 0.470) 6.534 9.815 ( -2.352 0.989 -0.161) 2.556 10.073 ( -3.444 -1.020 -0.478) 3.624 10.125 ( 1.442 2.484 0.127) 2.875 10.513 ( 0.141 0.132 0.009) 0.193 10.863 ( 2.243 -0.092 -0.958) 2.441 10.878 ( -2.318 -1.509 1.357) 3.081 11.309 ( 1.802 -0.660 0.385) 1.958 11.506 ( 3.758 -1.707 -0.255) 4.136 11.936 ( 0.211 1.003 1.350) 1.695 11.956 ( -1.856 0.575 -1.572) 2.499 12.655 ( -0.307 0.482 -1.058) 1.202 12.787 ( -2.957 2.418 1.178) 3.998 13.141 ( 0.315 0.528 0.338) 0.701 13.284 ( 1.636 -0.170 -1.776) 2.420 13.591 ( 1.429 0.409 1.064) 1.828 13.640 ( -2.423 -0.441 1.507) 2.888 13.695 ( 0.881 -0.299 -1.697) 1.936 13.979 ( -0.093 0.684 0.393) 0.795 14.483 ( 0.221 -1.292 0.147) 1.319 14.595 ( 1.079 0.257 -0.411) 1.183 14.813 ( -1.528 0.645 -0.267) 1.680 15.219 ( -0.359 -1.393 0.510) 1.526 15.496 ( 3.930 -1.811 0.698) 4.383 15.588 ( 2.809 -1.261 -1.377) 3.373 15.631 ( 4.375 0.583 -0.447) 4.436 15.728 ( 3.139 -1.550 0.908) 3.617 16.487 ( 0.150 -1.860 1.675) 2.508 16.639 ( -1.087 1.639 -0.826) 2.133 16.829 ( -1.330 -0.023 0.766) 1.535 16.960 ( 2.422 -1.889 0.242) 3.081 17.028 ( -1.567 1.412 -0.340) 2.136 17.102 ( 1.188 -0.757 -1.993) 2.441 17.160 ( -0.190 -1.115 -0.245) 1.158 17.217 ( -0.298 0.472 0.373) 0.672 19.697 ( 0.824 -0.598 0.116) 1.024 19.968 ( 1.647 -0.578 -0.031) 1.746 21.213 ( -1.855 2.154 -0.221) 2.851 21.440 ( -0.911 1.330 0.228) 1.628 22.917 ( -1.343 -0.133 -0.209) 1.365 23.305 ( -0.894 -0.482 -0.082) 1.019 27.845 ( 0.974 -1.599 -0.892) 2.074 27.968 ( -0.751 2.936 1.030) 3.201 29.515 ( 1.362 -1.572 2.448) 3.212 29.703 ( 0.798 -1.329 -0.600) 1.662 29.707 ( -0.806 1.788 -1.516) 2.479 29.977 ( 1.158 0.407 -0.163) 1.238 30.983 ( 0.817 -1.356 -0.696) 1.729 31.040 ( -0.132 0.439 0.893) 1.004 31.485 ( -3.694 -5.365 3.118) 7.221 31.552 ( 2.574 4.815 -1.619) 5.695 31.801 ( -1.504 -2.191 -1.698) 3.154 31.875 ( 0.280 1.081 -1.259) 1.683 32.093 ( 0.852 1.524 2.523) 3.068 32.151 ( -4.282 -0.434 -2.167) 4.819 32.492 ( 1.534 -2.114 -1.014) 2.802 32.518 ( -0.826 -0.681 0.526) 1.193 32.628 ( 2.653 -0.579 0.835) 2.841 33.221 ( 1.627 2.207 -1.131) 2.966 34.439 ( 0.979 -1.610 0.238) 1.900 34.568 ( -1.246 1.401 1.517) 2.412 34.909 ( -1.739 -5.228 -2.082) 5.890 35.545 ( 6.325 2.247 3.710) 7.670 35.656 ( 0.655 1.060 -0.216) 1.265 35.988 ( -7.888 0.915 0.340) 7.948 36.178 ( 1.360 3.744 -1.308) 4.193 37.249 ( 1.600 3.355 -0.023) 3.718 ======================= Grid point 10 (6/95) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 19.468 -0.000 5.440) 20.213 0.465 ( 22.145 -0.000 5.351) 22.782 1.077 ( 50.621 -0.000 12.949) 52.251 1.793 ( 2.157 -0.000 -10.646) 10.862 1.959 ( 2.030 -0.000 -3.006) 3.627 2.672 ( 14.752 -0.000 9.778) 17.698 2.816 ( 9.296 -0.000 -0.848) 9.335 2.943 ( -0.214 0.000 -0.862) 0.888 3.034 ( 0.204 -0.000 -6.074) 6.077 3.262 ( 2.409 -0.000 2.240) 3.289 3.273 ( -0.131 0.000 1.732) 1.737 3.392 ( 0.754 -0.000 3.777) 3.851 3.705 ( 1.335 -0.000 1.776) 2.222 3.760 ( 3.453 -0.000 -8.757) 9.413 3.805 ( -1.849 0.000 -0.938) 2.073 3.981 ( -0.574 0.000 1.338) 1.456 4.113 ( 2.340 -0.000 -5.204) 5.706 4.160 ( -8.647 0.000 3.926) 9.496 4.233 ( 0.060 -0.000 -7.970) 7.971 4.356 ( 2.795 -0.000 -0.672) 2.874 4.399 ( -0.836 0.000 1.464) 1.686 4.543 ( -8.061 0.000 2.740) 8.514 4.694 ( 6.349 -0.000 -2.598) 6.860 4.808 ( -1.609 0.000 -1.085) 1.941 4.956 ( 2.134 -0.000 -4.336) 4.833 5.103 ( 1.198 -0.000 2.317) 2.609 5.232 ( -0.346 0.000 -1.931) 1.962 5.354 ( 3.741 -0.000 -2.198) 4.339 5.586 ( 3.134 -0.000 -2.404) 3.950 5.675 ( -2.830 0.000 3.519) 4.516 6.021 ( -6.588 0.000 0.374) 6.598 6.063 ( -13.752 0.000 3.046) 14.085 6.235 ( -3.691 0.000 -2.561) 4.493 6.566 ( -7.997 0.000 -1.054) 8.066 7.382 ( -5.275 0.000 -7.312) 9.016 7.397 ( 0.546 -0.000 2.103) 2.172 7.553 ( 2.210 -0.000 1.056) 2.450 7.596 ( -0.267 0.000 13.618) 13.620 7.855 ( -4.890 0.000 11.430) 12.432 7.995 ( -5.390 0.000 -0.239) 5.395 8.394 ( -6.246 0.000 0.722) 6.288 8.490 ( -0.497 0.000 -0.629) 0.802 8.665 ( 8.073 -0.000 4.777) 9.381 8.826 ( -2.063 0.000 4.030) 4.527 8.989 ( 4.790 -0.000 0.573) 4.825 9.021 ( 0.584 -0.000 2.615) 2.680 9.561 ( -5.126 0.000 -0.632) 5.165 9.772 ( -3.685 0.000 -1.357) 3.927 10.033 ( -5.007 0.000 3.863) 6.324 10.123 ( -5.814 0.000 -2.348) 6.270 10.156 ( 2.044 -0.000 -3.946) 4.444 10.444 ( 2.370 -0.000 -0.121) 2.374 10.816 ( -1.504 0.000 1.540) 2.153 10.860 ( -6.004 0.000 3.111) 6.762 11.040 ( 9.016 -0.000 4.316) 9.996 11.185 ( 11.179 -0.000 -4.492) 12.047 12.159 ( -4.965 0.000 1.893) 5.313 12.193 ( -6.336 0.000 -0.012) 6.336 12.976 ( 1.641 -0.000 0.068) 1.642 12.990 ( -4.422 0.000 -3.937) 5.920 13.099 ( -2.857 0.000 5.180) 5.916 13.255 ( -2.033 0.000 -2.500) 3.223 13.536 ( 2.485 -0.000 -1.543) 2.925 13.652 ( 0.946 -0.000 2.479) 2.653 13.872 ( -0.352 0.000 -13.639) 13.643 14.069 ( 6.196 -0.000 7.155) 9.464 14.391 ( 11.729 -0.000 -2.972) 12.099 14.411 ( 7.861 -0.000 -0.902) 7.912 14.891 ( 5.549 -0.000 2.449) 6.066 14.893 ( -1.147 0.000 -2.473) 2.726 15.131 ( 4.889 -0.000 -4.746) 6.813 15.422 ( 8.476 -0.000 -1.440) 8.597 15.497 ( 4.924 -0.000 4.570) 6.718 16.393 ( -4.942 0.000 -8.068) 9.461 16.625 ( -7.703 0.000 4.229) 8.787 16.676 ( 0.271 -0.000 -3.952) 3.962 16.753 ( 1.762 -0.000 -5.186) 5.478 16.820 ( 0.942 -0.000 0.288) 0.985 16.994 ( 0.244 -0.000 1.698) 1.716 17.044 ( 10.795 -0.000 -32.757) 34.490 17.077 ( 2.451 -0.000 2.170) 3.274 17.191 ( -2.832 0.000 1.041) 3.017 19.665 ( 5.555 -0.000 -2.093) 5.937 19.775 ( 5.553 -0.000 1.029) 5.648 21.543 ( -3.318 0.000 -2.875) 4.390 21.599 ( -2.752 0.000 0.050) 2.752 22.933 ( -7.418 0.000 0.737) 7.454 23.235 ( -3.283 0.000 -1.293) 3.528 27.883 ( 8.519 -0.000 -32.224) 33.331 28.195 ( -1.480 0.000 6.339) 6.510 29.491 ( 7.231 -0.000 -4.405) 8.467 29.693 ( -3.509 0.000 14.754) 15.165 29.843 ( 0.534 -0.000 1.344) 1.447 30.025 ( -2.397 0.000 -0.960) 2.582 30.908 ( 5.596 -0.000 -11.657) 12.931 31.029 ( 0.133 -0.000 0.574) 0.589 31.184 ( -0.527 0.000 2.515) 2.570 31.197 ( 0.086 -0.000 0.122) 0.149 31.871 ( -2.432 0.000 -1.253) 2.735 31.893 ( 3.387 -0.000 0.310) 3.401 32.107 ( 1.638 -0.000 0.420) 1.691 32.197 ( -3.684 0.000 0.135) 3.686 32.289 ( 3.299 -0.000 -0.224) 3.306 32.309 ( 1.313 -0.000 0.292) 1.345 32.499 ( 6.233 -0.000 -2.462) 6.701 33.522 ( 4.893 -0.000 -22.597) 23.120 34.341 ( 1.496 -0.000 -2.159) 2.627 34.434 ( -2.512 0.000 -1.431) 2.891 34.754 ( -10.518 0.000 24.767) 26.908 35.456 ( 0.757 -0.000 4.787) 4.846 35.891 ( 0.035 -0.000 -1.621) 1.621 35.913 ( 7.844 -0.000 -4.624) 9.106 37.182 ( -15.763 0.000 39.302) 42.345 37.727 ( -6.414 0.000 -1.099) 6.508 ======================= Grid point 11 (7/95) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( 17.231 -13.480 2.303) 21.998 0.931 ( 10.456 -28.238 3.520) 30.317 1.554 ( 40.289 1.205 10.967) 41.772 1.843 ( 7.422 -3.317 -4.979) 9.533 2.072 ( 6.086 -9.717 -4.356) 12.266 2.742 ( 3.577 6.334 4.225) 8.412 2.837 ( 10.027 4.132 -2.979) 11.246 2.990 ( 4.042 -0.096 0.760) 4.114 3.041 ( -1.261 -4.206 -5.622) 7.133 3.180 ( 2.449 5.121 5.018) 7.576 3.336 ( 2.251 1.361 4.129) 4.896 3.445 ( -0.506 -3.308 5.802) 6.698 3.702 ( -2.457 0.227 -1.491) 2.883 3.782 ( -1.495 -0.314 -0.159) 1.536 3.827 ( 5.702 -6.287 -6.775) 10.860 4.001 ( 0.500 -2.203 -1.216) 2.565 4.089 ( -1.646 1.180 1.533) 2.540 4.125 ( -0.798 -2.804 -7.118) 7.692 4.248 ( 3.004 -1.101 2.875) 4.301 4.372 ( -0.210 -0.258 0.077) 0.341 4.428 ( -4.089 2.160 -1.434) 4.842 4.492 ( 3.739 -4.973 0.501) 6.242 4.737 ( -0.767 4.680 -0.309) 4.752 4.813 ( 5.027 -4.442 0.613) 6.736 4.884 ( 3.535 5.557 -3.287) 7.361 5.060 ( 1.879 4.893 -7.817) 9.412 5.152 ( -3.789 -1.865 3.634) 5.572 5.383 ( 6.075 1.269 3.691) 7.221 5.573 ( 1.585 0.523 4.913) 5.189 5.797 ( -12.687 1.757 -1.197) 12.864 5.925 ( -9.540 2.412 3.532) 10.455 6.070 ( -10.944 -11.803 -8.056) 17.999 6.182 ( -8.504 -3.216 -3.361) 9.693 6.498 ( -9.873 -2.998 -0.253) 10.321 7.290 ( -5.508 0.672 -6.614) 8.633 7.435 ( 0.091 -3.150 -2.250) 3.872 7.490 ( 1.010 5.671 2.102) 6.131 7.727 ( 3.067 -5.428 6.273) 8.844 7.848 ( -3.851 -0.946 10.080) 10.832 7.942 ( -4.778 0.935 0.017) 4.869 8.345 ( -6.505 -0.024 0.749) 6.548 8.429 ( -2.627 3.373 -0.664) 4.327 8.788 ( 6.001 -2.187 2.003) 6.693 8.825 ( 0.495 0.515 3.002) 3.086 9.009 ( 1.949 1.736 2.467) 3.591 9.037 ( 4.439 1.241 1.847) 4.965 9.463 ( -6.234 4.412 -0.911) 7.692 9.693 ( -5.415 3.783 -1.549) 6.784 9.961 ( -6.539 2.671 3.089) 7.709 10.064 ( -8.176 -1.401 -2.012) 8.536 10.183 ( 1.570 -1.812 -3.633) 4.353 10.483 ( 3.800 -0.715 -0.044) 3.867 10.812 ( -0.917 -0.243 0.680) 1.167 10.830 ( -2.668 -0.705 2.823) 3.948 11.161 ( 10.369 -1.699 4.483) 11.424 11.290 ( 10.532 -1.801 -4.687) 11.668 12.083 ( -5.476 2.839 1.159) 6.276 12.116 ( -7.007 1.778 -0.262) 7.234 12.879 ( -1.138 6.555 -2.777) 7.210 12.963 ( -4.607 1.402 1.770) 5.130 13.120 ( -0.899 -2.661 3.994) 4.883 13.233 ( -2.105 -1.063 -3.687) 4.377 13.563 ( 3.126 -0.445 -2.641) 4.116 13.665 ( 0.322 0.539 3.716) 3.769 13.787 ( -0.470 4.031 -7.705) 8.708 14.107 ( 2.149 3.315 7.012) 8.048 14.460 ( 13.818 3.048 -0.214) 14.151 14.550 ( 9.733 -2.992 -1.846) 10.349 14.862 ( -0.367 0.780 -3.566) 3.669 14.987 ( 3.337 -4.079 2.993) 6.060 15.215 ( 12.510 -2.245 -5.265) 13.757 15.501 ( 10.405 0.608 -2.095) 10.631 15.576 ( 6.229 -1.226 5.396) 8.332 16.014 ( 11.286 25.751 -4.272) 28.438 16.509 ( -5.981 2.547 1.034) 6.582 16.685 ( -0.857 -0.299 1.734) 1.957 16.803 ( 1.063 -0.510 0.272) 1.210 16.843 ( -2.253 -3.858 -1.042) 4.588 17.010 ( 0.321 -1.762 -0.657) 1.907 17.041 ( 5.197 0.150 -11.326) 12.462 17.096 ( 2.630 1.046 -0.496) 2.874 17.195 ( -3.558 -2.492 0.383) 4.361 19.680 ( 6.163 2.545 -0.551) 6.691 19.880 ( 6.528 -2.387 0.348) 6.959 21.455 ( -4.969 3.692 -0.471) 6.209 21.567 ( -4.157 0.606 -0.410) 4.221 22.888 ( -10.078 -2.858 -0.001) 10.475 23.223 ( -4.410 -2.937 -1.456) 5.495 27.837 ( 4.577 2.725 -13.509) 14.521 28.178 ( -2.373 2.317 6.684) 7.461 29.513 ( 7.966 6.649 3.853) 11.069 29.614 ( 4.663 2.876 0.608) 5.512 29.840 ( 0.518 1.230 1.987) 2.394 30.007 ( -2.115 -0.095 -1.142) 2.406 30.873 ( 5.229 0.794 -2.607) 5.897 31.120 ( 0.006 3.447 1.707) 3.847 31.252 ( -4.367 -8.648 -0.372) 9.695 31.326 ( -4.578 -15.284 -3.822) 16.406 31.796 ( -0.311 3.257 -0.091) 3.273 31.944 ( -0.435 -0.290 -2.250) 2.310 32.145 ( -0.461 -2.239 0.001) 2.286 32.157 ( -5.455 -0.512 -0.195) 5.483 32.330 ( 5.334 -1.041 1.320) 5.593 32.356 ( 4.727 -1.554 -0.412) 4.993 32.559 ( 6.945 -0.631 -1.600) 7.155 33.457 ( 2.272 4.449 -11.319) 12.373 34.338 ( 1.700 0.243 -1.758) 2.458 34.471 ( -2.787 -6.753 -2.280) 7.653 34.706 ( -7.686 1.672 14.702) 16.674 35.490 ( -2.043 -2.479 5.607) 6.462 35.846 ( 6.347 5.522 -1.272) 8.509 35.994 ( 8.171 -0.584 -4.904) 9.548 36.920 ( -7.552 19.537 18.186) 27.739 37.644 ( -6.506 4.113 -0.240) 7.701 ======================= Grid point 12 (8/95) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 12.983 -15.253 0.961) 20.053 1.486 ( 3.655 -27.096 2.598) 27.465 1.855 ( 29.051 3.373 6.534) 29.967 1.969 ( 5.827 -3.404 -0.081) 6.749 2.320 ( 7.890 -11.809 -5.494) 15.228 2.645 ( -2.024 4.629 -2.123) 5.480 2.820 ( 4.098 5.080 -4.009) 7.660 2.977 ( 4.095 7.167 2.297) 8.568 3.077 ( -0.219 -2.996 -0.967) 3.156 3.171 ( 1.358 1.954 3.506) 4.238 3.359 ( 4.346 0.167 6.469) 7.795 3.487 ( -4.147 -2.340 6.383) 7.964 3.688 ( -3.296 -2.037 0.378) 3.893 3.789 ( -4.145 -3.774 -2.035) 5.964 3.960 ( 5.465 0.084 0.295) 5.473 4.060 ( 0.284 -6.075 -4.866) 7.789 4.133 ( 2.105 -4.485 -7.938) 9.357 4.163 ( 6.852 -3.326 2.395) 7.985 4.296 ( 3.293 -0.998 -4.808) 5.913 4.368 ( -3.563 -4.744 1.440) 6.105 4.430 ( 5.054 0.565 0.299) 5.094 4.582 ( 2.832 -0.593 0.118) 2.896 4.716 ( 1.076 -2.582 2.699) 3.887 4.853 ( 2.969 1.221 -2.196) 3.890 4.885 ( 2.145 1.932 3.060) 4.206 4.969 ( -3.193 1.710 -4.256) 5.589 5.181 ( -4.178 -4.284 -2.497) 6.484 5.376 ( 3.485 7.912 0.804) 8.683 5.550 ( -3.920 2.546 1.825) 5.018 5.670 ( -4.972 0.820 3.649) 6.222 5.834 ( -6.480 -0.841 5.524) 8.557 5.994 ( -8.451 1.239 -3.430) 9.204 6.179 ( -7.463 -3.286 -8.192) 11.558 6.471 ( -9.233 -3.876 0.748) 10.041 7.241 ( -4.119 -2.910 -6.219) 8.006 7.412 ( -0.706 3.630 -0.350) 3.715 7.492 ( 0.700 -3.695 -2.022) 4.270 7.794 ( 2.212 1.364 1.640) 3.073 7.842 ( -3.512 3.618 4.653) 6.861 7.962 ( -0.859 -8.556 6.747) 10.930 8.227 ( -4.698 7.184 -1.329) 8.686 8.391 ( -5.223 -3.120 0.374) 6.095 8.795 ( 2.227 4.699 1.222) 5.342 8.851 ( 4.405 1.696 1.160) 4.861 9.008 ( -0.162 0.022 1.358) 1.368 9.065 ( 6.599 2.786 2.352) 7.539 9.320 ( -5.730 4.880 -0.909) 7.581 9.543 ( -6.543 6.632 -0.106) 9.317 9.861 ( -6.258 2.215 0.321) 6.646 10.008 ( -7.969 -1.953 -0.727) 8.237 10.199 ( 0.109 -0.010 -3.260) 3.262 10.522 ( 2.641 0.158 0.372) 2.672 10.815 ( -1.876 -1.294 3.706) 4.351 10.845 ( 1.858 -0.887 -1.428) 2.506 11.294 ( 8.908 -0.938 3.460) 9.603 11.413 ( 8.913 -3.128 -3.266) 9.995 12.000 ( -3.092 2.199 1.049) 3.937 12.010 ( -5.850 2.654 -1.048) 6.509 12.757 ( 0.094 6.048 -1.920) 6.346 12.880 ( -7.092 2.381 2.512) 7.892 13.144 ( -3.032 -0.791 2.429) 3.964 13.244 ( 0.590 -2.392 -4.386) 5.030 13.593 ( 3.155 -0.636 -3.126) 4.486 13.657 ( -1.364 1.764 6.878) 7.230 13.716 ( 1.043 1.977 -5.757) 6.176 14.069 ( 0.769 4.024 4.269) 5.917 14.531 ( 13.290 4.069 0.560) 13.911 14.649 ( 9.411 1.530 -2.021) 9.746 14.833 ( -1.567 0.521 -2.934) 3.367 15.091 ( -0.028 -5.185 2.549) 5.777 15.392 ( 13.671 -3.431 -0.939) 14.126 15.582 ( 10.309 0.735 -2.880) 10.729 15.674 ( 6.523 -1.159 4.323) 7.910 15.804 ( 7.903 11.435 -2.231) 14.078 16.443 ( -3.626 0.011 2.028) 4.154 16.684 ( -0.217 0.546 1.873) 1.963 16.811 ( -1.965 -0.678 0.384) 2.114 16.881 ( 0.251 -2.824 -0.504) 2.880 17.041 ( -0.426 -1.752 -3.125) 3.608 17.072 ( 2.856 -1.243 -2.759) 4.161 17.092 ( -0.235 0.026 -0.564) 0.612 17.205 ( -1.444 -1.630 -0.870) 2.344 19.702 ( 5.687 1.609 0.083) 5.911 19.965 ( 6.738 -0.107 0.334) 6.747 21.333 ( -6.282 4.216 0.037) 7.566 21.501 ( -4.833 1.638 -0.496) 5.126 22.851 ( -7.835 -3.256 -0.129) 8.485 23.234 ( -3.874 -3.501 -1.050) 5.326 27.815 ( 2.219 0.535 -5.430) 5.890 28.114 ( -2.467 4.335 4.832) 6.944 29.499 ( 4.354 2.792 5.700) 7.697 29.652 ( 4.799 -0.450 -2.836) 5.593 29.816 ( 1.378 3.216 -0.484) 3.532 29.995 ( -0.013 -0.252 -0.410) 0.481 30.921 ( 4.127 -1.307 -1.916) 4.734 31.083 ( 0.411 2.061 1.927) 2.851 31.319 ( -3.788 -4.922 2.126) 6.565 31.497 ( -3.624 -11.368 -2.840) 12.265 31.751 ( 0.233 2.514 -0.834) 2.659 31.907 ( -1.749 1.426 -2.814) 3.607 32.110 ( -6.947 -1.300 -2.288) 7.429 32.152 ( 0.337 0.897 2.075) 2.285 32.425 ( 4.059 -3.163 0.149) 5.148 32.433 ( 6.615 -1.416 0.022) 6.765 32.630 ( 5.662 -0.358 0.467) 5.693 33.364 ( 0.007 4.848 -6.536) 8.138 34.368 ( 2.456 -1.821 -1.315) 3.329 34.566 ( -3.186 -7.931 -1.228) 8.635 34.653 ( -5.719 0.226 7.428) 9.377 35.519 ( -6.018 -3.444 5.317) 8.738 35.824 ( 9.612 6.316 0.209) 11.503 36.045 ( 6.737 1.768 -4.513) 8.299 36.582 ( -3.399 18.176 7.275) 19.871 37.481 ( -5.097 7.886 -0.104) 9.390 ======================= Grid point 13 (9/95) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 10.289 -12.042 1.589) 15.919 1.818 ( 1.125 -6.461 4.105) 7.736 2.057 ( 14.014 -1.834 2.605) 14.371 2.081 ( 3.724 -6.064 -1.821) 7.346 2.479 ( 1.177 -1.064 -3.015) 3.407 2.579 ( 4.957 2.095 -7.476) 9.212 2.731 ( -0.077 7.480 -2.719) 7.959 2.981 ( 5.531 -4.529 4.614) 8.508 3.103 ( -2.336 4.550 1.126) 5.237 3.125 ( 0.429 -2.867 1.676) 3.349 3.436 ( 1.400 -1.239 4.311) 4.699 3.490 ( -5.601 -2.104 4.276) 7.354 3.700 ( 0.934 -0.639 1.329) 1.746 3.759 ( -6.504 1.152 -1.745) 6.832 3.960 ( 3.870 3.279 -0.773) 5.131 4.153 ( -0.290 -2.301 -6.136) 6.559 4.168 ( -0.419 -7.358 -0.239) 7.374 4.342 ( 5.654 -3.682 3.359) 7.537 4.368 ( 0.533 -4.114 -4.379) 6.033 4.436 ( 0.065 -2.578 1.286) 2.882 4.494 ( 1.182 -5.554 0.631) 5.713 4.592 ( 2.176 2.237 -2.449) 3.967 4.758 ( 0.038 0.565 2.528) 2.590 4.826 ( -0.370 2.521 1.421) 2.917 4.911 ( 5.929 -4.796 -0.180) 7.628 4.959 ( 1.150 -0.662 -0.704) 1.503 5.122 ( -1.381 5.365 -4.330) 7.031 5.292 ( -1.646 3.137 -1.391) 3.807 5.456 ( -4.868 1.739 3.981) 6.525 5.663 ( 2.284 0.826 -1.176) 2.698 5.827 ( -3.741 -1.460 1.456) 4.271 5.964 ( -1.765 -3.474 3.086) 4.971 6.095 ( -5.165 2.503 -5.986) 8.293 6.448 ( -8.706 -3.521 1.129) 9.458 7.275 ( -1.666 -5.336 -4.988) 7.492 7.364 ( -1.229 0.128 1.429) 1.890 7.562 ( 0.994 -4.482 -3.119) 5.550 7.732 ( -2.059 6.439 3.436) 7.583 7.797 ( 1.960 0.956 0.066) 2.182 8.046 ( -3.707 8.417 -1.336) 9.294 8.147 ( 0.245 -10.792 6.209) 12.453 8.413 ( -5.525 -5.272 0.120) 7.638 8.698 ( 1.965 9.400 -0.460) 9.615 8.861 ( 2.924 1.089 -0.211) 3.128 9.004 ( 0.484 1.277 0.109) 1.370 9.061 ( 2.734 4.419 1.870) 5.523 9.209 ( -3.778 2.454 -0.903) 4.595 9.379 ( -3.709 6.039 1.903) 7.338 9.788 ( -4.285 -0.100 -0.626) 4.331 9.985 ( -5.141 -3.007 0.001) 5.955 10.172 ( -0.234 1.539 -3.161) 3.524 10.528 ( 0.655 0.985 1.326) 1.777 10.832 ( -2.130 -1.701 1.561) 3.141 10.886 ( 4.350 -0.700 -0.790) 4.476 11.361 ( 5.786 1.965 1.153) 6.218 11.517 ( 4.231 -1.344 -0.793) 4.509 11.930 ( -3.385 0.658 -2.258) 4.122 11.962 ( -0.780 0.878 1.861) 2.200 12.686 ( 2.141 3.183 -0.992) 3.962 12.783 ( -5.898 1.717 1.682) 6.369 13.122 ( -4.023 -0.682 0.124) 4.082 13.268 ( -1.066 -1.248 -1.868) 2.487 13.623 ( 0.207 1.598 3.585) 3.930 13.628 ( 1.119 -0.262 -0.298) 1.187 13.705 ( 1.941 0.146 -3.484) 3.991 14.026 ( 0.595 2.986 2.512) 3.947 14.581 ( 12.248 4.569 0.499) 13.082 14.675 ( 8.375 4.402 -2.142) 9.701 14.806 ( -0.592 0.244 -2.176) 2.269 15.169 ( -0.656 -3.780 1.982) 4.318 15.516 ( 4.111 -0.316 1.933) 4.554 15.645 ( 7.899 1.677 -2.461) 8.442 15.701 ( 1.229 4.867 -0.604) 5.056 15.761 ( 4.504 0.692 1.347) 4.752 16.458 ( 0.236 -2.706 2.045) 3.400 16.665 ( -0.345 2.207 0.862) 2.395 16.804 ( -2.044 -1.272 0.391) 2.439 16.942 ( 1.908 -2.982 -0.484) 3.573 17.023 ( -2.856 0.815 -0.908) 3.106 17.090 ( -0.464 -1.125 -1.596) 2.007 17.121 ( -0.137 -2.223 0.462) 2.274 17.214 ( 0.294 -0.505 -1.970) 2.055 19.727 ( 4.316 1.523 0.169) 4.580 20.008 ( 4.717 1.616 0.108) 4.988 21.218 ( -5.061 2.336 0.419) 5.590 21.434 ( -4.051 0.751 -0.669) 4.174 22.850 ( -4.942 -3.816 0.031) 6.243 23.259 ( -2.075 -3.178 -0.620) 3.846 27.826 ( 1.087 -1.186 -2.170) 2.702 28.027 ( -1.928 4.598 2.543) 5.597 29.523 ( 1.895 0.043 3.101) 3.634 29.688 ( 1.611 -0.962 -0.853) 2.061 29.764 ( 2.465 4.196 -1.569) 5.113 30.001 ( 0.958 0.636 -0.123) 1.156 30.971 ( 2.679 -1.139 -1.610) 3.327 31.066 ( 0.853 1.429 2.030) 2.625 31.376 ( -2.819 -5.166 2.862) 6.544 31.625 ( 0.557 -5.625 -0.170) 5.655 31.699 ( -1.273 1.637 -3.955) 4.465 31.874 ( -1.698 -0.129 -1.012) 1.981 32.058 ( -5.766 -1.043 -3.164) 6.659 32.160 ( 2.780 0.522 3.303) 4.349 32.494 ( 4.398 -0.947 -1.580) 4.768 32.513 ( 3.529 -1.421 0.605) 3.852 32.666 ( 2.316 1.191 1.757) 3.141 33.265 ( -1.964 3.879 -3.892) 5.835 34.423 ( 2.382 -2.001 -1.223) 3.343 34.579 ( -3.356 1.362 4.765) 5.986 34.724 ( -3.176 -11.029 -1.860) 11.627 35.509 ( -10.920 -2.926 3.441) 11.817 35.795 ( 7.332 8.109 1.215) 11.000 36.046 ( 8.893 3.983 -2.349) 10.023 36.335 ( 2.520 12.196 1.546) 12.550 37.309 ( -6.044 6.028 -0.003) 8.536 ======================= Grid point 14 (10/95) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 1.926 3.111 0.147) 3.662 1.830 ( 3.310 4.900 6.264) 8.614 2.144 ( -1.544 -1.015 -1.933) 2.674 2.222 ( 5.967 -2.931 0.028) 6.648 2.449 ( -1.062 5.050 1.605) 5.404 2.515 ( -0.123 -0.823 -5.401) 5.465 2.664 ( 6.154 4.176 -5.002) 8.963 3.040 ( -0.625 -0.415 2.452) 2.564 3.089 ( 2.467 -0.126 -1.828) 3.073 3.269 ( -1.151 -7.171 3.949) 8.267 3.368 ( -1.955 5.509 -1.397) 6.010 3.521 ( 0.025 -4.744 2.995) 5.610 3.624 ( -6.185 3.337 -4.948) 8.595 3.780 ( 4.009 -1.794 4.727) 6.453 3.945 ( 1.861 1.248 0.721) 2.354 4.156 ( -1.273 -0.530 -5.120) 5.303 4.240 ( -6.513 2.342 -0.419) 6.934 4.298 ( -6.205 -1.558 -0.763) 6.442 4.444 ( -1.148 -0.899 0.712) 1.623 4.470 ( -2.373 -3.879 5.355) 7.025 4.491 ( -0.613 7.583 1.709) 7.798 4.580 ( 0.598 -3.795 0.575) 3.884 4.759 ( 0.983 1.782 0.034) 2.036 4.872 ( 2.061 -3.938 -1.006) 4.557 4.920 ( 0.373 1.829 -1.450) 2.364 5.060 ( 1.497 5.340 -1.821) 5.837 5.129 ( 2.295 -5.628 3.801) 7.169 5.203 ( 10.335 0.371 -0.628) 10.361 5.469 ( -0.444 -2.991 -1.536) 3.392 5.656 ( 5.367 1.601 -4.358) 7.096 5.844 ( -0.294 -2.027 2.089) 2.926 5.987 ( -3.323 1.289 -2.158) 4.166 6.036 ( -1.966 -3.599 2.336) 4.720 6.445 ( -6.901 -4.797 0.800) 8.442 7.292 ( -2.012 -1.000 -1.629) 2.775 7.440 ( 1.485 -6.885 -1.191) 7.143 7.582 ( -2.638 4.968 4.832) 7.416 7.673 ( 5.149 -2.010 -5.393) 7.722 7.809 ( 1.177 1.556 1.385) 2.392 7.909 ( -2.503 1.439 0.696) 2.970 8.347 ( 0.614 -10.572 3.133) 11.043 8.450 ( -4.223 -3.461 -0.246) 5.466 8.534 ( 0.229 9.297 -1.869) 9.485 8.862 ( 1.125 1.580 -0.575) 2.023 8.950 ( -2.877 4.380 1.321) 5.405 8.990 ( -1.370 4.492 -0.225) 4.701 9.163 ( -2.606 -1.880 -1.262) 3.453 9.337 ( 4.216 0.010 2.266) 4.786 9.791 ( -0.519 -3.165 -0.150) 3.211 10.013 ( -2.133 -4.349 0.201) 4.848 10.144 ( 1.400 1.030 -2.825) 3.317 10.519 ( -0.194 0.712 1.489) 1.662 10.835 ( -2.443 -1.026 0.239) 2.661 10.930 ( 4.946 0.892 -0.416) 5.043 11.351 ( 2.347 3.942 0.456) 4.610 11.509 ( -2.967 2.760 -0.373) 4.069 11.908 ( -0.997 -1.082 -2.178) 2.628 11.963 ( 0.132 -0.638 2.103) 2.201 12.670 ( 1.315 1.054 1.183) 2.059 12.762 ( 1.257 -2.008 -0.826) 2.509 13.099 ( -4.335 -1.381 -0.702) 4.603 13.251 ( -4.876 -0.601 1.374) 5.101 13.594 ( -0.460 1.600 2.730) 3.197 13.665 ( 4.583 -0.507 -3.748) 5.943 13.709 ( 1.023 0.565 -0.303) 1.207 13.999 ( 0.351 1.338 1.506) 2.044 14.601 ( 8.986 5.945 -0.321) 10.779 14.667 ( 9.395 5.178 -0.777) 10.755 14.812 ( 1.689 -1.078 -1.470) 2.485 15.211 ( -1.300 -1.547 1.434) 2.478 15.497 ( -3.748 3.037 1.125) 4.954 15.604 ( -5.999 3.909 -0.514) 7.179 15.651 ( 3.994 4.234 -1.018) 5.909 15.746 ( -1.795 3.417 0.625) 3.910 16.509 ( 1.738 0.027 -0.630) 1.849 16.634 ( -0.038 -0.044 1.990) 1.991 16.823 ( 0.628 -1.673 -0.705) 1.921 16.962 ( -2.488 1.465 -0.783) 2.991 17.009 ( 0.319 -1.920 -0.221) 1.959 17.098 ( -1.924 -1.300 2.780) 3.623 17.149 ( -0.009 -1.286 -0.813) 1.522 17.213 ( 0.119 0.163 -1.738) 1.749 19.725 ( 1.830 2.270 0.077) 2.917 19.998 ( 1.432 3.067 0.012) 3.385 21.183 ( -1.340 -1.853 0.670) 2.383 21.409 ( -1.991 -1.575 -0.871) 2.684 22.879 ( -2.366 -3.751 0.276) 4.444 23.293 ( -0.217 -2.228 -0.297) 2.258 27.851 ( 0.221 -0.803 -0.718) 1.100 27.956 ( -0.969 1.969 0.858) 2.356 29.526 ( -0.388 1.284 -1.137) 1.758 29.707 ( -0.185 -0.345 0.298) 0.492 29.736 ( 3.717 2.164 1.092) 4.438 29.979 ( -1.070 1.727 -0.032) 2.031 30.992 ( 0.825 0.218 -1.205) 1.476 31.058 ( 1.111 1.404 1.264) 2.192 31.457 ( -0.880 -5.501 2.653) 6.171 31.606 ( 3.764 5.819 -2.318) 7.308 31.749 ( -2.259 -6.986 -1.638) 7.523 31.859 ( -1.921 0.144 0.938) 2.143 32.038 ( -2.092 -2.571 -3.202) 4.609 32.207 ( 5.256 -0.173 3.467) 6.299 32.518 ( 1.004 1.101 -0.368) 1.535 32.555 ( 4.441 0.293 -1.179) 4.604 32.640 ( -1.651 2.842 1.936) 3.815 33.182 ( -4.436 1.484 -1.661) 4.964 34.453 ( 0.792 0.395 -1.478) 1.723 34.552 ( -1.455 -0.407 1.987) 2.496 34.879 ( -0.448 -8.965 0.128) 8.977 35.417 ( -14.157 -0.083 0.309) 14.161 35.718 ( 4.465 6.357 0.021) 7.769 36.125 ( 16.996 1.412 -2.194) 17.195 36.201 ( 0.631 6.304 2.208) 6.709 37.179 ( -8.599 1.048 0.077) 8.663 ======================= Grid point 15 (11/95) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -10.329 12.431 -0.113) 16.163 1.684 ( 1.491 18.144 0.937) 18.230 2.018 ( -8.160 9.324 1.651) 12.500 2.222 ( 6.531 5.878 1.875) 8.985 2.431 ( -1.060 3.312 0.202) 3.483 2.610 ( 2.354 -11.841 -5.193) 13.142 2.706 ( 8.464 -1.641 0.935) 8.672 2.995 ( -2.968 11.270 -1.219) 11.718 3.074 ( 0.716 1.105 2.541) 2.861 3.184 ( -1.633 2.499 -1.416) 3.304 3.303 ( -5.189 4.072 -6.593) 9.326 3.567 ( 0.521 -0.392 -0.301) 0.718 3.667 ( 2.045 -5.416 3.617) 6.826 3.783 ( -5.436 0.014 -1.968) 5.781 3.980 ( 0.498 -2.267 0.887) 2.484 4.047 ( -5.592 6.425 -1.524) 8.653 4.161 ( 1.962 -2.899 -4.802) 5.942 4.275 ( -6.327 2.421 6.766) 9.575 4.384 ( -3.155 3.549 8.138) 9.422 4.448 ( 1.782 0.288 -1.989) 2.686 4.519 ( -1.069 0.205 1.535) 1.882 4.585 ( -0.835 3.166 2.166) 3.926 4.680 ( -1.701 2.334 -5.093) 5.855 4.930 ( -0.908 -1.326 3.201) 3.582 4.936 ( 1.665 6.953 -3.145) 7.811 4.983 ( 0.927 -5.710 1.226) 5.913 5.150 ( 7.898 4.358 1.254) 9.107 5.360 ( 2.188 -2.091 2.522) 3.939 5.487 ( -1.645 -1.177 -4.015) 4.496 5.776 ( 14.287 -5.922 -3.486) 15.854 5.852 ( -2.155 0.496 -3.663) 4.279 5.989 ( 1.140 -4.791 1.981) 5.308 6.131 ( 1.513 -7.497 4.106) 8.681 6.472 ( -6.305 -5.619 -0.036) 8.446 7.294 ( -1.104 -1.655 -1.015) 2.234 7.441 ( 0.786 6.580 -0.648) 6.658 7.580 ( -1.986 -4.727 2.954) 5.917 7.744 ( -1.072 2.884 0.093) 3.078 7.777 ( 7.696 -3.604 -2.536) 8.868 8.003 ( 1.395 -9.430 2.958) 9.981 8.295 ( -0.331 12.878 -2.315) 13.088 8.485 ( -4.665 -7.133 -3.167) 9.092 8.569 ( 3.102 -5.767 2.197) 6.907 8.805 ( 0.644 5.856 0.211) 5.895 8.863 ( -7.960 -1.855 0.463) 8.186 8.911 ( -2.513 2.428 -0.381) 3.515 9.215 ( 0.970 -4.757 -0.594) 4.891 9.439 ( 5.217 -5.357 0.985) 7.542 9.875 ( 3.274 -4.945 -0.095) 5.931 10.070 ( -2.506 -4.326 -0.366) 5.013 10.159 ( 4.057 -0.366 -0.796) 4.151 10.509 ( -0.943 0.468 0.866) 1.363 10.826 ( -1.886 -0.403 0.548) 2.005 10.948 ( 5.996 2.496 -1.580) 6.684 11.280 ( -0.958 5.401 -0.223) 5.490 11.383 ( -8.682 5.163 0.606) 10.120 11.936 ( 1.173 -2.876 -1.305) 3.369 12.001 ( 1.313 -2.590 1.480) 3.260 12.695 ( 2.455 -1.387 2.431) 3.723 12.835 ( 3.243 -3.792 -2.675) 5.661 13.069 ( -7.066 -1.322 -0.829) 7.236 13.228 ( -3.971 -1.758 2.733) 5.132 13.580 ( 1.304 1.051 0.520) 1.753 13.686 ( 0.051 0.824 1.395) 1.621 13.715 ( 4.673 1.057 -3.360) 5.851 14.003 ( 1.388 -0.616 0.669) 1.660 14.557 ( 6.585 7.189 -0.400) 9.757 14.680 ( 11.337 5.623 0.221) 12.656 14.857 ( 2.583 -1.892 -0.594) 3.256 15.174 ( -7.744 3.069 -0.700) 8.359 15.364 ( -8.795 5.430 0.672) 10.358 15.451 ( -10.643 3.957 0.259) 11.358 15.574 ( -0.735 6.772 2.100) 7.129 15.645 ( -3.962 4.061 -1.807) 5.955 16.486 ( 0.917 2.042 -1.615) 2.760 16.673 ( 1.394 -1.626 1.268) 2.489 16.853 ( 1.305 -0.297 -1.297) 1.864 16.914 ( -1.461 0.764 -0.622) 1.762 17.017 ( -2.423 -0.445 0.391) 2.495 17.113 ( 0.457 0.711 4.640) 4.716 17.155 ( -0.278 0.391 -0.842) 0.969 17.214 ( -0.166 -1.629 -1.676) 2.343 19.693 ( 0.172 2.432 0.032) 2.439 19.942 ( -0.945 3.556 -0.038) 3.680 21.249 ( 1.453 -5.098 0.660) 5.342 21.441 ( -0.294 -3.571 -0.860) 3.685 22.931 ( 0.076 -3.636 0.458) 3.666 23.324 ( 0.946 -1.022 -0.092) 1.396 27.828 ( -1.067 2.359 0.624) 2.664 27.972 ( 0.226 -3.392 -0.691) 3.469 29.469 ( -1.266 3.624 -2.632) 4.655 29.688 ( -1.033 2.280 0.921) 2.667 29.760 ( 3.149 -0.153 1.218) 3.379 29.943 ( -2.433 -0.041 0.393) 2.465 30.971 ( -0.455 2.143 -0.013) 2.191 31.049 ( 0.781 0.877 -0.141) 1.183 31.521 ( -0.036 -0.401 -0.356) 0.537 31.558 ( 3.577 2.679 -1.498) 4.713 31.818 ( -0.324 -2.850 0.870) 2.997 31.864 ( -1.654 -3.432 2.020) 4.312 32.079 ( 1.930 -2.952 -2.652) 4.413 32.264 ( 3.965 0.384 2.348) 4.624 32.483 ( -0.324 3.218 0.523) 3.276 32.534 ( -5.461 3.029 -1.337) 6.386 32.615 ( 9.556 3.027 2.055) 10.233 33.121 ( -9.233 -2.347 -0.497) 9.539 34.418 ( -0.684 2.639 -0.975) 2.895 34.580 ( 0.723 -2.659 -0.829) 2.878 34.964 ( 2.745 2.458 3.004) 4.753 35.303 ( -12.600 -4.025 -2.846) 13.530 35.686 ( 3.297 2.169 -0.300) 3.958 36.056 ( -3.025 5.995 -2.004) 7.008 36.380 ( 20.446 -6.773 1.682) 21.604 37.115 ( -12.382 -5.275 0.137) 13.460 ======================= Grid point 16 (12/95) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -13.929 18.181 -1.529) 22.955 1.321 ( -1.616 23.706 -0.995) 23.781 1.774 ( -5.425 13.604 1.360) 14.709 2.113 ( 5.189 16.385 4.993) 17.898 2.339 ( -2.167 5.077 -2.161) 5.928 2.712 ( -3.178 12.432 -3.226) 13.231 2.741 ( 3.544 4.078 0.750) 5.455 2.828 ( -0.430 -6.333 1.544) 6.533 3.045 ( -3.197 -0.259 -1.707) 3.634 3.162 ( 2.558 -3.740 -0.712) 4.587 3.259 ( 0.777 -0.425 -2.933) 3.064 3.556 ( 0.373 2.859 1.920) 3.464 3.648 ( -5.879 0.217 -2.167) 6.269 3.792 ( -0.864 -1.159 -0.157) 1.454 3.918 ( -2.284 4.882 -1.106) 5.502 4.007 ( 0.899 -0.996 -0.958) 1.648 4.176 ( -4.047 3.322 4.611) 6.977 4.236 ( -0.290 -1.831 1.273) 2.249 4.291 ( 1.315 8.655 0.522) 8.770 4.421 ( 0.714 3.216 1.978) 3.842 4.507 ( 4.017 0.542 -3.163) 5.141 4.552 ( -0.581 1.371 6.033) 6.214 4.666 ( -4.027 -4.304 -5.455) 8.031 4.851 ( 2.858 4.870 -1.530) 5.850 4.931 ( -1.841 -0.619 4.425) 4.833 5.040 ( 3.333 5.734 1.255) 6.751 5.165 ( -2.109 -5.279 -1.398) 5.854 5.349 ( 1.210 6.059 0.912) 6.246 5.480 ( -1.453 -2.160 -2.316) 3.484 5.837 ( 1.175 -1.702 -2.814) 3.492 5.996 ( 11.657 -5.511 -2.202) 13.081 6.109 ( -0.837 -6.360 2.958) 7.064 6.339 ( 4.835 -11.242 3.031) 12.608 6.517 ( -4.109 -6.162 -0.403) 7.417 7.317 ( -0.453 -1.520 1.750) 2.362 7.356 ( 0.199 2.821 -2.746) 3.941 7.612 ( -0.146 0.165 3.954) 3.960 7.700 ( -2.032 0.399 -0.452) 2.119 7.938 ( 9.059 -6.290 -5.151) 12.173 8.073 ( -2.629 10.565 2.405) 11.149 8.209 ( 3.289 -10.354 1.663) 10.990 8.512 ( -7.229 -3.950 -4.257) 9.273 8.640 ( 6.674 3.813 -0.416) 7.698 8.746 ( -1.174 0.363 1.334) 1.814 8.853 ( -3.834 -0.078 -0.087) 3.836 8.895 ( -4.079 -8.003 -0.161) 8.984 9.317 ( 0.877 -6.386 -0.280) 6.452 9.590 ( 3.322 -6.968 0.703) 7.752 9.999 ( 5.573 -4.523 -1.201) 7.278 10.100 ( -3.659 -3.017 -0.084) 4.743 10.202 ( 2.310 0.059 1.275) 2.639 10.493 ( -0.552 0.359 -0.015) 0.659 10.819 ( -0.780 0.145 1.029) 1.300 10.966 ( 7.957 2.109 -2.838) 8.707 11.153 ( -2.664 7.349 -2.397) 8.176 11.208 ( -10.391 4.694 3.590) 11.954 12.014 ( 1.968 -4.655 -0.501) 5.078 12.081 ( 1.882 -4.577 0.561) 4.981 12.770 ( 3.011 -3.376 2.354) 5.099 12.917 ( 1.955 -4.105 -2.855) 5.369 13.016 ( -7.767 -1.907 -0.190) 8.000 13.249 ( -0.818 -2.030 1.501) 2.654 13.588 ( 3.077 0.423 -1.205) 3.331 13.667 ( -2.583 0.827 4.458) 5.218 13.718 ( 2.996 2.117 -3.009) 4.744 14.042 ( 3.024 -0.761 -0.282) 3.131 14.498 ( 6.706 7.493 -0.274) 10.060 14.684 ( 11.074 7.235 1.616) 13.327 14.886 ( -2.174 1.730 -0.094) 2.780 14.963 ( -12.734 4.879 -1.697) 13.742 15.137 ( -16.818 5.863 -1.371) 17.864 15.350 ( -1.126 2.312 2.018) 3.269 15.444 ( -3.537 6.707 2.115) 7.872 15.542 ( -2.844 3.461 -2.120) 4.956 16.479 ( 0.912 -0.863 -1.012) 1.613 16.701 ( 0.969 -0.153 -0.072) 0.984 16.825 ( -0.832 2.612 -0.012) 2.742 16.927 ( 1.596 -1.304 -1.632) 2.629 17.001 ( -2.318 -0.356 1.631) 2.857 17.099 ( -0.188 2.256 3.372) 4.062 17.120 ( -0.151 3.032 -1.549) 3.409 17.252 ( 0.620 -2.180 -0.458) 2.312 19.657 ( -0.063 1.766 0.017) 1.767 19.876 ( -1.137 2.746 -0.084) 2.973 21.358 ( 1.341 -5.507 0.416) 5.683 21.504 ( 0.129 -4.058 -0.506) 4.091 23.004 ( 1.730 -3.969 0.447) 4.353 23.341 ( 1.071 0.173 0.018) 1.085 27.780 ( -1.447 2.110 1.262) 2.853 28.040 ( 0.177 -4.477 -1.103) 4.615 29.377 ( -1.528 4.789 -2.155) 5.469 29.626 ( -1.145 3.837 1.148) 4.166 29.795 ( 1.471 -0.966 -0.258) 1.779 29.947 ( -1.350 -2.255 0.519) 2.679 30.918 ( -0.599 3.613 0.596) 3.710 31.046 ( 0.138 -0.330 -0.546) 0.652 31.493 ( 3.010 4.691 -1.138) 5.688 31.538 ( -1.472 0.279 -1.052) 1.830 31.878 ( 1.227 -2.976 2.558) 4.111 31.930 ( 0.119 -4.068 1.585) 4.368 32.143 ( 3.932 -1.841 -1.671) 4.652 32.273 ( 0.252 1.089 0.547) 1.245 32.405 ( -4.942 4.271 0.922) 6.596 32.425 ( -2.148 3.257 -0.841) 3.991 32.658 ( 13.446 7.475 2.464) 15.580 33.097 ( -11.912 -7.835 -0.367) 14.263 34.365 ( -0.474 2.554 -0.421) 2.631 34.638 ( 1.509 -3.393 -2.213) 4.323 34.865 ( 1.358 10.779 1.726) 11.001 35.306 ( -6.500 -6.484 -1.570) 9.315 35.693 ( 2.214 0.433 -0.370) 2.286 35.932 ( -4.847 3.405 -0.812) 5.979 36.719 ( 20.733 -7.374 -1.089) 22.032 37.137 ( -15.005 -14.517 0.655) 20.888 ======================= Grid point 17 (13/95) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( -0.000 21.249 -0.000) 21.249 0.896 ( -0.000 25.568 -0.000) 25.568 1.372 ( -0.000 32.939 -0.000) 32.939 1.926 ( -0.000 6.720 -0.000) 6.720 2.181 ( -0.000 11.104 -0.000) 11.104 2.512 ( -0.000 7.536 -0.000) 7.536 2.705 ( -0.000 1.021 -0.000) 1.021 2.887 ( 0.000 -3.442 0.000) 3.442 3.122 ( 0.000 -5.697 0.000) 5.697 3.163 ( -0.000 6.246 -0.000) 6.246 3.274 ( 0.000 -1.381 0.000) 1.381 3.518 ( -0.000 2.879 -0.000) 2.879 3.628 ( 0.000 -2.917 0.000) 2.917 3.790 ( -0.000 0.110 -0.000) 0.110 3.820 ( -0.000 4.902 -0.000) 4.902 4.017 ( -0.000 0.089 -0.000) 0.089 4.134 ( -0.000 2.377 -0.000) 2.377 4.146 ( -0.000 6.150 -0.000) 6.150 4.255 ( 0.000 -0.696 0.000) 0.696 4.385 ( -0.000 1.810 -0.000) 1.810 4.475 ( -0.000 3.948 -0.000) 3.948 4.544 ( -0.000 2.006 -0.000) 2.006 4.727 ( 0.000 -5.709 0.000) 5.709 4.807 ( -0.000 2.598 -0.000) 2.598 4.907 ( -0.000 8.858 -0.000) 8.858 4.973 ( 0.000 -2.602 0.000) 2.602 5.220 ( 0.000 -2.250 0.000) 2.250 5.228 ( -0.000 7.816 -0.000) 7.816 5.517 ( 0.000 -2.921 0.000) 2.921 5.907 ( 0.000 -5.802 0.000) 5.802 6.155 ( 0.000 -3.693 0.000) 3.693 6.173 ( 0.000 -4.510 0.000) 4.510 6.557 ( 0.000 -9.888 0.000) 9.888 6.591 ( 0.000 -4.288 0.000) 4.288 7.337 ( 0.000 -1.721 0.000) 1.721 7.351 ( 0.000 -1.768 0.000) 1.768 7.607 ( -0.000 1.593 -0.000) 1.593 7.677 ( -0.000 1.586 -0.000) 1.586 7.902 ( -0.000 6.465 -0.000) 6.465 8.116 ( 0.000 -7.288 0.000) 7.288 8.391 ( 0.000 -7.105 0.000) 7.105 8.487 ( 0.000 -0.879 0.000) 0.879 8.612 ( -0.000 1.741 -0.000) 1.741 8.755 ( 0.000 -0.853 0.000) 0.853 8.855 ( 0.000 -3.076 0.000) 3.076 8.995 ( 0.000 -4.409 0.000) 4.409 9.444 ( 0.000 -8.470 0.000) 8.470 9.719 ( 0.000 -6.052 0.000) 6.052 10.089 ( 0.000 -0.069 0.000) 0.069 10.117 ( 0.000 -3.824 0.000) 3.824 10.190 ( -0.000 2.286 -0.000) 2.286 10.494 ( 0.000 -0.375 0.000) 0.375 10.810 ( -0.000 0.693 -0.000) 0.693 10.997 ( -0.000 7.347 -0.000) 7.347 11.002 ( -0.000 0.301 -0.000) 0.301 11.075 ( -0.000 4.333 -0.000) 4.333 12.106 ( 0.000 -4.850 0.000) 4.850 12.172 ( 0.000 -4.578 0.000) 4.578 12.859 ( 0.000 -4.357 0.000) 4.357 12.993 ( 0.000 -4.408 0.000) 4.408 13.016 ( 0.000 -2.898 0.000) 2.898 13.273 ( 0.000 -0.951 0.000) 0.951 13.612 ( 0.000 -0.442 0.000) 0.442 13.633 ( -0.000 1.417 -0.000) 1.417 13.688 ( -0.000 2.487 -0.000) 2.487 14.050 ( -0.000 2.179 -0.000) 2.179 14.409 ( -0.000 7.015 -0.000) 7.015 14.668 ( -0.000 6.275 -0.000) 6.275 14.735 ( -0.000 7.635 -0.000) 7.635 14.802 ( -0.000 1.811 -0.000) 1.811 15.009 ( -0.000 1.812 -0.000) 1.812 15.309 ( -0.000 6.049 -0.000) 6.049 15.333 ( -0.000 0.530 -0.000) 0.530 15.475 ( -0.000 2.465 -0.000) 2.465 16.527 ( 0.000 -4.331 0.000) 4.331 16.702 ( -0.000 0.387 -0.000) 0.387 16.774 ( -0.000 2.763 -0.000) 2.763 16.954 ( 0.000 -1.109 0.000) 1.109 17.002 ( 0.000 -0.857 0.000) 0.857 17.044 ( -0.000 5.237 -0.000) 5.237 17.067 ( -0.000 2.020 -0.000) 2.020 17.276 ( 0.000 -0.191 0.000) 0.191 19.634 ( -0.000 1.039 -0.000) 1.039 19.837 ( -0.000 1.284 -0.000) 1.284 21.445 ( 0.000 -4.036 0.000) 4.036 21.566 ( 0.000 -3.259 0.000) 3.259 23.088 ( 0.000 -4.322 0.000) 4.322 23.334 ( -0.000 1.426 -0.000) 1.426 27.742 ( -0.000 1.545 -0.000) 1.545 28.110 ( 0.000 -4.010 0.000) 4.010 29.283 ( -0.000 4.550 -0.000) 4.550 29.561 ( -0.000 3.244 -0.000) 3.244 29.816 ( 0.000 -0.881 0.000) 0.881 29.987 ( 0.000 -2.955 0.000) 2.955 30.850 ( -0.000 3.948 -0.000) 3.948 31.064 ( 0.000 -1.962 0.000) 1.962 31.404 ( -0.000 6.765 -0.000) 6.765 31.555 ( 0.000 -3.052 0.000) 3.052 31.922 ( 0.000 -0.227 0.000) 0.227 32.002 ( 0.000 -3.778 0.000) 3.778 32.194 ( 0.000 -1.292 0.000) 1.292 32.257 ( -0.000 0.563 -0.000) 0.563 32.305 ( -0.000 3.433 -0.000) 3.433 32.361 ( -0.000 3.282 -0.000) 3.282 32.595 ( -0.000 8.433 -0.000) 8.433 33.171 ( 0.000 -7.809 0.000) 7.809 34.330 ( -0.000 1.263 -0.000) 1.263 34.688 ( -0.000 10.643 -0.000) 10.643 34.700 ( 0.000 -3.166 0.000) 3.166 35.359 ( 0.000 -3.893 0.000) 3.893 35.698 ( -0.000 0.324 -0.000) 0.324 35.865 ( -0.000 1.322 -0.000) 1.322 36.889 ( 0.000 -2.244 0.000) 2.244 37.382 ( 0.000 -21.012 0.000) 21.012 ======================= Grid point 20 (14/95) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 13.813 -0.000 4.066) 14.399 0.881 ( 19.112 -0.000 2.185) 19.237 1.897 ( 10.028 -0.000 -1.644) 10.162 1.921 ( 16.484 -0.000 5.877) 17.501 2.099 ( 27.538 -0.000 2.747) 27.675 2.872 ( -1.735 0.000 1.314) 2.177 2.914 ( -1.594 0.000 -5.438) 5.667 2.979 ( -2.538 0.000 -3.543) 4.358 3.005 ( 15.351 -0.000 2.290) 15.521 3.300 ( 2.140 -0.000 2.868) 3.579 3.373 ( 3.583 -0.000 4.578) 5.813 3.436 ( -0.084 0.000 7.744) 7.744 3.681 ( -3.946 0.000 -6.850) 7.905 3.725 ( -2.185 0.000 -10.516) 10.741 3.780 ( -0.542 0.000 2.618) 2.673 4.008 ( 4.216 -0.000 1.352) 4.428 4.057 ( -1.199 0.000 -10.353) 10.422 4.105 ( 2.153 -0.000 6.505) 6.852 4.238 ( -0.219 0.000 0.733) 0.765 4.371 ( -4.773 0.000 -4.616) 6.640 4.466 ( 4.653 -0.000 3.508) 5.827 4.509 ( 10.912 -0.000 1.440) 11.007 4.761 ( -2.444 0.000 0.731) 2.551 4.804 ( 7.845 -0.000 -6.446) 10.153 4.910 ( -5.045 0.000 -0.937) 5.132 5.100 ( -3.163 0.000 2.695) 4.155 5.239 ( 2.078 -0.000 -2.544) 3.284 5.380 ( 1.125 -0.000 -7.215) 7.303 5.618 ( 1.169 -0.000 -1.391) 1.817 5.689 ( 0.053 -0.000 5.132) 5.132 5.805 ( -12.215 0.000 3.756) 12.779 5.890 ( -6.277 0.000 -0.355) 6.288 6.104 ( -8.102 0.000 -0.988) 8.162 6.333 ( -15.333 0.000 -0.357) 15.337 7.192 ( -9.084 0.000 -9.296) 12.997 7.418 ( 0.667 -0.000 0.911) 1.130 7.588 ( 1.458 -0.000 -0.578) 1.568 7.685 ( 0.807 -0.000 12.089) 12.116 7.846 ( -0.916 0.000 4.243) 4.341 7.913 ( -4.262 0.000 2.251) 4.819 8.286 ( -5.279 0.000 1.658) 5.533 8.439 ( -3.163 0.000 -2.306) 3.914 8.806 ( 3.945 -0.000 1.628) 4.268 8.850 ( 3.500 -0.000 0.406) 3.524 9.054 ( 0.596 -0.000 4.245) 4.287 9.107 ( 6.323 -0.000 2.812) 6.920 9.434 ( -7.134 0.000 -1.316) 7.254 9.660 ( -7.004 0.000 -1.611) 7.187 9.949 ( -6.199 0.000 5.547) 8.318 9.950 ( -9.625 0.000 -3.703) 10.313 10.163 ( 0.739 -0.000 -4.502) 4.562 10.529 ( 6.357 -0.000 -0.343) 6.366 10.806 ( -1.924 0.000 3.176) 3.713 10.808 ( -0.278 0.000 0.325) 0.427 11.264 ( 11.302 -0.000 4.509) 12.168 11.358 ( 9.952 -0.000 -4.701) 11.006 12.055 ( -7.247 0.000 -1.062) 7.325 12.057 ( -6.274 0.000 1.542) 6.461 12.889 ( -4.667 0.000 -0.870) 4.747 13.009 ( 0.870 -0.000 1.573) 1.798 13.043 ( -5.190 0.000 3.068) 6.029 13.185 ( -2.808 0.000 -4.620) 5.406 13.593 ( 5.231 -0.000 -3.737) 6.428 13.690 ( 1.358 -0.000 2.479) 2.826 13.773 ( -3.712 0.000 -4.704) 5.992 14.163 ( -3.216 0.000 10.579) 11.057 14.631 ( 15.453 -0.000 1.084) 15.491 14.643 ( 15.422 -0.000 -3.442) 15.801 14.856 ( 0.065 -0.000 -5.373) 5.373 14.979 ( 1.343 -0.000 1.727) 2.188 15.334 ( 18.757 -0.000 -4.816) 19.365 15.604 ( 11.219 -0.000 -2.085) 11.411 15.645 ( 6.952 -0.000 5.654) 8.961 16.227 ( -9.261 0.000 -0.509) 9.275 16.481 ( -9.135 0.000 3.043) 9.629 16.652 ( -1.112 0.000 -1.643) 1.984 16.760 ( 1.258 -0.000 -2.397) 2.707 16.840 ( 1.093 -0.000 -0.202) 1.111 16.988 ( -2.098 0.000 1.520) 2.590 17.060 ( 4.069 -0.000 -10.877) 11.613 17.134 ( -3.578 0.000 1.275) 3.798 17.139 ( 4.538 -0.000 -4.761) 6.577 19.799 ( 10.198 -0.000 -3.735) 10.860 19.928 ( 9.065 -0.000 2.373) 9.370 21.426 ( -8.166 0.000 0.390) 8.175 21.517 ( -5.778 0.000 -0.702) 5.821 22.772 ( -8.996 0.000 0.857) 9.037 23.143 ( -5.105 0.000 -2.119) 5.527 27.849 ( 1.728 -0.000 -12.384) 12.504 28.187 ( -3.924 0.000 8.222) 9.111 29.642 ( 11.034 -0.000 -5.306) 12.244 29.724 ( 0.113 -0.000 7.225) 7.226 29.858 ( -0.020 0.000 1.735) 1.735 29.951 ( -4.222 0.000 -2.464) 4.888 30.971 ( 6.682 -0.000 -6.411) 9.260 31.037 ( 0.319 -0.000 0.605) 0.684 31.184 ( -1.486 0.000 3.962) 4.232 31.201 ( 0.188 -0.000 0.112) 0.219 31.800 ( -3.878 0.000 -1.323) 4.097 31.967 ( 3.510 -0.000 0.250) 3.519 32.096 ( -6.742 0.000 -0.029) 6.742 32.133 ( 1.809 -0.000 -0.732) 1.952 32.364 ( 4.551 -0.000 1.210) 4.709 32.414 ( 8.311 -0.000 -0.318) 8.317 32.607 ( 6.278 -0.000 -1.684) 6.500 33.459 ( -1.624 0.000 -10.361) 10.487 34.365 ( 2.897 -0.000 -3.786) 4.767 34.370 ( -2.824 0.000 -1.690) 3.291 34.685 ( -8.549 0.000 14.574) 16.896 35.434 ( -6.732 0.000 4.695) 8.208 35.951 ( 7.622 -0.000 -0.472) 7.637 36.074 ( 12.265 -0.000 -7.215) 14.230 37.083 ( -12.215 0.000 18.432) 22.112 37.570 ( -8.414 0.000 -2.107) 8.674 ======================= Grid point 21 (15/95) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 13.229 -15.340 -3.354) 20.532 1.147 ( 11.174 -14.762 7.399) 19.938 1.968 ( 5.665 -0.374 1.711) 5.930 2.090 ( 8.337 -6.954 0.034) 10.857 2.375 ( 25.544 3.931 6.038) 26.541 2.729 ( -0.416 7.325 -3.434) 8.101 2.924 ( -2.429 2.595 -1.729) 3.953 2.952 ( -3.129 -2.585 -5.442) 6.789 3.141 ( 11.589 0.902 3.419) 12.117 3.288 ( 4.521 5.149 3.931) 7.900 3.399 ( -0.561 0.531 2.546) 2.661 3.457 ( -1.350 -0.319 8.417) 8.530 3.620 ( -3.686 -1.005 -3.191) 4.977 3.681 ( -5.217 -2.569 -2.652) 6.391 3.870 ( -0.855 -8.804 -2.151) 9.103 4.028 ( -1.353 -2.518 -10.972) 11.338 4.062 ( 3.493 -0.453 -1.540) 3.844 4.209 ( 8.670 -2.803 5.078) 10.431 4.276 ( 0.302 -3.611 2.285) 4.284 4.305 ( 2.408 1.545 -5.457) 6.162 4.525 ( 7.451 1.376 1.311) 7.689 4.601 ( 3.973 -0.082 0.434) 3.998 4.730 ( 0.769 1.300 1.259) 1.966 4.856 ( -4.162 -1.250 0.593) 4.386 4.914 ( 5.585 -3.312 -2.502) 6.959 5.039 ( -1.535 8.436 0.270) 8.579 5.105 ( 1.806 2.161 -3.631) 4.596 5.464 ( -2.970 -1.297 -1.811) 3.712 5.568 ( -1.259 3.060 3.100) 4.534 5.668 ( -0.948 -0.247 1.210) 1.557 5.784 ( -7.189 2.116 3.052) 8.091 5.875 ( -5.582 -5.245 -2.983) 8.220 6.011 ( -6.963 -2.545 -3.001) 7.998 6.267 ( -13.680 -7.172 0.729) 15.463 7.103 ( -8.235 -3.062 -8.334) 12.110 7.429 ( 0.717 -0.261 -2.189) 2.318 7.525 ( 0.139 5.040 3.618) 6.206 7.816 ( 1.322 -7.156 7.676) 10.577 7.838 ( -2.602 0.882 6.198) 6.780 7.875 ( -3.100 0.228 -0.137) 3.111 8.248 ( -3.662 0.528 0.923) 3.813 8.366 ( -2.169 3.991 -2.361) 5.119 8.859 ( 1.291 -1.712 -0.984) 2.359 8.883 ( 5.274 0.803 -0.198) 5.338 9.043 ( 0.151 3.010 4.188) 5.160 9.164 ( 4.669 1.227 4.129) 6.352 9.334 ( -5.290 3.336 -1.908) 6.538 9.559 ( -7.688 3.107 -0.734) 8.324 9.830 ( -8.356 1.914 -2.637) 8.969 9.916 ( -6.023 -0.925 4.395) 7.513 10.164 ( -1.252 -1.440 -4.955) 5.310 10.573 ( 4.771 1.571 -0.081) 5.024 10.801 ( -1.269 0.075 2.994) 3.253 10.834 ( 2.234 -2.344 -0.224) 3.246 11.388 ( 10.424 -0.342 4.082) 11.200 11.449 ( 9.296 -1.454 -4.171) 10.292 11.974 ( -6.506 1.312 -1.567) 6.820 11.996 ( -5.018 0.752 1.565) 5.310 12.829 ( -4.028 1.881 -0.005) 4.445 12.897 ( -2.436 6.756 2.082) 7.478 13.079 ( -5.452 -2.606 2.190) 6.427 13.178 ( -0.438 -3.287 -5.578) 6.489 13.629 ( 6.191 0.804 -4.628) 7.771 13.700 ( 1.707 0.923 0.647) 2.045 13.719 ( -3.318 1.357 0.251) 3.594 14.126 ( -4.804 2.210 8.408) 9.933 14.735 ( 13.262 3.382 0.033) 13.686 14.784 ( 12.338 0.670 -0.597) 12.371 14.837 ( 3.640 1.697 -6.149) 7.344 15.025 ( 0.602 -3.694 1.930) 4.211 15.504 ( 16.686 -0.005 -2.225) 16.834 15.691 ( 10.256 1.188 -2.284) 10.575 15.739 ( 7.821 -0.953 4.489) 9.068 16.026 ( -4.423 11.447 -0.257) 12.275 16.401 ( -5.980 -0.223 1.972) 6.301 16.673 ( -1.979 -2.680 2.026) 3.899 16.773 ( -0.896 -0.741 -1.504) 1.901 16.850 ( 1.300 -0.757 -1.135) 1.884 16.989 ( -2.347 -2.218 0.409) 3.255 17.069 ( 1.605 -0.553 -2.621) 3.122 17.094 ( -2.574 0.977 -1.263) 3.030 17.177 ( 3.088 -1.147 -4.409) 5.504 19.837 ( 10.696 4.859 -2.037) 11.923 20.037 ( 8.803 -0.596 1.549) 8.958 21.319 ( -9.207 2.567 1.117) 9.624 21.454 ( -6.875 0.039 -1.331) 7.003 22.719 ( -7.668 -2.829 0.611) 8.196 23.123 ( -4.759 -3.786 -1.895) 6.370 27.823 ( 0.696 0.630 -6.753) 6.818 28.154 ( -4.035 2.048 6.455) 7.882 29.642 ( 2.804 7.605 3.762) 8.936 29.715 ( 6.444 2.342 -2.428) 7.273 29.866 ( 1.667 0.343 -0.068) 1.703 29.953 ( -2.155 -3.496 -0.910) 4.207 30.965 ( 5.607 1.709 -1.827) 6.140 31.133 ( 0.097 2.720 2.438) 3.654 31.185 ( -0.548 -9.296 -2.977) 9.776 31.276 ( -2.091 -7.236 1.376) 7.657 31.768 ( -2.400 -0.650 -0.341) 2.510 31.945 ( 0.040 4.534 -1.037) 4.651 32.035 ( -5.433 -0.408 -0.846) 5.514 32.162 ( 1.474 -0.771 0.491) 1.734 32.435 ( 6.167 -1.530 1.572) 6.546 32.489 ( 7.643 -0.219 -2.383) 8.009 32.669 ( 4.757 -0.759 0.984) 4.916 33.386 ( -3.489 2.405 -7.295) 8.437 34.359 ( 1.252 -1.626 -2.247) 3.043 34.419 ( -0.229 -4.689 -3.081) 5.615 34.637 ( -7.194 0.962 10.998) 13.177 35.395 ( -9.172 -2.701 3.235) 10.094 36.005 ( 9.823 3.655 1.003) 10.529 36.157 ( 12.246 1.902 -7.024) 14.245 36.867 ( -6.905 15.407 11.332) 20.334 37.484 ( -9.239 1.582 -1.027) 9.429 ======================= Grid point 22 (16/95) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 13.025 -12.986 -1.665) 18.468 1.568 ( 2.370 -20.671 5.627) 21.554 2.035 ( 2.420 -2.619 2.578) 4.400 2.260 ( 8.077 -1.478 -1.925) 8.434 2.433 ( 3.177 3.962 -0.600) 5.114 2.702 ( 13.433 2.065 -2.948) 13.906 2.847 ( 2.683 6.478 -0.867) 7.065 2.926 ( -6.828 -2.508 -2.818) 7.801 3.161 ( 0.156 5.805 0.870) 5.872 3.242 ( 7.920 6.588 3.166) 10.778 3.384 ( -4.948 -2.295 5.612) 7.826 3.479 ( 0.338 0.094 4.987) 4.999 3.636 ( -3.569 -3.092 -2.776) 5.478 3.703 ( -1.802 -4.150 3.255) 5.574 3.979 ( -4.042 -8.258 -0.115) 9.195 4.058 ( 1.784 -1.177 -6.811) 7.138 4.084 ( 1.070 -2.718 -4.762) 5.587 4.251 ( -1.160 -1.994 -4.748) 5.279 4.355 ( -0.464 -3.877 3.638) 5.337 4.426 ( 11.488 -0.859 4.902) 12.520 4.500 ( -2.107 2.955 -3.899) 5.327 4.643 ( 5.225 -0.780 -0.691) 5.328 4.727 ( -1.019 -0.593 -0.274) 1.210 4.880 ( -1.043 -0.312 3.688) 3.845 4.938 ( 5.991 0.832 1.385) 6.205 4.998 ( 5.462 2.607 1.760) 6.303 5.097 ( -0.159 -1.487 -8.537) 8.667 5.351 ( -4.692 4.347 0.553) 6.420 5.516 ( 0.701 5.905 3.449) 6.874 5.671 ( -0.598 -0.661 -2.543) 2.695 5.756 ( -1.906 -3.453 2.488) 4.663 5.880 ( -3.584 -3.814 1.924) 5.576 6.018 ( -5.352 -3.175 -5.758) 8.478 6.265 ( -12.275 -6.392 1.619) 13.934 7.109 ( -4.602 -7.738 -6.679) 11.210 7.395 ( -0.271 3.586 -0.959) 3.722 7.512 ( 0.622 -2.171 1.556) 2.743 7.793 ( -4.551 2.705 8.603) 10.102 7.830 ( 1.031 1.604 -5.432) 5.757 7.997 ( -0.042 -9.734 7.217) 12.118 8.166 ( -0.535 7.684 -1.325) 7.816 8.301 ( -4.157 -1.274 -0.304) 4.358 8.853 ( 3.328 5.035 -1.555) 6.232 8.916 ( 4.021 1.342 -0.975) 4.349 8.997 ( -1.995 1.041 1.624) 2.775 9.138 ( -2.910 3.853 3.104) 5.740 9.247 ( -0.896 4.725 -0.551) 4.841 9.439 ( -3.072 3.415 1.001) 4.701 9.726 ( -7.205 0.047 -2.898) 7.766 9.910 ( -2.581 -1.922 4.434) 5.478 10.148 ( -2.687 -0.880 -5.298) 6.005 10.570 ( 1.724 2.290 1.207) 3.110 10.796 ( -1.981 -0.564 1.299) 2.435 10.913 ( 5.582 -2.057 -0.176) 5.951 11.470 ( 7.948 2.252 1.543) 8.403 11.543 ( 6.352 -0.832 -1.681) 6.623 11.894 ( -4.875 0.622 -1.877) 5.261 11.956 ( -3.555 -0.103 1.808) 3.989 12.757 ( -6.102 1.791 2.096) 6.695 12.793 ( 4.120 5.478 -0.501) 6.872 13.054 ( -5.816 -1.425 -0.456) 6.006 13.208 ( -3.089 -2.567 -2.522) 4.743 13.658 ( 3.341 0.907 -2.974) 4.564 13.670 ( 0.588 2.313 5.518) 6.011 13.709 ( 2.416 -0.110 -4.153) 4.806 14.065 ( -4.570 2.101 5.446) 7.413 14.781 ( 7.830 3.039 -0.414) 8.409 14.806 ( 4.503 2.315 -2.778) 5.776 14.870 ( 13.742 4.941 -3.389) 14.991 15.108 ( 0.446 -4.038 3.138) 5.133 15.594 ( 7.269 3.025 0.992) 7.935 15.745 ( 7.487 1.897 -2.760) 8.201 15.812 ( 1.177 6.258 2.791) 6.953 15.837 ( 2.926 3.767 -0.359) 4.783 16.405 ( -1.365 -3.795 1.896) 4.457 16.698 ( 0.009 0.227 2.333) 2.344 16.755 ( -2.740 -0.876 -0.776) 2.980 16.894 ( 0.915 -3.490 -1.279) 3.828 16.997 ( -2.837 -0.789 0.049) 2.945 17.051 ( -2.803 -0.058 -1.311) 3.095 17.096 ( 0.201 -1.727 0.921) 1.968 17.207 ( 2.417 -0.642 -4.109) 4.810 19.842 ( 8.526 5.175 -0.764) 10.003 20.100 ( 6.635 2.388 0.834) 7.101 21.196 ( -8.076 2.074 1.240) 8.430 21.386 ( -6.086 -0.165 -1.482) 6.266 22.722 ( -5.544 -4.758 0.420) 7.318 23.160 ( -2.972 -5.343 -1.206) 6.232 27.812 ( 0.305 -0.502 -2.936) 2.994 28.085 ( -2.911 3.766 3.588) 5.961 29.575 ( 1.112 3.576 2.423) 4.461 29.711 ( 2.469 1.890 -1.214) 3.338 29.860 ( 3.488 3.206 -0.590) 4.774 29.999 ( 0.638 -1.975 -0.506) 2.136 30.994 ( 4.269 0.435 -1.167) 4.447 31.108 ( 1.076 1.726 2.016) 2.864 31.278 ( -1.402 -4.827 1.314) 5.196 31.417 ( -2.910 -11.464 -2.399) 12.068 31.775 ( 1.142 0.001 1.080) 1.572 31.850 ( -2.931 3.085 -1.879) 4.652 31.992 ( -4.010 0.101 -2.044) 4.502 32.192 ( 2.508 -0.693 1.923) 3.235 32.516 ( 4.864 -0.826 1.127) 5.061 32.550 ( 6.380 -0.130 -3.731) 7.392 32.708 ( 1.562 0.804 2.884) 3.377 33.283 ( -4.231 3.183 -4.782) 7.135 34.412 ( 3.365 -2.128 -2.792) 4.863 34.512 ( -1.389 -8.691 -1.718) 8.968 34.586 ( -5.705 0.909 7.562) 9.516 35.357 ( -10.593 -2.786 1.844) 11.108 36.001 ( 6.982 7.587 1.042) 10.363 36.211 ( 13.406 3.247 -4.406) 14.480 36.597 ( -0.199 14.946 5.571) 15.951 37.327 ( -10.141 5.470 -0.429) 11.530 ======================= Grid point 23 (17/95) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 9.080 -7.766 -1.543) 12.047 1.842 ( 0.902 -9.050 8.132) 12.200 2.103 ( -1.335 -2.656 -2.255) 3.732 2.250 ( 8.073 4.592 2.827) 9.708 2.460 ( -1.052 -4.687 -6.552) 8.124 2.669 ( 3.310 16.303 -0.059) 16.636 2.754 ( 1.644 3.940 -8.344) 9.373 2.944 ( -2.036 -5.662 2.014) 6.345 3.139 ( 0.244 -5.116 4.802) 7.021 3.215 ( 6.397 5.588 0.524) 8.510 3.435 ( -1.124 -3.861 4.892) 6.333 3.452 ( -0.421 2.854 0.686) 2.965 3.587 ( -5.696 0.803 -4.789) 7.485 3.793 ( 1.765 -3.213 5.438) 6.558 4.002 ( -1.067 4.331 0.969) 4.564 4.090 ( -1.515 -5.428 -4.514) 7.221 4.166 ( -0.592 -6.780 -1.403) 6.949 4.228 ( -4.043 1.581 -2.977) 5.264 4.377 ( -6.392 -1.594 3.205) 7.325 4.423 ( -3.639 0.270 0.283) 3.660 4.528 ( 4.693 -2.698 1.974) 5.762 4.667 ( 4.472 7.267 1.465) 8.658 4.755 ( 0.382 -2.695 -3.806) 4.679 4.845 ( -0.200 0.107 2.069) 2.081 4.982 ( 1.928 1.126 0.227) 2.244 5.060 ( 3.518 -1.906 0.767) 4.074 5.093 ( 2.121 -0.552 -5.120) 5.569 5.314 ( 6.109 0.202 2.090) 6.460 5.486 ( 4.310 1.553 0.021) 4.581 5.668 ( -0.840 -1.266 -2.154) 2.635 5.812 ( 1.547 -2.361 0.534) 2.873 5.941 ( -2.189 -5.242 2.678) 6.280 5.968 ( -4.843 0.750 -3.382) 5.955 6.261 ( -11.241 -6.253 1.553) 12.957 7.207 ( -1.822 -7.474 -4.271) 8.799 7.356 ( -0.298 -1.234 0.703) 1.451 7.590 ( 2.486 -4.436 0.288) 5.093 7.711 ( -1.772 4.776 1.027) 5.196 7.820 ( 0.344 -0.938 0.719) 1.231 8.001 ( -0.482 10.051 -1.086) 10.120 8.187 ( 0.864 -10.370 3.912) 11.117 8.311 ( -5.168 -5.041 0.317) 7.226 8.729 ( 1.660 11.346 -1.420) 11.555 8.906 ( 2.483 2.855 -0.407) 3.805 8.997 ( -1.103 1.030 0.085) 1.511 9.053 ( -2.095 3.336 0.636) 3.990 9.117 ( -5.038 3.716 -0.404) 6.273 9.407 ( 3.126 2.303 2.210) 4.467 9.698 ( -4.218 -4.384 -1.845) 6.357 9.953 ( 0.761 -2.461 3.659) 4.475 10.126 ( -1.858 -1.464 -5.034) 5.562 10.546 ( 0.222 2.053 1.752) 2.708 10.791 ( -2.393 -1.191 0.047) 2.674 10.991 ( 6.089 -0.371 0.008) 6.100 11.469 ( 4.483 5.358 1.023) 7.060 11.548 ( 0.243 3.924 -1.401) 4.174 11.862 ( -2.558 -1.662 -1.955) 3.623 11.944 ( -2.335 -1.264 2.069) 3.366 12.693 ( -2.481 0.875 2.185) 3.420 12.790 ( 7.295 1.783 -1.533) 7.664 13.026 ( -4.659 -1.423 -1.171) 5.010 13.182 ( -7.324 -1.105 0.496) 7.424 13.629 ( -1.209 1.620 4.215) 4.675 13.709 ( 7.497 0.650 -4.829) 8.942 13.721 ( 1.867 -0.147 -1.094) 2.169 14.005 ( -5.075 1.015 3.422) 6.205 14.791 ( 4.545 2.124 0.117) 5.019 14.807 ( 6.932 3.433 -3.346) 8.428 14.901 ( 14.350 6.135 -1.793) 15.709 15.164 ( -2.641 -2.393 3.144) 4.753 15.556 ( 0.574 6.000 1.307) 6.167 15.644 ( -5.352 7.482 -0.410) 9.208 15.754 ( 3.643 3.513 -2.952) 5.859 15.822 ( 1.799 5.389 2.504) 6.208 16.494 ( 2.421 -4.784 0.787) 5.419 16.654 ( -1.821 3.254 1.247) 3.932 16.782 ( -0.300 -3.308 -0.278) 3.334 16.958 ( -0.971 -0.306 -0.660) 1.214 16.969 ( -0.677 -2.260 -0.244) 2.372 17.038 ( -3.193 -1.943 0.054) 3.738 17.132 ( 0.209 -1.766 1.375) 2.248 17.215 ( 0.972 0.428 -2.892) 3.081 19.815 ( 4.309 5.271 -0.211) 6.811 20.088 ( 3.266 4.705 0.301) 5.735 21.132 ( -4.098 -1.434 0.964) 4.448 21.350 ( -3.568 -1.730 -1.145) 4.127 22.769 ( -3.351 -5.646 0.315) 6.573 23.226 ( -1.024 -4.897 -0.563) 5.034 27.827 ( 0.185 -1.620 -1.099) 1.967 28.003 ( -1.556 4.090 1.459) 4.612 29.544 ( -0.110 1.548 -0.114) 1.556 29.705 ( 0.535 0.340 -0.168) 0.656 29.838 ( 4.903 3.877 1.171) 6.360 29.998 ( -1.332 1.593 -0.775) 2.217 31.013 ( 2.276 0.945 -0.919) 2.630 31.099 ( 1.258 1.568 1.353) 2.423 31.364 ( -0.082 -6.042 2.478) 6.531 31.559 ( -3.524 -9.664 -3.163) 10.761 31.738 ( 3.265 4.913 -0.539) 5.923 31.837 ( -1.534 -1.470 1.510) 2.606 31.956 ( -3.382 -2.131 -3.104) 5.061 32.254 ( 4.721 -1.665 2.774) 5.723 32.550 ( 1.993 0.948 0.367) 2.237 32.587 ( 3.762 0.363 -4.519) 5.891 32.687 ( -0.720 2.792 3.647) 4.649 33.179 ( -4.138 3.374 -2.395) 5.852 34.460 ( 2.840 -0.777 -3.237) 4.376 34.539 ( -3.755 0.641 4.828) 6.150 34.683 ( -0.474 -12.371 -0.212) 12.382 35.291 ( -10.462 -0.704 0.502) 10.497 35.899 ( 3.609 9.541 0.248) 10.203 36.302 ( 16.090 1.278 -2.525) 16.337 36.391 ( 1.581 12.842 3.071) 13.298 37.131 ( -11.563 4.986 -0.102) 12.593 ======================= Grid point 24 (18/95) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -1.300 13.202 -0.154) 13.267 1.957 ( 4.787 6.884 5.351) 9.947 2.107 ( -1.338 6.210 0.007) 6.353 2.313 ( 0.382 -11.167 -2.830) 11.526 2.404 ( 0.635 10.490 0.373) 10.516 2.521 ( 1.160 0.184 -1.633) 2.012 2.719 ( 2.063 -4.204 -4.362) 6.400 3.063 ( 1.564 -6.115 2.108) 6.655 3.123 ( 1.478 6.387 -1.745) 6.784 3.211 ( -4.178 4.366 1.889) 6.331 3.354 ( 0.532 6.560 -0.910) 6.644 3.524 ( -1.714 -3.651 -2.220) 4.603 3.597 ( 3.106 -7.549 3.348) 8.823 3.797 ( -3.017 6.598 0.501) 7.272 3.931 ( -2.274 -1.423 0.959) 2.849 4.091 ( -2.662 2.535 1.722) 4.059 4.132 ( -0.277 0.579 -6.587) 6.618 4.256 ( -1.165 -1.362 3.511) 3.942 4.394 ( -0.393 -3.984 -3.730) 5.472 4.412 ( -4.357 -2.908 5.179) 7.367 4.548 ( 1.947 7.365 1.632) 7.791 4.621 ( 1.649 -1.603 2.767) 3.598 4.735 ( -1.437 3.628 -3.412) 5.183 4.897 ( 0.773 -3.506 0.127) 3.593 4.922 ( 0.019 2.446 -0.154) 2.451 5.049 ( 0.109 4.593 -1.816) 4.940 5.215 ( 2.421 -9.632 3.319) 10.471 5.362 ( 3.681 4.702 -1.636) 6.192 5.509 ( 5.388 2.362 -0.578) 5.911 5.712 ( -2.062 -6.741 -2.045) 7.340 5.863 ( 3.548 -0.732 -1.267) 3.838 5.935 ( 0.477 -2.448 -0.392) 2.525 6.043 ( 2.012 -6.541 2.886) 7.427 6.273 ( -10.390 -7.353 0.159) 12.729 7.251 ( -0.999 -1.946 -1.022) 2.415 7.456 ( 0.665 -7.953 -0.749) 8.016 7.575 ( -0.551 7.406 1.961) 7.681 7.732 ( 2.623 -6.444 -2.298) 7.327 7.829 ( 0.391 7.291 -0.288) 7.307 7.895 ( 0.102 -5.071 2.384) 5.604 8.321 ( -2.856 -5.688 -1.804) 6.616 8.426 ( 0.507 -11.016 3.581) 11.595 8.528 ( 0.136 12.383 -1.967) 12.539 8.838 ( -3.102 5.728 0.447) 6.529 8.910 ( 0.149 4.714 -0.811) 4.786 8.958 ( -1.429 4.919 0.515) 5.148 9.140 ( 0.155 -4.923 -0.710) 4.976 9.424 ( 2.522 -0.957 1.353) 3.018 9.777 ( -0.620 -7.648 -0.653) 7.701 10.006 ( 0.238 -2.005 1.290) 2.396 10.150 ( 0.797 -3.141 -2.366) 4.012 10.519 ( -0.520 1.507 1.063) 1.916 10.793 ( -1.503 -1.383 -0.064) 2.044 11.035 ( 4.908 1.270 -0.296) 5.078 11.388 ( -0.159 7.040 1.581) 7.217 11.427 ( -2.786 7.543 -1.610) 8.200 11.885 ( -0.490 -3.245 -1.154) 3.479 11.966 ( -0.524 -2.376 1.266) 2.743 12.695 ( 0.268 -1.267 1.789) 2.209 12.844 ( 7.533 -0.040 -2.482) 7.931 12.986 ( -6.946 0.148 -0.064) 6.947 13.154 ( -4.423 -3.186 1.390) 5.626 13.611 ( 0.251 1.042 1.528) 1.866 13.711 ( 0.538 1.278 -0.178) 1.398 13.767 ( 5.728 0.785 -3.005) 6.516 13.972 ( -3.638 -1.972 1.838) 4.528 14.775 ( 9.715 7.825 -0.699) 12.494 14.828 ( 1.352 -1.775 -0.904) 2.407 14.926 ( 12.872 6.119 -0.907) 14.281 15.134 ( -8.438 1.564 1.995) 8.810 15.406 ( -6.637 9.521 -0.520) 11.618 15.474 ( -3.143 6.236 0.716) 7.020 15.685 ( -1.186 4.831 -1.843) 5.305 15.719 ( 0.665 8.396 1.587) 8.570 16.540 ( 1.672 3.260 -1.073) 3.818 16.638 ( -0.851 -3.779 1.745) 4.248 16.836 ( 0.866 -2.694 -0.709) 2.917 16.917 ( -1.295 1.605 -0.289) 2.083 16.994 ( -1.111 -0.338 -0.141) 1.170 17.085 ( -0.759 -5.086 1.773) 5.440 17.160 ( 1.164 -0.276 0.502) 1.297 17.195 ( -0.871 0.934 -1.816) 2.220 19.755 ( 0.969 4.511 0.007) 4.614 20.018 ( 0.593 5.524 0.043) 5.556 21.170 ( -0.484 -4.982 0.468) 5.028 21.371 ( -1.079 -3.514 -0.612) 3.727 22.844 ( -1.212 -5.707 0.217) 5.838 23.291 ( 0.036 -3.392 -0.167) 3.396 27.849 ( -0.073 -0.184 -0.267) 0.332 27.945 ( -0.438 1.110 0.322) 1.236 29.509 ( -0.308 2.440 -1.041) 2.671 29.703 ( -0.302 0.295 0.222) 0.477 29.831 ( 4.615 3.381 1.418) 5.894 29.934 ( -3.290 1.983 -0.487) 3.872 31.000 ( 0.480 1.703 -0.508) 1.841 31.083 ( 0.657 1.845 0.518) 2.026 31.474 ( 0.826 -4.799 1.260) 5.030 31.620 ( -0.999 -1.155 -1.313) 2.014 31.746 ( 2.749 -2.650 -1.500) 4.102 31.819 ( -2.797 0.200 1.677) 3.267 32.007 ( -0.097 -5.803 -1.454) 5.983 32.325 ( 4.341 0.453 2.068) 4.830 32.530 ( 0.534 2.658 -0.712) 2.803 32.552 ( -3.038 3.387 -1.022) 4.663 32.692 ( 4.636 -2.388 1.500) 5.426 33.067 ( -5.183 4.822 -0.997) 7.149 34.454 ( 0.249 2.219 -1.131) 2.503 34.540 ( -0.695 -2.125 1.138) 2.509 34.901 ( 1.912 -12.349 0.716) 12.517 35.186 ( -8.080 2.584 -0.598) 8.504 35.792 ( 2.533 6.397 0.023) 6.880 36.186 ( -0.352 12.104 -0.685) 12.128 36.479 ( 15.928 -4.142 0.752) 16.475 36.958 ( -12.633 1.820 0.005) 12.764 ======================= Grid point 25 (19/95) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -0.000 19.629 -0.000) 19.629 1.711 ( -0.000 22.551 -0.000) 22.551 1.928 ( -0.000 10.203 -0.000) 10.203 2.345 ( 0.000 -0.020 0.000) 0.020 2.398 ( -0.000 9.625 -0.000) 9.625 2.614 ( 0.000 -15.819 0.000) 15.819 2.814 ( -0.000 0.063 -0.000) 0.063 2.955 ( -0.000 13.651 -0.000) 13.651 3.107 ( 0.000 -0.208 0.000) 0.208 3.140 ( -0.000 7.152 -0.000) 7.152 3.217 ( 0.000 -0.059 0.000) 0.059 3.595 ( 0.000 -3.287 0.000) 3.287 3.639 ( -0.000 6.513 -0.000) 6.513 3.736 ( 0.000 -5.180 0.000) 5.180 3.949 ( -0.000 0.364 -0.000) 0.364 4.031 ( -0.000 2.285 -0.000) 2.285 4.169 ( 0.000 -4.692 0.000) 4.692 4.226 ( -0.000 3.780 -0.000) 3.780 4.375 ( -0.000 2.115 -0.000) 2.115 4.495 ( 0.000 -4.362 0.000) 4.362 4.504 ( -0.000 1.720 -0.000) 1.720 4.607 ( -0.000 2.436 -0.000) 2.436 4.615 ( -0.000 6.846 -0.000) 6.846 4.907 ( 0.000 -0.346 0.000) 0.346 4.957 ( -0.000 6.054 -0.000) 6.054 5.010 ( 0.000 -8.682 0.000) 8.682 5.226 ( -0.000 9.965 -0.000) 9.965 5.396 ( 0.000 -7.133 0.000) 7.133 5.461 ( -0.000 5.371 -0.000) 5.371 5.787 ( 0.000 -3.629 0.000) 3.629 5.949 ( 0.000 -7.143 0.000) 7.143 6.011 ( 0.000 -4.302 0.000) 4.302 6.201 ( 0.000 -8.870 0.000) 8.870 6.346 ( 0.000 -9.010 0.000) 9.010 7.279 ( 0.000 -2.230 0.000) 2.230 7.446 ( -0.000 7.225 -0.000) 7.225 7.571 ( 0.000 -5.029 0.000) 5.029 7.728 ( -0.000 4.127 -0.000) 4.127 7.856 ( 0.000 -6.792 0.000) 6.792 8.044 ( 0.000 -10.666 0.000) 10.666 8.275 ( -0.000 12.808 -0.000) 12.808 8.408 ( 0.000 -3.822 0.000) 3.822 8.650 ( 0.000 -11.948 0.000) 11.948 8.734 ( -0.000 2.856 -0.000) 2.856 8.827 ( -0.000 5.605 -0.000) 5.605 8.877 ( -0.000 3.697 -0.000) 3.697 9.224 ( 0.000 -5.239 0.000) 5.239 9.498 ( 0.000 -5.690 0.000) 5.690 9.910 ( 0.000 -7.991 0.000) 7.991 10.040 ( 0.000 -2.228 0.000) 2.228 10.203 ( 0.000 -2.072 0.000) 2.072 10.496 ( -0.000 0.815 -0.000) 0.815 10.808 ( 0.000 -1.020 0.000) 1.020 11.038 ( -0.000 1.563 -0.000) 1.563 11.260 ( -0.000 7.129 -0.000) 7.129 11.273 ( -0.000 8.476 -0.000) 8.476 11.947 ( 0.000 -4.300 0.000) 4.300 12.018 ( 0.000 -3.806 0.000) 3.806 12.736 ( 0.000 -2.816 0.000) 2.816 12.902 ( -0.000 0.087 -0.000) 0.087 12.929 ( 0.000 -2.077 0.000) 2.077 13.199 ( 0.000 -3.482 0.000) 3.482 13.605 ( -0.000 0.275 -0.000) 0.275 13.687 ( -0.000 1.725 -0.000) 1.725 13.762 ( -0.000 1.951 -0.000) 1.951 14.014 ( 0.000 -3.594 0.000) 3.594 14.694 ( -0.000 8.933 -0.000) 8.933 14.868 ( 0.000 -1.488 0.000) 1.488 14.899 ( -0.000 6.791 -0.000) 6.791 14.992 ( -0.000 6.840 -0.000) 6.840 15.175 ( -0.000 10.579 -0.000) 10.579 15.390 ( -0.000 3.033 -0.000) 3.033 15.576 ( -0.000 9.100 -0.000) 9.100 15.593 ( -0.000 4.638 -0.000) 4.638 16.492 ( -0.000 2.118 -0.000) 2.118 16.692 ( 0.000 -1.867 0.000) 1.867 16.856 ( -0.000 1.283 -0.000) 1.283 16.905 ( 0.000 -1.407 0.000) 1.407 16.989 ( 0.000 -0.030 0.000) 0.030 17.144 ( -0.000 2.532 -0.000) 2.532 17.145 ( 0.000 -0.489 0.000) 0.489 17.201 ( 0.000 -3.233 0.000) 3.233 19.696 ( -0.000 2.966 -0.000) 2.966 19.933 ( -0.000 4.599 -0.000) 4.599 21.266 ( 0.000 -6.136 0.000) 6.136 21.433 ( 0.000 -4.297 0.000) 4.297 22.932 ( 0.000 -5.261 0.000) 5.261 23.333 ( 0.000 -1.626 0.000) 1.626 27.819 ( -0.000 2.744 -0.000) 2.744 27.971 ( 0.000 -3.460 0.000) 3.460 29.449 ( -0.000 4.397 -0.000) 4.397 29.681 ( -0.000 2.577 -0.000) 2.577 29.806 ( -0.000 1.682 -0.000) 1.682 29.910 ( 0.000 -1.016 0.000) 1.016 30.967 ( -0.000 2.441 -0.000) 2.441 31.057 ( -0.000 1.433 -0.000) 1.433 31.519 ( 0.000 -0.646 0.000) 0.646 31.595 ( -0.000 3.937 -0.000) 3.937 31.814 ( 0.000 -4.504 0.000) 4.504 31.851 ( 0.000 -4.739 0.000) 4.739 32.101 ( 0.000 -4.925 0.000) 4.925 32.315 ( -0.000 2.786 -0.000) 2.786 32.452 ( -0.000 4.896 -0.000) 4.896 32.481 ( -0.000 3.723 -0.000) 3.723 32.849 ( 0.000 -9.849 0.000) 9.849 32.906 ( -0.000 9.005 -0.000) 9.005 34.408 ( -0.000 2.872 -0.000) 2.872 34.584 ( 0.000 -3.205 0.000) 3.205 35.041 ( -0.000 8.425 -0.000) 8.425 35.124 ( 0.000 -11.023 0.000) 11.023 35.732 ( -0.000 2.711 -0.000) 2.711 36.003 ( -0.000 8.397 -0.000) 8.397 36.738 ( 0.000 -13.828 0.000) 13.828 36.846 ( -0.000 0.636 -0.000) 0.636 ======================= Grid point 30 (20/95) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 10.280 -0.000 3.195) 10.765 1.195 ( 13.455 -0.000 -1.543) 13.544 2.040 ( 3.475 -0.000 -1.169) 3.666 2.050 ( 3.708 -0.000 4.302) 5.679 2.662 ( 16.362 -0.000 9.235) 18.789 2.809 ( -1.053 0.000 -12.411) 12.456 2.824 ( -1.857 0.000 0.840) 2.038 2.945 ( -0.662 0.000 2.410) 2.499 3.254 ( 4.133 -0.000 4.158) 5.863 3.375 ( 2.402 -0.000 2.956) 3.809 3.438 ( 6.860 -0.000 1.995) 7.144 3.468 ( -1.218 0.000 8.887) 8.970 3.573 ( -2.144 0.000 -6.832) 7.160 3.594 ( -4.692 0.000 -5.320) 7.093 3.773 ( -0.501 0.000 0.538) 0.735 3.927 ( -7.071 0.000 -9.842) 12.119 4.080 ( 1.927 -0.000 -2.272) 2.979 4.245 ( 1.263 -0.000 -4.139) 4.327 4.302 ( 10.125 -0.000 5.052) 11.315 4.363 ( 9.003 -0.000 -0.318) 9.008 4.593 ( 4.468 -0.000 1.127) 4.608 4.618 ( -2.933 0.000 -2.411) 3.797 4.770 ( 2.582 -0.000 3.497) 4.347 4.816 ( -0.813 0.000 5.399) 5.459 4.915 ( 6.998 -0.000 -8.744) 11.199 5.076 ( -0.243 0.000 3.341) 3.350 5.252 ( 0.470 -0.000 -3.788) 3.817 5.342 ( -2.294 0.000 -0.970) 2.491 5.582 ( -4.360 0.000 0.023) 4.360 5.628 ( 1.046 -0.000 -0.249) 1.076 5.789 ( -4.603 0.000 -0.673) 4.652 5.804 ( 1.982 -0.000 1.988) 2.807 5.955 ( -6.513 0.000 0.428) 6.527 6.031 ( -14.964 0.000 0.020) 14.964 6.969 ( -8.607 0.000 -6.692) 10.902 7.426 ( -0.153 0.000 -0.064) 0.165 7.601 ( 0.185 -0.000 -0.428) 0.466 7.747 ( -0.807 0.000 9.674) 9.708 7.840 ( -4.929 0.000 2.148) 5.376 7.846 ( -1.567 0.000 1.990) 2.533 8.228 ( -1.688 0.000 1.036) 1.980 8.393 ( 0.689 -0.000 -3.424) 3.493 8.841 ( 0.621 -0.000 -2.018) 2.112 8.957 ( 7.402 -0.000 -0.122) 7.403 9.087 ( 0.375 -0.000 3.818) 3.836 9.209 ( -1.445 0.000 5.176) 5.374 9.322 ( 0.009 -0.000 -3.169) 3.169 9.501 ( -8.821 0.000 -0.528) 8.837 9.756 ( -8.293 0.000 -2.395) 8.632 9.876 ( -4.800 0.000 6.125) 7.782 10.119 ( -2.172 0.000 -5.914) 6.301 10.638 ( 3.838 -0.000 0.049) 3.838 10.807 ( 0.127 -0.000 0.061) 0.141 10.828 ( 2.865 -0.000 2.174) 3.597 11.496 ( 10.035 -0.000 4.027) 10.812 11.516 ( 9.777 -0.000 -4.487) 10.758 11.925 ( -5.540 0.000 -1.548) 5.753 11.947 ( -6.462 0.000 1.609) 6.660 12.799 ( -5.506 0.000 2.406) 6.009 12.961 ( -3.702 0.000 -0.117) 3.704 12.993 ( -4.207 0.000 2.124) 4.713 13.130 ( 0.976 -0.000 -5.456) 5.543 13.687 ( -0.370 0.000 -7.613) 7.622 13.691 ( 7.942 -0.000 -5.854) 9.866 13.739 ( -0.730 0.000 8.485) 8.517 14.105 ( -8.000 0.000 9.780) 12.635 14.800 ( 0.713 -0.000 -3.063) 3.144 14.927 ( 11.981 -0.000 -4.392) 12.761 14.933 ( 13.921 -0.000 1.162) 13.970 14.997 ( 0.194 -0.000 1.451) 1.464 15.661 ( 15.380 -0.000 -3.108) 15.691 15.802 ( 10.430 -0.000 -1.549) 10.544 15.804 ( 6.569 -0.000 3.515) 7.450 16.060 ( -8.212 0.000 1.688) 8.384 16.341 ( -6.640 0.000 2.493) 7.092 16.614 ( -2.209 0.000 -0.099) 2.211 16.775 ( 1.138 -0.000 0.001) 1.138 16.860 ( 1.644 -0.000 -1.674) 2.346 16.938 ( -3.748 0.000 2.274) 4.384 17.065 ( 0.447 -0.000 -1.981) 2.030 17.071 ( -3.387 0.000 -0.486) 3.422 17.189 ( 3.815 -0.000 -5.506) 6.698 19.993 ( 12.224 -0.000 -4.224) 12.933 20.121 ( 8.954 -0.000 3.239) 9.522 21.249 ( -10.808 0.000 1.985) 10.989 21.380 ( -7.307 0.000 -1.802) 7.526 22.634 ( -5.680 0.000 0.761) 5.731 23.036 ( -4.473 0.000 -2.005) 4.902 27.811 ( -0.216 0.000 -5.232) 5.236 28.148 ( -4.214 0.000 5.955) 7.295 29.773 ( 1.376 -0.000 3.966) 4.198 29.809 ( 6.381 -0.000 -1.019) 6.462 29.857 ( -1.279 0.000 -5.755) 5.895 29.861 ( -0.739 0.000 1.692) 1.847 31.046 ( 0.319 -0.000 0.214) 0.384 31.083 ( 7.934 -0.000 -3.902) 8.842 31.178 ( -1.403 0.000 3.950) 4.192 31.205 ( 0.217 -0.000 0.082) 0.232 31.725 ( -3.051 0.000 -1.082) 3.237 31.941 ( -8.046 0.000 -0.119) 8.047 32.022 ( 1.204 -0.000 -0.287) 1.237 32.173 ( 2.424 -0.000 0.143) 2.429 32.498 ( 7.949 -0.000 2.412) 8.307 32.543 ( 6.425 -0.000 -5.149) 8.233 32.709 ( 3.598 -0.000 3.368) 4.928 33.343 ( -5.400 0.000 -6.108) 8.153 34.321 ( -1.346 0.000 -0.982) 1.666 34.405 ( 3.852 -0.000 -4.698) 6.075 34.608 ( -6.964 0.000 10.048) 12.225 35.298 ( -8.049 0.000 1.752) 8.237 36.132 ( 9.592 -0.000 1.741) 9.749 36.274 ( 12.983 -0.000 -7.863) 15.179 36.943 ( -11.411 0.000 11.551) 16.237 37.407 ( -6.992 0.000 -2.339) 7.373 ======================= Grid point 31 (21/95) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 5.992 -15.510 1.401) 16.686 1.377 ( 9.160 -9.213 -0.919) 13.025 2.049 ( 1.560 0.102 4.799) 5.047 2.156 ( 0.830 -7.243 -2.955) 7.867 2.633 ( 0.843 8.845 1.522) 9.014 2.808 ( -3.278 -0.451 -7.493) 8.191 2.858 ( 10.827 0.823 4.183) 11.636 2.934 ( 0.432 1.609 1.717) 2.392 3.278 ( -0.709 1.542 3.591) 3.972 3.375 ( 1.563 3.532 1.563) 4.166 3.391 ( 2.402 6.448 -2.055) 7.181 3.494 ( 0.684 -0.100 5.427) 5.471 3.561 ( -1.631 -2.168 -2.789) 3.891 3.624 ( -0.226 -4.014 4.852) 6.301 3.815 ( -3.395 -5.133 -2.069) 6.493 3.908 ( -2.388 -8.374 -7.431) 11.448 4.082 ( -1.138 -0.494 -3.435) 3.652 4.250 ( 3.140 0.259 -4.574) 5.554 4.364 ( 3.181 1.161 2.848) 4.425 4.471 ( 1.487 0.265 -2.458) 2.885 4.549 ( 3.805 1.269 0.980) 4.129 4.650 ( 3.070 -1.215 0.667) 3.369 4.771 ( 1.482 3.221 1.552) 3.870 4.867 ( 1.818 -1.757 5.088) 5.681 4.992 ( 4.938 -1.852 0.458) 5.294 5.065 ( 3.997 0.389 -4.271) 5.862 5.156 ( 4.908 6.470 -2.330) 8.449 5.323 ( -8.258 -0.028 2.567) 8.648 5.588 ( -6.779 1.170 -2.785) 7.422 5.644 ( 3.780 1.101 1.838) 4.345 5.707 ( 0.263 -2.162 -0.607) 2.261 5.827 ( -1.886 0.581 1.932) 2.762 5.899 ( -3.035 -4.123 -2.816) 5.843 6.034 ( -10.277 -8.144 1.040) 13.154 6.927 ( -5.642 -5.535 -4.644) 9.167 7.429 ( 0.267 -0.266 -1.208) 1.266 7.530 ( -1.106 4.755 2.037) 5.290 7.798 ( -4.365 0.595 4.209) 6.093 7.829 ( -1.093 0.289 -1.458) 1.845 7.860 ( -0.488 -8.562 5.470) 10.172 8.216 ( -0.680 0.606 0.654) 1.121 8.344 ( 1.104 5.905 -2.530) 6.518 8.859 ( 0.363 -2.314 -2.852) 3.691 9.007 ( 7.204 2.492 -0.338) 7.630 9.061 ( -0.026 4.841 2.680) 5.533 9.161 ( -4.486 2.162 2.433) 5.543 9.313 ( -0.509 3.697 -0.059) 3.732 9.425 ( -3.777 -0.992 -0.269) 3.914 9.662 ( -6.770 1.521 -1.995) 7.219 9.877 ( -1.963 -2.216 6.266) 6.930 10.084 ( -3.179 -0.826 -6.059) 6.892 10.636 ( 1.641 2.709 0.772) 3.261 10.789 ( -0.866 1.257 0.453) 1.592 10.913 ( 4.829 -3.780 0.456) 6.150 11.582 ( 8.150 1.348 1.502) 8.396 11.601 ( 8.640 -0.227 -2.423) 8.976 11.856 ( -5.287 1.162 -0.606) 5.447 11.903 ( -5.901 -1.134 1.178) 6.124 12.741 ( -4.812 1.510 2.386) 5.580 12.898 ( 1.012 3.118 0.022) 3.278 12.974 ( -4.973 -1.541 -0.524) 5.233 13.141 ( -0.942 -1.137 -2.918) 3.270 13.663 ( -0.950 0.368 -2.484) 2.685 13.738 ( 3.314 1.166 -1.404) 3.783 13.750 ( 5.894 1.045 -0.356) 5.997 14.046 ( -8.097 0.921 7.848) 11.314 14.791 ( 0.007 0.196 -2.520) 2.528 14.962 ( 7.583 3.491 -0.738) 8.381 15.017 ( 7.860 0.804 -4.988) 9.344 15.079 ( 4.626 -2.284 4.938) 7.141 15.738 ( 8.421 3.790 -1.278) 9.323 15.832 ( 5.079 2.595 -1.328) 5.856 15.908 ( 6.814 -0.370 0.547) 6.846 15.931 ( -4.304 6.940 2.592) 8.568 16.326 ( -2.558 -3.385 1.598) 4.534 16.636 ( -2.208 -4.344 0.498) 4.899 16.769 ( 0.341 2.105 0.369) 2.165 16.862 ( 0.416 -0.442 -0.805) 1.009 16.946 ( -2.067 -2.575 1.939) 3.830 17.029 ( -2.887 0.804 -1.815) 3.504 17.071 ( -0.353 -1.073 -0.083) 1.133 17.211 ( 2.604 -0.479 -3.789) 4.622 20.032 ( 10.070 6.260 -2.242) 12.067 20.202 ( 6.717 1.281 1.771) 7.064 21.143 ( -9.294 1.153 1.860) 9.548 21.315 ( -6.038 -0.610 -1.762) 6.319 22.614 ( -3.764 -2.700 0.559) 4.666 23.037 ( -2.935 -4.815 -1.361) 5.801 27.797 ( -0.281 -0.229 -2.709) 2.733 28.113 ( -2.992 1.724 3.591) 4.982 29.674 ( -0.295 6.960 1.021) 7.040 29.785 ( 1.840 4.549 -0.812) 4.974 29.890 ( 0.305 -2.901 0.739) 3.009 29.954 ( 2.964 -4.092 -1.718) 5.336 31.042 ( 2.534 0.692 -0.253) 2.639 31.153 ( 0.596 1.819 1.923) 2.713 31.199 ( 3.054 -4.931 -1.785) 6.068 31.249 ( -1.134 -5.003 0.392) 5.145 31.723 ( -1.810 -2.892 -0.362) 3.431 31.859 ( -6.361 1.027 -0.369) 6.454 32.001 ( 0.509 2.988 -0.675) 3.105 32.202 ( 1.918 -0.784 0.801) 2.221 32.573 ( 6.024 0.487 0.640) 6.078 32.589 ( 5.706 -0.505 -4.075) 7.030 32.742 ( 1.251 0.560 4.133) 4.354 33.261 ( -5.392 1.353 -4.277) 7.014 34.354 ( -0.191 -5.064 -0.676) 5.113 34.437 ( 3.475 -1.066 -4.440) 5.738 34.568 ( -5.721 0.557 7.778) 9.671 35.245 ( -6.740 -1.216 0.831) 6.899 36.177 ( 6.619 5.191 1.134) 8.488 36.359 ( 12.336 1.302 -6.021) 13.789 36.792 ( -6.722 8.638 7.948) 13.527 37.312 ( -7.306 3.632 -1.442) 8.286 ======================= Grid point 32 (22/95) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 2.938 -15.859 -1.542) 16.203 1.652 ( 3.569 -15.423 2.549) 16.035 2.082 ( 0.759 -0.179 3.498) 3.584 2.288 ( -0.172 -9.988 -5.052) 11.194 2.501 ( 6.215 11.232 2.912) 13.162 2.712 ( -9.520 2.387 -6.149) 11.582 2.920 ( 2.723 3.445 1.185) 4.548 2.962 ( 8.499 0.633 1.902) 8.733 3.140 ( -1.900 8.496 1.917) 8.915 3.309 ( -2.119 0.301 0.047) 2.141 3.408 ( 3.419 1.161 0.864) 3.713 3.497 ( 0.091 1.255 1.973) 2.340 3.544 ( -2.399 0.826 -1.870) 3.152 3.726 ( -0.053 -6.785 3.284) 7.538 3.914 ( -1.446 -10.049 -0.800) 10.184 4.028 ( -1.497 -3.634 2.268) 4.538 4.058 ( -0.698 -2.717 -6.790) 7.346 4.259 ( 3.518 1.816 -2.679) 4.780 4.349 ( -2.262 2.237 4.274) 5.327 4.390 ( -4.345 2.009 -2.950) 5.624 4.586 ( 3.089 3.075 3.229) 5.424 4.706 ( 2.559 -1.897 -3.382) 4.646 4.742 ( 1.142 -1.006 0.417) 1.578 4.912 ( 1.872 0.375 3.988) 4.421 4.976 ( -1.490 5.156 -1.590) 5.598 5.103 ( 4.189 0.338 -5.332) 6.789 5.147 ( 3.346 3.432 3.029) 5.670 5.317 ( 2.812 -5.379 1.384) 6.225 5.488 ( -5.393 -0.511 -1.291) 5.569 5.671 ( 2.595 1.543 1.884) 3.558 5.786 ( 2.920 -4.609 -3.515) 6.491 5.837 ( -2.652 -3.882 3.324) 5.757 5.916 ( -2.695 -1.263 -2.288) 3.753 6.070 ( -7.509 -5.917 1.131) 9.627 7.019 ( -1.720 -10.323 -2.584) 10.779 7.388 ( -0.155 4.141 -0.061) 4.144 7.529 ( 0.523 -4.217 0.573) 4.287 7.757 ( -2.479 2.171 3.386) 4.725 7.808 ( -0.180 0.095 -2.430) 2.438 8.031 ( 0.195 -10.421 3.129) 10.883 8.170 ( 0.587 7.725 -0.157) 7.749 8.240 ( -1.613 2.302 -0.755) 2.911 8.893 ( 3.109 2.513 -3.526) 5.331 8.944 ( -3.845 2.797 2.257) 5.263 9.024 ( 6.571 4.042 -0.294) 7.720 9.094 ( -1.639 3.484 0.920) 3.959 9.173 ( -6.225 7.001 0.905) 9.411 9.450 ( 1.804 -0.593 0.026) 1.899 9.596 ( -4.094 -1.449 -1.228) 4.513 9.946 ( 2.183 -3.195 6.303) 7.396 10.051 ( -3.592 -1.383 -6.195) 7.294 10.600 ( 0.694 3.121 0.897) 3.321 10.763 ( -1.306 0.274 -0.102) 1.338 11.013 ( 3.622 -2.786 0.149) 4.572 11.596 ( 3.321 4.603 1.488) 5.867 11.637 ( 5.083 4.002 -2.639) 6.987 11.804 ( -3.825 -1.057 -0.022) 3.968 11.888 ( -3.365 -2.478 0.925) 4.280 12.691 ( -1.706 1.021 1.327) 2.390 12.881 ( 2.720 1.590 -0.162) 3.155 12.973 ( 0.266 -2.042 -0.985) 2.282 13.105 ( -5.880 1.056 -0.654) 6.009 13.642 ( -1.046 0.634 1.006) 1.584 13.736 ( 1.075 0.740 -0.276) 1.334 13.798 ( 8.725 1.247 -3.970) 9.667 13.969 ( -7.908 1.222 4.915) 9.391 14.787 ( 0.170 -0.364 -1.169) 1.236 14.972 ( 7.257 3.967 -0.952) 8.325 15.053 ( 4.356 0.042 -4.220) 6.065 15.131 ( 0.301 0.592 4.901) 4.946 15.698 ( 3.431 7.151 0.111) 7.932 15.740 ( -2.961 8.457 -0.044) 8.960 15.834 ( 1.594 4.155 -0.835) 4.528 15.934 ( 2.933 3.651 1.136) 4.819 16.408 ( 0.311 -6.656 0.735) 6.704 16.701 ( -0.542 -3.173 0.938) 3.353 16.715 ( -1.051 2.464 -0.456) 2.718 16.897 ( 0.066 -3.675 -0.455) 3.703 16.964 ( -0.784 0.286 1.902) 2.077 16.994 ( -1.757 -0.538 -2.117) 2.803 17.097 ( -0.381 -2.328 0.649) 2.447 17.225 ( 1.151 0.120 -1.844) 2.178 19.974 ( 4.584 8.264 -0.620) 9.471 20.201 ( 2.988 4.575 0.533) 5.490 21.073 ( -4.393 -0.681 0.916) 4.539 21.286 ( -2.947 -1.671 -0.928) 3.512 22.653 ( -1.957 -4.935 0.261) 5.315 23.116 ( -1.047 -6.609 -0.534) 6.713 27.801 ( -0.094 -1.101 -0.879) 1.412 28.057 ( -1.264 3.288 1.259) 3.741 29.584 ( -0.221 3.731 0.153) 3.741 29.735 ( 0.647 2.601 -0.342) 2.702 29.924 ( 2.273 0.478 1.434) 2.730 30.000 ( -0.015 0.191 -1.436) 1.448 31.051 ( 1.758 1.038 -0.234) 2.054 31.139 ( 0.911 1.543 0.840) 1.979 31.276 ( -0.153 -4.848 1.402) 5.049 31.368 ( -0.684 -9.023 -2.018) 9.271 31.767 ( -2.244 -2.672 -0.061) 3.490 31.811 ( 0.049 -1.008 0.441) 1.101 31.938 ( -0.886 3.925 -1.248) 4.213 32.249 ( 1.800 -2.709 1.103) 3.434 32.598 ( 2.963 1.552 -0.332) 3.361 32.617 ( 2.315 1.170 -2.655) 3.712 32.733 ( -0.197 2.094 2.888) 3.573 33.185 ( -2.979 1.890 -1.838) 3.978 34.458 ( 3.088 -3.346 -3.292) 5.618 34.495 ( 0.285 -7.713 -0.952) 7.777 34.528 ( -4.210 0.849 5.412) 6.909 35.209 ( -4.588 -0.669 0.212) 4.641 36.089 ( 2.220 9.700 0.114) 9.952 36.439 ( 10.421 0.548 -3.191) 10.913 36.611 ( -1.688 10.765 4.244) 11.694 37.142 ( -6.994 7.492 -0.571) 10.265 ======================= Grid point 33 (23/95) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.000 -4.336 0.000) 4.336 1.957 ( 0.000 -17.760 0.000) 17.760 2.058 ( -0.000 3.042 -0.000) 3.042 2.337 ( -0.000 10.652 -0.000) 10.652 2.467 ( 0.000 -6.926 0.000) 6.926 2.617 ( 0.000 -1.652 0.000) 1.652 2.710 ( -0.000 18.664 -0.000) 18.664 3.012 ( 0.000 -1.286 0.000) 1.286 3.139 ( 0.000 -3.993 0.000) 3.993 3.287 ( -0.000 3.910 -0.000) 3.910 3.429 ( 0.000 -3.777 0.000) 3.777 3.469 ( -0.000 5.212 -0.000) 5.212 3.516 ( 0.000 -2.986 0.000) 2.986 3.822 ( 0.000 -3.406 0.000) 3.406 3.966 ( -0.000 5.757 -0.000) 5.757 4.076 ( 0.000 -7.029 0.000) 7.029 4.114 ( 0.000 -0.646 0.000) 0.646 4.252 ( -0.000 0.756 -0.000) 0.756 4.284 ( 0.000 -1.506 0.000) 1.506 4.375 ( 0.000 -1.436 0.000) 1.436 4.587 ( 0.000 -1.909 0.000) 1.909 4.711 ( -0.000 3.876 -0.000) 3.876 4.768 ( -0.000 7.565 -0.000) 7.565 4.829 ( 0.000 -5.012 0.000) 5.012 5.003 ( -0.000 1.403 -0.000) 1.403 5.086 ( 0.000 -1.905 0.000) 1.905 5.100 ( -0.000 2.099 -0.000) 2.099 5.446 ( -0.000 1.480 -0.000) 1.480 5.518 ( 0.000 -10.720 0.000) 10.720 5.626 ( -0.000 4.721 -0.000) 4.721 5.884 ( 0.000 -3.531 0.000) 3.531 5.884 ( -0.000 0.693 -0.000) 0.693 5.939 ( 0.000 -8.122 0.000) 8.122 6.111 ( 0.000 -4.613 0.000) 4.613 7.176 ( 0.000 -7.887 0.000) 7.887 7.356 ( 0.000 -1.932 0.000) 1.932 7.629 ( 0.000 -6.372 0.000) 6.372 7.687 ( -0.000 5.399 -0.000) 5.399 7.825 ( 0.000 -2.786 0.000) 2.786 7.996 ( -0.000 11.247 -0.000) 11.247 8.226 ( 0.000 -12.031 0.000) 12.031 8.240 ( 0.000 -2.578 0.000) 2.578 8.739 ( -0.000 11.986 -0.000) 11.986 8.954 ( -0.000 0.877 -0.000) 0.877 8.961 ( -0.000 8.850 -0.000) 8.850 9.039 ( -0.000 5.319 -0.000) 5.319 9.058 ( 0.000 -3.495 0.000) 3.495 9.449 ( -0.000 1.488 -0.000) 1.488 9.645 ( 0.000 -6.469 0.000) 6.469 10.002 ( -0.000 0.219 -0.000) 0.219 10.071 ( 0.000 -5.229 0.000) 5.229 10.554 ( -0.000 2.681 -0.000) 2.681 10.763 ( 0.000 -1.068 0.000) 1.068 11.062 ( 0.000 -0.783 0.000) 0.783 11.508 ( -0.000 7.135 -0.000) 7.135 11.551 ( -0.000 7.579 -0.000) 7.579 11.825 ( 0.000 -2.968 0.000) 2.968 11.922 ( 0.000 -2.721 0.000) 2.721 12.682 ( 0.000 -0.347 0.000) 0.347 12.887 ( 0.000 -0.312 0.000) 0.312 12.992 ( -0.000 4.474 -0.000) 4.474 13.059 ( 0.000 -4.588 0.000) 4.588 13.628 ( -0.000 0.757 -0.000) 0.757 13.730 ( -0.000 0.681 -0.000) 0.681 13.825 ( -0.000 1.764 -0.000) 1.764 13.917 ( 0.000 -0.833 0.000) 0.833 14.801 ( 0.000 -1.415 0.000) 1.415 14.934 ( -0.000 5.415 -0.000) 5.415 15.086 ( 0.000 -1.132 0.000) 1.132 15.091 ( -0.000 4.317 -0.000) 4.317 15.552 ( -0.000 10.872 -0.000) 10.872 15.589 ( -0.000 8.235 -0.000) 8.235 15.760 ( -0.000 5.041 -0.000) 5.041 15.858 ( -0.000 6.963 -0.000) 6.963 16.533 ( 0.000 -7.190 0.000) 7.190 16.626 ( -0.000 5.097 -0.000) 5.097 16.780 ( 0.000 -4.271 0.000) 4.271 16.940 ( -0.000 1.709 -0.000) 1.709 16.969 ( 0.000 -3.728 0.000) 3.728 17.002 ( 0.000 -2.373 0.000) 2.373 17.139 ( 0.000 -2.435 0.000) 2.435 17.215 ( -0.000 1.357 -0.000) 1.357 19.860 ( -0.000 7.234 -0.000) 7.234 20.122 ( -0.000 6.124 -0.000) 6.124 21.092 ( 0.000 -3.541 0.000) 3.541 21.310 ( 0.000 -2.854 0.000) 2.854 22.737 ( 0.000 -6.069 0.000) 6.069 23.215 ( 0.000 -5.573 0.000) 5.573 27.825 ( 0.000 -1.812 0.000) 1.812 27.992 ( -0.000 3.836 -0.000) 3.836 29.540 ( -0.000 1.871 -0.000) 1.871 29.709 ( -0.000 0.863 -0.000) 0.863 29.930 ( -0.000 1.288 -0.000) 1.288 29.945 ( -0.000 4.498 -0.000) 4.498 31.034 ( -0.000 1.858 -0.000) 1.858 31.117 ( -0.000 1.751 -0.000) 1.751 31.381 ( 0.000 -6.828 0.000) 6.828 31.506 ( 0.000 -8.385 0.000) 8.385 31.761 ( -0.000 0.564 -0.000) 0.564 31.852 ( -0.000 4.416 -0.000) 4.416 31.897 ( 0.000 -6.265 0.000) 6.265 32.323 ( 0.000 -3.742 0.000) 3.742 32.572 ( -0.000 2.649 -0.000) 2.649 32.587 ( -0.000 2.603 -0.000) 2.603 32.702 ( -0.000 1.549 -0.000) 1.549 33.124 ( -0.000 3.783 -0.000) 3.783 34.489 ( -0.000 1.774 -0.000) 1.774 34.504 ( 0.000 -1.727 0.000) 1.727 34.684 ( 0.000 -13.239 0.000) 13.239 35.184 ( -0.000 0.989 -0.000) 0.989 35.935 ( -0.000 9.317 -0.000) 9.317 36.408 ( -0.000 13.427 -0.000) 13.427 36.505 ( 0.000 -2.026 0.000) 2.026 36.973 ( -0.000 7.039 -0.000) 7.039 ======================= Grid point 40 (24/95) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 4.063 -0.000 1.113) 4.212 1.360 ( 4.897 -0.000 -1.896) 5.251 2.074 ( 0.934 -0.000 -0.544) 1.080 2.087 ( -0.668 0.000 2.584) 2.669 2.660 ( -3.301 0.000 -1.885) 3.801 2.815 ( -0.378 0.000 0.955) 1.027 2.945 ( 4.868 -0.000 -2.386) 5.421 2.964 ( 1.902 -0.000 4.691) 5.062 3.276 ( 0.867 -0.000 -0.419) 0.963 3.381 ( -1.694 0.000 1.718) 2.413 3.498 ( -1.254 0.000 3.120) 3.362 3.516 ( -1.405 0.000 -1.771) 2.261 3.544 ( 2.217 -0.000 0.900) 2.393 3.636 ( 7.293 -0.000 6.410) 9.709 3.725 ( -7.037 0.000 -7.095) 9.993 3.766 ( -0.449 0.000 -3.203) 3.234 4.050 ( -2.034 0.000 -2.926) 3.563 4.267 ( 2.170 -0.000 -2.671) 3.441 4.366 ( -2.487 0.000 -2.043) 3.219 4.553 ( -0.460 0.000 0.889) 1.001 4.579 ( 8.921 -0.000 2.569) 9.284 4.667 ( 3.763 -0.000 -0.890) 3.867 4.817 ( -1.503 0.000 2.596) 3.000 4.890 ( 1.816 -0.000 3.608) 4.040 5.034 ( 10.875 -0.000 -3.383) 11.389 5.079 ( -0.484 0.000 -0.055) 0.487 5.221 ( -0.585 0.000 -2.630) 2.694 5.251 ( -8.438 0.000 2.498) 8.800 5.591 ( 2.473 -0.000 -0.463) 2.516 5.648 ( -1.140 0.000 0.912) 1.460 5.713 ( -0.086 0.000 -1.199) 1.202 5.819 ( 0.335 -0.000 -0.737) 0.809 5.824 ( -6.432 0.000 0.089) 6.433 5.883 ( -1.958 0.000 0.627) 2.056 6.820 ( -3.742 0.000 -2.142) 4.311 7.415 ( -0.622 0.000 -0.166) 0.644 7.596 ( -0.262 0.000 -0.118) 0.287 7.769 ( -0.815 0.000 3.489) 3.583 7.770 ( -2.627 0.000 0.816) 2.750 7.825 ( -0.802 0.000 0.766) 1.109 8.221 ( 0.097 -0.000 0.216) 0.237 8.406 ( 1.297 -0.000 -1.588) 2.050 8.832 ( -0.012 0.000 -1.510) 1.510 9.081 ( 2.181 -0.000 0.577) 2.256 9.142 ( -3.356 0.000 0.966) 3.492 9.145 ( 7.312 -0.000 0.473) 7.327 9.328 ( -9.308 0.000 0.559) 9.325 9.378 ( 3.047 -0.000 -0.230) 3.056 9.628 ( -3.863 0.000 -0.523) 3.898 9.844 ( -1.745 0.000 3.806) 4.187 10.039 ( -1.970 0.000 -4.048) 4.502 10.670 ( 0.264 -0.000 0.528) 0.590 10.812 ( 0.227 -0.000 0.076) 0.239 10.906 ( 2.944 -0.000 0.299) 2.959 11.670 ( 5.867 -0.000 2.239) 6.279 11.676 ( 9.478 -0.000 -3.741) 10.189 11.824 ( -7.962 0.000 2.618) 8.382 11.827 ( -3.786 0.000 -1.312) 4.006 12.722 ( -3.087 0.000 1.594) 3.474 12.915 ( -0.972 0.000 -0.581) 1.133 12.920 ( -2.689 0.000 -0.016) 2.689 13.136 ( 0.910 -0.000 -1.463) 1.722 13.654 ( -0.141 0.000 -2.139) 2.143 13.769 ( 0.075 -0.000 2.831) 2.832 13.813 ( 7.597 -0.000 -5.876) 9.604 14.000 ( -7.486 0.000 7.141) 10.346 14.787 ( -0.061 0.000 -1.511) 1.512 15.005 ( 0.381 -0.000 -0.252) 0.456 15.082 ( 4.976 -0.000 -1.409) 5.172 15.131 ( 5.294 -0.000 1.272) 5.445 15.826 ( 4.159 -0.000 -1.910) 4.577 15.905 ( 2.462 -0.000 -1.855) 3.082 15.950 ( 4.217 -0.000 0.165) 4.220 15.962 ( -2.962 0.000 3.989) 4.969 16.281 ( -0.816 0.000 0.719) 1.087 16.577 ( -1.275 0.000 -0.002) 1.275 16.795 ( 0.425 -0.000 0.269) 0.503 16.878 ( 0.787 -0.000 -0.751) 1.087 16.898 ( -1.554 0.000 2.775) 3.180 17.006 ( -2.128 0.000 -1.824) 2.803 17.059 ( -0.250 0.000 -0.210) 0.326 17.217 ( 1.417 -0.000 -2.045) 2.488 20.172 ( 6.928 -0.000 -2.249) 7.284 20.269 ( 4.090 -0.000 1.777) 4.460 21.079 ( -6.453 0.000 1.451) 6.614 21.256 ( -3.770 0.000 -1.217) 3.961 22.568 ( -1.726 0.000 0.340) 1.759 22.966 ( -1.738 0.000 -0.829) 1.925 27.786 ( -0.269 0.000 -1.462) 1.486 28.111 ( -1.774 0.000 2.075) 2.730 29.776 ( -1.820 0.000 -0.750) 1.969 29.812 ( 0.897 -0.000 0.963) 1.316 29.854 ( -0.610 0.000 1.061) 1.224 29.928 ( 3.636 -0.000 -1.977) 4.139 31.050 ( 0.094 -0.000 -0.010) 0.094 31.178 ( -0.490 0.000 1.765) 1.832 31.197 ( 3.947 -0.000 -1.184) 4.121 31.211 ( 0.847 -0.000 -0.158) 0.861 31.680 ( -1.101 0.000 -0.434) 1.183 31.804 ( -4.882 0.000 -0.116) 4.884 32.035 ( 0.307 -0.000 -0.157) 0.345 32.212 ( 1.125 -0.000 0.369) 1.184 32.600 ( 2.530 -0.000 -3.758) 4.531 32.651 ( 5.298 -0.000 1.761) 5.583 32.768 ( 0.604 -0.000 2.843) 2.906 33.212 ( -4.234 0.000 -2.698) 5.021 34.306 ( -0.114 0.000 -0.214) 0.243 34.451 ( 3.313 -0.000 -4.020) 5.209 34.544 ( -4.276 0.000 5.633) 7.072 35.191 ( -3.281 0.000 0.303) 3.295 36.284 ( 4.398 -0.000 1.154) 4.547 36.448 ( 8.184 -0.000 -5.247) 9.722 36.805 ( -7.427 0.000 6.065) 9.589 37.297 ( -3.030 0.000 -1.152) 3.242 ======================= Grid point 41 (25/95) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 0.000 -13.714 0.000) 13.714 1.462 ( 0.000 -9.432 0.000) 9.432 2.092 ( 0.000 -0.378 0.000) 0.378 2.132 ( 0.000 -6.361 0.000) 6.361 2.645 ( 0.000 -0.095 0.000) 0.095 2.737 ( -0.000 8.402 -0.000) 8.402 2.944 ( -0.000 0.607 -0.000) 0.607 3.003 ( 0.000 -0.915 0.000) 0.915 3.252 ( -0.000 3.146 -0.000) 3.146 3.391 ( -0.000 10.168 -0.000) 10.168 3.410 ( 0.000 -2.243 0.000) 2.243 3.526 ( 0.000 -1.831 0.000) 1.831 3.552 ( -0.000 4.442 -0.000) 4.442 3.618 ( 0.000 -5.444 0.000) 5.444 3.781 ( 0.000 -4.349 0.000) 4.349 3.877 ( 0.000 -11.379 0.000) 11.379 4.036 ( 0.000 -0.135 0.000) 0.135 4.274 ( 0.000 -0.263 0.000) 0.263 4.352 ( 0.000 -0.255 0.000) 0.255 4.475 ( -0.000 7.141 -0.000) 7.141 4.645 ( -0.000 0.033 -0.000) 0.033 4.706 ( 0.000 -1.327 0.000) 1.327 4.762 ( -0.000 4.110 -0.000) 4.110 4.895 ( 0.000 -0.067 0.000) 0.067 5.075 ( -0.000 2.151 -0.000) 2.151 5.113 ( 0.000 -0.433 0.000) 0.433 5.198 ( 0.000 -0.283 0.000) 0.283 5.241 ( 0.000 -3.600 0.000) 3.600 5.484 ( -0.000 6.048 -0.000) 6.048 5.706 ( 0.000 -1.514 0.000) 1.514 5.718 ( 0.000 -1.615 0.000) 1.615 5.795 ( 0.000 -0.965 0.000) 0.965 5.865 ( 0.000 -3.348 0.000) 3.348 5.934 ( 0.000 -6.121 0.000) 6.121 6.857 ( 0.000 -6.742 0.000) 6.742 7.428 ( 0.000 -1.127 0.000) 1.127 7.523 ( -0.000 4.894 -0.000) 4.894 7.762 ( 0.000 -0.166 0.000) 0.166 7.813 ( -0.000 0.783 -0.000) 0.783 7.870 ( 0.000 -9.046 0.000) 9.046 8.214 ( -0.000 0.950 -0.000) 0.950 8.352 ( -0.000 6.695 -0.000) 6.695 8.853 ( 0.000 -2.750 0.000) 2.750 9.040 ( -0.000 5.458 -0.000) 5.458 9.125 ( -0.000 0.897 -0.000) 0.897 9.155 ( -0.000 5.137 -0.000) 5.137 9.224 ( -0.000 4.136 -0.000) 4.136 9.428 ( 0.000 -2.892 0.000) 2.892 9.583 ( -0.000 2.062 -0.000) 2.062 9.889 ( 0.000 -4.846 0.000) 4.846 10.020 ( -0.000 0.337 -0.000) 0.337 10.652 ( -0.000 2.274 -0.000) 2.274 10.781 ( -0.000 2.393 -0.000) 2.393 10.969 ( 0.000 -4.200 0.000) 4.200 11.682 ( -0.000 2.854 -0.000) 2.854 11.733 ( -0.000 2.923 -0.000) 2.923 11.756 ( 0.000 -1.026 0.000) 1.026 11.824 ( 0.000 -2.384 0.000) 2.384 12.701 ( -0.000 0.885 -0.000) 0.885 12.900 ( -0.000 0.598 -0.000) 0.598 12.932 ( 0.000 -2.396 0.000) 2.396 13.120 ( -0.000 2.193 -0.000) 2.193 13.646 ( -0.000 0.407 -0.000) 0.407 13.759 ( -0.000 1.313 -0.000) 1.313 13.852 ( 0.000 -0.310 0.000) 0.310 13.954 ( -0.000 1.620 -0.000) 1.620 14.783 ( -0.000 0.028 -0.000) 0.028 15.020 ( 0.000 -1.601 0.000) 1.601 15.074 ( -0.000 3.017 -0.000) 3.017 15.162 ( -0.000 0.076 -0.000) 0.076 15.810 ( -0.000 3.877 -0.000) 3.877 15.856 ( -0.000 6.145 -0.000) 6.145 15.909 ( -0.000 3.793 -0.000) 3.793 15.984 ( -0.000 0.281 -0.000) 0.281 16.314 ( 0.000 -4.150 0.000) 4.150 16.614 ( 0.000 -4.543 0.000) 4.543 16.774 ( -0.000 2.874 -0.000) 2.874 16.860 ( 0.000 -0.347 0.000) 0.347 16.942 ( 0.000 -2.990 0.000) 2.990 16.985 ( -0.000 0.890 -0.000) 0.890 17.066 ( 0.000 -1.091 0.000) 1.091 17.225 ( 0.000 -0.394 0.000) 0.394 20.134 ( -0.000 7.160 -0.000) 7.160 20.277 ( -0.000 2.174 -0.000) 2.174 21.047 ( -0.000 0.170 -0.000) 0.170 21.245 ( 0.000 -1.086 0.000) 1.086 22.581 ( 0.000 -2.512 0.000) 2.512 23.004 ( 0.000 -5.291 0.000) 5.291 27.786 ( 0.000 -0.462 0.000) 0.462 28.093 ( -0.000 1.576 -0.000) 1.576 29.669 ( -0.000 6.449 -0.000) 6.449 29.797 ( -0.000 4.358 -0.000) 4.358 29.896 ( 0.000 -4.373 0.000) 4.373 29.985 ( 0.000 -2.627 0.000) 2.627 31.061 ( 0.000 -0.725 0.000) 0.725 31.168 ( -0.000 1.104 -0.000) 1.104 31.220 ( 0.000 -1.833 0.000) 1.833 31.255 ( 0.000 -4.178 0.000) 4.178 31.702 ( 0.000 -3.074 0.000) 3.074 31.786 ( 0.000 -0.797 0.000) 0.797 32.005 ( -0.000 3.502 -0.000) 3.502 32.226 ( 0.000 -1.083 0.000) 1.083 32.612 ( 0.000 -0.519 0.000) 0.519 32.665 ( -0.000 1.880 -0.000) 1.880 32.765 ( -0.000 1.168 -0.000) 1.168 33.183 ( -0.000 0.477 -0.000) 0.477 34.351 ( 0.000 -5.450 0.000) 5.450 34.468 ( 0.000 -0.717 0.000) 0.717 34.526 ( -0.000 0.516 -0.000) 0.516 35.180 ( 0.000 -0.457 0.000) 0.457 36.245 ( -0.000 6.886 -0.000) 6.886 36.486 ( 0.000 -0.246 0.000) 0.246 36.733 ( -0.000 5.138 -0.000) 5.138 37.230 ( -0.000 5.804 -0.000) 5.804 ======================= Grid point 83 (26/95) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 12.973 -0.000 28.811) 31.597 0.622 ( -3.396 0.000 30.184) 30.374 1.284 ( -14.173 0.000 57.804) 59.517 1.634 ( -11.948 0.000 -19.459) 22.834 1.736 ( 2.821 -0.000 -18.572) 18.785 2.604 ( 12.879 -0.000 12.654) 18.056 2.651 ( -0.107 0.000 -4.928) 4.929 2.968 ( -2.519 0.000 1.136) 2.764 3.038 ( -4.980 0.000 6.465) 8.160 3.303 ( -6.366 0.000 0.915) 6.432 3.322 ( -2.101 0.000 6.136) 6.486 3.458 ( -1.535 0.000 5.412) 5.625 3.603 ( 4.133 -0.000 -15.600) 16.139 3.651 ( -4.202 0.000 -0.049) 4.203 3.657 ( 6.556 -0.000 -13.857) 15.330 3.862 ( 4.128 -0.000 -2.374) 4.762 4.031 ( -4.575 0.000 -6.555) 7.994 4.123 ( 8.043 -0.000 5.688) 9.851 4.197 ( 4.461 -0.000 -6.422) 7.819 4.354 ( -1.355 0.000 -3.217) 3.491 4.504 ( -2.792 0.000 7.480) 7.984 4.602 ( -1.657 0.000 -2.151) 2.715 4.647 ( 1.556 -0.000 -4.797) 5.044 4.812 ( -1.622 0.000 -8.146) 8.306 4.824 ( 7.007 -0.000 -2.258) 7.362 4.902 ( 5.202 -0.000 -9.318) 10.672 5.081 ( -12.114 0.000 12.984) 17.758 5.337 ( 4.205 -0.000 7.115) 8.265 5.439 ( -0.126 0.000 2.596) 2.599 5.632 ( 3.852 -0.000 -5.706) 6.885 6.114 ( 0.294 -0.000 1.982) 2.004 6.177 ( 2.876 -0.000 -1.564) 3.274 6.346 ( -4.248 0.000 6.330) 7.623 6.600 ( 0.222 -0.000 -4.000) 4.006 7.384 ( 6.518 -0.000 0.300) 6.525 7.419 ( -6.860 0.000 -2.043) 7.158 7.575 ( 0.348 -0.000 3.874) 3.890 7.732 ( -0.267 0.000 -2.988) 3.000 8.108 ( -2.654 0.000 3.888) 4.708 8.392 ( 0.625 -0.000 -7.528) 7.553 8.551 ( -5.084 0.000 6.117) 7.954 8.620 ( 6.729 -0.000 7.556) 10.118 8.708 ( -8.165 0.000 1.195) 8.252 8.940 ( 5.815 -0.000 -6.491) 8.715 8.990 ( -0.697 0.000 5.459) 5.503 9.258 ( 3.642 -0.000 -3.245) 4.878 9.627 ( -0.980 0.000 1.287) 1.618 9.758 ( 0.946 -0.000 -4.363) 4.464 10.046 ( 1.750 -0.000 -0.440) 1.805 10.148 ( -1.188 0.000 -3.172) 3.387 10.211 ( -5.651 0.000 5.312) 7.756 10.401 ( 0.770 -0.000 -2.695) 2.803 10.794 ( -2.209 0.000 -0.575) 2.282 10.898 ( 9.040 -0.000 -5.078) 10.369 10.928 ( 8.843 -0.000 4.515) 9.929 11.044 ( -9.148 0.000 0.119) 9.149 12.226 ( 1.749 -0.000 1.922) 2.599 12.286 ( -0.142 0.000 -0.566) 0.583 12.956 ( -0.790 0.000 -0.090) 0.795 12.996 ( -0.864 0.000 -2.947) 3.071 13.201 ( 1.095 -0.000 6.340) 6.434 13.464 ( 5.756 -0.000 -5.615) 8.041 13.552 ( -2.521 0.000 3.041) 3.950 13.648 ( 7.670 -0.000 0.089) 7.670 13.885 ( -56.815 0.000 1.129) 56.827 13.954 ( 8.517 -0.000 -1.543) 8.656 14.285 ( 0.406 -0.000 0.440) 0.598 14.319 ( -1.024 0.000 -0.817) 1.310 14.714 ( 24.024 -0.000 0.551) 24.030 14.792 ( 1.300 -0.000 -2.896) 3.175 15.143 ( -3.450 0.000 2.461) 4.237 15.172 ( -3.303 0.000 4.198) 5.341 15.319 ( -2.461 0.000 -1.273) 2.770 15.407 ( 6.322 -0.000 -2.454) 6.782 16.637 ( 3.893 -0.000 -2.393) 4.570 16.654 ( -2.756 0.000 -2.049) 3.434 16.758 ( 2.044 -0.000 2.726) 3.408 16.820 ( -6.322 0.000 2.864) 6.940 16.964 ( 2.960 -0.000 -0.735) 3.050 17.020 ( 0.543 -0.000 -1.170) 1.289 17.258 ( 0.638 -0.000 3.686) 3.741 17.449 ( -15.448 0.000 -3.824) 15.914 19.635 ( -1.592 0.000 1.551) 2.223 19.706 ( 1.301 -0.000 -1.184) 1.759 21.530 ( -1.738 0.000 1.223) 2.125 21.605 ( 0.760 -0.000 -1.692) 1.855 23.047 ( -0.233 0.000 3.766) 3.773 23.235 ( 0.142 -0.000 -3.449) 3.452 28.151 ( -44.772 0.000 0.700) 44.778 28.181 ( 8.357 -0.000 -0.490) 8.372 29.461 ( -6.362 0.000 2.605) 6.875 29.626 ( 22.526 -0.000 -4.179) 22.910 29.874 ( 0.068 -0.000 3.337) 3.338 30.021 ( 0.052 -0.000 -2.715) 2.716 30.870 ( -14.021 0.000 4.162) 14.626 31.033 ( 1.446 -0.000 0.033) 1.446 31.138 ( 3.063 -0.000 -3.099) 4.357 31.176 ( 0.429 -0.000 -2.205) 2.247 31.878 ( -0.072 0.000 1.789) 1.790 31.918 ( -2.166 0.000 1.097) 2.428 32.087 ( 1.598 -0.000 1.320) 2.072 32.208 ( 0.443 -0.000 -2.367) 2.408 32.293 ( -1.554 0.000 0.832) 1.763 32.298 ( 0.041 -0.000 0.241) 0.244 32.384 ( 26.634 -0.000 0.503) 26.639 32.420 ( -3.326 0.000 -1.011) 3.477 34.346 ( 0.662 -0.000 1.302) 1.460 34.438 ( -0.826 0.000 -2.315) 2.458 35.458 ( 4.670 -0.000 3.161) 5.639 35.582 ( -19.051 0.000 -1.460) 19.107 35.849 ( 2.939 -0.000 0.192) 2.946 35.892 ( -1.422 0.000 -1.224) 1.877 37.744 ( 20.746 -0.000 0.872) 20.764 37.787 ( -1.362 0.000 -0.792) 1.576 ======================= Grid point 84 (27/95) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 7.779 -17.642 21.187) 28.647 0.975 ( 21.949 -8.309 23.487) 33.203 1.448 ( -5.105 -10.632 43.419) 44.992 1.550 ( 1.055 -4.359 -18.109) 18.656 1.807 ( 4.320 -10.993 -13.194) 17.709 2.651 ( 4.238 0.861 -5.771) 7.211 2.739 ( 8.980 3.224 11.346) 14.825 2.924 ( -1.161 2.007 -0.872) 2.477 3.090 ( -0.730 -6.380 5.601) 8.521 3.264 ( -2.801 -0.941 2.558) 3.908 3.356 ( 1.114 -2.390 1.122) 2.865 3.462 ( 2.157 1.626 2.422) 3.628 3.547 ( 2.561 1.103 -13.184) 13.476 3.680 ( 0.652 -3.688 -6.551) 7.547 3.721 ( 3.707 -2.756 -1.139) 4.757 3.901 ( 1.274 -1.508 -2.335) 3.057 4.023 ( -2.604 -5.099 -6.641) 8.769 4.147 ( 3.530 3.496 0.177) 4.971 4.280 ( 5.385 -3.380 -1.259) 6.482 4.323 ( -3.193 -1.061 -4.217) 5.395 4.487 ( -0.859 1.314 4.426) 4.696 4.559 ( -3.430 4.024 1.261) 5.436 4.637 ( -0.646 -3.419 -5.792) 6.757 4.757 ( 1.016 0.777 -2.465) 2.777 4.851 ( 3.965 0.409 -3.944) 5.607 4.949 ( -1.255 -1.179 6.091) 6.330 5.115 ( -0.792 -5.876 -6.409) 8.731 5.375 ( 3.788 2.265 6.350) 7.733 5.523 ( 3.697 -2.790 -3.410) 5.751 5.755 ( 1.556 -10.570 -14.708) 18.179 6.048 ( -5.024 4.135 2.388) 6.931 6.163 ( -3.453 1.048 -2.367) 4.315 6.314 ( -7.278 0.259 5.251) 8.978 6.577 ( -1.440 0.084 -3.580) 3.859 7.324 ( -5.680 2.155 -2.318) 6.502 7.455 ( 4.911 -0.260 1.153) 5.051 7.545 ( -1.092 3.798 4.204) 5.770 7.708 ( -0.293 1.089 -3.224) 3.415 8.060 ( -2.861 2.753 6.109) 7.286 8.319 ( -3.530 4.668 -3.760) 6.956 8.516 ( -7.730 0.496 7.834) 11.016 8.582 ( -12.476 1.358 8.110) 14.942 8.731 ( 5.134 -1.851 4.874) 7.317 8.958 ( -2.279 2.196 -3.054) 4.398 8.970 ( 1.875 3.970 3.444) 5.580 9.009 ( -2.563 10.270 5.609) 11.979 9.563 ( -3.694 5.387 1.000) 6.608 9.699 ( -1.387 3.824 -5.038) 6.475 10.076 ( 1.252 -0.626 -0.515) 1.492 10.136 ( -3.489 -1.308 -3.070) 4.828 10.185 ( -5.365 -0.798 5.331) 7.605 10.419 ( 1.251 -1.568 -3.064) 3.662 10.794 ( 1.124 0.303 -1.364) 1.793 10.962 ( -4.817 -2.840 -1.279) 5.737 11.002 ( 8.675 0.227 -2.894) 9.148 11.051 ( 9.087 -2.791 3.716) 10.206 12.194 ( -3.485 3.856 1.636) 5.449 12.224 ( -3.828 3.315 -0.338) 5.075 12.870 ( -5.962 4.337 -0.774) 7.413 12.972 ( -0.119 0.504 -2.137) 2.199 13.209 ( -0.368 1.594 6.146) 6.360 13.401 ( -5.301 4.906 2.063) 7.511 13.549 ( 0.561 -1.041 -1.727) 2.093 13.591 ( -8.156 -1.442 3.952) 9.177 13.740 ( 3.032 -0.937 3.000) 4.367 14.068 ( 8.182 0.124 1.514) 8.322 14.312 ( -1.257 -2.873 0.123) 3.138 14.404 ( 5.709 -6.992 -0.294) 9.031 14.823 ( 8.263 -0.850 -0.695) 8.335 14.908 ( 2.303 -2.993 -4.182) 5.635 15.093 ( 13.454 4.724 2.436) 14.466 15.263 ( 12.722 0.585 -2.522) 12.983 15.310 ( 5.585 1.979 -3.378) 6.821 15.490 ( 7.866 -1.787 -0.143) 8.068 16.595 ( -3.121 2.069 -0.371) 3.763 16.681 ( 2.778 -1.978 -3.393) 4.810 16.766 ( -0.795 0.020 2.452) 2.578 16.802 ( -3.437 -2.145 -0.364) 4.068 16.991 ( 1.882 -0.656 -0.473) 2.048 17.021 ( 1.543 0.503 0.229) 1.639 17.234 ( -8.702 3.502 6.182) 11.234 17.283 ( -2.859 0.014 2.715) 3.943 19.632 ( 1.152 0.071 1.304) 1.741 19.759 ( 3.837 -2.209 -3.232) 5.481 21.503 ( -1.416 2.323 1.124) 2.944 21.589 ( -0.153 1.539 -1.676) 2.281 23.067 ( -5.689 -1.889 1.456) 6.169 23.221 ( -2.000 -2.016 -4.385) 5.224 27.842 ( -13.466 2.158 9.594) 16.675 28.226 ( 6.904 4.292 2.548) 8.520 29.431 ( -0.673 -0.928 1.685) 2.039 29.611 ( 6.285 9.330 4.168) 11.997 29.851 ( 1.451 1.532 1.812) 2.781 29.990 ( -0.027 2.265 -3.568) 4.226 30.820 ( -1.592 -2.064 2.871) 3.877 31.064 ( 3.061 2.978 -4.348) 6.095 31.306 ( 1.989 -9.188 0.925) 9.446 31.361 ( -10.352 -21.243 -9.554) 25.489 31.816 ( 0.409 4.135 2.835) 5.030 31.930 ( -1.737 0.669 -3.083) 3.601 32.171 ( -1.362 -7.166 0.241) 7.298 32.204 ( -1.932 -1.832 -2.002) 3.331 32.271 ( -0.044 0.560 0.482) 0.740 32.308 ( 0.785 -0.468 -0.383) 0.991 32.432 ( 2.632 -2.256 -1.239) 3.681 32.734 ( 28.602 -6.653 -16.321) 33.596 34.354 ( -0.328 -0.701 2.720) 2.828 34.473 ( -1.696 -5.898 -3.668) 7.150 35.325 ( -18.421 8.633 10.426) 22.860 35.513 ( 7.321 1.763 5.055) 9.069 35.807 ( -2.989 4.507 2.003) 5.767 35.886 ( 3.293 -1.285 0.502) 3.571 37.388 ( -10.493 30.240 12.039) 34.198 37.668 ( 3.934 13.705 -1.694) 14.358 ======================= Grid point 85 (28/95) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 11.596 -7.940 18.425) 23.173 1.367 ( 12.669 -19.006 14.012) 26.796 1.685 ( 1.103 -14.484 -0.406) 14.532 1.718 ( 12.766 -4.638 8.355) 15.947 2.078 ( 3.121 -17.279 -3.834) 17.972 2.642 ( -0.755 2.923 -5.477) 6.254 2.745 ( -0.100 -1.069 3.542) 3.701 2.920 ( 5.116 2.712 3.608) 6.822 3.172 ( -2.749 -2.526 4.189) 5.612 3.231 ( -1.839 2.770 4.349) 5.474 3.403 ( 1.760 0.344 3.432) 3.873 3.521 ( 6.968 -1.408 -1.634) 7.294 3.594 ( 9.719 -7.193 -15.317) 19.515 3.757 ( -1.004 -2.682 3.885) 4.827 3.768 ( 2.754 -3.281 -7.365) 8.520 3.940 ( -1.544 -5.484 -1.913) 6.010 4.063 ( -0.996 -2.771 -1.803) 3.453 4.130 ( 3.849 2.511 -0.052) 4.596 4.278 ( -4.240 0.519 -1.510) 4.531 4.345 ( 0.505 -0.650 -3.760) 3.849 4.496 ( -4.124 -2.223 2.445) 5.285 4.522 ( 4.565 -1.473 2.074) 5.226 4.706 ( 1.828 -6.426 -4.270) 7.929 4.774 ( -1.054 -2.400 0.454) 2.660 4.858 ( 2.371 0.807 -4.801) 5.415 4.973 ( -1.141 0.138 7.819) 7.903 5.179 ( -1.019 -5.143 -6.817) 8.600 5.336 ( 2.712 8.339 1.395) 8.879 5.558 ( 1.839 -0.104 -1.292) 2.250 5.824 ( -2.183 -1.836 -7.201) 7.745 5.948 ( -5.941 1.140 -5.098) 7.911 6.085 ( -5.008 1.392 -0.307) 5.207 6.204 ( -10.102 3.900 0.663) 10.849 6.560 ( -0.655 0.038 -1.908) 2.017 7.254 ( -4.057 -0.567 -1.710) 4.438 7.433 ( -1.717 3.507 -0.641) 3.957 7.531 ( 1.771 0.536 5.492) 5.796 7.684 ( 1.905 1.085 -4.595) 5.091 8.010 ( -3.638 3.055 5.597) 7.341 8.203 ( -2.540 3.750 1.832) 4.886 8.398 ( -11.794 2.901 11.193) 16.517 8.540 ( -7.788 -3.449 3.952) 9.390 8.789 ( 1.543 1.846 2.185) 3.250 8.822 ( 2.374 7.325 3.469) 8.445 8.940 ( 5.485 3.636 1.274) 6.702 8.972 ( 3.752 3.069 -4.270) 6.459 9.433 ( -4.295 5.870 2.270) 7.619 9.589 ( -2.331 5.244 -4.470) 7.274 10.009 ( -7.600 2.964 -1.042) 8.224 10.142 ( -2.665 -0.429 0.150) 2.703 10.160 ( -2.513 -0.733 1.455) 2.994 10.458 ( 2.497 -1.600 -1.765) 3.451 10.793 ( 0.859 0.057 -1.285) 1.546 10.943 ( -5.331 -1.796 2.143) 6.019 11.111 ( 10.580 -1.910 -4.860) 11.798 11.223 ( 10.050 -5.141 3.743) 11.893 12.080 ( -4.590 4.417 0.448) 6.386 12.111 ( -5.216 4.780 -0.358) 7.084 12.744 ( -3.927 4.315 -1.599) 6.050 12.954 ( -0.236 1.392 -1.654) 2.175 13.194 ( 1.837 2.689 4.685) 5.705 13.287 ( -5.126 3.550 0.727) 6.277 13.548 ( -1.999 -1.579 -0.919) 2.708 13.610 ( 1.278 -1.693 1.276) 2.475 13.788 ( 0.695 -1.138 4.718) 4.903 14.074 ( 1.132 3.432 1.194) 3.806 14.369 ( 1.758 -3.281 0.131) 3.725 14.552 ( 1.934 -3.758 0.890) 4.319 14.880 ( -3.986 -0.534 1.340) 4.239 15.048 ( 18.953 -7.273 1.480) 20.354 15.158 ( -2.019 -3.253 -0.882) 3.929 15.353 ( 9.862 0.249 -3.286) 10.398 15.390 ( 22.458 3.206 -4.577) 23.143 15.598 ( 7.741 -1.857 1.267) 8.061 16.540 ( -3.354 0.684 1.975) 3.953 16.722 ( 1.029 -0.489 -0.565) 1.272 16.784 ( -1.358 -3.275 -5.497) 6.541 16.809 ( 0.851 -1.281 1.312) 2.021 17.016 ( 1.101 -0.815 -2.019) 2.439 17.025 ( 0.881 0.954 2.384) 2.715 17.163 ( -4.021 -0.299 3.635) 5.429 17.266 ( -2.741 0.298 1.324) 3.058 19.656 ( 1.808 -0.644 1.609) 2.505 19.821 ( 5.365 -1.287 -3.724) 6.657 21.428 ( -3.194 4.378 1.300) 5.573 21.542 ( -1.183 2.717 -1.873) 3.506 23.020 ( -6.973 -0.242 2.813) 7.523 23.232 ( -1.988 -2.724 -5.420) 6.384 27.794 ( -2.770 -0.900 5.037) 5.818 28.179 ( 3.087 7.423 2.015) 8.288 29.486 ( 2.841 -3.292 1.604) 4.634 29.565 ( 1.995 2.264 2.865) 4.161 29.820 ( -0.760 3.481 0.061) 3.564 29.956 ( 2.462 1.373 -2.549) 3.801 30.867 ( 0.085 -3.221 1.369) 3.500 31.053 ( 2.473 0.567 -2.104) 3.296 31.440 ( -5.128 -7.228 1.748) 9.033 31.533 ( -3.077 -11.421 -1.320) 11.901 31.758 ( -0.824 4.112 0.978) 4.306 31.879 ( 0.039 2.282 -3.494) 4.174 32.190 ( -5.011 -0.798 -1.646) 5.334 32.200 ( -5.085 -1.796 -1.077) 5.499 32.333 ( 2.285 -1.867 -1.319) 3.232 32.352 ( 4.617 -4.654 0.314) 6.563 32.518 ( 5.842 -2.674 0.558) 6.449 32.970 ( 16.572 -2.322 -16.543) 23.530 34.391 ( -0.880 -3.116 4.997) 5.954 34.562 ( -2.227 -8.365 -5.583) 10.301 35.063 ( -12.773 8.881 14.331) 21.152 35.566 ( 10.096 3.784 5.030) 11.897 35.727 ( -1.110 3.320 1.135) 3.680 35.960 ( 3.070 -3.437 1.286) 4.784 36.826 ( -16.222 24.321 2.225) 29.319 37.468 ( 6.500 14.410 -1.076) 15.845 ======================= Grid point 86 (29/95) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 7.107 -7.545 13.055) 16.670 1.795 ( 11.943 -12.271 11.688) 20.732 1.884 ( 7.766 -2.096 5.290) 9.627 1.964 ( 3.738 -14.162 -0.734) 14.666 2.329 ( 2.069 -9.879 -6.039) 11.762 2.529 ( -7.646 1.490 -6.178) 9.942 2.773 ( -4.236 -0.823 3.994) 5.879 2.945 ( 4.108 -0.845 4.630) 6.247 3.160 ( -1.086 3.198 2.041) 3.945 3.221 ( 0.113 -2.186 5.473) 5.894 3.420 ( 1.672 0.265 -0.351) 1.729 3.612 ( 6.959 -2.133 0.294) 7.284 3.697 ( -3.807 2.869 -5.682) 7.417 3.763 ( 7.453 -1.986 -8.059) 11.155 3.824 ( -3.672 -1.310 -0.978) 4.020 4.048 ( 2.006 -5.264 -5.823) 8.102 4.146 ( 4.800 -6.716 -0.729) 8.287 4.174 ( 1.214 -2.450 3.363) 4.335 4.227 ( 7.461 -0.287 0.257) 7.471 4.377 ( 1.831 -4.237 -2.061) 5.055 4.538 ( -1.086 -3.504 3.289) 4.927 4.610 ( 3.795 -2.213 3.518) 5.629 4.768 ( -0.999 0.246 -2.358) 2.572 4.838 ( 0.407 -2.084 -3.478) 4.075 4.869 ( -0.013 -5.827 -2.934) 6.524 4.950 ( -1.997 3.053 7.636) 8.462 5.133 ( -3.900 7.287 -3.234) 8.876 5.273 ( 1.449 -1.236 -1.623) 2.502 5.555 ( -1.008 0.613 -3.824) 4.002 5.730 ( -12.542 3.181 -1.618) 13.040 5.873 ( -0.204 1.937 -3.458) 3.969 6.038 ( -3.123 3.579 -7.818) 9.148 6.060 ( -2.925 0.289 5.901) 6.593 6.544 ( -0.568 0.898 -0.855) 1.364 7.257 ( -2.581 -3.523 -2.206) 4.893 7.382 ( -0.217 0.370 -0.729) 0.846 7.546 ( 0.242 0.080 2.766) 2.777 7.682 ( 1.288 -0.094 -3.907) 4.115 7.896 ( -3.509 7.040 3.437) 8.584 8.121 ( -2.685 5.887 1.588) 6.662 8.355 ( -5.885 -4.978 11.683) 13.997 8.544 ( -6.268 -3.976 2.194) 7.741 8.677 ( -0.126 8.602 -0.586) 8.623 8.799 ( 3.587 3.454 0.689) 5.027 8.941 ( 4.259 2.288 -2.050) 5.251 8.970 ( 6.980 1.858 0.559) 7.245 9.301 ( -4.830 5.235 1.659) 7.314 9.464 ( -3.259 5.530 -1.568) 6.608 9.885 ( -6.411 2.792 -0.645) 7.022 10.098 ( -6.595 -1.047 0.549) 6.701 10.148 ( -0.067 1.939 -0.703) 2.063 10.494 ( 2.319 -0.078 -1.013) 2.532 10.813 ( 1.740 -1.479 -0.978) 2.484 10.934 ( -3.419 -1.013 2.870) 4.577 11.216 ( 7.534 -1.560 -3.978) 8.662 11.409 ( 8.370 -4.749 2.761) 10.012 11.978 ( -3.681 3.057 -1.622) 5.052 11.998 ( -2.874 2.964 0.997) 4.247 12.652 ( -2.111 2.652 -1.713) 3.798 12.896 ( -3.166 3.199 -0.443) 4.523 13.177 ( 0.697 2.669 1.833) 3.312 13.209 ( -0.154 1.496 -2.086) 2.571 13.571 ( 0.766 -1.910 -0.612) 2.147 13.658 ( 1.258 -1.969 2.359) 3.321 13.806 ( -2.807 0.226 6.778) 7.340 14.025 ( -0.221 2.524 0.793) 2.655 14.441 ( 1.874 -2.949 0.335) 3.511 14.588 ( -0.224 -0.587 0.700) 0.941 14.846 ( -4.156 -0.001 0.901) 4.253 15.163 ( -0.632 -0.874 -3.566) 3.726 15.372 ( 16.314 -6.915 2.875) 17.951 15.441 ( 6.190 -2.337 -3.114) 7.313 15.530 ( 14.674 0.818 -2.234) 14.866 15.698 ( 5.919 -1.830 1.863) 6.469 16.526 ( -2.698 -1.320 3.489) 4.603 16.708 ( -0.845 1.851 0.711) 2.155 16.784 ( -2.090 -1.323 -5.363) 5.906 16.888 ( 4.107 -3.301 0.300) 5.277 17.021 ( 0.066 -0.297 -2.224) 2.245 17.035 ( 2.196 0.064 0.662) 2.295 17.157 ( -1.873 -0.628 1.931) 2.763 17.238 ( -2.605 -0.016 0.055) 2.605 19.693 ( 1.765 -0.953 2.094) 2.900 19.881 ( 5.037 -1.167 -3.818) 6.427 21.319 ( -3.733 4.666 1.835) 6.251 21.472 ( -1.923 2.829 -2.206) 4.071 22.980 ( -4.955 -0.580 4.234) 6.543 23.239 ( -1.161 -1.873 -5.567) 5.987 27.816 ( -0.493 -1.862 2.747) 3.355 28.074 ( 0.539 7.010 0.376) 7.040 29.555 ( 1.018 0.488 4.251) 4.398 29.597 ( 2.367 -4.410 -3.237) 5.961 29.748 ( -0.916 3.040 0.378) 3.197 29.964 ( 3.224 0.910 -0.582) 3.400 30.928 ( 0.403 -3.280 0.689) 3.376 31.064 ( 1.459 0.340 -0.178) 1.508 31.494 ( -5.501 -5.719 1.497) 8.075 31.642 ( 0.004 3.839 4.427) 5.860 31.694 ( -3.141 -5.903 -2.937) 7.303 31.851 ( 1.854 1.307 -1.717) 2.845 32.124 ( -6.663 0.136 -3.847) 7.695 32.184 ( -1.736 0.456 2.008) 2.693 32.394 ( 2.781 -2.974 -1.842) 4.469 32.456 ( 2.578 -3.361 -1.181) 4.397 32.613 ( 5.739 -1.051 1.958) 6.154 33.064 ( 8.695 -0.397 -11.233) 14.211 34.463 ( -1.459 -4.373 6.755) 8.178 34.668 ( -1.961 -7.839 -5.095) 9.553 34.879 ( -7.172 5.577 10.966) 14.240 35.594 ( 10.275 6.184 2.010) 12.159 35.679 ( 1.140 2.791 0.710) 3.098 36.048 ( -2.035 -4.850 2.797) 5.958 36.322 ( -10.714 18.250 -5.594) 21.889 37.321 ( 4.853 9.420 -0.468) 10.607 ======================= Grid point 87 (30/95) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 3.516 -2.880 9.391) 10.433 1.930 ( 2.116 2.871 13.491) 13.955 2.099 ( 5.180 -9.077 0.316) 10.456 2.148 ( 0.486 -5.311 0.205) 5.337 2.363 ( -0.493 1.230 -6.960) 7.085 2.498 ( -3.094 -4.881 -8.543) 10.314 2.723 ( -6.938 2.040 11.201) 13.332 3.029 ( 3.390 -0.506 2.672) 4.346 3.122 ( -1.825 -2.584 3.532) 4.741 3.325 ( 1.830 -6.396 2.098) 6.976 3.359 ( -1.185 8.304 -1.638) 8.547 3.587 ( -2.580 2.803 -7.605) 8.506 3.690 ( 1.224 3.433 1.589) 3.976 3.747 ( -1.073 0.562 0.888) 1.502 3.795 ( 2.054 -0.642 -2.959) 3.659 4.083 ( 0.552 -2.648 -9.533) 9.910 4.243 ( 0.499 -4.572 -1.537) 4.849 4.314 ( 7.705 -3.124 -0.228) 8.318 4.408 ( 8.504 -3.898 4.196) 10.253 4.492 ( 3.782 -4.476 1.087) 5.960 4.579 ( 1.081 1.711 6.829) 7.123 4.630 ( -2.302 2.520 2.220) 4.071 4.745 ( 0.256 -0.079 -5.220) 5.227 4.834 ( -0.118 -1.570 -3.738) 4.055 4.875 ( -3.130 -0.055 2.274) 3.869 4.999 ( -0.686 -2.980 -0.471) 3.094 5.042 ( 4.018 -3.107 0.826) 5.146 5.231 ( -5.685 6.447 -0.767) 8.630 5.502 ( -1.507 2.153 -4.591) 5.290 5.570 ( -8.436 -0.392 -2.667) 8.856 5.860 ( 1.791 0.537 1.570) 2.442 5.954 ( 0.366 2.574 -5.156) 5.774 6.077 ( 0.053 -1.341 1.052) 1.705 6.517 ( -0.258 1.206 -0.352) 1.283 7.274 ( -0.793 -1.064 -3.503) 3.746 7.425 ( 1.151 -4.483 0.132) 4.630 7.550 ( 0.929 1.723 0.359) 1.990 7.670 ( -2.833 -0.947 -0.516) 3.031 7.787 ( 0.731 3.942 -0.635) 4.059 8.009 ( -2.852 3.404 3.416) 5.603 8.456 ( -2.608 -6.908 6.875) 10.089 8.515 ( -0.457 9.330 3.077) 9.835 8.567 ( -2.920 -1.913 1.074) 3.653 8.788 ( 2.418 0.411 -3.297) 4.110 8.956 ( 4.074 0.698 0.200) 4.138 8.994 ( 1.403 1.400 1.019) 2.229 9.206 ( -1.229 1.887 0.496) 2.305 9.343 ( -3.007 4.313 0.711) 5.305 9.810 ( -2.037 0.909 -0.446) 2.275 10.074 ( -4.858 -2.800 -0.325) 5.617 10.103 ( 0.316 2.510 -1.022) 2.728 10.501 ( 1.733 0.889 -0.962) 2.173 10.861 ( 1.555 -1.988 0.557) 2.585 10.919 ( -2.385 0.676 2.059) 3.223 11.274 ( 3.242 -0.330 -2.993) 4.424 11.527 ( 2.941 -1.714 1.668) 3.790 11.913 ( -2.304 0.566 -1.824) 2.993 11.965 ( 0.713 0.695 1.006) 1.416 12.613 ( 0.303 0.265 -2.129) 2.167 12.812 ( -2.730 2.601 0.802) 3.855 13.143 ( -0.544 1.024 -0.209) 1.178 13.209 ( 2.799 -0.054 -3.294) 4.323 13.607 ( 1.158 -0.968 -0.151) 1.517 13.708 ( 0.759 -1.847 2.281) 3.032 13.769 ( -5.116 1.763 8.003) 9.660 14.000 ( 0.310 1.108 1.362) 1.783 14.489 ( 0.234 -1.049 0.416) 1.153 14.597 ( 0.074 -0.816 0.323) 0.881 14.816 ( -3.352 -0.605 1.856) 3.879 15.158 ( 2.404 0.748 -6.197) 6.689 15.505 ( 3.045 -0.544 -0.807) 3.197 15.557 ( 5.159 -2.298 0.383) 5.661 15.613 ( 4.347 -0.547 -1.212) 4.546 15.773 ( 2.330 -0.846 2.291) 3.375 16.531 ( -2.538 0.152 2.649) 3.671 16.680 ( 0.693 0.599 2.663) 2.816 16.761 ( -0.715 0.530 -4.871) 4.952 16.972 ( 2.524 -2.578 1.014) 3.747 17.005 ( -1.465 0.648 -1.950) 2.524 17.075 ( 3.627 -0.857 -1.031) 3.867 17.156 ( -0.884 -0.851 0.314) 1.266 17.220 ( -1.803 -0.152 -0.134) 1.814 19.724 ( 0.402 -0.376 2.368) 2.431 19.924 ( 2.777 -0.651 -3.798) 4.750 21.237 ( -1.623 2.147 2.387) 3.598 21.414 ( -1.195 1.178 -2.559) 3.060 22.968 ( -2.384 -0.400 4.976) 5.532 23.242 ( 0.496 -0.806 -5.580) 5.660 27.856 ( -0.129 -2.369 1.681) 2.908 27.977 ( -0.172 4.411 -0.248) 4.421 29.535 ( -1.697 1.728 -0.743) 2.533 29.668 ( 1.423 -1.940 -1.907) 3.070 29.734 ( 1.009 -0.547 3.357) 3.548 29.975 ( 1.628 0.428 -0.087) 1.686 30.978 ( -0.347 -2.210 0.218) 2.248 31.061 ( 0.626 1.281 0.802) 1.636 31.535 ( 0.077 3.490 0.568) 3.537 31.548 ( -3.273 -1.771 1.107) 3.883 31.785 ( -2.034 -5.708 1.270) 6.191 31.858 ( 2.691 0.105 -0.314) 2.712 32.052 ( -4.557 0.446 -3.645) 5.853 32.172 ( 1.539 1.105 1.726) 2.563 32.457 ( 1.754 -2.221 -1.848) 3.380 32.501 ( 0.617 -0.768 -1.577) 1.859 32.658 ( 2.175 0.951 1.443) 2.778 33.106 ( 3.642 -1.252 -7.399) 8.341 34.529 ( -2.872 -2.624 7.390) 8.352 34.673 ( -3.051 2.927 4.435) 6.127 34.883 ( 0.411 -6.175 1.593) 6.390 35.536 ( 4.381 9.142 -5.131) 11.362 35.659 ( 1.272 1.324 0.656) 1.950 35.977 ( -9.601 1.818 -1.434) 9.876 36.160 ( 4.170 0.397 0.056) 4.190 37.245 ( 1.766 3.298 -0.283) 3.752 ======================= Grid point 88 (31/95) ======================= q-point: (-0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -7.681 2.517 6.987) 10.684 1.871 ( -2.713 10.080 16.518) 19.540 2.116 ( -1.848 3.910 -0.453) 4.348 2.220 ( -2.859 1.726 1.327) 3.593 2.339 ( 0.551 0.130 -10.364) 10.379 2.515 ( -1.388 -5.719 -6.080) 8.461 2.736 ( 0.131 -6.236 12.992) 14.412 3.062 ( -1.099 3.787 3.475) 5.256 3.112 ( -0.541 11.204 1.832) 11.366 3.191 ( -0.223 -2.350 2.245) 3.257 3.315 ( -5.618 7.580 -7.553) 12.086 3.560 ( -0.015 -0.381 -2.839) 2.864 3.649 ( 2.529 -1.649 6.688) 7.338 3.767 ( 2.139 -0.031 -8.823) 9.078 3.852 ( 2.955 -3.259 -1.312) 4.591 4.119 ( 0.962 -2.218 -2.412) 3.415 4.250 ( -8.773 5.810 1.789) 10.673 4.314 ( -1.424 -4.717 -6.778) 8.380 4.450 ( -2.194 4.276 2.922) 5.624 4.502 ( 0.136 3.621 2.361) 4.325 4.579 ( -0.646 1.776 0.780) 2.045 4.658 ( 3.824 -4.083 5.242) 7.666 4.706 ( -2.226 3.694 1.493) 4.564 4.839 ( -1.244 1.471 -4.786) 5.159 4.917 ( 4.546 1.621 -0.028) 4.827 4.990 ( -2.072 -7.163 -1.454) 7.597 5.043 ( -0.052 7.729 -0.149) 7.731 5.274 ( 9.706 -8.901 -0.917) 13.201 5.446 ( 2.476 2.898 -1.723) 4.183 5.545 ( -2.880 -2.460 -3.853) 5.403 5.857 ( -0.858 2.878 -0.667) 3.076 5.944 ( 3.317 -2.629 -0.766) 4.301 6.114 ( 1.806 -2.820 -1.935) 3.867 6.513 ( 1.427 -0.284 -0.299) 1.485 7.266 ( 0.034 -0.063 -3.551) 3.552 7.455 ( -1.921 3.046 2.235) 4.239 7.550 ( 4.845 -1.828 -2.681) 5.831 7.706 ( -0.562 -3.462 0.394) 3.529 7.752 ( -0.744 -0.178 -0.533) 0.932 8.009 ( 1.350 -3.254 1.869) 3.988 8.369 ( -0.437 8.222 8.122) 11.565 8.549 ( -1.039 -3.519 0.853) 3.767 8.578 ( -0.104 -0.992 3.331) 3.477 8.802 ( -1.645 -1.979 -2.347) 3.483 8.951 ( -2.145 1.305 -0.002) 2.511 8.974 ( -1.636 0.468 0.989) 1.969 9.213 ( -0.425 -3.035 0.131) 3.067 9.332 ( 5.551 -2.098 0.819) 5.991 9.812 ( 2.684 -0.716 -0.622) 2.846 10.085 ( 1.018 -0.192 -1.350) 1.702 10.103 ( -0.475 -3.783 0.177) 3.817 10.499 ( 1.215 0.639 -1.101) 1.760 10.870 ( -0.641 3.268 0.342) 3.348 10.901 ( -1.156 -1.296 2.329) 2.906 11.265 ( -1.343 1.589 -2.892) 3.562 11.532 ( -3.547 0.927 1.618) 4.007 11.903 ( 0.036 -1.222 -1.426) 1.878 11.980 ( 2.035 -0.558 0.589) 2.191 12.632 ( 2.459 -1.668 -2.551) 3.916 12.790 ( 1.286 -0.633 1.264) 1.911 13.131 ( -0.564 -0.097 -0.491) 0.754 13.238 ( 2.296 -1.728 -3.845) 4.800 13.612 ( 0.099 1.161 -0.053) 1.166 13.713 ( -4.362 1.564 7.379) 8.713 13.751 ( -0.803 -2.442 3.238) 4.135 13.993 ( 0.572 0.963 1.640) 1.986 14.483 ( -0.282 1.507 0.247) 1.553 14.614 ( -1.347 -1.301 0.889) 2.073 14.823 ( -0.894 -2.089 1.983) 3.015 15.142 ( 3.242 2.476 -6.600) 7.759 15.486 ( -2.530 2.972 -0.405) 3.924 15.583 ( -2.544 0.320 -0.666) 2.649 15.628 ( -4.648 -1.978 -0.914) 5.134 15.756 ( -4.503 2.485 2.577) 5.752 16.485 ( -1.239 2.784 2.054) 3.675 16.702 ( -0.064 0.955 3.342) 3.476 16.749 ( 3.272 -1.015 -4.599) 5.735 16.961 ( -2.733 1.530 -0.044) 3.133 17.027 ( 0.800 -1.551 -0.197) 1.756 17.098 ( 0.940 0.158 -2.765) 2.924 17.179 ( 1.484 -0.861 1.305) 2.156 17.208 ( -0.959 -0.457 -0.431) 1.147 19.720 ( -1.714 0.867 2.271) 2.974 19.926 ( -0.538 0.487 -3.705) 3.776 21.245 ( 1.900 -2.026 2.634) 3.828 21.406 ( 0.673 -1.511 -2.801) 3.253 22.974 ( 0.171 0.180 5.059) 5.065 23.243 ( 2.407 0.354 -5.690) 6.188 27.890 ( -1.418 -1.281 3.141) 3.676 27.940 ( 0.917 -0.425 -1.684) 1.964 29.479 ( -1.989 2.503 -0.335) 3.215 29.680 ( 0.717 0.721 -1.879) 2.137 29.771 ( -0.181 -1.593 3.016) 3.416 29.979 ( -1.164 -0.513 -0.183) 1.285 30.994 ( -1.154 -0.801 0.085) 1.408 31.039 ( 0.099 2.140 0.904) 2.325 31.456 ( 3.393 5.806 0.634) 6.754 31.580 ( -3.165 -2.747 0.540) 4.226 31.845 ( 0.618 -1.866 2.387) 3.092 31.895 ( 0.563 -2.615 0.082) 2.677 32.014 ( -0.406 -0.225 -3.419) 3.451 32.194 ( 5.655 0.825 0.942) 5.791 32.476 ( 0.616 1.195 -2.853) 3.154 32.491 ( -1.001 0.678 -0.909) 1.512 32.633 ( -2.809 1.784 1.141) 3.518 33.131 ( -0.606 -2.277 -7.600) 7.956 34.498 ( -3.663 3.865 5.112) 7.381 34.667 ( 0.353 -1.558 7.622) 7.787 34.956 ( 2.560 2.569 3.402) 4.973 35.417 ( -3.676 0.125 -7.461) 8.319 35.666 ( -1.829 -2.184 0.620) 2.916 35.971 ( 4.700 -2.512 -1.188) 5.460 36.192 ( 0.925 -1.566 -0.119) 1.823 37.245 ( -1.406 -3.282 -0.283) 3.582 ======================= Grid point 89 (32/95) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( -22.714 8.299 4.285) 24.559 1.637 ( -9.924 16.247 18.436) 26.502 1.966 ( -2.589 13.111 8.255) 15.708 2.093 ( -0.751 8.039 0.547) 8.093 2.299 ( -3.849 -0.689 -9.678) 10.439 2.657 ( 4.231 -6.580 -1.186) 7.913 2.733 ( -5.313 14.676 -0.853) 15.632 2.949 ( -0.687 -3.522 10.466) 11.064 3.087 ( -0.873 -0.287 -4.605) 4.695 3.139 ( -3.395 -0.016 2.111) 3.998 3.227 ( 0.565 0.166 1.796) 1.890 3.546 ( 2.842 2.420 0.125) 3.735 3.706 ( 1.597 1.203 -0.085) 2.001 3.735 ( -1.106 0.336 -9.941) 10.008 3.899 ( -0.915 0.138 -3.361) 3.486 4.044 ( -9.795 2.843 0.567) 10.215 4.152 ( -0.049 3.162 2.425) 3.985 4.337 ( -3.241 3.398 -0.549) 4.727 4.372 ( 0.634 0.035 -3.476) 3.534 4.393 ( 0.722 6.072 -3.532) 7.061 4.533 ( -4.461 4.470 4.371) 7.680 4.605 ( -3.404 2.489 3.456) 5.452 4.716 ( -2.417 -0.798 2.202) 3.366 4.784 ( 1.653 -0.591 -2.863) 3.358 4.935 ( 6.306 4.595 -0.615) 7.827 4.988 ( 3.683 -0.635 -0.601) 3.785 5.154 ( -2.159 -9.803 -1.745) 10.188 5.297 ( 1.186 7.313 -2.066) 7.691 5.465 ( -3.005 -1.348 -3.569) 4.856 5.652 ( 15.760 -3.566 -2.222) 16.311 5.821 ( 1.801 -0.881 2.032) 2.855 6.054 ( 5.138 -4.394 -2.469) 7.197 6.198 ( 5.182 -4.071 -4.816) 8.163 6.536 ( 1.307 -0.658 -0.846) 1.690 7.265 ( 0.345 -0.971 -3.888) 4.022 7.414 ( 0.215 1.358 5.356) 5.529 7.578 ( 0.551 -0.083 -7.354) 7.375 7.736 ( -2.306 -0.660 -1.950) 3.091 7.799 ( 3.561 -3.539 5.613) 7.531 8.124 ( 4.624 -5.049 2.706) 7.362 8.310 ( 0.260 1.478 12.108) 12.201 8.547 ( 4.525 4.595 2.918) 7.079 8.628 ( -3.991 -5.273 0.624) 6.643 8.795 ( -4.432 -0.902 2.010) 4.949 8.924 ( -3.588 -1.666 -1.356) 4.181 8.949 ( -2.004 -0.655 -2.196) 3.044 9.303 ( 1.791 -6.016 1.393) 6.430 9.473 ( 7.285 -6.152 -1.171) 9.607 9.869 ( 5.775 -1.149 -1.115) 5.993 10.114 ( 1.495 -1.632 -0.119) 2.216 10.183 ( 2.389 -4.034 0.493) 4.715 10.488 ( -0.305 1.100 -1.428) 1.828 10.809 ( 1.165 3.328 -1.491) 3.828 10.903 ( -1.951 0.246 3.542) 4.051 11.178 ( -5.167 3.922 -3.132) 7.203 11.448 ( -8.574 2.637 1.961) 9.183 11.950 ( 3.110 -3.198 -0.748) 4.523 12.031 ( 3.573 -2.440 0.083) 4.328 12.698 ( 4.222 -3.247 -2.420) 5.850 12.849 ( 2.972 -2.985 0.527) 4.245 13.124 ( -1.604 -0.290 0.226) 1.645 13.285 ( 1.130 -2.887 -2.271) 3.843 13.580 ( 0.118 2.001 -0.336) 2.032 13.670 ( -2.940 1.836 5.128) 6.189 13.810 ( -1.755 -4.759 5.247) 7.298 13.986 ( 1.346 1.384 0.663) 2.041 14.442 ( -0.885 2.780 0.189) 2.923 14.612 ( -1.897 0.166 1.332) 2.324 14.874 ( 0.941 -2.780 2.066) 3.589 15.085 ( -0.616 4.448 -4.529) 6.378 15.371 ( -7.867 4.208 0.193) 8.924 15.503 ( -9.299 1.719 -1.481) 9.572 15.575 ( -12.095 -1.074 -3.017) 12.511 15.649 ( -7.927 2.783 3.210) 8.994 16.455 ( 1.438 1.184 2.169) 2.859 16.681 ( 1.642 1.780 -1.347) 2.771 16.796 ( 2.631 -0.699 -0.433) 2.757 16.909 ( -1.984 1.668 0.570) 2.654 17.031 ( -2.118 -0.194 -2.533) 3.307 17.081 ( -0.384 1.316 -1.798) 2.261 17.203 ( 1.174 -0.575 2.352) 2.691 17.226 ( 0.661 -1.138 0.484) 1.402 19.684 ( -2.629 1.286 1.891) 3.484 19.881 ( -2.912 1.298 -3.655) 4.850 21.339 ( 3.452 -4.526 2.492) 6.213 21.454 ( 2.052 -3.401 -2.859) 4.894 22.996 ( 2.926 0.441 4.425) 5.323 23.242 ( 4.038 1.403 -5.907) 7.291 27.912 ( -2.500 -3.038 5.751) 6.968 27.981 ( 1.096 -3.314 -2.449) 4.264 29.409 ( -2.521 3.600 1.416) 4.617 29.660 ( 0.042 1.170 -1.509) 1.909 29.793 ( -2.084 -1.446 1.878) 3.156 29.971 ( -2.029 -0.930 -0.987) 2.441 30.982 ( -2.707 1.380 2.685) 4.055 31.006 ( 1.001 1.129 -2.244) 2.704 31.405 ( 4.697 5.560 0.474) 7.293 31.584 ( -2.421 -1.128 1.768) 3.202 31.881 ( 2.963 0.265 1.677) 3.415 31.948 ( -0.502 -3.673 -0.286) 3.718 32.029 ( 3.654 -0.374 -2.746) 4.586 32.247 ( 6.920 0.719 0.256) 6.962 32.417 ( 0.196 4.634 -3.014) 5.532 32.455 ( -0.014 3.037 -1.336) 3.318 32.565 ( -7.748 0.579 1.356) 7.887 33.106 ( -5.593 -0.984 -13.018) 14.203 34.412 ( -1.965 4.107 3.347) 5.650 34.716 ( 4.221 3.173 3.974) 6.609 34.905 ( 0.049 2.019 9.706) 9.914 35.424 ( -4.337 -4.953 -0.229) 6.588 35.692 ( -3.926 -3.675 0.891) 5.451 36.037 ( -5.067 -2.464 2.130) 6.024 36.307 ( 14.835 -6.629 -5.114) 17.034 37.325 ( -4.098 -9.564 -0.459) 10.415 ======================= Grid point 90 (33/95) ======================= q-point: (-0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( -28.693 12.499 6.449) 31.955 1.271 ( -12.075 20.987 16.896) 29.525 1.698 ( -10.795 16.445 22.784) 30.101 1.952 ( -2.832 7.033 -0.804) 7.624 2.141 ( -5.604 12.131 -7.887) 15.517 2.512 ( -1.737 2.607 -3.341) 4.580 2.785 ( -6.803 -2.105 3.961) 8.149 2.852 ( -2.025 -0.114 -2.847) 3.496 3.179 ( -1.595 -2.260 5.220) 5.908 3.218 ( 1.245 1.031 3.608) 3.954 3.247 ( 4.941 -7.702 2.246) 9.422 3.505 ( 1.261 4.998 0.861) 5.226 3.649 ( -2.578 2.182 -4.744) 5.823 3.694 ( 0.660 0.944 -11.202) 11.261 3.825 ( -3.402 3.881 -0.599) 5.196 3.944 ( -1.106 3.850 -3.935) 5.615 4.092 ( 0.252 2.372 0.338) 2.409 4.219 ( 0.609 7.469 -1.359) 7.616 4.258 ( -4.864 2.656 -2.228) 5.973 4.402 ( -1.174 1.341 -2.008) 2.685 4.477 ( -0.080 -2.212 0.923) 2.398 4.573 ( 0.267 2.088 2.110) 2.981 4.683 ( -0.550 1.892 0.601) 2.060 4.849 ( -0.247 -4.093 0.470) 4.128 4.892 ( 2.493 4.340 -0.691) 5.052 5.021 ( -1.553 2.555 -6.000) 6.704 5.163 ( 2.694 3.648 -1.867) 4.904 5.245 ( -2.996 -3.277 4.319) 6.195 5.445 ( -0.597 -0.193 -4.749) 4.790 5.839 ( 10.261 -4.620 0.795) 11.281 5.945 ( 10.002 -4.017 1.509) 10.884 6.099 ( 3.002 2.374 -14.539) 15.035 6.307 ( 7.813 -1.691 -0.437) 8.006 6.555 ( 1.780 -0.744 -2.367) 3.053 7.286 ( 0.764 -2.216 -3.449) 4.170 7.438 ( 0.424 -1.238 6.620) 6.748 7.549 ( -2.030 -0.007 -6.506) 6.815 7.712 ( -1.679 -0.772 -1.822) 2.596 7.920 ( 3.580 -4.027 8.262) 9.864 8.270 ( 7.914 -3.949 10.542) 13.760 8.377 ( 2.185 -3.264 4.839) 6.233 8.526 ( 3.978 3.620 7.566) 9.283 8.682 ( -4.393 -5.519 3.378) 7.821 8.775 ( -1.870 0.243 2.778) 3.357 8.927 ( -4.113 -3.422 -0.959) 5.436 8.946 ( 0.781 -0.281 -3.751) 3.842 9.437 ( 1.996 -7.217 1.528) 7.642 9.632 ( 5.292 -5.854 -3.418) 8.599 9.944 ( 6.909 -0.918 -1.112) 7.058 10.149 ( 0.996 -0.884 0.087) 1.334 10.258 ( 1.290 -1.381 2.556) 3.179 10.445 ( -1.050 1.892 -2.808) 3.545 10.793 ( 4.991 1.186 -2.923) 5.905 10.882 ( -1.696 1.303 4.179) 4.694 11.036 ( -6.853 4.718 -2.572) 8.708 11.307 ( -11.069 3.185 1.311) 11.593 12.057 ( 5.233 -4.450 0.090) 6.870 12.125 ( 4.677 -3.735 -0.051) 5.985 12.797 ( 4.725 -4.058 -2.419) 6.682 12.928 ( 1.830 -3.390 -1.075) 3.999 13.123 ( -0.948 -0.921 3.804) 4.027 13.335 ( 0.370 -2.561 0.584) 2.652 13.564 ( 1.410 0.599 -1.130) 1.904 13.625 ( -1.315 2.203 2.068) 3.295 13.904 ( -4.559 -7.787 6.030) 10.853 13.975 ( 2.224 1.966 0.208) 2.976 14.378 ( -1.618 3.511 0.095) 3.867 14.579 ( -0.202 3.140 1.365) 3.430 14.922 ( -1.321 -1.196 1.900) 2.605 14.955 ( -8.533 4.212 0.483) 9.528 15.209 ( -15.854 1.697 -1.514) 16.016 15.369 ( -11.964 0.365 -2.731) 12.277 15.451 ( -6.980 1.516 -5.547) 9.044 15.542 ( -12.765 0.060 2.150) 12.945 16.492 ( 3.613 -1.991 1.173) 4.288 16.671 ( 2.577 1.383 -1.658) 3.361 16.792 ( -1.307 1.670 0.086) 2.122 16.897 ( 2.084 0.220 1.393) 2.516 16.985 ( -3.159 1.219 -4.615) 5.724 17.041 ( -1.210 1.785 -0.094) 2.159 17.243 ( 2.701 0.536 -0.387) 2.780 17.258 ( -2.041 -4.828 6.462) 8.320 19.648 ( -2.418 0.610 1.505) 2.913 19.818 ( -2.980 1.387 -3.774) 5.005 21.449 ( 2.151 -4.264 1.921) 5.148 21.527 ( 2.102 -3.457 -2.562) 4.789 23.041 ( 5.476 0.352 2.695) 6.113 23.237 ( 4.768 2.320 -5.918) 7.946 27.991 ( -1.712 -6.891 4.800) 8.571 28.055 ( -3.126 -7.573 2.817) 8.663 29.325 ( -2.149 4.167 3.007) 5.570 29.630 ( -3.073 1.095 0.771) 3.352 29.798 ( -1.186 -0.985 0.956) 1.814 29.976 ( -0.648 -1.921 -2.456) 3.184 30.922 ( -3.565 2.567 3.374) 5.539 31.008 ( 1.506 -0.680 -4.205) 4.518 31.347 ( 4.156 6.775 -0.393) 7.957 31.602 ( -0.321 -1.757 3.929) 4.316 31.892 ( 3.969 2.775 -1.582) 5.094 32.002 ( -1.157 -3.898 -1.799) 4.446 32.071 ( 7.205 0.966 -0.841) 7.318 32.284 ( 0.100 -0.102 0.885) 0.897 32.323 ( 6.994 8.468 -5.374) 12.227 32.394 ( 1.956 4.710 -0.206) 5.105 32.475 ( -11.087 -0.208 -0.748) 11.114 32.943 ( -12.614 5.791 -21.962) 25.981 34.353 ( -0.396 2.506 2.619) 3.646 34.625 ( 3.188 9.257 -3.177) 10.293 35.056 ( 4.310 -10.901 20.816) 23.890 35.471 ( -3.194 -4.199 6.589) 8.440 35.711 ( -4.577 -3.104 0.519) 5.555 35.987 ( -10.033 -0.572 2.267) 10.302 36.616 ( 19.600 -9.966 1.044) 22.013 37.483 ( -4.305 -14.316 -0.910) 14.977 ======================= Grid point 91 (34/95) ======================= q-point: (-0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -23.043 11.204 16.529) 30.491 0.840 ( -10.723 21.852 19.541) 31.215 1.400 ( -17.113 13.191 47.253) 51.959 1.801 ( -7.243 2.780 -11.904) 14.209 1.870 ( -4.965 8.646 -14.745) 17.799 2.503 ( 3.717 0.789 5.461) 6.653 2.691 ( -6.119 0.424 -1.721) 6.371 2.930 ( -0.202 -5.003 0.820) 5.074 3.123 ( -4.499 5.167 6.983) 9.782 3.279 ( 0.644 -3.302 5.840) 6.740 3.358 ( -0.757 -0.411 1.748) 1.949 3.451 ( -0.925 0.359 4.251) 4.366 3.598 ( 0.306 -0.046 -10.219) 10.223 3.655 ( 5.115 1.585 -14.731) 15.674 3.741 ( -3.445 2.536 -2.016) 4.729 3.863 ( 2.562 3.842 -3.358) 5.710 4.082 ( 0.933 0.868 2.161) 2.509 4.142 ( -6.276 3.175 -6.654) 9.682 4.172 ( 4.500 1.170 -4.717) 6.623 4.361 ( -0.365 0.666 -1.779) 1.934 4.528 ( -4.531 -0.510 6.079) 7.599 4.563 ( 2.727 -3.246 -0.659) 4.291 4.662 ( 0.882 1.853 -2.728) 3.414 4.801 ( -1.278 5.266 2.362) 5.911 4.870 ( -5.192 -0.048 -8.771) 10.193 4.923 ( 3.291 2.059 -3.621) 5.309 5.165 ( -3.284 0.584 5.290) 6.253 5.284 ( 0.345 -1.188 6.455) 6.572 5.448 ( 4.674 0.508 -4.772) 6.699 5.848 ( 1.633 16.423 -18.883) 25.078 6.036 ( 4.075 -3.837 2.332) 6.064 6.110 ( 9.420 -1.899 -1.378) 9.708 6.360 ( 0.725 0.865 4.388) 4.531 6.586 ( 2.885 -0.981 -3.792) 4.865 7.327 ( 3.520 -1.220 -2.148) 4.300 7.469 ( -4.453 -1.597 0.411) 4.748 7.534 ( -0.472 -1.962 2.901) 3.534 7.725 ( 0.871 -1.343 -3.032) 3.429 8.050 ( 1.074 -5.555 6.741) 8.801 8.380 ( 0.734 -2.117 -5.205) 5.667 8.520 ( 6.319 -3.761 8.614) 11.326 8.560 ( 2.531 0.241 10.615) 10.915 8.742 ( -2.859 -2.413 0.586) 3.787 8.832 ( 15.712 -3.446 12.494) 20.367 8.951 ( -0.306 -3.308 0.880) 3.437 8.968 ( -0.875 -4.401 2.331) 5.057 9.576 ( 2.119 -5.857 0.902) 6.294 9.728 ( 2.080 -2.782 -5.078) 6.152 10.016 ( 5.332 -0.510 -0.580) 5.388 10.160 ( 0.932 0.296 -1.185) 1.537 10.253 ( -3.121 1.304 4.584) 5.696 10.416 ( 1.742 1.099 -4.204) 4.681 10.834 ( 6.565 0.105 -3.614) 7.494 10.861 ( -2.923 0.555 3.736) 4.776 10.899 ( -2.106 4.400 -0.529) 4.906 11.157 ( -11.205 2.014 0.359) 11.390 12.169 ( 4.337 -2.674 0.828) 5.162 12.229 ( 3.921 -3.334 0.561) 5.177 12.899 ( 4.371 -3.345 -0.892) 5.576 12.980 ( 0.747 -2.368 -3.406) 4.215 13.164 ( 1.710 -0.813 6.910) 7.165 13.391 ( 2.087 -2.968 1.335) 3.866 13.564 ( -2.077 -0.318 1.708) 2.708 13.601 ( 3.963 1.622 -1.034) 4.405 13.937 ( 2.075 1.749 -4.513) 5.266 14.041 ( -14.285 -14.161 7.976) 21.638 14.305 ( -0.090 3.484 -0.048) 3.485 14.516 ( 2.790 6.897 0.292) 7.446 14.770 ( -26.251 3.703 -7.246) 27.483 14.836 ( -5.872 2.527 0.660) 6.427 15.094 ( -13.587 -7.404 2.777) 15.721 15.273 ( -7.447 -0.320 -3.128) 8.084 15.382 ( -2.506 0.851 -3.788) 4.621 15.415 ( -8.662 1.994 0.326) 8.895 16.580 ( 4.387 -2.980 -0.953) 5.388 16.669 ( 1.600 0.809 -1.584) 2.393 16.751 ( -1.236 1.073 1.094) 1.968 16.890 ( -3.336 2.601 1.852) 4.618 16.943 ( 2.319 0.247 -2.350) 3.310 17.015 ( -0.925 -0.294 -0.411) 1.054 17.248 ( 1.848 1.252 1.941) 2.958 17.386 ( -5.603 -12.658 4.914) 14.689 19.631 ( -2.286 -0.850 1.678) 2.961 19.758 ( -1.362 2.360 -4.003) 4.843 21.521 ( -0.669 -2.721 0.966) 2.964 21.583 ( 1.531 -1.874 -1.986) 3.130 23.077 ( 4.928 3.191 -0.235) 5.875 23.227 ( 4.109 1.505 -4.059) 5.969 28.094 ( 6.207 -2.565 -3.546) 7.594 28.240 ( -25.549 -26.243 9.160) 37.754 29.299 ( 7.370 -0.058 9.912) 12.352 29.567 ( -4.885 2.122 1.949) 5.671 29.820 ( 0.425 -1.854 1.605) 2.488 30.004 ( 0.445 -2.114 -2.836) 3.565 30.867 ( -4.933 -0.215 4.248) 6.513 31.037 ( 2.690 -2.459 -5.808) 6.857 31.257 ( 2.813 7.379 -1.431) 8.026 31.589 ( 1.580 12.875 -8.136) 15.312 31.844 ( -0.385 2.400 -4.704) 5.295 32.023 ( -3.654 -0.956 -6.156) 7.222 32.136 ( 14.864 4.760 2.077) 15.745 32.179 ( 1.900 10.161 -7.709) 12.895 32.299 ( 1.794 1.346 -0.483) 2.294 32.335 ( -4.639 3.541 -6.179) 8.499 32.348 ( -5.118 2.424 2.827) 6.330 32.566 ( -15.288 10.246 -7.433) 19.848 34.336 ( 0.597 0.570 1.792) 1.974 34.502 ( 0.911 6.242 -2.813) 6.907 35.363 ( 6.570 -7.563 4.495) 10.980 35.615 ( -5.416 -16.738 12.591) 21.634 35.711 ( 1.545 0.032 2.731) 3.138 35.908 ( -7.187 0.022 1.495) 7.341 37.066 ( 24.119 -21.028 23.667) 39.800 37.687 ( -1.570 -12.241 -0.989) 12.381 ======================= Grid point 93 (35/95) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 4.813 -0.000 23.780) 24.262 1.217 ( 10.180 -0.000 33.629) 35.136 1.529 ( 13.679 -0.000 -14.388) 19.852 1.556 ( 23.222 -0.000 29.658) 37.668 1.732 ( 7.379 -0.000 -9.355) 11.915 2.716 ( 9.874 -0.000 -7.055) 12.135 2.889 ( -4.661 0.000 -5.033) 6.860 2.926 ( 8.637 -0.000 11.315) 14.235 3.062 ( 1.050 -0.000 6.179) 6.268 3.214 ( 0.585 -0.000 -5.960) 5.989 3.353 ( 3.320 -0.000 4.964) 5.972 3.524 ( 2.825 -0.000 7.163) 7.700 3.540 ( 0.561 -0.000 -20.715) 20.722 3.628 ( -0.722 0.000 4.603) 4.660 3.729 ( 6.267 -0.000 -4.871) 7.937 3.907 ( 1.576 -0.000 -2.103) 2.628 3.915 ( -3.260 0.000 -9.334) 9.887 4.211 ( -4.207 0.000 -3.007) 5.171 4.248 ( 1.096 -0.000 2.425) 2.661 4.291 ( 6.329 -0.000 -6.186) 8.850 4.509 ( -1.775 0.000 6.760) 6.989 4.570 ( -7.911 0.000 -1.293) 8.016 4.585 ( 2.286 -0.000 -5.949) 6.373 4.812 ( 4.007 -0.000 -7.690) 8.671 4.918 ( -5.335 0.000 13.318) 14.347 4.963 ( 6.214 -0.000 -7.879) 10.034 5.001 ( 8.869 -0.000 -12.606) 15.413 5.415 ( -3.346 0.000 0.535) 3.389 5.476 ( 6.065 -0.000 2.903) 6.724 5.697 ( 4.738 -0.000 -2.062) 5.167 6.042 ( -7.956 0.000 1.316) 8.064 6.082 ( -10.517 0.000 -1.870) 10.682 6.271 ( -7.683 0.000 6.778) 10.246 6.518 ( -6.803 0.000 -3.657) 7.724 7.258 ( -8.313 0.000 -4.015) 9.231 7.510 ( 3.028 -0.000 4.370) 5.317 7.588 ( -0.426 0.000 2.418) 2.455 7.712 ( 2.063 -0.000 -2.008) 2.879 8.071 ( -3.724 0.000 7.044) 7.968 8.300 ( -12.315 0.000 3.144) 12.710 8.466 ( -7.557 0.000 5.869) 9.568 8.479 ( -12.239 0.000 5.826) 13.555 8.769 ( 4.314 -0.000 3.821) 5.763 8.894 ( -6.997 0.000 -1.376) 7.131 9.043 ( 3.000 -0.000 4.379) 5.308 9.064 ( -1.818 0.000 2.164) 2.826 9.566 ( -5.900 0.000 1.322) 6.046 9.700 ( -3.333 0.000 -4.411) 5.528 10.051 ( -6.650 0.000 -4.129) 7.827 10.092 ( 2.602 -0.000 -0.100) 2.604 10.150 ( -5.050 0.000 5.577) 7.524 10.416 ( 2.949 -0.000 -2.536) 3.890 10.811 ( 1.460 -0.000 -1.984) 2.463 10.890 ( -4.079 0.000 -0.238) 4.086 11.090 ( 10.855 -0.000 -4.293) 11.673 11.128 ( 10.048 -0.000 4.388) 10.964 12.185 ( -7.663 0.000 -1.084) 7.739 12.195 ( -5.638 0.000 1.308) 5.788 12.884 ( -0.709 0.000 -2.819) 2.907 12.926 ( -3.721 0.000 -2.261) 4.354 13.211 ( -3.767 0.000 5.553) 6.710 13.357 ( -10.534 0.000 2.626) 10.856 13.531 ( -0.686 0.000 0.581) 0.899 13.582 ( 3.905 -0.000 -1.531) 4.194 13.798 ( 4.462 -0.000 0.842) 4.541 14.227 ( 14.252 -0.000 8.569) 16.630 14.353 ( 8.138 -0.000 -0.611) 8.161 14.370 ( 6.756 -0.000 -2.759) 7.298 14.863 ( -3.418 0.000 -0.139) 3.421 14.924 ( 15.218 -0.000 -1.519) 15.294 15.091 ( -5.699 0.000 3.253) 6.561 15.391 ( 8.858 -0.000 -1.694) 9.018 15.555 ( 9.081 -0.000 0.838) 9.120 15.637 ( 40.667 -0.000 -27.484) 49.084 16.560 ( -5.351 0.000 -1.977) 5.704 16.655 ( -3.409 0.000 -2.137) 4.024 16.724 ( -1.982 0.000 2.890) 3.505 16.815 ( 2.362 -0.000 1.756) 2.943 17.003 ( 1.201 -0.000 -0.218) 1.220 17.030 ( 0.351 -0.000 -0.838) 0.908 17.181 ( -11.068 0.000 4.845) 12.082 17.259 ( -3.320 0.000 5.529) 6.449 19.662 ( 3.301 -0.000 1.161) 3.499 19.783 ( 7.274 -0.000 -0.247) 7.278 21.515 ( -1.737 0.000 0.449) 1.794 21.583 ( -2.415 0.000 -1.418) 2.800 22.983 ( -8.292 0.000 3.941) 9.181 23.153 ( -4.526 0.000 -5.117) 6.831 27.784 ( -5.796 0.000 7.228) 9.265 28.339 ( 3.843 -0.000 8.058) 8.927 29.417 ( 2.773 -0.000 -3.010) 4.093 29.797 ( 2.534 -0.000 -1.136) 2.777 29.885 ( 0.588 -0.000 2.609) 2.674 29.978 ( -2.791 0.000 -3.383) 4.386 30.808 ( 1.630 -0.000 1.263) 2.062 31.053 ( 0.134 -0.000 1.811) 1.816 31.175 ( 0.750 -0.000 -2.079) 2.210 31.190 ( 3.265 -0.000 -1.663) 3.664 31.882 ( -3.073 0.000 1.805) 3.563 31.921 ( 3.055 -0.000 2.266) 3.803 32.093 ( -0.986 0.000 -1.416) 1.726 32.160 ( -3.002 0.000 -3.178) 4.371 32.301 ( 4.257 -0.000 1.104) 4.398 32.313 ( 1.792 -0.000 0.161) 1.799 32.452 ( 6.262 -0.000 -2.028) 6.583 32.895 ( 24.795 -0.000 -18.514) 30.945 34.355 ( -0.673 0.000 1.868) 1.986 34.389 ( -2.416 0.000 -2.529) 3.497 35.254 ( -17.694 0.000 11.106) 20.891 35.581 ( 2.044 -0.000 7.087) 7.376 35.839 ( -0.179 0.000 -3.311) 3.316 35.878 ( 2.789 -0.000 0.168) 2.794 37.652 ( -17.695 0.000 7.737) 19.313 37.667 ( -8.613 0.000 -5.289) 10.108 ======================= Grid point 94 (36/95) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 4.731 -17.016 17.599) 24.932 1.410 ( -0.004 -8.322 30.427) 31.545 1.658 ( 20.750 -0.289 -6.981) 21.894 1.838 ( 15.082 -8.509 -14.704) 22.718 1.966 ( 23.369 -1.682 23.858) 33.439 2.704 ( -0.696 7.077 -6.074) 9.352 2.799 ( 5.280 4.355 -2.894) 7.431 3.014 ( 1.547 -0.955 2.879) 3.405 3.111 ( 0.455 -2.740 8.458) 8.903 3.240 ( 1.245 -0.327 -0.658) 1.446 3.435 ( 1.666 0.075 -0.606) 1.775 3.503 ( 7.018 -6.562 -18.475) 20.824 3.575 ( 2.796 -0.353 4.989) 5.730 3.659 ( -0.588 -3.302 4.530) 5.637 3.794 ( 3.302 -1.417 -1.519) 3.901 3.838 ( -3.066 -0.279 -8.239) 8.795 3.979 ( 0.899 -5.107 -3.896) 6.486 4.166 ( 0.080 0.295 -0.675) 0.741 4.282 ( 0.417 -1.600 1.590) 2.294 4.344 ( 7.728 1.204 -6.109) 9.924 4.437 ( -9.918 1.573 3.144) 10.523 4.558 ( 4.218 -1.278 1.908) 4.802 4.607 ( 1.745 -3.212 -6.376) 7.349 4.801 ( 3.241 1.304 -3.750) 5.125 4.922 ( 4.641 5.555 -3.849) 8.198 4.953 ( -2.644 -4.282 11.189) 12.269 5.079 ( 1.887 -1.976 -8.300) 8.738 5.446 ( 0.817 -1.133 -1.507) 2.055 5.544 ( 2.833 -1.465 -2.969) 4.358 5.756 ( 1.249 -2.828 -2.368) 3.894 5.884 ( -10.158 3.444 -2.010) 10.913 6.019 ( -8.620 -1.765 -0.231) 8.802 6.167 ( -11.333 3.591 4.512) 12.715 6.472 ( -8.209 -4.257 -2.173) 9.499 7.174 ( -7.748 -0.978 -2.834) 8.308 7.492 ( -1.999 4.351 3.328) 5.831 7.574 ( 0.399 1.305 4.091) 4.313 7.735 ( 5.690 1.833 -3.176) 6.769 8.042 ( -3.409 1.652 8.360) 9.179 8.186 ( -11.319 -0.721 9.392) 14.725 8.364 ( -8.531 3.195 1.420) 9.220 8.433 ( -7.443 -1.988 4.150) 8.751 8.820 ( 2.157 -0.462 0.837) 2.360 8.856 ( -3.272 -0.974 -1.502) 3.729 9.039 ( 2.255 3.341 -0.905) 4.131 9.067 ( 5.957 2.551 1.335) 6.616 9.471 ( -6.897 4.037 2.044) 8.249 9.624 ( -3.664 3.192 -4.055) 6.329 9.955 ( -8.956 1.292 -3.228) 9.608 10.107 ( -5.791 0.932 6.014) 8.401 10.132 ( 0.737 -1.938 -1.301) 2.447 10.457 ( 4.152 -1.281 -2.265) 4.900 10.808 ( 1.049 0.623 -1.195) 1.708 10.882 ( -2.201 -1.681 1.462) 3.131 11.183 ( 10.611 -0.532 -4.402) 11.501 11.265 ( 10.661 -2.762 4.430) 11.870 12.085 ( -7.012 2.419 -1.035) 7.490 12.115 ( -6.599 2.578 0.316) 7.092 12.798 ( -0.586 5.659 -3.276) 6.566 12.934 ( -1.364 -1.402 -2.408) 3.102 13.198 ( -4.639 -1.584 4.109) 6.397 13.259 ( -8.596 1.199 1.008) 8.738 13.527 ( 0.510 -0.040 -0.916) 1.049 13.615 ( 2.605 -0.521 -0.377) 2.683 13.828 ( 2.678 0.679 3.420) 4.396 14.220 ( 4.624 8.590 3.089) 10.233 14.449 ( 14.081 2.125 -0.468) 14.249 14.530 ( 7.579 -4.909 0.465) 9.042 14.833 ( -4.056 -0.563 0.847) 4.182 15.073 ( -3.389 -2.379 0.344) 4.155 15.139 ( 20.781 -4.804 3.862) 21.676 15.462 ( 10.802 1.952 -1.898) 11.140 15.655 ( 8.844 -0.733 1.518) 9.003 15.758 ( 25.182 11.712 -15.000) 31.564 16.505 ( -4.789 -0.049 -1.143) 4.924 16.658 ( -3.517 -5.433 -6.098) 8.892 16.737 ( 1.134 -0.288 2.458) 2.722 16.831 ( 2.055 0.423 1.830) 2.784 17.010 ( 0.757 -0.321 -1.414) 1.636 17.033 ( -1.610 -0.464 2.203) 2.768 17.122 ( -3.746 -0.888 2.165) 4.417 17.236 ( -5.033 -0.015 4.028) 6.447 19.695 ( 4.754 0.987 1.764) 5.166 19.868 ( 8.834 -0.235 -1.365) 8.942 21.462 ( -4.062 3.151 1.211) 5.282 21.541 ( -4.187 0.852 -1.873) 4.665 22.925 ( -9.692 -1.900 3.508) 10.481 23.128 ( -4.062 -3.662 -6.235) 8.294 27.776 ( -1.064 -0.569 4.076) 4.251 28.324 ( -1.018 5.787 7.320) 9.386 29.472 ( 6.905 -1.753 -4.053) 8.196 29.700 ( 1.122 8.434 3.422) 9.171 29.876 ( -0.291 2.807 1.194) 3.064 29.968 ( 0.144 -1.238 -2.156) 2.490 30.846 ( 3.106 -1.237 0.357) 3.362 31.097 ( 2.488 2.403 -2.741) 4.414 31.200 ( -3.834 -11.721 -2.213) 12.529 31.335 ( -0.569 -9.492 2.201) 9.760 31.841 ( -1.945 2.077 4.113) 5.001 31.907 ( 1.107 3.967 -1.374) 4.341 32.093 ( -3.568 -0.775 -3.147) 4.821 32.151 ( -1.478 -2.763 -1.356) 3.414 32.342 ( 3.611 -0.461 -0.640) 3.696 32.360 ( 5.541 -1.366 0.860) 5.771 32.547 ( 8.968 -2.345 0.730) 9.298 33.044 ( 15.003 -0.859 -17.521) 23.083 34.354 ( -1.163 -1.377 2.483) 3.068 34.413 ( -2.071 -5.177 -2.969) 6.318 35.087 ( -14.483 4.804 13.030) 20.065 35.597 ( -5.969 -2.335 3.229) 7.177 35.842 ( 8.864 3.335 1.164) 9.542 35.933 ( 4.179 -1.747 -0.855) 4.609 37.167 ( -12.355 27.437 3.043) 30.244 37.622 ( -7.367 3.059 -1.399) 8.099 ======================= Grid point 95 (37/95) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 1.584 -14.869 16.672) 22.395 1.695 ( 1.991 -16.546 14.071) 21.811 1.870 ( 18.599 -3.401 -3.035) 19.149 2.107 ( 11.824 -12.136 -11.856) 20.680 2.163 ( 14.515 6.876 16.333) 22.907 2.540 ( -3.447 6.549 -4.200) 8.509 2.770 ( 2.299 3.158 -0.931) 4.016 3.019 ( 0.238 1.295 1.144) 1.744 3.181 ( 1.549 -1.224 7.155) 7.422 3.237 ( 0.641 2.920 2.607) 3.966 3.425 ( 1.144 -1.324 -4.810) 5.118 3.583 ( -4.172 -2.528 -7.423) 8.882 3.674 ( 7.714 -2.214 -4.047) 8.988 3.748 ( -1.747 -4.435 7.917) 9.241 3.812 ( 3.328 0.373 -5.439) 6.388 3.895 ( -0.059 -10.078 -7.347) 12.472 4.049 ( 1.762 -4.324 1.598) 4.935 4.209 ( 3.471 -0.092 -0.350) 3.490 4.266 ( 1.799 -2.506 0.629) 3.148 4.373 ( 6.221 1.197 -5.310) 8.266 4.444 ( -2.229 -5.608 4.878) 7.760 4.623 ( 5.611 -1.857 -0.594) 5.940 4.708 ( -0.044 -6.137 -1.333) 6.280 4.810 ( 3.386 1.129 -1.452) 3.853 4.860 ( 1.092 2.142 -3.199) 4.002 5.017 ( 0.108 0.608 8.632) 8.654 5.081 ( -4.517 -1.724 -6.002) 7.708 5.382 ( 1.762 7.549 0.163) 7.753 5.544 ( -0.548 1.459 -4.832) 5.077 5.681 ( -8.244 3.314 -2.110) 9.133 5.860 ( -1.501 -2.116 -1.732) 3.119 5.983 ( -4.281 -2.300 -3.702) 6.109 6.026 ( -8.941 0.402 2.864) 9.397 6.469 ( -7.969 -4.460 -0.764) 9.164 7.145 ( -5.387 -4.008 -1.296) 6.838 7.410 ( -1.006 3.475 2.230) 4.250 7.562 ( -0.906 1.055 2.240) 2.636 7.725 ( 3.702 3.317 -3.194) 5.909 7.990 ( -1.898 4.536 6.321) 8.008 8.163 ( -3.960 1.553 1.053) 4.382 8.249 ( -8.800 -2.027 9.263) 12.937 8.422 ( -6.703 -3.544 3.094) 8.189 8.786 ( 0.150 4.447 -2.298) 5.008 8.862 ( 0.885 0.168 -0.209) 0.925 8.994 ( 1.680 3.184 -2.308) 4.276 9.088 ( 7.716 2.948 -1.011) 8.321 9.333 ( -7.178 4.793 2.135) 8.892 9.513 ( -3.917 4.634 -2.260) 6.475 9.839 ( -8.576 1.031 -2.256) 8.927 10.050 ( -5.011 1.116 4.888) 7.089 10.144 ( -1.702 -0.423 -1.946) 2.620 10.508 ( 3.320 -0.781 -1.457) 3.709 10.819 ( 2.672 -0.221 -1.330) 2.993 10.896 ( -1.905 -1.479 3.373) 4.147 11.275 ( 9.292 -0.217 -4.176) 10.190 11.428 ( 8.799 -3.588 3.609) 10.165 11.972 ( -6.410 2.703 -1.721) 7.166 12.025 ( -2.755 2.398 0.714) 3.721 12.697 ( 0.452 4.941 -2.705) 5.651 12.896 ( -4.391 2.029 -0.821) 4.906 13.170 ( -6.138 0.143 -1.160) 6.248 13.199 ( -3.000 -1.287 1.031) 3.423 13.546 ( 1.421 -1.439 -1.161) 2.332 13.652 ( 1.615 -1.387 1.417) 2.557 13.842 ( 0.427 1.641 6.636) 6.849 14.127 ( 3.192 6.891 1.022) 7.663 14.528 ( 13.280 3.482 -0.552) 13.740 14.623 ( 6.047 0.848 -0.169) 6.108 14.808 ( -3.528 -0.288 1.105) 3.708 15.099 ( -0.832 -3.290 -2.065) 3.972 15.435 ( 15.857 -5.359 5.771) 17.705 15.524 ( 11.115 2.146 -2.740) 11.647 15.716 ( 10.795 6.148 -4.437) 13.192 15.758 ( 7.873 1.775 1.813) 8.272 16.479 ( -3.303 -1.724 1.305) 3.948 16.691 ( -0.754 -2.879 -9.608) 10.059 16.754 ( 0.286 0.329 4.302) 4.324 16.875 ( 2.153 -2.553 1.644) 3.722 17.007 ( -0.668 -0.150 -1.767) 1.895 17.048 ( 1.553 -0.883 0.681) 1.912 17.129 ( -1.751 -1.183 2.094) 2.975 17.193 ( -5.294 -0.576 0.610) 5.360 19.731 ( 4.880 1.048 2.518) 5.590 19.936 ( 8.459 1.247 -2.920) 9.035 21.356 ( -5.522 4.202 2.125) 7.257 21.468 ( -5.238 1.476 -2.464) 5.974 22.895 ( -7.863 -3.260 4.362) 9.565 23.147 ( -2.852 -4.564 -6.389) 8.353 27.796 ( -0.087 -1.169 2.647) 2.895 28.200 ( -2.603 7.832 2.950) 8.765 29.562 ( 6.284 -2.566 -3.936) 7.846 29.612 ( 0.134 4.285 2.428) 4.926 29.815 ( 0.864 4.128 1.109) 4.361 29.994 ( 1.843 -0.558 0.191) 1.935 30.902 ( 3.184 -1.711 0.192) 3.620 31.089 ( 2.274 0.795 -0.985) 2.603 31.325 ( -4.238 -8.626 -2.354) 9.895 31.490 ( -3.847 -10.397 3.401) 11.596 31.780 ( 1.373 6.833 2.662) 7.460 31.859 ( -1.392 -0.158 -1.007) 1.726 32.046 ( -5.122 -0.104 -3.255) 6.070 32.176 ( 0.006 -1.067 0.156) 1.078 32.394 ( 5.039 -1.197 -1.574) 5.413 32.443 ( 4.386 -2.255 -0.176) 4.935 32.665 ( 7.413 -0.968 2.706) 7.950 33.105 ( 7.167 0.453 -12.928) 14.789 34.399 ( -0.960 -3.740 4.086) 5.622 34.496 ( -1.387 -8.053 -4.217) 9.195 34.921 ( -10.424 4.985 11.978) 16.643 35.569 ( -9.670 -2.878 -1.421) 10.189 35.886 ( 12.675 5.226 4.383) 14.393 35.987 ( 1.925 -0.412 0.255) 1.985 36.639 ( -2.784 25.489 -2.630) 25.775 37.466 ( -5.240 7.197 -1.101) 8.970 ======================= Grid point 96 (38/95) ======================= q-point: ( 0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 1.993 -10.047 12.293) 16.001 1.990 ( 1.652 -8.885 9.730) 13.279 2.064 ( 8.885 -4.265 0.177) 9.857 2.153 ( 6.109 6.142 4.770) 9.889 2.337 ( 3.244 -7.280 -9.882) 12.695 2.444 ( 7.471 4.231 -2.900) 9.063 2.728 ( -2.649 3.228 5.414) 6.837 3.037 ( -0.063 -3.201 1.554) 3.559 3.151 ( 1.065 5.718 2.885) 6.493 3.245 ( -0.081 -3.780 5.734) 6.868 3.433 ( 0.957 2.739 -3.624) 4.643 3.525 ( -6.946 -1.466 -9.468) 11.834 3.726 ( -5.742 2.050 5.983) 8.542 3.765 ( 5.364 0.162 -0.699) 5.412 3.839 ( 4.368 0.022 -2.667) 5.118 3.983 ( 0.200 -5.174 -11.621) 12.723 4.162 ( -0.624 -5.688 3.504) 6.710 4.292 ( 1.921 -4.695 -1.547) 5.304 4.407 ( 3.093 -4.656 -1.515) 5.792 4.455 ( 7.520 -5.233 1.445) 9.275 4.553 ( 1.012 -7.697 5.520) 9.526 4.646 ( -2.989 2.839 4.636) 6.204 4.718 ( -1.160 0.934 -2.537) 2.942 4.838 ( 0.583 1.607 -7.682) 7.870 4.891 ( 6.381 -4.350 -0.272) 7.727 4.971 ( 0.696 5.238 6.371) 8.277 5.038 ( -2.773 -1.895 -3.787) 5.062 5.314 ( 2.836 5.567 2.794) 6.844 5.471 ( -4.880 2.041 -3.390) 6.283 5.560 ( 0.060 2.762 -5.558) 6.207 5.859 ( -1.768 -1.282 1.470) 2.633 5.963 ( -1.630 0.485 -4.960) 5.243 6.020 ( -3.467 -3.706 1.137) 5.200 6.457 ( -7.863 -3.383 -0.320) 8.566 7.195 ( -1.796 -5.739 -1.589) 6.220 7.383 ( -0.648 -0.412 1.695) 1.861 7.555 ( 0.548 -1.110 -0.466) 1.323 7.682 ( 0.262 3.245 -1.645) 3.647 7.902 ( 1.449 6.942 2.361) 7.475 8.038 ( -5.553 4.559 1.412) 7.322 8.328 ( -4.041 -7.500 9.046) 12.426 8.445 ( -5.803 -5.464 2.219) 8.273 8.681 ( 0.984 8.268 -0.532) 8.343 8.842 ( 2.104 2.934 -1.801) 4.035 8.979 ( 1.386 -0.438 -1.272) 1.931 9.078 ( 3.002 5.200 -0.822) 6.060 9.209 ( -5.875 2.683 0.696) 6.496 9.397 ( -1.920 4.325 -0.467) 4.755 9.768 ( -5.346 -1.488 -1.473) 5.741 10.018 ( -2.055 -0.028 3.723) 4.252 10.111 ( -2.433 0.517 -2.460) 3.499 10.528 ( 1.608 0.679 -1.223) 2.132 10.848 ( 1.025 -1.125 0.001) 1.522 10.918 ( 0.702 -0.568 3.029) 3.161 11.328 ( 6.546 1.788 -3.460) 7.617 11.539 ( 3.336 -0.946 2.147) 4.078 11.888 ( -3.580 0.680 -1.493) 3.938 11.989 ( -0.014 0.825 0.676) 1.066 12.638 ( 2.480 2.696 -2.551) 4.464 12.810 ( -4.883 1.773 0.535) 5.222 13.117 ( -5.244 -0.531 -0.530) 5.297 13.199 ( -1.156 -1.208 -3.033) 3.463 13.586 ( 1.134 -1.868 -0.847) 2.343 13.695 ( 0.814 -1.575 1.865) 2.573 13.813 ( -1.798 3.536 8.797) 9.650 14.072 ( 3.337 3.955 1.401) 5.361 14.583 ( 11.641 4.208 -0.308) 12.382 14.642 ( 6.018 2.716 -0.770) 6.648 14.785 ( -2.492 -0.203 1.346) 2.839 15.143 ( 1.632 -2.208 -4.268) 5.074 15.562 ( 6.606 1.907 -0.301) 6.882 15.599 ( 5.783 0.664 1.191) 5.941 15.676 ( 2.218 4.559 -1.513) 5.291 15.813 ( 4.481 0.812 2.416) 5.156 16.505 ( -0.861 -2.388 2.639) 3.662 16.690 ( 0.785 -0.515 -5.570) 5.649 16.756 ( -0.475 0.571 2.362) 2.476 16.946 ( 1.088 -3.316 1.071) 3.650 16.995 ( -1.087 0.468 -1.548) 1.949 17.090 ( 3.583 -0.950 -1.065) 3.857 17.116 ( -4.396 -0.876 1.110) 4.617 17.183 ( -2.007 -1.936 -0.580) 2.848 19.759 ( 3.541 1.569 2.857) 4.813 19.967 ( 6.125 2.177 -3.753) 7.506 21.253 ( -4.685 2.426 2.698) 5.926 21.394 ( -4.376 0.537 -2.843) 5.246 22.907 ( -5.508 -3.846 5.277) 8.543 23.184 ( -0.766 -3.942 -6.151) 7.346 27.826 ( 0.047 -1.708 1.864) 2.528 28.060 ( -2.059 6.342 0.362) 6.678 29.554 ( -0.903 2.522 -0.878) 2.819 29.645 ( 3.445 -2.460 -2.246) 4.792 29.781 ( 2.870 2.765 2.895) 4.926 30.007 ( 0.940 1.083 0.450) 1.503 30.956 ( 2.274 -1.298 0.166) 2.624 31.093 ( 1.515 1.049 0.322) 1.871 31.413 ( -2.535 -6.834 -0.716) 7.324 31.616 ( -4.907 -7.907 0.733) 9.335 31.685 ( 2.501 5.917 2.458) 6.878 31.871 ( 0.287 -1.126 1.176) 1.653 31.991 ( -4.873 -0.544 -3.138) 5.821 32.198 ( 2.408 -0.577 0.313) 2.496 32.454 ( 4.167 -0.962 -1.825) 4.650 32.502 ( 2.693 -0.779 -1.142) 3.027 32.716 ( 3.234 1.968 2.278) 4.418 33.107 ( 2.244 0.661 -8.217) 8.544 34.470 ( -1.323 -4.077 5.257) 6.783 34.621 ( -0.351 -7.839 -3.218) 8.481 34.809 ( -6.579 1.108 9.834) 11.884 35.495 ( -12.659 -1.489 -4.589) 13.547 35.873 ( 4.798 10.950 5.324) 13.087 35.990 ( 8.086 2.302 -2.759) 8.848 36.324 ( 6.365 12.868 -2.440) 14.562 37.300 ( -6.133 5.516 -0.677) 8.276 ======================= Grid point 97 (39/95) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -4.102 4.333 7.985) 9.968 2.063 ( 3.874 2.315 11.923) 12.748 2.111 ( -2.498 2.815 0.771) 3.842 2.218 ( 5.214 -1.930 -1.091) 5.666 2.384 ( 5.141 -0.725 -4.716) 7.014 2.457 ( 3.951 3.954 -5.489) 7.834 2.677 ( -3.614 -2.852 9.738) 10.772 3.094 ( -2.421 -6.144 1.165) 6.706 3.130 ( 3.625 3.530 6.615) 8.328 3.318 ( -0.014 6.242 -3.177) 7.004 3.346 ( -4.570 4.442 3.112) 7.092 3.469 ( -0.505 -5.955 -8.362) 10.278 3.661 ( -3.131 0.123 8.101) 8.686 3.786 ( 4.274 1.285 -8.678) 9.758 3.863 ( 3.099 1.497 -1.235) 3.657 4.044 ( 0.228 -5.219 -8.167) 9.695 4.213 ( -9.999 1.752 -2.076) 10.361 4.257 ( -2.015 0.167 1.504) 2.520 4.466 ( -4.012 -3.531 0.168) 5.347 4.538 ( 1.840 3.482 2.242) 4.532 4.574 ( -4.677 -0.737 3.571) 5.930 4.669 ( 2.544 -0.156 3.703) 4.495 4.734 ( -1.490 -0.998 0.370) 1.831 4.817 ( -0.628 -2.116 -4.546) 5.053 4.882 ( 4.114 0.637 -0.679) 4.218 5.002 ( 1.139 1.845 -3.381) 4.016 5.187 ( 9.931 -6.656 0.282) 11.959 5.224 ( 5.101 3.683 1.757) 6.532 5.415 ( -2.345 -0.805 -2.801) 3.740 5.575 ( 8.068 0.267 -1.027) 8.137 5.871 ( -3.112 0.623 0.277) 3.186 5.916 ( -0.561 -1.019 -3.189) 3.395 6.059 ( -1.084 -3.787 -0.938) 4.049 6.445 ( -7.121 -4.191 -0.749) 8.297 7.245 ( -0.283 -1.610 -2.052) 2.624 7.424 ( -0.785 -4.088 -0.386) 4.181 7.603 ( 3.238 2.168 0.215) 3.903 7.642 ( 0.731 -3.331 0.265) 3.421 7.803 ( 1.232 6.146 -1.341) 6.410 7.972 ( -2.604 -1.097 2.931) 4.071 8.424 ( -4.527 -6.250 4.550) 8.958 8.510 ( -2.773 -4.151 0.288) 5.000 8.544 ( 0.313 6.841 6.399) 9.373 8.814 ( 2.525 2.192 -3.656) 4.955 8.964 ( -3.754 3.937 -0.190) 5.443 9.000 ( -1.198 3.581 1.198) 3.962 9.145 ( -3.053 -2.404 -0.194) 3.891 9.367 ( 3.506 0.298 0.006) 3.519 9.784 ( -0.703 -4.055 -0.696) 4.174 10.026 ( -0.712 -1.070 0.949) 1.597 10.102 ( 1.177 -1.687 -0.426) 2.101 10.517 ( 0.355 0.972 -1.599) 1.905 10.866 ( -2.367 -1.071 2.389) 3.529 10.933 ( 3.380 1.949 0.375) 3.920 11.316 ( 3.226 4.134 -2.993) 6.037 11.528 ( -3.463 2.315 1.589) 4.458 11.873 ( -0.736 -1.492 -1.010) 1.946 11.991 ( 0.593 -0.337 0.500) 0.845 12.640 ( 4.587 0.264 -2.960) 5.465 12.774 ( -1.845 -1.091 1.505) 2.619 13.084 ( -5.280 -1.576 -0.455) 5.529 13.200 ( -1.465 -1.818 -4.172) 4.780 13.618 ( 1.257 -0.685 -1.033) 1.765 13.723 ( -0.738 -1.242 1.284) 1.932 13.761 ( -0.761 3.711 9.798) 10.505 14.055 ( 2.548 2.485 3.083) 4.709 14.590 ( 7.011 5.300 -0.532) 8.805 14.664 ( 9.486 3.552 0.308) 10.134 14.790 ( -0.019 -1.782 0.725) 1.924 15.165 ( 1.525 0.018 -5.695) 5.896 15.532 ( -2.789 4.691 2.013) 5.817 15.584 ( -4.838 3.206 -1.632) 6.029 15.606 ( 1.912 3.236 -1.773) 4.156 15.790 ( -1.905 4.328 2.355) 5.283 16.522 ( 0.351 1.172 2.239) 2.552 16.715 ( 0.126 -1.322 3.752) 3.980 16.749 ( 2.381 -0.241 -4.491) 5.089 16.959 ( -2.493 1.348 0.273) 2.847 17.000 ( -0.127 -1.870 -0.470) 1.933 17.089 ( -1.620 -0.877 -4.310) 4.687 17.147 ( 0.965 -2.319 1.354) 2.854 17.197 ( -0.596 -1.083 0.236) 1.258 19.754 ( 1.088 2.660 2.690) 3.937 19.954 ( 2.618 3.120 -3.928) 5.659 21.223 ( -1.657 -1.696 2.795) 3.665 21.365 ( -1.819 -1.741 -2.945) 3.875 22.943 ( -3.393 -3.574 5.589) 7.451 23.224 ( 1.280 -2.657 -5.976) 6.664 27.861 ( -0.278 -1.754 1.426) 2.278 27.964 ( -0.984 3.222 -0.236) 3.377 29.507 ( -0.408 2.224 -0.247) 2.274 29.688 ( 1.343 -0.612 -1.759) 2.296 29.784 ( 2.291 1.280 2.527) 3.644 29.978 ( -1.495 1.820 -0.186) 2.362 30.984 ( 0.871 -0.207 0.439) 0.997 31.081 ( 0.831 1.928 0.640) 2.195 31.499 ( -0.688 -4.881 0.259) 4.936 31.591 ( 3.080 5.090 0.876) 6.013 31.734 ( -3.424 -6.929 1.034) 7.798 31.881 ( -0.874 0.178 1.060) 1.386 31.985 ( -0.403 -3.131 -1.524) 3.506 32.247 ( 5.251 -0.683 -0.008) 5.295 32.487 ( 2.212 -0.024 -2.589) 3.405 32.511 ( 1.135 1.246 -1.901) 2.540 32.681 ( 0.026 4.289 1.504) 4.545 33.080 ( -1.987 0.449 -6.047) 6.381 34.519 ( -2.170 -0.576 6.742) 7.106 34.660 ( -1.467 -0.621 5.523) 5.748 34.888 ( -0.908 -9.897 2.156) 10.169 35.341 ( -13.293 2.458 -7.314) 15.370 35.742 ( 4.448 8.288 2.022) 9.621 36.036 ( 9.210 2.706 -4.647) 10.665 36.261 ( 8.414 3.856 2.136) 9.499 37.174 ( -8.702 0.789 -0.477) 8.750 ======================= Grid point 98 (40/95) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -12.485 13.459 6.440) 19.455 1.899 ( -4.036 15.704 11.451) 19.850 2.031 ( -7.509 7.060 4.028) 11.066 2.255 ( 5.813 1.765 0.129) 6.077 2.348 ( 4.281 9.367 -4.872) 11.393 2.522 ( 4.068 -10.458 -3.537) 11.766 2.857 ( 4.282 -8.345 10.311) 13.939 3.039 ( -3.130 11.256 6.696) 13.466 3.113 ( -3.758 9.311 -3.576) 10.658 3.179 ( -0.193 7.643 0.938) 7.703 3.214 ( 0.467 -4.489 2.883) 5.355 3.551 ( 0.506 -2.918 -3.345) 4.468 3.702 ( -1.058 4.101 -2.624) 4.982 3.755 ( -1.028 -3.416 2.551) 4.385 3.855 ( 1.813 1.209 -11.846) 12.045 3.999 ( -7.914 1.357 2.101) 8.300 4.133 ( -3.674 -4.012 -3.292) 6.358 4.306 ( 2.165 -2.535 -3.283) 4.679 4.409 ( -2.621 6.582 0.380) 7.095 4.465 ( -3.444 0.559 -2.083) 4.064 4.557 ( -1.750 1.103 2.327) 3.113 4.648 ( -3.775 4.901 4.465) 7.630 4.701 ( -1.037 0.663 3.924) 4.112 4.813 ( 1.448 2.934 -5.849) 6.702 4.958 ( 0.336 -6.514 -3.052) 7.201 5.015 ( 2.684 -1.950 3.051) 4.507 5.121 ( 6.901 8.170 -3.318) 11.197 5.393 ( -0.806 -3.338 0.269) 3.445 5.417 ( 2.926 3.202 -2.441) 4.977 5.723 ( 14.884 -6.155 -0.714) 16.122 5.816 ( -0.578 0.195 1.076) 1.237 5.980 ( 0.776 -5.439 -3.787) 6.673 6.138 ( 2.693 -5.886 -1.678) 6.686 6.453 ( -7.372 -5.181 -1.509) 9.136 7.255 ( 0.727 -0.397 -1.783) 1.966 7.441 ( -0.592 0.617 -0.277) 0.899 7.582 ( 0.067 1.450 -0.434) 1.515 7.704 ( -0.058 0.943 -2.448) 2.624 7.795 ( 5.035 -3.982 2.058) 6.741 8.042 ( 0.609 -7.463 1.112) 7.570 8.407 ( -0.802 6.561 8.036) 10.405 8.495 ( -4.514 -6.304 4.327) 8.879 8.615 ( 2.254 -2.726 2.145) 4.137 8.786 ( 1.406 2.394 -1.889) 3.358 8.860 ( -8.271 -0.539 -0.498) 8.304 8.912 ( -3.682 3.147 0.465) 4.865 9.224 ( 1.619 -5.489 1.330) 5.875 9.438 ( 4.116 -4.354 -1.145) 6.100 9.872 ( 3.657 -4.467 -0.106) 5.774 10.046 ( -1.564 -2.955 -1.033) 3.499 10.180 ( 4.671 -3.023 2.079) 5.939 10.494 ( -1.143 0.909 -1.986) 2.465 10.855 ( -1.669 0.372 1.747) 2.445 10.922 ( 3.236 2.829 -0.624) 4.344 11.236 ( 0.597 6.429 -2.623) 6.969 11.423 ( -8.447 3.769 2.013) 9.466 11.917 ( 1.900 -3.423 -0.389) 3.934 12.017 ( 0.975 -2.115 0.007) 2.329 12.695 ( 6.130 -1.575 -3.038) 7.021 12.804 ( -1.408 -3.228 1.172) 3.711 13.060 ( -6.113 -2.014 0.480) 6.454 13.218 ( -1.435 -3.599 -3.280) 5.076 13.615 ( 0.656 1.531 -0.341) 1.700 13.722 ( 0.155 2.112 1.958) 2.884 13.762 ( 0.903 -1.029 7.971) 8.088 14.052 ( 2.238 1.804 3.222) 4.318 14.553 ( 6.267 6.364 -0.069) 8.931 14.693 ( 10.332 4.561 1.099) 11.347 14.843 ( 1.757 -2.921 0.348) 3.426 15.119 ( -3.439 3.562 -4.823) 6.912 15.368 ( -12.966 6.496 -0.010) 14.502 15.444 ( -8.496 4.028 -0.761) 9.433 15.549 ( 0.498 4.580 -2.862) 5.424 15.669 ( -5.640 5.909 2.434) 8.523 16.503 ( 1.024 2.190 3.404) 4.176 16.716 ( 0.322 0.951 1.313) 1.653 16.803 ( 3.667 -1.794 -2.150) 4.614 16.915 ( -2.027 1.073 0.829) 2.439 16.997 ( -2.514 -0.177 -2.510) 3.557 17.078 ( -0.496 -0.061 -4.190) 4.220 17.200 ( 0.821 -2.632 0.811) 2.874 17.206 ( -0.508 -0.386 1.632) 1.752 19.714 ( -0.471 3.005 2.127) 3.712 19.896 ( 0.001 3.565 -3.967) 5.333 21.286 ( 0.544 -4.919 2.596) 5.588 21.398 ( 0.624 -3.753 -2.817) 4.734 22.992 ( -1.404 -3.136 5.162) 6.200 23.258 ( 2.630 -1.208 -5.852) 6.529 27.873 ( -2.198 -0.347 3.297) 3.978 27.947 ( 0.969 -1.488 -1.669) 2.437 29.465 ( 0.004 3.305 2.220) 3.981 29.684 ( 0.218 1.330 -1.441) 1.973 29.785 ( 0.905 0.962 1.073) 1.701 29.935 ( -2.913 0.079 -1.231) 3.164 30.985 ( -0.362 0.674 1.146) 1.377 31.049 ( 0.515 2.638 0.076) 2.689 31.538 ( 1.920 1.618 2.279) 3.391 31.562 ( 2.429 1.990 1.432) 3.451 31.810 ( -3.124 -6.190 -2.085) 7.241 31.886 ( -1.262 -2.233 0.175) 2.571 32.056 ( 4.203 -2.773 0.615) 5.073 32.297 ( 3.388 0.576 0.528) 3.477 32.468 ( -1.333 2.363 -1.064) 2.915 32.491 ( 0.746 1.160 -4.900) 5.090 32.611 ( 4.543 5.304 -0.139) 6.985 33.006 ( -7.593 1.049 -7.551) 10.760 34.479 ( -1.762 4.106 6.274) 7.703 34.733 ( 0.351 -5.382 11.549) 12.747 34.977 ( -0.108 3.193 -2.140) 3.845 35.218 ( -10.121 -7.264 -3.746) 13.009 35.700 ( 4.168 2.937 1.563) 5.333 36.006 ( -2.057 3.045 -2.311) 4.341 36.390 ( 19.279 -3.114 -0.728) 19.542 37.111 ( -12.436 -5.511 -0.447) 13.609 ======================= Grid point 99 (41/95) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -12.416 17.648 9.120) 23.426 1.596 ( -5.011 20.318 16.926) 26.915 1.809 ( -10.760 8.242 2.488) 13.780 2.139 ( -1.999 16.020 -3.188) 16.456 2.278 ( 4.061 5.214 0.996) 6.684 2.645 ( 1.338 6.844 -5.333) 8.779 2.758 ( 1.893 5.002 3.848) 6.588 2.893 ( -3.587 6.616 4.961) 9.014 3.107 ( -0.097 -2.810 5.877) 6.515 3.180 ( 3.055 -6.642 1.989) 7.577 3.274 ( 2.932 -0.329 2.852) 4.104 3.556 ( -4.781 3.628 -3.110) 6.760 3.592 ( -0.142 -1.051 -4.538) 4.661 3.771 ( 4.645 5.201 -7.112) 9.960 3.816 ( -3.015 -0.846 1.091) 3.316 3.970 ( 0.335 0.588 -3.470) 3.535 4.108 ( -3.925 0.406 -2.885) 4.888 4.254 ( -5.453 4.146 1.290) 6.971 4.375 ( -0.563 2.422 -6.040) 6.532 4.393 ( 2.829 3.086 -3.040) 5.174 4.474 ( -1.885 3.927 4.694) 6.404 4.643 ( -2.021 -3.949 2.373) 5.031 4.667 ( 1.627 4.597 2.633) 5.542 4.784 ( 0.496 -1.209 -2.805) 3.095 5.012 ( 0.167 2.345 -3.108) 3.897 5.033 ( -0.836 5.828 1.138) 5.997 5.105 ( 1.566 -6.908 -0.562) 7.105 5.311 ( 0.150 6.235 -3.147) 6.985 5.430 ( 2.943 -0.829 -1.121) 3.257 5.866 ( 4.681 -2.004 2.255) 5.569 5.946 ( 7.100 -6.188 -2.175) 9.665 6.059 ( 2.265 -3.719 -7.741) 8.881 6.288 ( 4.219 -6.809 -1.267) 8.110 6.475 ( -4.881 -5.915 -3.067) 8.259 7.263 ( 1.095 -0.355 -1.286) 1.726 7.442 ( -0.628 -1.237 4.005) 4.238 7.533 ( -0.722 2.708 -5.530) 6.199 7.680 ( -0.992 -0.185 -1.875) 2.129 7.923 ( 5.157 -3.178 3.770) 7.135 8.200 ( -0.652 -9.721 -0.801) 9.775 8.377 ( -0.110 -0.885 13.468) 13.497 8.562 ( -3.024 -2.868 8.870) 9.800 8.649 ( 4.717 1.463 1.577) 5.185 8.763 ( -2.021 -0.094 0.106) 2.026 8.846 ( -3.296 0.088 -0.738) 3.379 8.865 ( -3.585 -6.523 -2.397) 7.820 9.339 ( 0.929 -6.144 2.310) 6.629 9.559 ( 2.531 -6.276 -3.589) 7.660 9.982 ( 6.519 -2.493 -0.230) 6.983 10.089 ( -2.566 -4.541 -0.276) 5.223 10.265 ( 1.763 -1.218 3.551) 4.147 10.453 ( -1.113 1.216 -3.173) 3.576 10.847 ( -0.345 0.023 0.876) 0.942 10.903 ( 4.314 2.758 -2.206) 5.576 11.116 ( 1.261 7.654 -0.773) 7.796 11.268 ( -10.723 4.273 1.646) 11.660 12.015 ( 2.972 -5.150 0.500) 5.967 12.083 ( 1.203 -4.467 -0.376) 4.641 12.781 ( 5.423 -2.698 -2.320) 6.486 12.846 ( -3.235 -4.384 -1.265) 5.593 13.060 ( -3.866 -3.631 4.203) 6.767 13.269 ( -0.958 -4.397 -1.578) 4.768 13.595 ( 0.831 1.794 1.103) 2.264 13.687 ( 0.819 2.671 -0.389) 2.821 13.813 ( -1.336 -1.387 8.810) 9.018 14.055 ( 3.088 1.740 0.836) 3.641 14.501 ( 7.030 7.665 0.481) 10.412 14.709 ( 9.449 5.473 0.094) 10.920 14.898 ( -0.890 -1.295 2.471) 2.928 14.945 ( -10.843 7.251 0.159) 13.046 15.095 ( -16.563 6.532 -2.593) 17.992 15.318 ( -4.608 2.387 -4.831) 7.090 15.468 ( 0.344 4.934 -0.598) 4.982 15.523 ( -5.243 5.097 1.068) 7.391 16.505 ( 1.542 0.050 3.768) 4.072 16.709 ( 1.406 1.141 -0.124) 1.815 16.818 ( 0.031 1.829 -0.516) 1.901 16.917 ( 2.300 -0.906 1.050) 2.686 16.955 ( -3.058 0.643 -4.710) 5.652 17.053 ( -1.020 1.019 -2.181) 2.614 17.211 ( -1.863 -0.914 3.501) 4.070 17.250 ( 1.293 -1.727 0.121) 2.161 19.668 ( -0.626 2.372 1.367) 2.809 19.827 ( -0.146 2.923 -4.205) 5.123 21.386 ( 0.073 -5.297 2.118) 5.705 21.472 ( 1.668 -4.288 -2.356) 5.169 23.049 ( -0.105 -2.921 3.802) 4.795 23.277 ( 2.899 0.200 -5.608) 6.317 27.871 ( -4.996 -2.029 6.316) 8.305 27.999 ( 2.569 -3.274 -2.805) 5.019 29.409 ( 0.628 4.522 4.869) 6.675 29.640 ( -1.849 2.639 -0.369) 3.243 29.788 ( 1.056 -0.268 0.171) 1.103 29.922 ( -1.753 -1.970 -2.783) 3.834 30.951 ( -2.136 2.780 2.385) 4.241 31.020 ( 1.517 1.317 -1.855) 2.734 31.507 ( 4.501 6.599 2.548) 8.384 31.571 ( -0.685 -1.541 4.053) 4.389 31.866 ( -2.643 -4.430 -3.772) 6.390 31.917 ( -1.316 -2.734 -3.221) 4.425 32.147 ( 6.184 -1.582 1.874) 6.652 32.289 ( -0.726 1.528 1.007) 1.969 32.397 ( -4.056 2.745 -1.270) 5.059 32.424 ( -2.579 3.684 -0.776) 4.564 32.619 ( 16.654 6.196 -6.498) 18.920 32.847 ( -12.572 3.214 -12.890) 18.290 34.415 ( -0.588 3.958 5.540) 6.834 34.804 ( 2.492 9.846 -5.202) 11.411 34.933 ( -3.074 -10.773 18.154) 21.333 35.299 ( -6.048 -8.736 1.191) 10.692 35.717 ( 3.740 0.704 2.729) 4.683 35.921 ( -5.280 1.756 -0.244) 5.570 36.688 ( 23.262 -7.205 -1.354) 24.390 37.132 ( -15.337 -14.199 -1.013) 20.925 ======================= Grid point 100 (42/95) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 3.409 15.466 16.943) 23.193 1.243 ( -1.858 23.761 18.270) 30.030 1.599 ( -6.354 9.325 12.438) 16.794 1.795 ( -9.411 15.089 -3.347) 18.096 2.068 ( 0.520 17.950 -5.127) 18.675 2.593 ( 8.228 0.423 -1.065) 8.307 2.691 ( -2.611 4.519 6.488) 8.327 2.886 ( 1.176 -2.537 1.018) 2.976 3.183 ( -1.359 0.835 5.751) 5.968 3.237 ( -0.396 -2.768 1.353) 3.107 3.339 ( 2.467 -1.289 3.346) 4.352 3.468 ( -1.239 2.009 -3.851) 4.517 3.571 ( 0.681 1.484 -8.063) 8.227 3.717 ( 5.503 4.004 -7.142) 9.866 3.771 ( -2.082 2.767 1.683) 3.851 3.940 ( 2.098 3.519 -3.472) 5.370 4.087 ( 0.071 -1.491 -1.430) 2.067 4.143 ( -4.268 3.354 -3.685) 6.561 4.287 ( 5.274 5.999 0.965) 8.045 4.363 ( -1.623 0.778 -1.393) 2.276 4.473 ( -0.395 -1.374 0.338) 1.469 4.584 ( -4.439 2.600 2.142) 5.572 4.685 ( 2.394 0.582 -3.254) 4.081 4.808 ( -0.418 0.254 -5.154) 5.177 4.883 ( -4.106 5.936 0.578) 7.241 4.962 ( -0.484 1.819 1.440) 2.370 5.193 ( 2.506 1.447 -4.634) 5.463 5.278 ( 0.816 -2.938 6.209) 6.917 5.482 ( 5.548 -0.897 -1.478) 5.811 5.918 ( -0.056 0.035 -10.982) 10.983 6.021 ( 0.069 -1.288 -4.477) 4.660 6.126 ( 3.733 -3.047 -2.365) 5.368 6.358 ( -4.244 -1.628 0.425) 4.565 6.548 ( 1.757 -4.267 -3.985) 6.097 7.296 ( 0.116 -3.092 0.199) 3.101 7.462 ( 0.277 2.763 -2.251) 3.575 7.485 ( -1.578 -3.163 3.106) 4.705 7.690 ( 0.261 -1.824 -2.721) 3.286 8.008 ( 1.114 -2.248 5.835) 6.351 8.290 ( -4.503 -5.523 -5.321) 8.894 8.502 ( -3.998 -6.028 16.498) 18.014 8.610 ( 1.562 -0.185 8.382) 8.529 8.673 ( 0.320 -2.146 5.527) 5.938 8.791 ( 0.527 -5.385 3.846) 6.638 8.864 ( -0.052 -4.794 0.853) 4.869 8.942 ( 2.124 -3.438 -4.982) 6.415 9.461 ( -0.368 -7.445 1.920) 7.697 9.652 ( -0.370 -5.150 -5.662) 7.663 10.060 ( 4.457 -0.260 -0.386) 4.482 10.138 ( -1.195 -3.369 -0.516) 3.612 10.248 ( -5.381 1.639 4.844) 7.423 10.437 ( 2.063 0.672 -4.283) 4.801 10.820 ( -4.129 0.840 0.752) 4.280 10.928 ( 9.893 1.350 -4.856) 11.103 11.032 ( 5.948 6.241 2.904) 9.098 11.103 ( -9.852 3.754 0.749) 10.569 12.126 ( 0.465 -5.301 1.506) 5.530 12.170 ( -0.541 -5.126 -0.356) 5.167 12.846 ( -3.904 -4.498 -0.231) 5.961 12.910 ( 3.900 -4.025 -3.743) 6.739 13.133 ( -0.374 -4.695 7.072) 8.496 13.332 ( -0.912 -4.584 0.595) 4.712 13.571 ( 0.320 2.035 0.743) 2.190 13.654 ( -0.883 1.220 -1.284) 1.979 13.804 ( -8.341 0.865 9.246) 12.483 14.048 ( 3.255 2.493 -1.082) 4.240 14.425 ( 2.715 7.517 1.669) 8.165 14.576 ( -13.503 8.919 -5.538) 17.104 14.790 ( 7.924 5.671 2.442) 10.046 14.869 ( 8.070 3.412 4.130) 9.686 14.974 ( -3.568 -0.465 -0.244) 3.606 15.265 ( 1.292 -0.256 -6.021) 6.164 15.346 ( -7.604 4.684 3.075) 9.446 15.466 ( 5.177 2.792 -1.289) 6.021 16.552 ( 0.995 -2.671 2.609) 3.864 16.700 ( 1.580 1.500 -1.494) 2.642 16.776 ( -0.345 2.139 0.755) 2.294 16.888 ( -3.512 1.898 -4.396) 5.938 16.968 ( 3.326 -0.863 0.930) 3.560 17.018 ( -0.556 1.299 -0.733) 1.592 17.224 ( -4.759 -2.677 6.017) 8.125 17.280 ( 0.665 -0.685 0.373) 1.025 19.636 ( -0.106 1.327 0.866) 1.588 19.780 ( 1.508 1.979 -4.540) 5.177 21.463 ( -1.333 -3.913 1.544) 4.412 21.546 ( 1.316 -3.347 -1.794) 4.019 23.096 ( -1.442 -1.929 1.558) 2.868 23.269 ( 1.539 1.664 -5.062) 5.546 27.876 ( -10.413 -4.077 9.105) 14.421 28.091 ( 5.152 -4.364 -1.965) 7.032 29.387 ( 3.816 1.682 8.113) 9.122 29.569 ( -2.854 2.475 0.193) 3.783 29.812 ( 1.384 -1.060 0.333) 1.775 29.949 ( 0.084 -3.100 -3.560) 4.721 30.880 ( -2.531 3.425 2.683) 5.034 31.023 ( 2.316 -0.414 -3.412) 4.144 31.425 ( 2.942 8.268 2.576) 9.146 31.608 ( -2.056 -0.975 3.362) 4.060 31.846 ( -4.792 1.908 -7.548) 9.143 31.930 ( -2.814 -3.222 -5.935) 7.316 32.221 ( 2.219 -0.570 1.987) 3.033 32.263 ( 0.151 1.181 0.792) 1.431 32.302 ( -1.879 3.673 -0.913) 4.226 32.346 ( -0.502 3.931 -1.734) 4.326 32.563 ( -9.933 7.654 -3.478) 13.014 32.681 ( 20.919 8.858 -19.311) 29.816 34.372 ( -0.071 2.499 4.338) 5.007 34.625 ( -0.501 9.252 -5.526) 10.788 35.201 ( -7.212 -16.592 21.377) 28.005 35.382 ( 0.648 -4.851 1.699) 5.180 35.755 ( 0.680 -1.367 5.566) 5.771 35.870 ( 0.406 1.022 0.273) 1.133 37.000 ( 7.301 -12.280 9.686) 17.260 37.340 ( -2.425 -21.557 -4.229) 22.102 ======================= Grid point 103 (43/95) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 6.407 -0.000 18.492) 19.570 1.394 ( -4.105 0.000 27.071) 27.381 1.826 ( 10.847 -0.000 -8.777) 13.953 1.858 ( 21.090 -0.000 -2.234) 21.208 2.317 ( 29.273 -0.000 17.715) 34.216 2.777 ( -3.520 0.000 -3.733) 5.131 2.855 ( 3.960 -0.000 -2.596) 4.735 3.062 ( -4.451 0.000 8.571) 9.658 3.073 ( 8.748 -0.000 -1.857) 8.943 3.271 ( 8.658 -0.000 -9.629) 12.949 3.403 ( -2.785 0.000 -14.541) 14.805 3.448 ( 2.778 -0.000 0.638) 2.851 3.602 ( -0.506 0.000 10.212) 10.225 3.661 ( -0.495 0.000 7.362) 7.378 3.751 ( -1.985 0.000 -6.087) 6.403 3.818 ( 0.344 -0.000 -11.274) 11.279 3.957 ( 6.014 -0.000 -2.742) 6.609 4.193 ( 4.958 -0.000 0.207) 4.963 4.271 ( 2.497 -0.000 2.377) 3.448 4.346 ( -13.001 0.000 3.113) 13.368 4.443 ( 9.803 -0.000 -8.763) 13.149 4.565 ( 2.807 -0.000 3.908) 4.812 4.603 ( 4.532 -0.000 -9.209) 10.263 4.829 ( 2.232 -0.000 -5.053) 5.524 4.879 ( -3.329 0.000 8.290) 8.934 5.042 ( 5.742 -0.000 -4.595) 7.355 5.132 ( 7.011 -0.000 -3.633) 7.896 5.346 ( -2.410 0.000 -0.314) 2.430 5.580 ( 3.543 -0.000 1.078) 3.703 5.741 ( -1.608 0.000 -0.825) 1.807 5.858 ( -8.380 0.000 -1.627) 8.536 5.881 ( -7.897 0.000 -0.515) 7.914 6.120 ( -11.464 0.000 4.672) 12.380 6.299 ( -13.806 0.000 -2.919) 14.112 7.081 ( -8.145 0.000 -0.805) 8.184 7.523 ( -2.650 0.000 4.514) 5.234 7.601 ( 0.442 -0.000 1.914) 1.964 7.807 ( 6.002 -0.000 -0.696) 6.043 8.037 ( -5.482 0.000 8.785) 10.355 8.068 ( -13.650 0.000 11.509) 17.854 8.338 ( -4.690 0.000 -5.257) 7.045 8.352 ( -7.043 0.000 4.339) 8.272 8.809 ( -0.137 0.000 -1.435) 1.441 8.851 ( 2.744 -0.000 -0.850) 2.873 9.079 ( 1.411 -0.000 -2.009) 2.455 9.141 ( 5.755 -0.000 -1.463) 5.938 9.440 ( -8.221 0.000 2.819) 8.691 9.596 ( -5.097 0.000 -3.651) 6.269 9.876 ( -8.634 0.000 -3.297) 9.242 10.069 ( -6.040 0.000 3.137) 6.806 10.124 ( -0.639 0.000 3.622) 3.678 10.488 ( 6.056 -0.000 -3.404) 6.947 10.819 ( 0.365 -0.000 -0.158) 0.398 10.861 ( -0.022 0.000 1.918) 1.918 11.262 ( 9.870 -0.000 -4.436) 10.821 11.360 ( 11.013 -0.000 4.573) 11.925 12.027 ( -7.628 0.000 -1.507) 7.775 12.075 ( -6.387 0.000 0.266) 6.392 12.863 ( -1.607 0.000 -1.423) 2.147 12.898 ( 4.211 -0.000 -6.601) 7.830 13.130 ( -7.887 0.000 5.103) 9.394 13.180 ( -9.126 0.000 -0.667) 9.150 13.536 ( 1.846 -0.000 -2.015) 2.733 13.625 ( 0.429 -0.000 0.364) 0.563 13.865 ( 2.137 -0.000 3.606) 4.192 14.336 ( -2.927 0.000 3.832) 4.822 14.577 ( 15.425 -0.000 -2.692) 15.658 14.628 ( 15.899 -0.000 0.729) 15.916 14.795 ( -3.312 0.000 0.459) 3.344 15.032 ( -1.157 0.000 0.845) 1.433 15.313 ( 21.203 -0.000 5.497) 21.904 15.584 ( 11.155 -0.000 0.099) 11.156 15.735 ( 8.340 -0.000 2.595) 8.735 16.030 ( 14.546 -0.000 -16.962) 22.345 16.473 ( 0.631 -0.000 -6.578) 6.608 16.521 ( -8.036 0.000 0.800) 8.076 16.760 ( 2.231 -0.000 2.335) 3.230 16.844 ( -1.059 0.000 0.675) 1.256 17.005 ( -0.896 0.000 0.660) 1.113 17.024 ( 1.012 -0.000 0.954) 1.390 17.088 ( -1.887 0.000 -0.546) 1.964 17.198 ( -6.176 0.000 4.892) 7.878 19.771 ( 7.589 -0.000 0.674) 7.619 19.964 ( 10.936 -0.000 1.118) 10.993 21.447 ( -6.189 0.000 1.598) 6.392 21.488 ( -6.613 0.000 -1.894) 6.879 22.824 ( -9.741 0.000 4.083) 10.562 23.032 ( -4.102 0.000 -7.150) 8.243 27.777 ( -0.082 0.000 2.878) 2.879 28.361 ( -6.369 0.000 8.343) 10.496 29.538 ( 11.132 -0.000 -4.993) 12.201 29.809 ( -0.707 0.000 2.173) 2.285 29.888 ( -4.056 0.000 -3.056) 5.078 29.923 ( 1.068 -0.000 3.029) 3.212 30.882 ( 6.093 -0.000 -1.619) 6.304 31.062 ( -0.238 0.000 1.968) 1.982 31.178 ( 0.829 -0.000 -2.083) 2.242 31.225 ( 0.990 -0.000 -0.034) 0.990 31.811 ( -5.206 0.000 2.240) 5.668 31.992 ( 2.145 -0.000 1.763) 2.777 32.059 ( -5.307 0.000 -2.802) 6.001 32.100 ( 3.051 -0.000 -2.157) 3.737 32.386 ( 5.981 -0.000 0.856) 6.041 32.391 ( 4.242 -0.000 -1.799) 4.608 32.628 ( 10.632 -0.000 3.846) 11.307 33.111 ( 10.148 -0.000 -16.298) 19.199 34.333 ( -1.903 0.000 -1.614) 2.495 34.349 ( -0.596 0.000 1.114) 1.263 35.027 ( -14.274 0.000 13.226) 19.460 35.484 ( -11.174 0.000 -1.045) 11.223 35.972 ( 11.456 -0.000 3.451) 11.964 35.984 ( 8.782 -0.000 -2.091) 9.027 37.376 ( -16.239 0.000 9.457) 18.792 37.451 ( -8.264 0.000 -10.200) 13.128 ======================= Grid point 104 (44/95) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 4.555 -13.230 14.964) 20.486 1.507 ( -1.955 -9.926 16.751) 19.569 1.960 ( 9.112 -6.299 -4.010) 11.781 2.037 ( 14.446 -0.601 0.669) 14.474 2.536 ( 18.400 6.769 9.869) 21.950 2.628 ( -2.118 8.661 -1.880) 9.112 2.897 ( 4.237 2.640 -1.013) 5.094 2.976 ( -3.437 1.297 2.218) 4.291 3.203 ( 4.549 -3.804 1.586) 6.138 3.334 ( -2.579 1.724 -11.295) 11.713 3.344 ( 7.361 -0.047 -1.465) 7.506 3.515 ( -0.365 -1.986 -2.950) 3.575 3.649 ( 1.692 -5.730 4.021) 7.202 3.697 ( -0.337 -3.798 5.847) 6.980 3.748 ( -0.145 -3.932 -5.784) 6.995 3.806 ( -0.558 -0.053 -3.937) 3.977 4.024 ( 3.075 -2.698 -1.526) 4.366 4.212 ( -5.042 1.173 0.116) 5.178 4.274 ( 8.261 -1.709 -1.439) 8.558 4.363 ( 2.485 -3.680 4.744) 6.498 4.440 ( 2.500 3.237 -9.741) 10.565 4.631 ( 2.143 -3.347 -2.749) 4.833 4.661 ( 8.752 -1.969 -1.532) 9.100 4.833 ( 3.061 -0.025 -0.158) 3.065 4.910 ( -1.487 -1.042 -0.350) 1.849 5.028 ( 4.071 5.896 -0.764) 7.206 5.096 ( 0.740 2.259 3.855) 4.529 5.425 ( 0.179 -2.719 -2.643) 3.796 5.599 ( 2.569 2.728 -0.083) 3.749 5.655 ( -7.126 2.252 -0.276) 7.478 5.791 ( -1.625 -1.508 -2.519) 3.356 5.881 ( -4.832 -3.844 -0.837) 6.231 5.957 ( -11.171 3.214 1.324) 11.700 6.257 ( -12.699 -8.265 -1.199) 15.200 7.032 ( -6.464 -2.632 1.952) 7.247 7.475 ( -1.729 3.749 3.517) 5.424 7.582 ( -1.124 2.225 1.504) 2.912 7.811 ( 1.828 3.792 -2.152) 4.727 8.010 ( -5.890 -0.731 8.768) 10.588 8.051 ( -8.104 -6.428 8.043) 13.103 8.245 ( -2.021 4.312 -2.662) 5.456 8.326 ( -5.552 -1.703 1.947) 6.125 8.806 ( -0.671 -0.339 -3.655) 3.731 8.879 ( 4.925 0.886 -0.497) 5.029 9.059 ( 0.957 2.823 -2.489) 3.884 9.181 ( 6.390 0.841 -4.576) 7.904 9.338 ( -8.299 3.607 3.729) 9.787 9.517 ( -5.439 2.090 -2.608) 6.384 9.771 ( -8.123 1.614 -2.372) 8.615 10.030 ( -5.344 -0.919 3.531) 6.470 10.117 ( -2.497 0.514 2.756) 3.755 10.534 ( 5.121 0.120 -3.277) 6.081 10.829 ( 0.692 -0.544 0.038) 0.881 10.879 ( 1.025 -0.866 3.075) 3.355 11.347 ( 9.676 -0.424 -4.367) 10.625 11.485 ( 9.368 -1.317 3.982) 10.264 11.941 ( -6.396 1.563 -1.439) 6.740 12.015 ( -4.655 0.493 0.358) 4.694 12.795 ( 2.011 5.211 -3.046) 6.362 12.898 ( -1.702 2.597 -1.739) 3.559 13.095 ( -5.702 -1.565 -1.839) 6.192 13.108 ( -7.846 -2.869 1.443) 8.478 13.553 ( 3.356 -0.054 -2.726) 4.324 13.636 ( -0.725 -1.472 1.450) 2.189 13.888 ( 1.291 0.956 5.671) 5.894 14.257 ( -2.314 5.482 2.980) 6.655 14.705 ( 13.461 1.743 -2.644) 13.828 14.733 ( 9.121 2.294 -1.880) 9.592 14.784 ( 0.686 -0.549 1.145) 1.443 15.057 ( 2.607 -1.937 -0.089) 3.249 15.538 ( 15.754 -2.215 6.231) 17.085 15.666 ( 10.649 2.390 -0.253) 10.917 15.816 ( 6.534 0.171 2.131) 6.874 15.965 ( 4.816 10.367 -5.447) 12.662 16.425 ( -3.455 -0.506 0.158) 3.495 16.581 ( 0.925 -6.575 -8.619) 10.880 16.784 ( 1.264 0.566 3.533) 3.795 16.842 ( -1.628 -1.814 0.877) 2.590 16.997 ( -0.814 0.006 0.507) 0.959 17.056 ( 3.870 -0.754 -1.569) 4.243 17.090 ( -1.406 -2.014 0.368) 2.484 17.141 ( -6.869 0.695 2.697) 7.412 19.832 ( 8.563 2.279 1.351) 8.963 20.054 ( 10.402 2.133 -0.077) 10.618 21.359 ( -7.919 2.729 2.466) 8.731 21.412 ( -7.615 0.202 -2.509) 8.021 22.775 ( -8.162 -2.859 4.729) 9.857 23.017 ( -2.991 -4.487 -7.256) 9.040 27.789 ( 0.013 -0.554 2.452) 2.514 28.271 ( -7.067 4.458 4.284) 9.390 29.614 ( 9.085 1.167 -5.425) 10.645 29.708 ( -1.136 6.925 1.387) 7.153 29.871 ( 0.435 0.345 0.912) 1.068 29.976 ( 0.059 -2.848 2.204) 3.602 30.936 ( 6.361 0.289 -0.800) 6.417 31.123 ( 1.512 -1.133 -1.433) 2.371 31.156 ( -0.351 -4.415 -0.771) 4.496 31.317 ( -2.315 -7.355 1.934) 7.950 31.787 ( -4.285 -2.058 2.133) 5.210 31.926 ( -1.168 5.839 -1.537) 6.150 32.013 ( -2.289 1.153 -0.141) 2.567 32.154 ( 2.139 -2.061 -1.187) 3.199 32.427 ( 4.927 -0.534 -2.518) 5.558 32.465 ( 6.749 -0.985 0.898) 6.879 32.739 ( 7.603 -0.220 5.461) 9.363 33.134 ( 4.677 0.544 -13.037) 13.861 34.344 ( -0.680 -3.030 0.446) 3.137 34.376 ( -0.429 -3.651 -1.052) 3.824 34.914 ( -11.669 2.536 12.150) 17.036 35.397 ( -11.632 -2.912 -3.661) 12.538 36.057 ( 9.079 1.516 -1.846) 9.388 36.076 ( 11.625 2.250 4.926) 12.824 37.001 ( -6.336 21.367 -0.075) 22.287 37.430 ( -10.620 -1.627 -3.033) 11.164 ======================= Grid point 105 (45/95) ======================= q-point: ( 0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( 2.587 -12.947 11.024) 17.200 1.777 ( -0.126 -17.064 9.012) 19.298 2.133 ( 7.217 0.341 6.704) 9.856 2.154 ( 3.339 -8.602 -6.972) 11.565 2.421 ( 4.323 12.493 0.614) 13.234 2.611 ( 7.912 2.859 -0.538) 8.430 2.871 ( 7.689 7.311 5.240) 11.833 2.965 ( -3.715 -2.088 1.466) 4.507 3.215 ( -2.480 4.418 -2.152) 5.505 3.300 ( 5.109 0.590 1.507) 5.360 3.384 ( -2.654 -2.556 -3.320) 4.959 3.474 ( 0.530 1.961 -4.648) 5.072 3.709 ( -7.455 1.257 7.093) 10.367 3.789 ( -2.314 -3.895 -0.924) 4.624 3.822 ( 5.981 -2.309 -2.792) 6.993 3.857 ( 2.627 -9.537 -7.789) 12.591 4.083 ( -0.782 -3.247 3.261) 4.668 4.223 ( 1.894 -3.649 0.665) 4.165 4.351 ( -2.060 -0.804 -8.044) 8.343 4.440 ( 4.571 -4.446 -3.053) 7.070 4.468 ( 5.063 -4.622 4.322) 8.104 4.680 ( -1.150 -2.166 -1.866) 3.081 4.719 ( 2.436 4.042 4.131) 6.272 4.884 ( 3.353 3.077 -2.546) 5.215 4.925 ( 6.376 -2.967 -0.977) 7.100 4.962 ( 1.999 0.558 -5.486) 5.866 5.078 ( 0.101 3.435 5.880) 6.811 5.415 ( -0.729 1.598 5.227) 5.515 5.496 ( -1.079 6.351 -5.085) 8.208 5.600 ( 2.108 2.023 -3.087) 4.250 5.791 ( -5.578 -2.961 0.606) 6.344 5.902 ( -2.030 -3.747 -3.905) 5.780 5.923 ( -3.066 -3.556 1.170) 4.839 6.270 ( -11.871 -7.048 -0.806) 13.829 7.069 ( -2.794 -6.398 3.053) 7.620 7.412 ( -0.674 3.575 2.627) 4.487 7.543 ( -0.881 0.090 -1.187) 1.481 7.735 ( -1.357 3.847 -2.423) 4.745 7.983 ( -4.122 1.227 7.699) 8.819 8.097 ( -0.732 2.944 -2.907) 4.202 8.186 ( -3.687 -4.297 7.433) 9.344 8.318 ( -5.798 -3.248 2.229) 7.010 8.782 ( 1.830 2.666 -4.133) 5.248 8.901 ( 3.810 1.780 -0.956) 4.313 9.002 ( 0.370 3.145 -0.810) 3.268 9.190 ( 3.864 4.212 -3.918) 6.929 9.201 ( -7.380 3.916 1.546) 8.496 9.424 ( -3.586 2.223 -2.123) 4.723 9.682 ( -6.313 -0.607 -1.201) 6.455 10.025 ( -1.859 -1.503 3.880) 4.557 10.077 ( -3.395 1.237 0.943) 3.734 10.552 ( 2.170 1.029 -2.678) 3.598 10.834 ( -1.568 -0.466 1.801) 2.433 10.936 ( 4.364 -1.416 1.980) 4.997 11.418 ( 8.654 1.333 -4.076) 9.659 11.577 ( 4.707 0.275 2.755) 5.461 11.863 ( -3.870 1.034 -0.884) 4.102 11.978 ( -3.325 -0.488 0.342) 3.378 12.736 ( 5.484 4.756 -3.559) 8.084 12.805 ( -4.668 3.157 1.350) 5.795 13.042 ( -7.093 -0.957 -0.448) 7.171 13.124 ( -3.487 -3.497 -3.712) 6.178 13.584 ( 3.906 -0.434 -2.502) 4.659 13.666 ( -1.328 -2.318 1.730) 3.183 13.884 ( -0.037 2.735 8.488) 8.918 14.162 ( -1.683 4.287 2.961) 5.476 14.731 ( 3.239 1.513 -2.679) 4.467 14.778 ( 9.221 3.181 0.578) 9.771 14.811 ( 8.463 2.547 -2.143) 9.094 15.125 ( 4.399 -1.604 -1.752) 4.999 15.658 ( 4.873 2.273 4.995) 7.339 15.708 ( 8.589 3.319 -1.205) 9.286 15.789 ( 0.094 7.964 -2.391) 8.316 15.893 ( 5.278 2.383 2.754) 6.412 16.447 ( -1.204 -4.074 2.289) 4.826 16.648 ( 1.791 -3.228 -8.397) 9.172 16.779 ( -1.157 1.448 4.561) 4.923 16.884 ( -0.699 -4.098 0.584) 4.198 16.993 ( -0.202 0.302 -0.050) 0.367 17.064 ( -6.518 0.566 1.495) 6.711 17.108 ( 4.051 -1.365 -3.615) 5.599 17.123 ( -0.905 -2.421 1.046) 2.788 19.862 ( 7.001 3.818 2.543) 8.370 20.083 ( 8.003 4.290 -2.359) 9.382 21.243 ( -7.740 2.416 2.988) 8.641 21.335 ( -6.236 -0.315 -3.003) 6.929 22.788 ( -6.387 -4.884 5.756) 9.888 23.069 ( -0.963 -6.094 -6.892) 9.250 27.810 ( 0.038 -1.093 2.312) 2.558 28.133 ( -4.784 5.601 0.574) 7.388 29.599 ( -0.403 3.986 -1.527) 4.288 29.657 ( 4.144 0.705 -1.779) 4.565 29.874 ( 4.055 2.600 1.664) 5.096 30.014 ( -0.540 -0.946 1.509) 1.861 30.983 ( 4.850 0.428 0.058) 4.870 31.126 ( 1.866 0.955 -0.364) 2.128 31.272 ( 0.003 -7.951 -1.896) 8.174 31.421 ( -5.232 -8.606 2.890) 10.478 31.814 ( -2.490 -0.520 -0.880) 2.692 31.817 ( 0.313 1.932 1.840) 2.686 31.962 ( -2.312 2.316 -0.153) 3.276 32.198 ( 2.310 -1.707 -1.463) 3.223 32.478 ( 4.509 -0.701 -2.605) 5.255 32.534 ( 5.508 0.427 0.813) 5.584 32.789 ( 2.780 2.016 4.343) 5.536 33.115 ( 1.272 1.005 -8.773) 8.922 34.405 ( -0.244 -3.929 2.163) 4.492 34.468 ( 0.461 -8.119 -2.477) 8.501 34.807 ( -8.673 2.575 11.047) 14.279 35.322 ( -11.521 -2.474 -5.266) 12.906 36.058 ( 4.004 6.706 3.346) 8.497 36.154 ( 13.089 3.173 -0.255) 13.471 36.642 ( 3.231 18.376 -1.831) 18.748 37.294 ( -10.968 3.829 -2.049) 11.797 ======================= Grid point 106 (46/95) ======================= q-point: ( 0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.622 -6.536 6.305) 9.103 2.028 ( -0.137 -10.066 3.596) 10.690 2.151 ( -1.514 0.715 6.074) 6.301 2.303 ( 3.221 7.363 -0.165) 8.038 2.335 ( 8.950 -7.735 -0.716) 11.851 2.620 ( 3.558 1.715 -1.232) 4.138 2.767 ( 2.936 15.381 7.796) 17.492 2.959 ( -4.058 -3.754 0.399) 5.543 3.216 ( 1.888 -4.062 -0.100) 4.480 3.318 ( 3.233 1.670 7.016) 7.903 3.356 ( -3.998 -0.838 -9.007) 9.890 3.447 ( 1.156 3.720 -0.170) 3.899 3.629 ( -7.136 -0.743 6.050) 9.385 3.846 ( -1.998 -4.962 -3.858) 6.595 3.856 ( 7.283 3.472 -8.356) 11.616 3.957 ( 2.482 -2.975 -8.324) 9.181 4.141 ( -6.735 -1.814 2.097) 7.284 4.250 ( -1.160 0.597 3.476) 3.713 4.342 ( -4.463 -4.545 -3.943) 7.491 4.498 ( -6.396 -2.607 5.713) 8.964 4.588 ( 3.822 -1.933 -0.463) 4.308 4.680 ( 0.689 -1.317 -1.894) 2.407 4.739 ( 2.697 2.813 3.431) 5.192 4.787 ( 1.663 0.406 -4.853) 5.146 4.974 ( 1.512 3.856 -2.311) 4.743 5.013 ( 1.207 -0.548 -0.646) 1.475 5.129 ( 9.449 -5.494 4.613) 11.864 5.390 ( 2.670 3.542 3.967) 5.950 5.406 ( 2.374 1.930 -6.630) 7.302 5.639 ( 6.532 -0.706 0.610) 6.598 5.804 ( -3.052 -4.036 -1.745) 5.353 5.893 ( -2.999 0.672 -3.156) 4.405 5.972 ( -1.394 -4.631 0.450) 4.857 6.259 ( -11.878 -5.874 -1.532) 13.339 7.186 ( 0.878 -6.100 1.979) 6.472 7.368 ( -1.499 -0.153 0.894) 1.752 7.584 ( 3.253 -4.047 -2.065) 5.588 7.665 ( -1.589 2.125 -0.692) 2.742 7.940 ( -0.921 3.635 4.544) 5.892 7.969 ( -0.780 7.522 -1.119) 7.645 8.291 ( -4.164 -7.216 5.782) 10.141 8.347 ( -5.760 -7.173 2.252) 9.471 8.711 ( 2.258 7.917 0.077) 8.233 8.873 ( 2.753 3.244 -2.710) 5.044 8.992 ( -0.144 1.228 -0.244) 1.261 9.067 ( -3.669 5.342 0.275) 6.487 9.105 ( -2.757 2.832 -0.377) 3.970 9.388 ( 0.919 0.162 -3.905) 4.015 9.684 ( -2.476 -4.835 0.513) 5.456 10.028 ( -3.238 0.392 -1.304) 3.513 10.074 ( 2.609 -2.353 4.678) 5.850 10.529 ( -0.258 1.482 -3.117) 3.461 10.834 ( -2.414 -0.853 3.721) 4.516 10.995 ( 4.810 0.365 -0.061) 4.825 11.431 ( 6.647 4.674 -3.260) 8.756 11.561 ( -1.678 4.048 1.717) 4.707 11.838 ( -1.328 -1.142 -0.308) 1.778 11.968 ( -2.767 -1.482 0.206) 3.146 12.720 ( 6.945 3.111 -3.210) 8.260 12.750 ( -1.426 0.341 1.705) 2.249 13.000 ( -5.686 -1.622 -0.850) 5.973 13.122 ( -4.532 -2.517 -4.371) 6.781 13.624 ( 3.768 -0.523 -2.198) 4.393 13.687 ( -2.317 -1.735 1.120) 3.104 13.858 ( 0.954 3.557 10.017) 10.673 14.100 ( -3.234 1.841 4.550) 5.878 14.736 ( 5.057 1.639 -2.700) 5.962 14.794 ( 5.698 2.624 0.782) 6.322 14.853 ( 12.041 3.811 -2.359) 12.849 15.162 ( 1.625 0.143 -3.252) 3.638 15.600 ( -2.788 6.843 2.236) 7.720 15.637 ( -3.749 7.250 0.174) 8.164 15.707 ( 5.940 4.660 -1.799) 7.761 15.870 ( 0.135 5.211 1.839) 5.528 16.524 ( 1.198 -3.342 2.297) 4.229 16.690 ( 0.812 -1.788 -2.481) 3.164 16.752 ( -1.100 0.218 1.635) 1.983 16.956 ( 0.384 -3.995 -0.077) 4.015 16.965 ( -2.377 1.825 0.777) 3.096 17.016 ( -3.665 -1.312 -2.761) 4.772 17.155 ( -0.899 -2.164 0.731) 2.454 17.157 ( 3.284 -0.774 -1.574) 3.723 19.846 ( 3.244 4.983 3.068) 6.691 20.052 ( 4.511 5.512 -3.643) 8.000 21.176 ( -4.820 -1.064 3.016) 5.784 21.301 ( -2.868 -2.004 -3.208) 4.747 22.841 ( -4.752 -5.540 6.339) 9.667 23.148 ( 1.015 -5.392 -6.537) 8.534 27.838 ( 0.093 -1.437 1.928) 2.407 28.013 ( -2.409 4.427 -0.689) 5.087 29.543 ( 0.254 2.306 0.118) 2.323 29.680 ( 1.342 -0.649 -1.893) 2.410 29.869 ( 4.707 3.530 1.275) 6.020 29.994 ( -2.642 1.961 0.353) 3.309 31.009 ( 2.735 0.937 0.582) 2.949 31.118 ( 0.698 1.477 0.152) 1.641 31.403 ( 1.785 -7.063 -0.128) 7.286 31.518 ( -5.546 -8.436 0.644) 10.116 31.744 ( 1.987 3.727 0.985) 4.337 31.892 ( 0.237 0.626 3.899) 3.956 31.899 ( -2.492 -3.586 -2.171) 4.877 32.258 ( 3.496 -2.892 -2.904) 5.387 32.508 ( 3.134 0.744 -2.516) 4.088 32.551 ( 2.406 2.231 0.256) 3.291 32.759 ( 0.111 3.815 3.186) 4.972 33.074 ( -0.682 2.016 -6.090) 6.451 34.478 ( -0.649 -4.086 4.246) 5.929 34.617 ( 0.965 -7.224 -1.196) 7.386 34.747 ( -5.703 -2.289 8.963) 10.867 35.224 ( -9.837 0.170 -6.805) 11.962 35.945 ( 1.888 10.010 4.118) 10.987 36.194 ( 10.553 5.888 -6.503) 13.723 36.468 ( 9.524 9.243 2.744) 13.553 37.109 ( -12.359 3.915 -1.592) 13.061 ======================= Grid point 107 (47/95) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -3.790 10.960 4.344) 12.384 2.052 ( -2.542 8.261 -6.580) 10.863 2.146 ( -4.698 1.774 11.854) 12.874 2.302 ( 5.509 -3.802 2.062) 7.003 2.461 ( 2.697 5.201 3.031) 6.596 2.539 ( 2.858 8.807 3.182) 9.791 2.737 ( 5.088 -11.500 5.944) 13.909 3.058 ( -1.064 -7.599 -0.870) 7.722 3.190 ( -3.457 4.386 1.594) 5.807 3.244 ( -1.813 9.214 4.358) 10.352 3.357 ( 1.744 6.098 2.203) 6.714 3.446 ( 1.678 -6.564 -4.542) 8.156 3.656 ( -3.578 -5.438 3.710) 7.492 3.815 ( 2.788 7.671 -2.225) 8.460 3.868 ( 2.758 -1.043 -11.340) 11.717 3.968 ( -7.392 3.474 1.105) 8.242 4.010 ( -0.137 -3.099 -8.232) 8.797 4.272 ( -1.334 -1.716 -6.665) 7.010 4.382 ( -2.086 -3.422 3.885) 5.581 4.499 ( -4.592 0.903 4.523) 6.508 4.551 ( -0.031 3.424 -0.784) 3.513 4.663 ( -5.038 0.530 0.092) 5.067 4.737 ( 3.518 0.239 0.027) 3.526 4.843 ( 3.124 0.483 -0.148) 3.165 4.909 ( 0.372 2.173 -1.618) 2.735 5.031 ( 2.256 -0.779 -2.087) 3.170 5.280 ( -2.445 -4.765 3.253) 6.265 5.331 ( 6.106 7.034 -0.163) 9.316 5.495 ( 8.185 -0.629 -1.452) 8.337 5.696 ( -0.018 -5.385 0.176) 5.388 5.831 ( 1.636 0.499 -1.454) 2.245 5.907 ( 3.587 -4.804 -1.816) 6.264 6.056 ( 1.913 -5.835 -0.780) 6.189 6.243 ( -12.027 -6.859 -2.601) 14.087 7.250 ( 1.089 -0.913 0.904) 1.684 7.407 ( 0.240 -3.402 -3.272) 4.726 7.617 ( -1.833 2.073 3.407) 4.389 7.711 ( 4.540 -5.129 -1.463) 7.004 7.823 ( 1.782 6.080 -0.125) 6.337 7.936 ( -3.316 -2.896 1.393) 4.618 8.369 ( -2.473 -6.002 4.642) 7.981 8.458 ( -3.414 -7.676 0.243) 8.404 8.594 ( 0.541 6.208 6.742) 9.180 8.843 ( 0.637 4.340 -0.558) 4.422 8.863 ( -2.497 5.916 -2.913) 7.051 8.954 ( -2.192 4.835 -0.936) 5.390 9.155 ( 1.450 -5.255 2.065) 5.829 9.397 ( 0.464 -2.148 -3.884) 4.462 9.788 ( 1.051 -7.449 1.979) 7.779 10.003 ( -1.964 -0.929 -1.372) 2.570 10.172 ( 3.965 -3.574 4.062) 6.708 10.488 ( -1.538 1.110 -3.676) 4.137 10.835 ( -2.159 -0.526 3.875) 4.467 11.009 ( 4.142 2.454 -2.402) 5.381 11.373 ( 4.437 7.376 -1.775) 8.789 11.440 ( -6.052 6.090 1.707) 8.754 11.874 ( 1.202 -3.208 0.182) 3.431 11.974 ( -2.157 -2.247 -0.432) 3.144 12.738 ( -1.503 -1.071 2.087) 2.786 12.763 ( 7.843 0.916 -4.527) 9.102 12.976 ( -5.179 -1.566 0.366) 5.423 13.123 ( -2.931 -4.026 -3.871) 6.308 13.642 ( 0.937 0.797 -0.295) 1.265 13.697 ( -1.418 -1.388 -0.432) 2.031 13.855 ( 3.472 2.722 9.757) 10.708 14.062 ( -4.838 -0.195 5.334) 7.204 14.749 ( 9.097 4.572 -1.414) 10.279 14.821 ( 4.412 -0.035 0.759) 4.477 14.884 ( 8.925 4.001 -2.547) 10.107 15.121 ( -3.794 2.629 -3.633) 5.874 15.403 ( -7.259 10.542 0.386) 12.805 15.478 ( -4.673 7.341 -0.258) 8.706 15.658 ( 3.611 5.807 -0.839) 6.889 15.746 ( -3.316 7.587 0.989) 8.339 16.562 ( 1.874 1.805 3.147) 4.083 16.698 ( -3.753 -2.276 3.321) 5.504 16.796 ( 3.783 -2.669 -2.760) 5.390 16.914 ( -2.056 1.292 -0.569) 2.494 16.977 ( -0.751 0.663 -1.842) 2.097 17.034 ( -0.607 -3.154 -3.666) 4.874 17.180 ( -0.342 -1.342 0.685) 1.545 17.190 ( 1.187 -1.042 0.478) 1.650 19.784 ( 0.106 4.869 2.861) 5.648 19.973 ( 1.756 5.753 -4.119) 7.290 21.206 ( -1.851 -4.713 2.793) 5.783 21.330 ( 0.432 -3.820 -3.045) 4.904 22.913 ( -3.095 -5.247 6.148) 8.655 23.221 ( 2.065 -3.680 -6.225) 7.520 27.864 ( -0.166 -0.692 1.605) 1.755 27.944 ( -0.774 1.488 -0.582) 1.775 29.521 ( 1.125 1.919 2.111) 3.067 29.688 ( -0.157 -0.190 -1.691) 1.709 29.850 ( 3.301 3.867 0.363) 5.097 29.919 ( -3.825 2.169 -0.872) 4.483 31.009 ( 0.979 1.401 1.281) 2.136 31.091 ( -0.171 2.040 0.001) 2.048 31.513 ( 0.139 -3.838 2.151) 4.402 31.602 ( -0.950 -5.452 -0.641) 5.571 31.733 ( 3.015 1.165 0.562) 3.281 31.840 ( -3.491 -0.076 0.344) 3.508 32.011 ( 2.155 -5.885 2.050) 6.594 32.321 ( 1.619 -1.656 -3.583) 4.266 32.496 ( 1.204 2.689 -1.997) 3.559 32.517 ( 0.647 2.508 -1.801) 3.155 32.714 ( 1.971 2.565 1.944) 3.774 32.988 ( -2.535 4.764 -5.634) 7.801 34.532 ( -0.724 0.220 7.714) 7.751 34.662 ( -3.494 -3.288 8.825) 10.045 34.894 ( 0.874 -12.817 -0.982) 12.884 35.094 ( -5.627 3.913 -8.123) 10.628 35.829 ( 1.985 6.907 3.561) 8.020 36.099 ( 2.632 9.078 -6.378) 11.403 36.532 ( 15.149 -0.522 3.127) 15.477 36.937 ( -14.011 0.988 -1.707) 14.149 ======================= Grid point 108 (48/95) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -1.797 17.327 7.058) 18.796 1.859 ( 0.202 9.881 -6.841) 12.020 1.961 ( -7.548 16.885 20.494) 27.606 2.304 ( -1.243 6.641 -1.894) 7.016 2.366 ( -0.394 3.491 -1.719) 3.911 2.643 ( 7.755 -6.374 -0.132) 10.039 2.911 ( -6.298 3.880 5.188) 9.035 3.021 ( -3.332 10.360 5.745) 12.306 3.066 ( 2.764 -4.099 0.094) 4.945 3.204 ( -0.005 3.470 5.685) 6.660 3.294 ( 4.986 1.931 5.374) 7.581 3.541 ( 1.457 -4.541 -5.757) 7.476 3.603 ( -2.364 5.628 -1.790) 6.361 3.774 ( 0.312 -2.446 2.043) 3.202 3.882 ( 8.305 3.318 -12.815) 15.627 3.946 ( 1.137 -2.508 -3.481) 4.438 4.024 ( -3.949 -2.103 -1.145) 4.618 4.275 ( -2.024 -4.369 -9.049) 10.251 4.329 ( -4.033 7.627 2.669) 9.031 4.454 ( 1.710 0.963 -2.247) 2.983 4.542 ( -2.088 -0.206 2.831) 3.524 4.598 ( -2.874 3.125 3.697) 5.630 4.745 ( 2.123 0.109 3.773) 4.331 4.817 ( 2.467 4.420 -4.118) 6.525 4.938 ( -0.124 -5.277 -3.590) 6.383 5.043 ( -1.628 1.303 2.876) 3.553 5.214 ( 0.976 7.951 -0.698) 8.041 5.321 ( -1.930 0.042 -4.883) 5.251 5.493 ( 3.582 2.233 3.048) 5.207 5.843 ( 0.517 -6.792 -8.796) 11.125 5.870 ( 3.860 -3.230 4.931) 7.046 6.014 ( 2.068 -4.222 -0.684) 4.751 6.164 ( -7.506 -7.273 -0.473) 10.462 6.303 ( 3.643 -9.010 -3.933) 10.484 7.276 ( 1.614 -0.274 0.548) 1.726 7.419 ( -0.377 -0.216 -3.916) 3.940 7.571 ( -1.545 2.703 2.088) 3.749 7.700 ( 1.274 3.405 -2.424) 4.369 7.908 ( 3.442 -5.126 4.074) 7.397 7.996 ( -4.847 -9.440 -1.653) 10.740 8.434 ( -1.263 4.446 8.306) 9.505 8.495 ( 1.422 -7.358 6.942) 10.216 8.657 ( -5.745 -8.766 1.698) 10.618 8.721 ( 2.504 3.857 -1.116) 4.732 8.808 ( 0.626 4.465 -1.574) 4.775 8.868 ( 0.193 2.993 -1.319) 3.276 9.259 ( -0.010 -5.299 3.193) 6.187 9.454 ( -0.489 -5.774 -4.132) 7.117 9.935 ( 0.297 -7.600 2.262) 7.935 10.016 ( 0.709 -2.100 -1.415) 2.629 10.257 ( -0.531 -1.788 4.284) 4.673 10.451 ( 0.032 0.478 -4.052) 4.080 10.833 ( -1.508 -0.003 2.372) 2.811 10.992 ( 3.792 2.418 -4.010) 6.026 11.273 ( -5.567 6.847 1.045) 8.886 11.282 ( 3.880 7.681 0.689) 8.633 11.956 ( 1.503 -4.329 0.865) 4.663 12.006 ( -1.596 -3.983 -1.091) 4.428 12.732 ( -5.181 -2.123 -0.004) 5.599 12.823 ( 7.773 -0.298 -4.792) 9.136 12.984 ( -1.507 -3.592 4.152) 5.693 13.174 ( -0.789 -4.836 -3.129) 5.814 13.633 ( 0.583 0.973 1.586) 1.949 13.683 ( -3.081 0.484 -0.791) 3.217 13.870 ( 1.247 2.555 9.569) 9.982 14.053 ( -2.998 -1.773 2.567) 4.326 14.710 ( 0.559 7.988 1.436) 8.136 14.844 ( 0.447 6.612 -4.013) 7.747 14.873 ( 1.701 -1.716 1.246) 2.719 15.002 ( -2.851 4.313 -0.559) 5.200 15.180 ( 4.520 11.535 0.812) 12.415 15.326 ( -2.139 5.301 -5.352) 7.831 15.579 ( -3.752 8.266 0.375) 9.085 15.598 ( 3.836 5.202 0.127) 6.464 16.544 ( 0.283 2.066 5.013) 5.429 16.715 ( -1.669 -1.466 1.642) 2.762 16.847 ( 2.191 0.749 -1.047) 2.541 16.896 ( -0.834 -1.675 -2.809) 3.375 16.948 ( 0.592 1.184 -1.724) 2.174 17.046 ( 0.012 -0.194 -3.873) 3.878 17.191 ( -1.615 -0.755 1.343) 2.232 17.228 ( 1.058 -1.856 0.974) 2.348 19.716 ( -0.757 3.607 2.141) 4.263 19.885 ( 1.376 4.681 -4.240) 6.464 21.290 ( -1.557 -5.893 2.192) 6.478 21.406 ( 1.837 -4.590 -2.381) 5.488 22.987 ( -2.065 -4.379 5.158) 7.074 23.269 ( 1.959 -1.780 -5.811) 6.386 27.854 ( -1.607 1.259 2.951) 3.588 27.959 ( 1.129 -2.887 -1.289) 3.357 29.500 ( 1.333 3.293 4.521) 5.750 29.668 ( -0.585 1.956 -1.587) 2.586 29.803 ( -1.481 1.717 0.143) 2.272 29.882 ( 0.631 -0.150 -2.496) 2.579 30.988 ( -0.419 2.365 1.820) 3.013 31.054 ( 0.115 1.838 -0.491) 1.905 31.558 ( -0.700 -1.708 3.638) 4.079 31.635 ( 0.940 2.846 3.915) 4.930 31.762 ( 1.146 -2.942 -4.075) 5.155 31.844 ( -2.481 -3.082 -1.849) 4.367 32.131 ( 1.679 -4.927 2.848) 5.933 32.304 ( -3.009 1.103 -1.727) 3.640 32.437 ( 1.098 4.463 -1.166) 4.742 32.475 ( 1.035 3.107 -2.170) 3.928 32.722 ( -3.057 -0.783 -5.757) 6.566 32.858 ( 5.843 7.311 -4.889) 10.559 34.500 ( -0.766 4.373 8.508) 9.597 34.767 ( -5.160 -9.232 13.232) 16.939 34.943 ( -1.798 6.941 -7.821) 10.611 35.117 ( 4.854 -10.846 -1.720) 12.007 35.769 ( -1.107 2.738 3.634) 4.683 35.970 ( 2.679 6.187 -3.341) 7.524 36.744 ( -1.347 -10.844 0.719) 10.951 36.822 ( 0.851 -0.649 -2.136) 2.389 ======================= Grid point 109 (49/95) ======================= q-point: (-0.11 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 10.922 13.396 11.397) 20.703 1.648 ( -1.433 20.159 19.030) 27.759 1.723 ( 3.508 7.366 -2.398) 8.504 2.021 ( -6.710 17.902 -0.907) 19.140 2.320 ( 1.326 8.819 -1.910) 9.120 2.660 ( -0.191 4.428 -6.612) 7.960 2.796 ( -0.223 4.244 5.612) 7.039 2.889 ( -1.839 3.326 7.025) 7.987 3.155 ( 0.881 -2.884 5.551) 6.317 3.188 ( -1.517 -1.811 1.794) 2.966 3.365 ( 3.483 -1.011 4.783) 6.002 3.513 ( 3.811 3.078 -4.154) 6.423 3.620 ( 6.658 0.763 -5.832) 8.884 3.777 ( -1.030 1.764 -3.195) 3.792 3.849 ( 5.013 4.680 -4.792) 8.366 3.985 ( 2.944 -0.185 -3.872) 4.867 4.042 ( 1.295 -2.396 -0.238) 2.734 4.174 ( -3.214 6.548 -0.482) 7.310 4.303 ( -3.598 -3.368 -4.119) 6.423 4.394 ( -1.479 3.909 -2.916) 5.096 4.515 ( 2.600 3.383 4.354) 6.096 4.562 ( -3.809 0.760 2.886) 4.839 4.754 ( 3.833 4.290 -3.330) 6.647 4.813 ( 3.581 -2.409 -0.416) 4.336 4.937 ( -6.786 7.526 2.245) 10.379 4.972 ( -2.271 -0.286 -0.818) 2.431 5.179 ( 1.916 -5.310 0.114) 5.646 5.270 ( -0.042 2.861 -5.955) 6.607 5.527 ( 4.055 0.257 3.245) 5.200 5.875 ( -0.529 -1.253 -10.703) 10.789 5.954 ( -2.449 -3.526 0.416) 4.313 6.076 ( -1.645 -3.157 0.564) 3.604 6.199 ( -9.885 -8.128 -2.573) 13.054 6.489 ( 6.339 -5.744 -2.555) 8.927 7.281 ( 0.401 0.903 0.491) 1.104 7.417 ( -1.744 -1.871 -3.194) 4.092 7.520 ( 0.422 2.427 2.000) 3.173 7.675 ( 1.406 0.439 -2.926) 3.276 7.983 ( -4.191 -3.811 3.654) 6.741 8.123 ( -1.055 -7.723 -0.878) 7.844 8.409 ( -6.615 -1.145 15.699) 17.075 8.647 ( -1.142 -3.847 4.743) 6.213 8.665 ( -0.939 -0.278 3.302) 3.444 8.712 ( 1.517 -1.724 -1.031) 2.517 8.851 ( 4.626 -3.906 -1.141) 6.161 8.866 ( 4.175 -2.675 -2.278) 5.456 9.353 ( -1.631 -5.823 3.200) 6.842 9.531 ( -1.961 -5.939 -4.679) 7.811 10.009 ( -5.698 -4.746 -0.483) 7.431 10.098 ( 4.917 -3.014 0.320) 5.776 10.227 ( -6.710 1.172 2.915) 7.409 10.457 ( 2.653 0.159 -2.697) 3.787 10.810 ( -1.440 1.193 0.063) 1.871 10.990 ( 0.645 0.186 -1.428) 1.578 11.126 ( 0.008 5.961 -2.032) 6.297 11.225 ( 8.153 6.822 2.960) 11.035 12.033 ( -2.078 -4.712 1.053) 5.256 12.064 ( -2.338 -5.106 -0.912) 5.690 12.726 ( -4.835 -3.384 -1.280) 6.039 12.897 ( 4.641 -2.762 -2.714) 6.044 13.083 ( 3.395 -4.575 5.222) 7.728 13.238 ( -1.175 -4.806 -1.580) 5.194 13.617 ( -1.698 2.803 -0.793) 3.371 13.631 ( -2.678 0.522 2.383) 3.622 13.834 ( -3.121 3.309 7.634) 8.887 14.058 ( -2.236 -0.780 0.485) 2.418 14.510 ( -9.182 7.923 0.709) 12.148 14.657 ( -5.898 7.571 -0.599) 9.615 14.902 ( -0.311 -0.112 1.867) 1.896 14.995 ( 13.478 4.941 1.068) 14.395 15.148 ( 17.049 6.388 -0.072) 18.207 15.252 ( 3.495 1.439 -6.973) 7.932 15.414 ( -2.276 7.121 -0.231) 7.479 15.574 ( 6.148 3.534 0.486) 7.108 16.540 ( -0.855 -0.019 4.721) 4.798 16.721 ( -0.642 -0.239 1.051) 1.255 16.824 ( 1.908 3.043 -0.632) 3.647 16.869 ( -2.718 1.063 -6.388) 7.023 16.977 ( 2.707 -1.434 1.726) 3.516 17.032 ( 0.410 0.796 -2.723) 2.866 17.185 ( -2.538 -0.185 2.871) 3.837 17.263 ( -0.246 -1.414 0.333) 1.474 19.668 ( -0.024 2.191 1.424) 2.613 19.829 ( 2.804 2.898 -4.213) 5.832 21.371 ( -2.545 -5.312 1.565) 6.094 21.489 ( 1.053 -4.103 -1.822) 4.611 23.037 ( -3.230 -2.678 3.691) 5.588 23.279 ( 0.536 0.301 -5.382) 5.417 27.824 ( -2.843 1.017 4.523) 5.438 28.041 ( 2.731 -5.320 -1.099) 6.080 29.478 ( 2.635 2.765 6.565) 7.595 29.602 ( -1.056 3.910 -1.547) 4.335 29.789 ( -1.901 -1.801 -0.523) 2.671 29.909 ( 2.777 -1.653 -2.666) 4.189 30.930 ( -1.228 3.767 1.643) 4.289 31.040 ( 1.511 0.641 -1.083) 1.966 31.556 ( -2.175 4.114 4.810) 6.693 31.609 ( 0.937 0.438 5.745) 5.837 31.787 ( -3.143 -0.584 -6.179) 6.958 31.851 ( -0.920 -2.059 -5.478) 5.924 32.199 ( -2.259 -2.019 3.280) 4.465 32.260 ( -2.795 -0.140 -1.105) 3.009 32.374 ( 1.738 3.972 -2.035) 4.789 32.426 ( 2.633 4.887 -2.188) 5.967 32.574 ( -6.939 5.238 -2.646) 9.088 32.896 ( 16.131 2.223 -11.876) 20.154 34.443 ( -0.685 4.241 7.132) 8.326 34.747 ( -2.428 8.364 -6.995) 11.171 34.950 ( -7.700 -10.570 16.154) 20.784 35.341 ( 10.297 -7.972 1.346) 13.092 35.727 ( -4.281 -0.054 2.708) 5.066 35.947 ( 7.141 2.564 0.312) 7.594 36.718 ( -22.508 -12.089 -1.166) 25.575 37.114 ( 16.798 -12.990 -1.119) 21.264 ======================= Grid point 113 (50/95) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 3.846 -0.000 15.501) 15.971 1.452 ( -0.442 0.000 12.912) 12.919 1.970 ( 6.881 -0.000 -2.299) 7.254 2.160 ( 6.976 -0.000 6.307) 9.405 2.641 ( -0.655 0.000 0.649) 0.922 2.828 ( 7.657 -0.000 5.244) 9.281 2.856 ( -1.276 0.000 2.066) 2.428 3.038 ( -1.904 0.000 5.468) 5.790 3.103 ( 1.522 -0.000 -21.172) 21.226 3.391 ( 7.484 -0.000 -0.542) 7.503 3.446 ( 7.373 -0.000 -1.640) 7.554 3.485 ( 5.943 -0.000 -2.362) 6.395 3.615 ( -3.524 0.000 6.918) 7.764 3.660 ( -2.223 0.000 3.470) 4.121 3.684 ( 0.503 -0.000 -7.893) 7.909 3.794 ( -4.576 0.000 4.532) 6.441 4.011 ( 1.111 -0.000 -2.545) 2.777 4.179 ( -0.850 0.000 0.346) 0.918 4.291 ( 3.237 -0.000 -4.906) 5.878 4.442 ( 10.333 -0.000 5.934) 11.916 4.444 ( -0.009 0.000 -14.331) 14.331 4.632 ( 2.022 -0.000 2.562) 3.263 4.715 ( 11.578 -0.000 -5.073) 12.641 4.859 ( 2.733 -0.000 -2.543) 3.734 4.907 ( 1.110 -0.000 7.028) 7.115 5.090 ( 1.438 -0.000 -3.068) 3.389 5.188 ( 0.067 -0.000 -0.089) 0.112 5.391 ( 4.747 -0.000 4.168) 6.318 5.610 ( -7.216 0.000 2.206) 7.546 5.627 ( 1.529 -0.000 0.586) 1.637 5.771 ( -3.578 0.000 -0.927) 3.696 5.810 ( 1.532 -0.000 -6.233) 6.419 5.918 ( -10.590 0.000 0.993) 10.637 6.009 ( -13.728 0.000 -1.625) 13.824 6.958 ( -6.167 0.000 5.384) 8.187 7.488 ( -3.228 0.000 2.533) 4.103 7.615 ( -0.449 0.000 2.002) 2.052 7.844 ( -1.472 0.000 -1.969) 2.459 7.917 ( -8.166 0.000 5.009) 9.580 7.951 ( -8.117 0.000 7.012) 10.727 8.274 ( -3.139 0.000 3.205) 4.487 8.288 ( 3.284 -0.000 -4.882) 5.884 8.791 ( 0.415 -0.000 -2.475) 2.510 8.949 ( 7.223 -0.000 -0.912) 7.281 9.081 ( 0.677 -0.000 -3.653) 3.716 9.216 ( 3.575 -0.000 -7.055) 7.909 9.313 ( -6.002 0.000 4.912) 7.756 9.470 ( -6.376 0.000 -2.139) 6.726 9.717 ( -6.404 0.000 -1.380) 6.551 9.953 ( -7.079 0.000 -0.943) 7.142 10.119 ( -2.587 0.000 7.828) 8.244 10.577 ( 4.988 -0.000 -5.074) 7.116 10.831 ( 0.523 -0.000 1.619) 1.702 10.892 ( 1.626 -0.000 2.933) 3.353 11.425 ( 10.271 -0.000 -3.875) 10.977 11.574 ( 8.731 -0.000 3.321) 9.341 11.894 ( -5.539 0.000 -1.308) 5.691 11.969 ( -5.364 0.000 0.517) 5.389 12.841 ( -1.116 0.000 1.017) 1.510 12.941 ( 3.417 -0.000 -7.637) 8.367 12.988 ( -8.819 0.000 3.403) 9.452 13.024 ( -4.948 0.000 -2.301) 5.457 13.584 ( 5.223 -0.000 -4.293) 6.761 13.613 ( -1.738 0.000 1.338) 2.194 13.927 ( 1.104 -0.000 6.299) 6.395 14.265 ( -6.536 0.000 4.253) 7.798 14.748 ( -0.865 0.000 -1.251) 1.521 14.837 ( 6.679 -0.000 -5.054) 8.376 14.861 ( 14.186 -0.000 -1.142) 14.232 15.088 ( 6.060 -0.000 2.311) 6.486 15.677 ( 11.874 -0.000 5.284) 12.997 15.790 ( 10.922 -0.000 -0.219) 10.924 15.873 ( 3.569 -0.000 2.617) 4.426 16.060 ( -1.458 0.000 -2.133) 2.584 16.390 ( -6.362 0.000 2.386) 6.795 16.509 ( 5.368 -0.000 -8.968) 10.452 16.811 ( 0.963 -0.000 2.757) 2.920 16.812 ( -0.448 0.000 -1.226) 1.306 16.993 ( -1.216 0.000 3.596) 3.796 17.049 ( -0.469 0.000 -4.486) 4.511 17.088 ( -7.320 0.000 2.239) 7.655 17.095 ( 4.541 -0.000 0.335) 4.553 19.950 ( 10.767 -0.000 -0.031) 10.767 20.175 ( 9.349 -0.000 1.757) 9.513 21.305 ( -9.920 0.000 3.234) 10.434 21.329 ( -7.724 0.000 -2.997) 8.285 22.693 ( -6.678 0.000 4.954) 8.315 22.930 ( -1.851 0.000 -7.270) 7.502 27.792 ( 0.002 -0.000 2.614) 2.614 28.241 ( -8.226 0.000 2.413) 8.572 29.693 ( 6.199 -0.000 -6.912) 9.284 29.801 ( -0.988 0.000 0.640) 1.177 29.842 ( 1.810 -0.000 1.630) 2.436 29.948 ( -0.886 0.000 4.498) 4.584 31.015 ( 8.868 -0.000 -2.336) 9.171 31.068 ( -0.360 0.000 1.936) 1.969 31.182 ( 0.833 -0.000 -2.158) 2.313 31.232 ( -0.604 0.000 1.022) 1.187 31.731 ( -4.151 0.000 1.823) 4.533 31.908 ( -6.880 0.000 -2.781) 7.420 32.044 ( 0.578 -0.000 2.194) 2.269 32.159 ( 3.501 -0.000 -1.528) 3.820 32.455 ( 4.697 -0.000 -3.083) 5.619 32.540 ( 8.642 -0.000 1.780) 8.823 32.819 ( 4.627 -0.000 7.350) 8.685 33.132 ( 1.650 -0.000 -11.876) 11.990 34.306 ( -0.381 0.000 -0.313) 0.493 34.351 ( 0.738 -0.000 -0.765) 1.063 34.859 ( -11.171 0.000 11.917) 16.334 35.263 ( -8.557 0.000 -5.568) 10.209 36.166 ( 11.582 -0.000 -3.071) 11.983 36.209 ( 9.217 -0.000 5.983) 10.988 37.143 ( -13.967 0.000 7.973) 16.082 37.266 ( -4.150 0.000 -11.695) 12.409 ======================= Grid point 114 (51/95) ======================= q-point: ( 0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 1.296 -11.155 12.267) 16.631 1.575 ( 1.833 -9.528 9.976) 13.916 2.058 ( 3.892 -4.648 -2.996) 6.762 2.199 ( -0.833 0.269 7.962) 8.010 2.618 ( 0.088 2.340 1.713) 2.901 2.705 ( 1.444 9.195 -1.482) 9.425 2.951 ( 0.878 -1.213 2.252) 2.705 2.986 ( 2.202 1.581 -0.114) 2.713 3.165 ( 0.614 -5.726 -13.796) 14.950 3.388 ( 6.995 7.573 3.385) 10.850 3.469 ( -0.290 5.816 5.049) 7.707 3.480 ( 1.595 -0.764 -2.898) 3.395 3.659 ( -4.056 -1.150 -1.244) 4.396 3.683 ( -4.131 -4.787 -1.302) 6.456 3.714 ( -0.013 -4.165 -2.893) 5.071 3.794 ( 1.693 -6.139 6.055) 8.787 4.035 ( 0.322 -2.623 0.307) 2.661 4.232 ( 6.102 -1.667 2.406) 6.767 4.293 ( -1.232 -0.640 -8.240) 8.356 4.409 ( 1.678 -0.226 -8.903) 9.063 4.529 ( 8.157 1.841 2.316) 8.677 4.654 ( 2.131 -0.622 -0.047) 2.221 4.827 ( 5.055 1.607 2.940) 6.065 4.873 ( -1.134 -0.535 -2.849) 3.113 4.944 ( 7.336 -1.948 -0.734) 7.626 5.072 ( 1.809 3.587 -4.297) 5.883 5.130 ( 1.827 3.101 3.848) 5.269 5.425 ( -3.858 0.546 6.521) 7.597 5.556 ( -2.614 3.653 0.269) 4.500 5.652 ( 2.960 2.093 -3.232) 4.857 5.691 ( -4.394 -1.269 -0.697) 4.626 5.818 ( -1.858 -2.629 -3.449) 4.718 5.855 ( -0.319 -2.857 0.536) 2.924 6.018 ( -10.517 -9.270 -1.229) 14.073 6.961 ( -3.703 -4.328 7.370) 9.315 7.466 ( -0.980 0.444 2.279) 2.520 7.547 ( -2.616 4.787 -0.380) 5.469 7.771 ( -3.008 4.340 -2.984) 6.066 7.921 ( -6.504 -5.161 4.942) 9.663 7.962 ( -5.521 -6.972 4.123) 9.802 8.255 ( -1.125 1.191 2.631) 3.099 8.277 ( 3.078 4.022 -2.476) 5.637 8.799 ( 2.026 -0.406 -2.337) 3.119 8.988 ( 5.929 2.681 -2.243) 6.883 9.057 ( 1.379 2.680 -2.054) 3.647 9.190 ( -4.743 1.917 -0.419) 5.133 9.274 ( 1.915 2.957 -2.477) 4.307 9.396 ( -5.413 0.441 -2.062) 5.809 9.638 ( -4.793 1.737 -0.209) 5.102 9.922 ( -6.140 -4.158 -3.140) 8.053 10.110 ( -1.197 1.519 9.189) 9.390 10.586 ( 2.466 1.407 -4.990) 5.741 10.829 ( -0.915 0.825 2.991) 3.235 10.946 ( 3.246 -2.549 1.662) 4.449 11.510 ( 10.142 0.493 -3.507) 10.742 11.648 ( 5.626 1.042 2.528) 6.255 11.838 ( -4.003 0.435 -0.882) 4.122 11.923 ( -5.599 -0.622 0.499) 5.656 12.807 ( -3.276 2.097 3.293) 5.096 12.865 ( 2.354 4.463 -3.349) 6.056 12.957 ( -6.199 -1.206 -0.711) 6.356 13.030 ( -0.508 -2.689 -5.149) 5.831 13.613 ( -0.445 -1.230 0.138) 1.315 13.626 ( 4.845 -0.295 -3.808) 6.169 13.942 ( -0.254 1.232 8.379) 8.473 14.188 ( -6.923 2.444 4.702) 8.718 14.740 ( 0.407 0.091 -1.400) 1.461 14.870 ( 4.638 -0.023 -6.384) 7.891 14.952 ( 11.383 2.991 -0.361) 11.775 15.161 ( 5.540 -0.517 1.311) 5.717 15.753 ( 4.438 2.025 3.120) 5.791 15.838 ( 4.332 4.204 1.033) 6.125 15.894 ( 3.405 3.035 -1.149) 4.704 15.998 ( 1.685 4.189 2.377) 5.103 16.371 ( -2.887 -3.227 2.724) 5.115 16.572 ( 1.524 -4.605 -6.457) 8.076 16.803 ( -0.346 1.273 1.782) 2.217 16.833 ( 0.706 -1.637 -0.567) 1.871 16.996 ( -1.394 -0.379 2.481) 2.871 17.019 ( -5.335 0.925 0.480) 5.436 17.055 ( -0.748 -2.294 -1.739) 2.974 17.144 ( 4.660 -0.496 -1.168) 4.830 20.018 ( 9.665 4.012 0.892) 10.502 20.221 ( 6.226 3.637 0.005) 7.210 21.203 ( -9.656 1.568 3.569) 10.413 21.261 ( -5.277 -0.548 -3.205) 6.198 22.679 ( -5.246 -3.135 5.601) 8.290 22.946 ( -0.023 -5.034 -6.875) 8.521 27.805 ( 0.180 -0.512 3.004) 3.052 28.150 ( -6.066 2.648 -0.435) 6.633 29.666 ( 0.482 4.495 -2.717) 5.274 29.731 ( 2.229 4.244 -1.374) 4.987 29.924 ( 3.909 -1.841 1.280) 4.506 29.978 ( -1.631 -2.573 3.142) 4.377 31.048 ( 4.010 1.341 0.616) 4.273 31.156 ( 3.588 -3.397 -1.340) 5.119 31.162 ( 1.467 -1.260 -1.311) 2.336 31.274 ( -3.351 -4.711 1.566) 5.989 31.729 ( -2.530 -3.102 1.121) 4.157 31.832 ( -5.036 0.776 -2.002) 5.475 32.020 ( 0.473 3.570 2.344) 4.297 32.190 ( 1.935 -0.871 -2.029) 2.936 32.504 ( 5.455 -0.801 -2.237) 5.950 32.612 ( 6.362 1.113 1.458) 6.621 32.851 ( 0.267 1.523 6.433) 6.616 33.107 ( 0.599 0.185 -8.999) 9.021 34.341 ( 0.298 -4.044 -0.133) 4.057 34.378 ( 1.054 -2.659 -1.316) 3.148 34.785 ( -9.088 1.089 11.203) 14.467 35.190 ( -6.115 -1.153 -6.220) 8.798 36.217 ( 6.956 5.276 1.218) 8.815 36.298 ( 9.477 0.748 1.384) 9.606 36.910 ( -4.756 12.601 2.414) 13.683 37.219 ( -7.571 0.341 -6.204) 9.794 ======================= Grid point 115 (52/95) ======================= q-point: ( 0.56 0.33 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( -0.846 -12.694 8.345) 15.215 1.822 ( 1.339 -13.865 8.261) 16.195 2.114 ( -4.449 -1.872 -1.944) 5.203 2.267 ( 3.872 -6.161 3.494) 8.072 2.544 ( 6.262 10.523 1.725) 12.366 2.627 ( -1.643 0.005 1.669) 2.342 2.932 ( -2.231 1.496 -2.776) 3.863 3.011 ( 0.906 2.679 7.266) 7.797 3.174 ( 5.509 1.860 -13.610) 14.800 3.288 ( -5.094 3.894 4.604) 7.894 3.426 ( 1.604 2.572 4.849) 5.718 3.503 ( 2.901 0.748 -1.184) 3.222 3.557 ( -7.853 0.457 0.385) 7.876 3.713 ( -2.567 -5.593 -6.509) 8.958 3.883 ( 2.597 -8.289 0.869) 8.729 3.910 ( 3.840 -3.406 -2.196) 5.583 4.085 ( 0.568 -0.459 2.705) 2.802 4.249 ( -1.511 0.501 -7.959) 8.117 4.294 ( 2.392 2.141 2.445) 4.035 4.421 ( -2.529 -2.532 2.269) 4.238 4.567 ( 1.531 -1.310 -5.295) 5.665 4.682 ( 2.500 -0.013 1.356) 2.844 4.792 ( 1.322 1.332 4.434) 4.815 4.868 ( -0.212 3.569 -6.225) 7.179 4.965 ( 3.669 1.438 1.103) 4.092 5.064 ( -0.368 0.490 -1.858) 1.956 5.195 ( 10.235 -0.929 1.883) 10.448 5.371 ( -4.234 0.031 2.168) 4.756 5.472 ( -1.571 1.458 1.520) 2.627 5.669 ( -0.979 0.513 -2.801) 3.011 5.714 ( 3.882 -4.493 -2.065) 6.287 5.849 ( -1.509 -2.870 -3.096) 4.483 5.905 ( 0.097 -2.384 2.187) 3.237 6.054 ( -8.345 -5.966 -1.752) 10.407 7.080 ( 0.603 -8.537 7.546) 11.410 7.405 ( -1.387 5.417 1.412) 5.767 7.535 ( 1.023 -4.503 -1.660) 4.907 7.666 ( -2.900 3.077 -4.197) 5.958 7.946 ( -3.351 -1.084 6.625) 7.503 8.058 ( -3.153 -6.008 -0.101) 6.786 8.190 ( 0.366 5.186 2.133) 5.620 8.246 ( -2.421 -0.878 1.530) 2.996 8.820 ( 4.207 1.651 -2.844) 5.339 8.950 ( 1.042 4.171 -2.945) 5.211 9.032 ( 3.696 2.568 1.196) 4.657 9.091 ( -4.552 3.847 0.322) 5.968 9.176 ( -3.575 6.552 -0.499) 7.480 9.376 ( 1.214 -0.632 -6.272) 6.420 9.610 ( -1.226 -2.074 2.433) 3.424 9.932 ( -5.113 -4.287 -5.182) 8.448 10.117 ( 1.876 0.739 9.440) 9.653 10.550 ( 0.107 2.461 -5.311) 5.854 10.820 ( -1.498 0.029 5.096) 5.311 11.019 ( 2.618 -1.947 -0.451) 3.294 11.564 ( 8.733 3.324 -2.907) 9.786 11.633 ( -0.518 4.623 1.352) 4.845 11.811 ( -1.394 -0.531 0.462) 1.562 11.897 ( -4.648 -2.347 -0.167) 5.210 12.747 ( -3.688 1.592 3.849) 5.563 12.846 ( 7.065 2.956 -3.763) 8.533 12.935 ( -1.044 -1.234 -1.866) 2.468 13.025 ( -4.357 -1.402 -4.623) 6.506 13.630 ( -2.105 -1.731 0.612) 2.794 13.666 ( 5.822 0.206 -4.230) 7.199 13.937 ( -0.378 1.813 10.084) 10.253 14.094 ( -7.621 2.130 5.577) 9.681 14.747 ( 1.677 -0.391 -1.609) 2.356 14.901 ( 6.033 -0.185 -7.070) 9.297 14.986 ( 7.333 3.616 0.712) 8.207 15.189 ( 0.767 1.439 -0.249) 1.650 15.715 ( 0.694 6.431 1.276) 6.593 15.733 ( -2.340 7.676 -0.258) 8.028 15.849 ( 4.443 5.819 1.378) 7.449 15.960 ( 0.037 4.453 1.201) 4.612 16.447 ( -0.914 -6.233 2.971) 6.965 16.645 ( 1.600 -4.413 -5.265) 7.054 16.763 ( -2.419 2.658 3.890) 5.296 16.884 ( 0.583 -3.796 -0.707) 3.905 16.956 ( -3.754 0.365 -0.801) 3.855 17.000 ( 0.678 0.610 -0.395) 0.994 17.094 ( -0.933 -3.044 0.588) 3.238 17.187 ( 3.767 -0.166 -1.636) 4.110 19.996 ( 4.456 7.247 2.601) 8.896 20.180 ( 2.960 5.860 -2.529) 7.036 21.120 ( -6.242 -0.236 3.397) 7.111 21.238 ( -1.011 -1.630 -3.401) 3.905 22.724 ( -3.999 -5.309 6.400) 9.227 23.038 ( 1.742 -6.748 -6.617) 9.609 27.828 ( 0.333 -0.832 3.173) 3.297 28.051 ( -2.992 3.415 -1.997) 4.960 29.593 ( 0.034 3.497 0.639) 3.555 29.695 ( 1.535 1.775 -2.735) 3.604 29.963 ( 3.134 1.414 1.317) 3.682 29.990 ( -1.906 0.479 0.750) 2.104 31.059 ( 2.202 1.359 0.926) 2.748 31.144 ( 0.107 1.259 -0.621) 1.408 31.305 ( 2.705 -7.064 0.094) 7.565 31.336 ( -3.422 -7.470 0.418) 8.227 31.766 ( -1.782 -1.551 0.114) 2.365 31.807 ( -0.854 -3.120 -0.887) 3.354 31.963 ( 0.546 4.354 3.602) 5.677 32.218 ( 0.832 -2.222 -3.994) 4.645 32.557 ( 5.288 0.461 -1.187) 5.439 32.619 ( 1.552 2.864 0.554) 3.304 32.818 ( -2.292 2.805 5.231) 6.363 33.087 ( 1.714 1.171 -6.681) 6.996 34.415 ( 0.543 -3.945 0.298) 3.994 34.475 ( 1.078 -8.411 -1.475) 8.607 34.721 ( -7.212 1.203 11.188) 13.366 35.141 ( -3.048 -0.302 -6.718) 7.384 36.132 ( 1.006 9.530 3.962) 10.370 36.351 ( 8.277 3.673 -4.805) 10.251 36.712 ( 1.685 9.987 4.576) 11.114 37.075 ( -7.412 5.466 -5.124) 10.539 ======================= Grid point 116 (53/95) ======================= q-point: (-0.33 -0.67 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( -1.528 -3.948 3.935) 5.779 2.037 ( -9.214 -4.466 7.935) 12.954 2.097 ( 3.063 -4.309 -1.744) 5.567 2.316 ( -2.208 3.473 -0.830) 4.198 2.538 ( 3.522 -3.809 6.903) 8.635 2.681 ( 7.788 -2.435 5.383) 9.775 2.795 ( -1.747 16.656 6.047) 17.805 2.934 ( -2.484 -3.638 -4.657) 6.410 3.193 ( -5.190 -0.895 2.169) 5.696 3.265 ( 2.936 -3.940 -10.310) 11.421 3.376 ( -3.192 5.378 6.439) 8.976 3.510 ( -0.342 -0.828 2.403) 2.565 3.538 ( -0.014 -1.518 1.497) 2.132 3.769 ( -2.167 -5.225 -6.169) 8.370 3.972 ( 2.558 0.128 -2.745) 3.755 3.980 ( 5.609 2.283 -1.597) 6.262 4.015 ( 2.056 5.313 -5.646) 8.021 4.200 ( -3.519 -0.354 -8.738) 9.427 4.334 ( 2.818 -4.108 5.570) 7.472 4.440 ( -2.750 -2.201 6.083) 7.029 4.569 ( -2.372 -1.514 -1.984) 3.443 4.710 ( -1.538 10.139 -2.701) 10.605 4.745 ( 3.677 -3.053 -1.343) 4.964 4.860 ( 1.242 -3.008 4.382) 5.459 4.970 ( -0.413 1.659 -3.336) 3.749 5.026 ( 0.995 2.581 -2.035) 3.435 5.230 ( -1.685 0.232 7.723) 7.908 5.427 ( -1.794 -1.286 -1.247) 2.535 5.522 ( 9.439 -6.573 -0.792) 11.529 5.601 ( -6.587 1.354 -2.604) 7.211 5.834 ( -0.176 -3.845 -2.391) 4.531 5.866 ( 4.974 -1.623 -1.513) 5.446 5.967 ( -2.136 -4.201 1.671) 5.001 6.068 ( -0.407 -4.329 -3.387) 5.512 7.245 ( 2.485 -4.128 5.334) 7.188 7.346 ( -0.626 -1.370 -0.789) 1.700 7.601 ( -2.890 0.099 -2.871) 4.075 7.646 ( 2.625 -6.342 -0.136) 6.865 7.919 ( -2.608 2.664 4.006) 5.472 7.983 ( 1.384 9.642 -1.022) 9.794 8.245 ( -4.460 -9.999 2.784) 11.297 8.283 ( -0.580 -4.881 3.385) 5.969 8.754 ( 1.260 8.518 1.321) 8.712 8.908 ( 1.789 1.991 -4.364) 5.119 8.966 ( -0.289 7.661 0.360) 7.675 9.013 ( -0.684 4.694 -1.712) 5.043 9.098 ( -0.309 -2.723 3.631) 4.549 9.367 ( 0.235 0.363 -7.087) 7.100 9.695 ( 1.776 -5.799 4.769) 7.715 9.935 ( -3.650 -3.194 -4.604) 6.687 10.177 ( 2.955 -1.635 7.519) 8.243 10.489 ( -0.705 2.093 -5.820) 6.225 10.827 ( -1.096 -0.286 5.639) 5.752 11.045 ( 0.278 0.030 -2.258) 2.276 11.509 ( -3.665 6.873 0.199) 7.792 11.538 ( 4.776 6.847 -0.918) 8.399 11.841 ( 1.621 -2.611 1.396) 3.375 11.907 ( -2.189 -2.583 -1.316) 3.632 12.706 ( -3.864 0.396 2.212) 4.470 12.876 ( 9.763 1.554 -3.625) 10.530 12.920 ( -3.987 1.086 -1.927) 4.560 13.023 ( -0.116 -4.005 -3.206) 5.132 13.630 ( -2.693 -1.001 0.509) 2.917 13.699 ( 4.251 0.635 -2.884) 5.176 13.941 ( 0.403 1.463 9.999) 10.113 14.014 ( -7.678 0.344 6.263) 9.914 14.773 ( 1.704 -1.066 -1.684) 2.622 14.949 ( 4.698 -0.595 -7.895) 9.206 14.967 ( 3.910 4.905 2.703) 6.830 15.119 ( -6.215 3.591 -1.752) 7.389 15.563 ( 0.890 10.339 1.027) 10.428 15.589 ( -1.546 8.830 0.062) 8.964 15.788 ( 2.361 5.846 2.045) 6.628 15.847 ( -2.517 7.162 -0.915) 7.647 16.554 ( -0.976 -6.268 2.249) 6.730 16.667 ( -1.456 2.893 2.147) 3.886 16.752 ( 0.119 -3.848 -1.169) 4.023 16.918 ( 0.176 0.454 -2.738) 2.781 16.964 ( 0.454 -3.639 -0.522) 3.705 16.992 ( 1.238 0.978 -0.514) 1.659 17.133 ( -1.248 -2.669 0.508) 2.990 17.209 ( 2.486 0.387 -1.108) 2.749 19.894 ( -0.571 7.341 3.283) 8.062 20.080 ( 0.703 6.541 -3.840) 7.617 21.123 ( -2.179 -3.414 2.822) 4.936 21.275 ( 2.402 -2.914 -3.132) 4.907 22.809 ( -2.430 -6.020 6.598) 9.256 23.146 ( 2.535 -5.643 -6.416) 8.913 27.855 ( 0.322 -0.993 2.687) 2.883 27.973 ( -0.869 3.018 -1.830) 3.635 29.560 ( 0.252 1.270 1.903) 2.302 29.680 ( 0.538 0.349 -2.697) 2.772 29.920 ( -4.794 3.281 0.328) 5.819 29.959 ( 4.074 3.678 0.099) 5.490 31.049 ( 0.524 1.652 1.428) 2.246 31.113 ( -1.103 1.541 -0.636) 1.999 31.397 ( -4.823 -7.056 1.826) 8.740 31.498 ( 5.317 -8.249 -1.168) 9.883 31.773 ( 1.018 -0.104 1.147) 1.537 31.828 ( -2.902 0.678 -1.281) 3.244 31.959 ( 2.373 -2.337 5.030) 6.033 32.252 ( -1.468 -3.392 -6.467) 7.449 32.563 ( -0.437 3.013 -0.540) 3.092 32.576 ( 4.102 3.060 -0.960) 5.207 32.758 ( -3.744 2.622 5.183) 6.911 33.053 ( 3.650 3.782 -6.406) 8.286 34.495 ( -0.002 -4.865 3.222) 5.836 34.631 ( -0.075 -4.429 3.375) 5.569 34.690 ( -4.957 -5.977 5.302) 9.403 35.108 ( 2.539 1.365 -7.171) 7.729 35.978 ( -1.322 9.436 4.206) 10.415 36.272 ( 2.996 9.375 -8.551) 13.038 36.632 ( -3.837 2.771 7.784) 9.110 36.920 ( 2.071 6.154 -4.897) 8.133 ======================= Grid point 117 (54/95) ======================= q-point: (-0.22 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 0.931 12.040 4.337) 12.831 1.943 ( -5.590 2.729 -0.190) 6.224 2.120 ( -2.166 3.431 5.668) 6.971 2.340 ( -4.504 -3.762 -0.344) 5.879 2.466 ( -0.798 14.072 3.725) 14.579 2.644 ( 2.258 -0.676 8.991) 9.295 2.843 ( -1.723 -3.104 5.576) 6.610 2.984 ( -2.476 -4.445 -4.981) 7.120 3.187 ( 3.329 -0.630 0.305) 3.401 3.238 ( -4.376 5.568 7.830) 10.558 3.326 ( -1.095 -4.159 -5.088) 6.662 3.536 ( 4.760 1.989 1.098) 5.274 3.580 ( -2.989 -4.166 2.208) 5.582 3.779 ( -2.617 0.088 -2.812) 3.843 3.870 ( 2.012 1.644 -5.879) 6.427 4.026 ( 11.147 1.280 -6.269) 12.853 4.040 ( 6.757 3.004 -1.499) 7.545 4.173 ( 0.955 -2.094 -10.470) 10.720 4.429 ( 1.118 0.248 7.224) 7.314 4.462 ( -1.111 1.047 2.270) 2.736 4.530 ( -3.527 4.286 0.582) 5.581 4.587 ( -1.235 -2.875 -0.911) 3.259 4.772 ( 0.311 1.555 -2.187) 2.702 4.899 ( 1.042 2.728 3.582) 4.621 4.911 ( 1.113 0.839 -1.801) 2.277 5.036 ( 1.158 -2.147 -5.065) 5.622 5.198 ( -7.975 1.398 2.784) 8.562 5.386 ( -2.657 2.976 1.220) 4.172 5.529 ( -2.789 -0.368 0.754) 2.912 5.710 ( 3.016 -7.248 -4.264) 8.934 5.871 ( 0.524 -2.495 -0.010) 2.550 5.950 ( -9.141 -2.366 -0.485) 9.454 5.958 ( 3.255 -3.932 -1.467) 5.311 6.241 ( 11.324 -8.123 -2.331) 14.130 7.280 ( 0.738 -0.495 1.405) 1.662 7.406 ( 2.590 -1.598 -4.723) 5.618 7.576 ( -4.472 -0.786 3.106) 5.501 7.756 ( 1.106 -0.992 -1.607) 2.188 7.855 ( -4.955 0.872 0.266) 5.038 7.885 ( 3.491 0.381 3.212) 4.759 8.382 ( -3.061 -9.725 0.490) 10.207 8.412 ( 2.359 -7.368 4.690) 9.047 8.618 ( -2.032 7.796 5.726) 9.884 8.827 ( 1.961 5.444 -1.150) 5.900 8.895 ( 1.680 4.791 -1.618) 5.329 8.932 ( 2.321 4.089 -1.937) 5.085 9.180 ( -0.700 -4.605 2.939) 5.507 9.353 ( -1.644 -2.864 -4.890) 5.901 9.820 ( -0.956 -5.846 3.449) 6.855 9.968 ( 0.974 -4.355 -2.101) 4.932 10.234 ( -1.457 -0.838 4.875) 5.156 10.450 ( 1.271 0.389 -4.955) 5.130 10.838 ( -0.081 0.114 3.971) 3.974 11.016 ( -2.148 1.098 -2.465) 3.449 11.353 ( -2.855 7.313 -1.193) 7.941 11.460 ( 4.561 7.006 1.134) 8.437 11.916 ( 1.953 -2.687 1.719) 3.740 11.929 ( -0.997 -2.845 -1.996) 3.616 12.670 ( -3.747 -0.166 -0.469) 3.780 12.852 ( -3.078 0.198 -2.146) 3.757 12.968 ( 8.459 -1.746 0.311) 8.643 13.096 ( 2.421 -3.654 -3.480) 5.597 13.622 ( -2.368 -0.725 0.998) 2.670 13.701 ( 1.718 1.997 -0.748) 2.739 13.915 ( -6.845 1.208 9.285) 11.598 14.007 ( -0.207 -1.275 4.380) 4.566 14.760 ( -5.549 3.813 -1.937) 7.006 14.861 ( -5.772 3.060 1.642) 6.736 14.924 ( -7.836 5.965 0.326) 9.854 15.047 ( 7.148 -1.231 -6.548) 9.771 15.412 ( 3.432 9.328 0.057) 9.940 15.465 ( 7.217 8.409 0.162) 11.083 15.677 ( -3.007 8.079 -1.862) 8.820 15.732 ( 2.934 5.481 1.879) 6.495 16.604 ( -2.143 3.039 4.868) 6.126 16.637 ( -1.886 -4.540 1.422) 5.117 16.814 ( -0.900 -3.740 -3.095) 4.937 16.911 ( 3.128 1.633 -1.581) 3.867 16.980 ( 2.826 1.148 -1.678) 3.481 17.022 ( 0.303 -1.909 -1.548) 2.476 17.160 ( -1.129 -1.731 0.332) 2.093 17.223 ( 1.258 -0.301 0.089) 1.296 19.784 ( -1.887 5.092 2.898) 6.156 19.972 ( 0.682 5.508 -4.154) 6.932 21.188 ( -1.159 -4.908 2.152) 5.483 21.351 ( 3.042 -3.671 -2.419) 5.346 22.906 ( -1.205 -5.202 5.978) 8.015 23.227 ( 2.210 -3.473 -6.037) 7.307 27.875 ( 0.120 0.446 2.050) 2.101 27.932 ( 0.048 0.158 -1.028) 1.041 29.554 ( -0.036 0.744 2.822) 2.919 29.676 ( 0.701 0.107 -2.440) 2.541 29.811 ( -4.847 3.544 0.201) 6.008 29.933 ( 3.507 3.339 -0.679) 4.890 31.028 ( -0.073 1.793 2.044) 2.720 31.072 ( -1.529 1.381 -0.756) 2.194 31.471 ( -3.918 -6.308 1.173) 7.518 31.654 ( 4.965 -2.639 1.070) 5.724 31.762 ( -4.280 -0.506 -0.766) 4.377 31.799 ( 2.938 0.856 1.027) 3.228 32.063 ( 1.131 -5.140 3.999) 6.610 32.244 ( -5.103 -1.581 -6.114) 8.119 32.507 ( 0.028 2.879 -2.021) 3.517 32.550 ( 3.786 3.772 -2.172) 5.769 32.687 ( -5.795 2.313 3.032) 6.937 33.010 ( 7.762 4.763 -5.877) 10.838 34.580 ( -0.005 0.868 9.796) 9.834 34.621 ( -5.609 -4.514 7.955) 10.729 34.853 ( -1.359 -9.718 -4.198) 10.672 35.125 ( 11.018 0.246 -6.080) 12.587 35.829 ( -4.155 6.806 3.515) 8.715 36.113 ( 2.623 8.041 -6.567) 10.708 36.517 ( -18.425 -0.047 3.336) 18.725 36.937 ( 14.780 1.078 -1.679) 14.914 ======================= Grid point 118 (55/95) ======================= q-point: (-0.11 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 7.445 10.550 7.295) 14.830 1.859 ( -0.136 4.887 5.314) 7.221 1.987 ( 2.172 14.132 7.998) 16.383 2.199 ( -5.622 9.913 -0.440) 11.404 2.379 ( 1.723 0.745 -3.125) 3.646 2.663 ( -6.418 2.650 -4.660) 8.363 2.793 ( -7.029 -1.835 9.345) 11.837 2.992 ( -0.471 4.791 0.307) 4.824 3.116 ( -0.068 0.609 5.362) 5.396 3.262 ( 2.170 4.433 5.111) 7.105 3.378 ( 1.405 -3.620 -1.428) 4.137 3.585 ( 5.511 -0.181 -1.086) 5.620 3.607 ( 1.161 -3.613 -0.462) 3.823 3.788 ( 0.178 -1.103 -0.040) 1.118 3.856 ( -1.031 -1.069 -12.269) 12.358 4.061 ( 9.856 3.630 2.485) 10.793 4.092 ( 9.296 0.677 -5.087) 10.619 4.196 ( 1.626 -1.021 -5.846) 6.153 4.303 ( -0.622 8.844 1.767) 9.040 4.454 ( -0.114 4.059 -0.715) 4.123 4.527 ( 0.171 -2.334 3.514) 4.221 4.609 ( 1.123 1.068 3.359) 3.700 4.768 ( 0.481 -2.659 -3.493) 4.416 4.857 ( 0.893 4.027 2.305) 4.725 4.923 ( -0.588 -0.765 -2.433) 2.617 5.010 ( -2.109 3.503 2.379) 4.731 5.090 ( -7.252 0.072 -4.006) 8.285 5.319 ( -1.022 2.302 -0.781) 2.637 5.547 ( -0.359 -1.783 0.287) 1.841 5.788 ( -5.390 -4.055 -4.047) 7.866 5.857 ( -6.568 -2.282 -1.699) 7.157 5.978 ( -1.620 -6.357 -2.672) 7.083 6.038 ( 2.121 -1.977 1.321) 3.186 6.455 ( 7.434 -5.997 -1.448) 9.660 7.300 ( 0.022 -0.268 -0.332) 0.427 7.400 ( 1.592 2.009 -4.151) 4.879 7.554 ( -1.498 0.955 2.340) 2.938 7.712 ( 0.682 3.012 -2.508) 3.979 7.832 ( -6.736 -5.028 1.013) 8.466 8.011 ( 1.060 -7.218 3.634) 8.150 8.453 ( -2.082 4.312 9.112) 10.294 8.537 ( -2.585 -6.656 -0.488) 7.157 8.580 ( -0.042 -5.839 4.529) 7.389 8.774 ( 0.460 4.711 -2.527) 5.365 8.849 ( 6.701 -0.177 -0.505) 6.722 8.919 ( 4.438 1.632 0.200) 4.732 9.245 ( -2.976 -5.021 1.927) 6.146 9.403 ( -2.316 -5.554 -2.043) 6.355 9.877 ( -4.609 -4.290 0.104) 6.298 10.073 ( 3.169 -4.740 0.195) 5.706 10.189 ( -6.615 1.711 1.328) 6.961 10.470 ( 2.542 -0.786 -2.118) 3.401 10.834 ( 0.567 1.714 1.084) 2.106 10.973 ( -3.558 0.291 0.278) 3.581 11.233 ( 2.314 5.253 -3.102) 6.524 11.414 ( 6.911 5.674 2.234) 9.217 11.953 ( -1.370 -2.780 -0.943) 3.240 11.976 ( -1.388 -2.670 0.546) 3.058 12.646 ( -2.741 -1.327 -1.717) 3.496 12.856 ( -1.592 -3.372 -0.349) 3.745 13.086 ( 7.251 -2.648 1.358) 7.838 13.163 ( 1.751 -3.230 -3.141) 4.834 13.604 ( -2.470 0.782 0.637) 2.668 13.675 ( 1.320 2.277 1.577) 3.068 13.850 ( -6.979 1.287 7.387) 10.243 14.023 ( -2.340 -0.449 2.251) 3.278 14.565 ( -7.192 7.554 0.084) 10.431 14.679 ( -9.795 5.247 0.196) 11.114 14.872 ( -2.883 -0.583 1.856) 3.478 15.131 ( 6.181 -2.172 -5.681) 8.671 15.349 ( 11.332 6.924 0.050) 13.280 15.442 ( 13.002 5.728 -0.401) 14.214 15.515 ( -1.069 7.337 -2.418) 7.799 15.693 ( 4.477 4.012 1.801) 6.276 16.559 ( -2.014 1.819 5.039) 5.723 16.681 ( -2.118 -2.829 1.469) 3.827 16.826 ( -2.522 -1.104 -5.182) 5.869 16.904 ( 3.830 2.902 -0.537) 4.836 17.000 ( 4.069 0.261 -0.138) 4.080 17.032 ( 0.065 -0.231 -2.738) 2.748 17.169 ( -1.151 -0.408 0.853) 1.489 17.242 ( -0.293 -0.936 0.411) 1.064 19.713 ( -0.620 2.833 2.143) 3.606 19.897 ( 2.313 3.521 -3.970) 5.789 21.262 ( -2.227 -4.973 1.780) 5.732 21.427 ( 1.163 -3.596 -2.024) 4.288 22.978 ( -1.895 -2.874 4.932) 6.015 23.263 ( 0.863 -0.978 -5.570) 5.720 27.849 ( -0.517 2.296 2.296) 3.288 27.973 ( 0.855 -4.199 -0.694) 4.341 29.546 ( 0.254 1.177 3.617) 3.812 29.657 ( 0.855 2.875 -2.188) 3.713 29.739 ( -3.048 0.076 0.127) 3.052 29.927 ( 3.450 0.645 -0.950) 3.636 30.986 ( -0.720 3.330 1.216) 3.618 31.053 ( 0.049 -0.050 0.027) 0.075 31.542 ( -1.954 -5.016 1.737) 5.657 31.626 ( -4.387 3.608 4.048) 6.975 31.798 ( 1.457 2.872 -0.553) 3.267 31.802 ( 2.022 -2.926 -3.561) 5.034 32.143 ( -2.081 -3.009 2.748) 4.576 32.199 ( -4.999 -1.407 -3.513) 6.270 32.447 ( 0.775 3.941 -2.310) 4.633 32.513 ( 1.348 3.492 -3.833) 5.358 32.603 ( -0.877 2.785 2.641) 3.937 33.021 ( 9.922 2.062 -7.684) 12.718 34.530 ( -1.995 4.408 9.187) 10.383 34.720 ( -5.268 -6.582 7.469) 11.263 34.878 ( -0.228 2.680 -3.607) 4.500 35.316 ( 14.284 -8.567 -1.598) 16.733 35.709 ( -4.781 2.543 1.618) 5.652 36.060 ( 6.455 2.261 -2.310) 7.219 36.345 ( -23.101 -3.701 -0.760) 23.408 37.107 ( 12.771 -5.297 -0.448) 13.833 ======================= Grid point 123 (56/95) ======================= q-point: ( 0.44 0.44 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -2.054 0.000 13.064) 13.225 1.558 ( 3.753 -0.000 11.917) 12.494 2.050 ( 2.459 -0.000 -0.126) 2.462 2.177 ( -6.657 0.000 5.848) 8.861 2.608 ( -1.682 0.000 0.769) 1.850 2.826 ( -2.241 0.000 -0.511) 2.299 2.896 ( 0.631 -0.000 -2.942) 3.009 3.050 ( -0.442 0.000 4.648) 4.669 3.097 ( 8.586 -0.000 -16.434) 18.542 3.460 ( -4.925 0.000 5.326) 7.254 3.470 ( 1.720 -0.000 -3.336) 3.754 3.569 ( 0.582 -0.000 -9.383) 9.401 3.595 ( -5.326 0.000 -1.635) 5.571 3.672 ( 4.538 -0.000 9.350) 10.393 3.690 ( -4.876 0.000 12.783) 13.682 3.712 ( 4.901 -0.000 -5.019) 7.015 4.023 ( 1.959 -0.000 0.843) 2.132 4.269 ( 1.907 -0.000 -7.994) 8.219 4.287 ( 6.149 -0.000 4.291) 7.498 4.403 ( 3.992 -0.000 -10.402) 11.142 4.619 ( 0.657 -0.000 -0.970) 1.172 4.685 ( 5.466 -0.000 3.973) 6.757 4.838 ( -0.820 0.000 -6.798) 6.847 4.919 ( -6.520 0.000 6.778) 9.405 4.935 ( 8.812 -0.000 -4.454) 9.874 5.089 ( 1.164 -0.000 -2.562) 2.814 5.201 ( 3.177 -0.000 1.640) 3.575 5.387 ( -8.050 0.000 8.298) 11.561 5.614 ( 3.351 -0.000 1.961) 3.883 5.669 ( 3.233 -0.000 -1.422) 3.532 5.691 ( -4.839 0.000 1.284) 5.007 5.758 ( -0.755 0.000 -9.637) 9.666 5.827 ( 0.293 -0.000 0.268) 0.397 5.829 ( -4.668 0.000 0.541) 4.699 6.915 ( -2.770 0.000 10.147) 10.518 7.439 ( -1.821 0.000 -1.107) 2.131 7.611 ( -0.828 0.000 2.133) 2.288 7.778 ( -3.857 0.000 -1.327) 4.079 7.814 ( -3.242 0.000 -1.084) 3.418 7.845 ( -5.552 0.000 4.512) 7.155 8.259 ( -1.125 0.000 3.212) 3.403 8.356 ( 4.651 -0.000 -2.762) 5.409 8.813 ( 2.552 -0.000 0.080) 2.553 9.034 ( 1.119 -0.000 -5.022) 5.145 9.125 ( 7.443 -0.000 -1.480) 7.588 9.166 ( -3.929 0.000 0.828) 4.015 9.315 ( 3.363 -0.000 -4.575) 5.678 9.325 ( -8.130 0.000 -0.853) 8.175 9.626 ( -2.506 0.000 0.397) 2.538 9.809 ( -5.308 0.000 -4.593) 7.019 10.143 ( -0.383 0.000 10.883) 10.890 10.602 ( 1.449 -0.000 -6.296) 6.460 10.849 ( -0.347 0.000 3.091) 3.110 10.941 ( 1.217 -0.000 1.631) 2.035 11.604 ( 10.320 -0.000 -2.665) 10.658 11.712 ( 2.761 -0.000 1.726) 3.256 11.801 ( -2.454 0.000 -1.286) 2.770 11.865 ( -6.425 0.000 1.150) 6.528 12.790 ( -6.283 0.000 4.867) 7.948 12.900 ( -0.305 0.000 -0.718) 0.780 12.903 ( -1.252 0.000 -1.803) 2.195 13.018 ( 4.406 -0.000 -7.788) 8.948 13.588 ( -1.088 0.000 -0.008) 1.088 13.676 ( 7.336 -0.000 -6.246) 9.635 13.966 ( -2.002 0.000 9.650) 9.855 14.146 ( -8.794 0.000 5.419) 10.330 14.745 ( 1.622 -0.000 -1.539) 2.236 14.880 ( 3.146 -0.000 -7.616) 8.240 15.073 ( 7.463 -0.000 0.676) 7.493 15.200 ( 2.246 -0.000 1.710) 2.823 15.816 ( 3.242 -0.000 1.336) 3.507 15.883 ( -1.267 0.000 -0.236) 1.289 15.977 ( 6.026 -0.000 1.388) 6.184 16.039 ( -2.251 0.000 2.816) 3.605 16.319 ( -2.784 0.000 3.211) 4.250 16.524 ( 1.096 -0.000 -4.979) 5.098 16.819 ( -0.802 0.000 1.197) 1.440 16.832 ( 3.081 -0.000 -2.853) 4.199 16.942 ( -7.321 0.000 2.131) 7.625 17.023 ( 0.735 -0.000 -3.702) 3.774 17.030 ( 0.658 -0.000 4.091) 4.143 17.177 ( 4.009 -0.000 -1.507) 4.283 20.150 ( 9.027 -0.000 0.199) 9.029 20.292 ( 1.302 -0.000 0.336) 1.345 21.138 ( -8.641 0.000 3.808) 9.443 21.214 ( -1.333 0.000 -2.754) 3.060 22.626 ( -3.685 0.000 5.153) 6.335 22.888 ( 1.547 -0.000 -6.270) 6.458 27.815 ( 0.731 -0.000 3.891) 3.960 28.113 ( -4.920 0.000 -2.182) 5.382 29.718 ( 2.155 -0.000 -3.438) 4.058 29.777 ( -1.246 0.000 -1.725) 2.128 29.937 ( 4.465 -0.000 1.635) 4.754 29.940 ( -2.657 0.000 4.395) 5.136 31.072 ( -0.458 0.000 2.004) 2.056 31.163 ( 6.572 -0.000 -1.819) 6.819 31.185 ( 1.178 -0.000 -2.286) 2.572 31.207 ( -2.826 0.000 1.035) 3.010 31.687 ( -1.201 0.000 1.172) 1.678 31.784 ( -3.751 0.000 -1.639) 4.094 32.060 ( -0.143 0.000 2.371) 2.376 32.193 ( 1.068 -0.000 -2.174) 2.422 32.548 ( 6.276 -0.000 -0.992) 6.354 32.671 ( 2.315 -0.000 0.247) 2.328 32.870 ( -3.374 0.000 6.765) 7.560 33.097 ( 2.900 -0.000 -7.636) 8.168 34.307 ( 0.184 -0.000 0.375) 0.418 34.366 ( 1.791 -0.000 -2.709) 3.247 34.743 ( -8.116 0.000 11.049) 13.710 35.128 ( -1.754 0.000 -6.365) 6.602 36.344 ( 0.826 -0.000 4.644) 4.717 36.371 ( 11.439 -0.000 -2.618) 11.735 36.931 ( -13.075 0.000 6.514) 14.608 37.180 ( 2.265 -0.000 -9.960) 10.214 ======================= Grid point 124 (57/95) ======================= q-point: (-0.44 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -5.460 -10.759 9.914) 15.615 1.693 ( 1.772 -7.633 14.402) 16.396 2.048 ( -4.312 0.466 -0.767) 4.405 2.187 ( -1.029 -6.287 2.979) 7.033 2.601 ( -1.839 0.648 -1.284) 2.334 2.753 ( 4.240 5.115 1.140) 6.741 2.889 ( -3.471 0.527 -4.379) 5.612 3.050 ( 0.322 0.553 4.614) 4.658 3.153 ( 4.206 -2.602 -11.033) 12.091 3.418 ( -3.925 1.869 1.652) 4.651 3.471 ( -2.411 7.228 0.861) 7.668 3.513 ( -0.370 1.359 -1.415) 1.997 3.523 ( -1.853 0.060 0.332) 1.883 3.597 ( -2.159 -1.778 -3.784) 4.706 3.793 ( 1.818 -5.442 8.186) 9.996 3.866 ( 5.961 -6.023 0.278) 8.479 4.072 ( 1.976 -2.525 -0.138) 3.209 4.274 ( 5.109 1.687 -7.245) 9.025 4.351 ( 1.622 -0.621 5.487) 5.755 4.406 ( 2.338 1.819 -4.411) 5.313 4.561 ( -2.193 1.667 -5.108) 5.804 4.727 ( 1.628 1.795 -0.520) 2.479 4.816 ( -3.758 1.532 0.606) 4.104 4.841 ( -2.904 -1.862 1.810) 3.896 4.988 ( -4.137 -3.176 -5.731) 7.749 5.094 ( 7.201 4.107 -2.081) 8.547 5.252 ( 4.802 -0.923 2.477) 5.482 5.330 ( -8.114 -0.007 6.614) 10.468 5.526 ( 0.399 6.890 3.367) 7.679 5.663 ( -0.065 2.228 -3.095) 3.814 5.712 ( 4.396 -1.982 -2.252) 5.322 5.760 ( -2.076 -3.482 -4.137) 5.792 5.880 ( 1.683 -3.904 1.553) 4.527 5.897 ( -0.733 -7.102 -0.820) 7.186 6.985 ( 0.770 -5.951 11.096) 12.615 7.455 ( -0.262 -3.305 -3.690) 4.961 7.513 ( -0.639 7.431 2.739) 7.946 7.709 ( -0.884 5.296 -3.757) 6.553 7.847 ( -3.470 -8.416 1.340) 9.201 7.902 ( -2.642 -6.076 4.614) 8.074 8.243 ( -1.419 1.442 2.449) 3.176 8.333 ( 2.628 6.037 -1.766) 6.817 8.850 ( 3.485 -0.998 0.034) 3.626 9.001 ( -0.303 2.682 -4.951) 5.639 9.111 ( -2.241 3.044 0.237) 3.788 9.138 ( 1.778 3.777 -0.782) 4.247 9.227 ( -2.668 3.864 0.219) 4.700 9.355 ( 2.669 -1.947 -5.972) 6.825 9.608 ( 1.609 0.543 2.582) 3.091 9.798 ( -3.263 -4.038 -5.640) 7.665 10.172 ( 1.156 0.546 10.737) 10.812 10.574 ( 0.402 2.091 -6.864) 7.187 10.835 ( -0.986 1.191 4.714) 4.961 10.981 ( -0.732 -3.134 0.042) 3.219 11.675 ( -3.983 2.522 -0.735) 4.771 11.683 ( 8.256 1.399 -2.121) 8.638 11.798 ( -3.704 0.221 1.741) 4.098 11.826 ( 0.114 -1.703 0.053) 1.708 12.740 ( -4.405 1.069 3.669) 5.831 12.892 ( 0.678 0.442 -0.657) 1.043 12.921 ( 1.857 -1.742 -0.915) 2.706 13.020 ( 4.359 2.238 -7.839) 9.245 13.588 ( -1.042 -1.012 -0.845) 1.681 13.723 ( 7.138 0.520 -6.117) 9.415 13.967 ( -3.045 0.321 10.932) 11.352 14.062 ( -9.099 1.523 5.857) 10.927 14.761 ( 2.640 0.092 -1.520) 3.048 14.897 ( 2.935 -1.342 -8.037) 8.661 15.098 ( 2.683 2.716 2.152) 4.383 15.197 ( -3.212 0.810 0.237) 3.321 15.813 ( 1.653 3.758 0.566) 4.144 15.833 ( 0.295 5.166 -1.089) 5.287 15.961 ( -1.301 4.120 3.552) 5.593 16.008 ( -2.703 1.992 1.378) 3.630 16.348 ( -1.965 -4.466 3.340) 5.912 16.562 ( 1.279 -4.360 -4.686) 6.527 16.805 ( -0.569 2.309 2.253) 3.276 16.845 ( 0.419 -1.227 -1.158) 1.739 16.908 ( -2.775 -1.890 -0.984) 3.499 17.021 ( 2.073 0.618 -1.816) 2.825 17.060 ( 0.392 -1.165 3.109) 3.343 17.209 ( 3.020 -0.345 -1.825) 3.546 20.157 ( 2.204 6.428 2.044) 7.096 20.258 ( -1.755 2.912 -1.845) 3.869 21.081 ( -3.623 0.329 3.113) 4.788 21.221 ( 3.128 -0.555 -2.298) 3.921 22.639 ( -2.367 -3.159 5.429) 6.712 22.939 ( 3.142 -5.074 -6.045) 8.495 27.838 ( 1.222 -0.086 4.740) 4.895 28.056 ( -2.387 1.374 -3.556) 4.498 29.667 ( 0.038 5.211 0.076) 5.211 29.742 ( 1.198 2.601 -3.543) 4.556 29.946 ( -2.841 -1.746 3.186) 4.612 30.001 ( 2.195 -1.786 0.891) 2.966 31.080 ( -0.450 -0.346 1.698) 1.790 31.160 ( -1.062 1.269 -0.994) 1.930 31.214 ( -2.319 -3.017 -0.176) 3.809 31.245 ( 3.599 -4.431 -0.887) 5.777 31.710 ( 0.087 -2.641 0.874) 2.783 31.772 ( 0.605 -1.052 -1.342) 1.810 32.038 ( -0.230 2.927 2.994) 4.193 32.192 ( -0.073 -0.232 -3.081) 3.091 32.609 ( 5.480 -0.132 0.097) 5.482 32.651 ( -2.783 1.309 -1.281) 3.332 32.830 ( -5.999 1.296 5.769) 8.423 33.119 ( 6.139 0.678 -5.808) 8.478 34.348 ( 0.398 -4.273 -0.101) 4.293 34.393 ( 1.566 -2.340 -2.687) 3.892 34.702 ( -6.477 0.452 11.382) 13.104 35.113 ( 1.748 -0.311 -6.313) 6.557 36.282 ( -2.419 6.473 3.413) 7.707 36.454 ( 7.897 1.970 -3.085) 8.704 36.792 ( -11.245 3.932 5.790) 13.245 37.147 ( 5.171 5.186 -7.596) 10.551 ======================= Grid point 125 (58/95) ======================= q-point: (-0.33 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -5.382 -14.109 5.684) 16.135 1.868 ( -8.529 -8.110 17.131) 20.784 2.024 ( -0.295 -4.938 -3.376) 5.989 2.331 ( 3.496 -4.726 -4.056) 7.142 2.495 ( -7.989 3.048 6.926) 11.004 2.771 ( 0.836 -0.958 -4.743) 4.910 2.832 ( 3.953 2.426 -1.919) 5.020 3.035 ( -3.029 4.192 9.692) 10.985 3.198 ( 0.529 7.618 -8.968) 11.778 3.222 ( -0.682 0.019 1.391) 1.549 3.405 ( -3.625 0.429 1.635) 4.000 3.444 ( -6.607 2.687 -0.175) 7.135 3.586 ( 5.119 -1.972 -0.481) 5.506 3.640 ( -0.298 -5.780 -3.713) 6.877 3.921 ( -0.472 -6.349 2.331) 6.779 4.016 ( 8.496 -3.800 1.961) 9.512 4.096 ( -0.872 0.785 -3.630) 3.814 4.224 ( 4.554 6.270 -6.751) 10.278 4.351 ( 2.832 1.116 -0.380) 3.068 4.415 ( -1.150 -1.306 5.579) 5.844 4.524 ( -1.584 -0.463 -3.369) 3.751 4.713 ( 0.877 -1.487 -5.192) 5.472 4.802 ( -2.551 -3.689 5.550) 7.136 4.834 ( -2.555 4.068 0.914) 4.890 4.962 ( -3.583 -0.241 -3.107) 4.749 5.051 ( -1.118 2.266 -4.439) 5.108 5.255 ( -2.811 0.926 4.694) 5.549 5.336 ( -2.916 -2.708 3.367) 5.213 5.488 ( 1.276 1.793 -0.764) 2.330 5.615 ( 2.383 1.556 -3.040) 4.164 5.765 ( -0.746 -2.622 -2.752) 3.874 5.818 ( -0.326 -5.326 -1.027) 5.434 5.964 ( 4.932 -1.623 2.210) 5.643 6.018 ( 6.656 -5.467 -2.746) 9.040 7.167 ( 2.651 -8.899 10.232) 13.817 7.380 ( -0.870 5.299 -2.104) 5.767 7.547 ( 0.468 -4.701 1.707) 5.023 7.619 ( 1.525 3.047 -6.232) 7.103 7.930 ( -2.202 -2.326 2.954) 4.357 8.007 ( -2.333 -7.139 4.282) 8.646 8.193 ( -0.933 5.906 1.931) 6.283 8.252 ( 1.870 1.046 0.317) 2.166 8.882 ( 2.446 4.513 -3.471) 6.196 8.924 ( -0.829 0.825 -2.255) 2.541 9.027 ( -3.078 3.459 0.254) 4.637 9.083 ( -2.535 1.296 2.128) 3.555 9.147 ( 5.484 6.963 -1.337) 8.964 9.370 ( 1.565 0.983 -6.479) 6.737 9.671 ( 4.600 -2.388 5.605) 7.634 9.825 ( -1.674 -4.141 -5.739) 7.272 10.211 ( 1.854 -0.024 8.895) 9.086 10.510 ( 0.162 2.907 -7.153) 7.723 10.832 ( -1.103 -0.028 5.948) 6.050 11.007 ( -3.085 -2.133 -1.284) 3.964 11.559 ( -6.217 4.244 -1.831) 7.747 11.666 ( -0.111 4.828 0.158) 4.832 11.815 ( 2.577 -2.896 0.697) 3.939 11.872 ( 2.890 -1.125 -0.233) 3.110 12.695 ( -2.203 1.430 1.606) 3.078 12.874 ( -4.280 0.911 -0.576) 4.414 12.967 ( 3.792 -0.942 -1.458) 4.170 13.025 ( 9.505 1.088 -6.238) 11.421 13.590 ( -1.565 -1.027 -1.004) 2.124 13.753 ( 5.103 1.271 -3.385) 6.254 13.943 ( -8.846 1.128 9.237) 12.839 13.997 ( -1.998 0.082 7.015) 7.294 14.780 ( 2.354 0.184 -1.443) 2.767 14.925 ( 0.646 -1.595 -6.970) 7.179 15.057 ( -1.284 3.202 1.623) 3.813 15.105 ( -8.248 3.416 -0.933) 8.976 15.713 ( -2.698 7.883 1.305) 8.434 15.733 ( 2.789 7.492 -0.340) 8.002 15.884 ( -2.374 3.958 2.451) 5.226 15.916 ( -3.897 4.858 -0.003) 6.228 16.428 ( -3.007 -6.285 2.874) 7.537 16.644 ( 1.287 -5.034 -4.792) 7.068 16.750 ( -1.198 3.343 3.415) 4.927 16.897 ( 2.268 -3.318 -0.837) 4.105 16.928 ( 0.594 -1.707 -0.844) 1.995 17.027 ( 2.954 1.083 -0.904) 3.274 17.089 ( -0.635 -1.589 1.674) 2.394 17.230 ( 1.902 0.037 -1.801) 2.620 20.018 ( -4.442 8.461 3.390) 10.139 20.159 ( -2.904 4.943 -3.317) 6.623 21.087 ( 1.747 -0.982 2.213) 2.985 21.271 ( 5.632 -1.060 -2.222) 6.147 22.714 ( -0.688 -5.504 5.975) 8.153 23.055 ( 3.826 -6.311 -6.186) 9.630 27.863 ( 0.998 0.151 4.731) 4.838 28.006 ( 0.002 2.137 -3.557) 4.150 29.588 ( -1.619 2.993 0.594) 3.455 29.702 ( 1.225 2.168 -2.806) 3.752 29.927 ( -3.343 1.744 1.479) 4.050 30.028 ( 1.316 0.716 0.702) 1.654 31.068 ( -1.813 0.829 1.311) 2.386 31.120 ( -2.155 1.234 -0.883) 2.636 31.259 ( -2.010 -4.991 -0.025) 5.381 31.396 ( 3.917 -9.288 0.433) 10.090 31.768 ( 1.235 -3.021 0.187) 3.269 31.801 ( 1.586 -0.006 -0.648) 1.713 31.998 ( 0.545 2.144 4.366) 4.894 32.183 ( -1.414 -0.856 -4.955) 5.223 32.579 ( -4.119 1.530 -1.327) 4.590 32.652 ( 3.829 1.490 -1.027) 4.235 32.757 ( -7.265 1.591 5.826) 9.448 33.140 ( 7.133 2.620 -5.863) 9.598 34.425 ( 0.377 -4.034 -0.986) 4.170 34.486 ( 1.090 -8.570 -1.245) 8.728 34.671 ( -4.677 1.068 12.148) 13.061 35.137 ( 6.171 -0.490 -6.420) 8.919 36.128 ( -4.097 8.990 3.693) 10.547 36.404 ( 1.082 7.824 -6.124) 9.994 36.626 ( -12.390 4.725 5.369) 14.306 37.097 ( 11.029 6.793 -4.349) 13.664 ======================= Grid point 126 (59/95) ======================= q-point: (-0.22 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( -3.842 -7.430 4.244) 9.380 1.892 ( -9.086 -2.445 9.258) 13.200 2.167 ( 2.364 -4.689 1.962) 5.606 2.210 ( -6.784 3.997 -0.479) 7.888 2.547 ( -6.220 -3.097 3.607) 7.829 2.756 ( -2.713 -0.142 -2.172) 3.478 2.789 ( -3.180 4.463 -0.005) 5.480 2.964 ( 7.749 3.479 7.278) 11.186 3.079 ( -6.257 -1.053 -2.286) 6.744 3.281 ( -3.079 0.894 -0.500) 3.245 3.303 ( -0.919 0.371 -1.496) 1.794 3.442 ( -1.863 -6.283 2.237) 6.925 3.636 ( 3.529 1.233 -3.531) 5.142 3.721 ( 0.958 -2.806 1.840) 3.490 3.948 ( 0.452 5.017 -3.120) 5.926 4.054 ( 1.322 -2.199 -9.586) 9.924 4.152 ( 9.815 -0.291 2.459) 10.123 4.207 ( 9.556 0.440 -4.988) 10.789 4.410 ( 1.542 -4.305 3.173) 5.566 4.437 ( -2.864 -1.929 5.496) 6.490 4.527 ( -0.231 -1.446 -0.619) 1.589 4.668 ( -1.057 10.636 -1.057) 10.741 4.757 ( -1.111 -2.047 -1.754) 2.916 4.860 ( -4.041 -3.547 4.146) 6.790 4.932 ( 0.389 -0.278 -4.989) 5.011 5.010 ( -3.153 -2.281 -2.332) 4.537 5.222 ( -1.912 4.752 3.782) 6.367 5.310 ( -7.714 0.607 2.040) 8.003 5.434 ( -5.987 -2.897 -3.969) 7.745 5.674 ( 5.442 -2.144 -1.019) 5.937 5.785 ( -4.139 -3.403 -1.767) 5.642 5.888 ( 1.447 -2.497 -2.058) 3.545 6.018 ( 6.785 1.850 0.855) 7.084 6.214 ( 12.068 -7.280 -1.905) 14.221 7.296 ( 0.312 1.670 -0.187) 1.710 7.357 ( 1.041 -6.422 4.024) 7.650 7.539 ( -0.023 2.045 -4.207) 4.678 7.687 ( 0.944 -6.052 1.290) 6.260 7.887 ( -2.824 4.360 1.932) 5.542 8.005 ( 1.598 6.944 -0.357) 7.135 8.196 ( -2.611 -8.188 6.368) 10.696 8.342 ( 3.958 -6.154 2.799) 7.834 8.748 ( -2.301 8.009 -0.084) 8.334 8.899 ( -0.130 2.945 -1.448) 3.284 8.966 ( 0.357 2.402 -1.961) 3.121 9.040 ( 1.852 4.375 -0.629) 4.792 9.139 ( 3.898 -0.453 1.751) 4.297 9.321 ( -0.738 2.293 -4.963) 5.517 9.758 ( 0.777 -2.478 2.542) 3.634 9.897 ( 3.374 -5.168 -1.104) 6.270 10.238 ( -0.797 0.864 4.874) 5.014 10.462 ( 1.768 1.162 -5.350) 5.753 10.845 ( -0.851 -0.690 4.779) 4.903 10.987 ( -4.291 -0.196 -0.968) 4.403 11.420 ( -4.721 5.017 -2.658) 7.384 11.582 ( -0.382 4.279 1.163) 4.451 11.889 ( 2.419 -1.860 -1.975) 3.635 11.913 ( 2.680 -1.056 1.855) 3.426 12.658 ( -0.657 1.705 -1.112) 2.139 12.799 ( -5.470 0.518 -0.106) 5.495 13.035 ( 6.748 -1.060 -0.176) 6.833 13.094 ( 8.185 -0.568 -5.646) 9.959 13.592 ( -1.052 -1.062 -0.123) 1.499 13.754 ( 2.129 2.148 -0.297) 3.039 13.862 ( -9.451 0.400 8.529) 12.736 14.017 ( -0.156 -0.321 5.128) 5.140 14.766 ( -2.810 2.748 -2.371) 4.589 14.844 ( -10.299 3.728 -0.222) 10.956 14.944 ( -8.347 5.301 3.227) 10.401 15.047 ( 3.636 -2.005 -7.505) 8.577 15.556 ( -1.862 6.721 1.323) 7.098 15.651 ( 4.604 6.482 0.367) 7.960 15.766 ( -3.284 6.565 -2.865) 7.880 15.826 ( -1.245 3.455 3.434) 5.028 16.500 ( -4.485 -5.547 1.736) 7.341 16.681 ( 0.197 1.944 2.540) 3.205 16.733 ( 0.013 -2.865 -3.482) 4.509 16.956 ( 3.763 -0.035 -0.618) 3.813 16.976 ( 0.679 -3.055 -0.102) 3.132 17.036 ( 3.902 1.410 -0.452) 4.174 17.116 ( -0.760 -2.378 0.299) 2.514 17.234 ( 0.848 0.386 -1.276) 1.580 19.854 ( -5.467 5.919 3.428) 8.756 20.041 ( -2.142 4.646 -4.001) 6.494 21.142 ( 2.879 -1.746 1.917) 3.875 21.339 ( 5.127 -1.396 -2.128) 5.724 22.830 ( 0.871 -5.722 5.926) 8.283 23.166 ( 3.386 -4.756 -6.110) 8.451 27.880 ( 0.358 -0.133 3.568) 3.588 27.962 ( 0.881 2.695 -2.320) 3.664 29.545 ( -2.690 0.017 0.003) 2.690 29.682 ( 0.813 0.479 -1.965) 2.180 29.843 ( -3.236 4.380 1.562) 5.665 30.012 ( 1.206 2.586 0.235) 2.863 31.042 ( -1.941 0.258 1.372) 2.391 31.075 ( -2.305 1.417 -0.600) 2.772 31.335 ( -1.666 -6.053 -0.026) 6.278 31.602 ( 4.796 -9.248 0.380) 10.424 31.761 ( -2.603 3.330 1.234) 4.403 31.828 ( 3.180 -0.855 0.619) 3.351 32.029 ( 2.262 -2.207 4.388) 5.408 32.158 ( -3.577 -0.758 -6.399) 7.370 32.524 ( -2.099 0.831 -1.844) 2.915 32.615 ( -1.995 2.888 -2.609) 4.374 32.692 ( -3.401 2.071 5.152) 6.512 33.134 ( 7.119 3.864 -6.106) 10.144 34.495 ( -2.019 -5.263 1.705) 5.889 34.632 ( -3.440 -1.635 6.935) 7.912 34.683 ( 3.414 -7.630 3.564) 9.087 35.211 ( 11.218 -0.772 -6.639) 13.058 35.938 ( -5.414 9.714 4.027) 11.827 36.215 ( -4.555 8.431 -7.434) 12.128 36.433 ( -12.604 5.610 3.717) 14.288 37.112 ( 13.046 4.500 -1.549) 13.887 ======================= Grid point 127 (60/95) ======================= q-point: (-0.11 -0.56 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.278 6.882 5.510) 8.820 1.864 ( -5.177 -3.717 9.911) 11.784 2.147 ( 1.546 0.319 0.065) 1.580 2.233 ( -3.587 0.396 0.565) 3.653 2.428 ( -3.796 5.937 -3.257) 7.763 2.665 ( -7.610 6.341 -0.859) 9.943 2.712 ( -5.696 -1.133 9.013) 10.722 3.016 ( 3.416 1.006 0.652) 3.620 3.167 ( -4.184 -13.586 -1.513) 14.296 3.197 ( -2.263 2.445 4.001) 5.207 3.354 ( 4.016 -0.958 -2.945) 5.072 3.568 ( 1.007 -4.105 7.140) 8.297 3.605 ( 0.618 -0.773 -8.053) 8.113 3.748 ( 1.297 1.113 2.455) 2.991 3.849 ( -1.023 3.514 -5.936) 6.974 4.097 ( 3.871 -1.468 -9.205) 10.093 4.241 ( 9.358 0.746 0.212) 9.390 4.289 ( 10.921 2.703 -0.990) 11.294 4.435 ( -3.958 2.106 -0.946) 4.582 4.497 ( 1.439 -2.434 3.097) 4.193 4.510 ( 4.205 4.727 7.078) 9.493 4.582 ( -0.390 -3.779 0.519) 3.834 4.740 ( -1.522 0.181 -2.100) 2.599 4.883 ( -3.649 -2.213 -0.315) 4.279 4.913 ( -0.050 1.310 -1.366) 1.894 5.065 ( -1.985 6.758 -2.720) 7.550 5.072 ( 1.055 -1.592 -0.226) 1.923 5.225 ( -10.729 -1.536 1.170) 10.901 5.466 ( -2.718 -4.890 -2.106) 5.978 5.687 ( -6.657 1.194 -1.287) 6.885 5.810 ( 2.153 -2.096 -0.265) 3.017 5.920 ( 2.444 -1.114 -4.276) 5.050 6.061 ( 4.440 0.120 0.974) 4.547 6.423 ( 7.932 -5.581 -0.832) 9.735 7.283 ( 0.168 -0.473 -2.495) 2.545 7.459 ( 4.731 -0.417 -1.926) 5.125 7.503 ( -3.968 -1.817 1.845) 4.738 7.742 ( -2.002 0.733 -0.449) 2.179 7.781 ( -2.257 3.389 -0.561) 4.110 7.963 ( 2.244 -0.012 3.444) 4.110 8.347 ( -1.559 -9.748 4.616) 10.898 8.499 ( 3.594 -6.064 2.456) 7.465 8.597 ( -2.706 7.505 3.829) 8.849 8.842 ( -0.379 3.854 -2.526) 4.624 8.925 ( 3.193 2.713 -0.576) 4.229 8.992 ( 1.552 2.618 0.136) 3.046 9.179 ( 1.501 -0.775 -0.196) 1.701 9.305 ( -1.648 -2.697 -0.159) 3.165 9.795 ( -0.916 -2.212 -0.139) 2.398 10.021 ( 3.547 -4.702 0.989) 5.973 10.180 ( -4.515 3.352 -0.154) 5.625 10.473 ( 2.313 -0.653 -1.968) 3.107 10.864 ( 0.348 -0.239 2.735) 2.767 10.941 ( -3.806 0.361 0.172) 3.827 11.307 ( -1.221 3.669 -2.880) 4.821 11.534 ( 1.966 2.826 1.394) 3.714 11.913 ( 0.524 -0.913 -2.409) 2.628 11.952 ( 0.399 -0.455 1.900) 1.994 12.623 ( -0.126 0.959 -2.324) 2.518 12.783 ( -2.070 -2.316 0.911) 3.237 13.107 ( 3.244 -1.488 0.190) 3.573 13.163 ( 7.433 -0.676 -4.646) 8.791 13.601 ( 0.009 -0.357 0.729) 0.812 13.729 ( 0.703 2.210 1.542) 2.785 13.802 ( -8.017 -0.076 7.507) 10.983 14.013 ( -2.515 0.638 2.859) 3.861 14.600 ( -9.701 5.467 -0.313) 11.139 14.678 ( -6.927 5.081 -0.376) 8.599 14.854 ( -3.515 1.177 3.864) 5.354 15.110 ( 4.298 -3.031 -8.072) 9.634 15.494 ( 2.561 2.015 0.965) 3.399 15.601 ( 2.528 4.473 -1.051) 5.244 15.630 ( 1.813 6.335 -1.562) 6.772 15.782 ( 0.338 2.375 2.588) 3.529 16.533 ( -4.635 -3.049 1.871) 5.855 16.664 ( 0.984 1.305 4.323) 4.622 16.763 ( -0.892 -2.267 -5.583) 6.092 16.979 ( 3.571 1.672 0.493) 3.974 17.006 ( -1.481 -1.432 -0.717) 2.182 17.055 ( 4.699 1.083 -1.312) 4.998 17.152 ( 0.380 -1.544 -0.039) 1.591 17.230 ( -0.448 0.017 -0.419) 0.613 19.752 ( -2.917 2.614 2.661) 4.735 19.954 ( -0.056 2.987 -3.898) 4.911 21.199 ( 1.097 -1.956 2.059) 3.045 21.393 ( 2.336 -1.423 -2.228) 3.527 22.934 ( 0.501 -3.452 5.350) 6.387 23.234 ( 2.113 -2.178 -5.719) 6.474 27.889 ( -0.238 1.233 2.606) 2.893 27.933 ( 0.713 -0.205 -1.410) 1.593 29.531 ( -2.634 -1.377 -0.572) 3.026 29.683 ( 0.466 0.044 -1.680) 1.744 29.757 ( -1.106 3.439 2.751) 4.541 29.978 ( 1.333 2.341 -0.183) 2.700 31.024 ( -1.714 2.060 0.795) 2.795 31.040 ( -0.822 -0.955 0.310) 1.298 31.427 ( -0.662 -6.339 0.124) 6.375 31.658 ( -5.139 3.398 1.287) 6.294 31.774 ( 4.976 -3.461 1.005) 6.144 31.856 ( 2.536 1.286 0.902) 2.983 32.090 ( -2.170 -0.797 -1.284) 2.644 32.124 ( -0.959 -2.553 -1.188) 2.975 32.492 ( -0.210 1.488 -2.344) 2.784 32.539 ( -2.967 1.866 -2.022) 4.046 32.648 ( -0.214 1.808 2.386) 3.001 33.118 ( 5.922 3.139 -6.411) 9.275 34.553 ( -5.392 -3.152 6.138) 8.757 34.628 ( -0.569 -0.380 7.929) 7.959 34.869 ( 4.041 -5.956 0.056) 7.198 35.338 ( 13.334 -3.140 -6.750) 15.271 35.741 ( -5.877 7.063 1.965) 9.396 36.057 ( -7.281 1.111 -5.436) 9.154 36.239 ( -8.026 6.201 2.908) 10.552 37.172 ( 9.042 0.834 -0.476) 9.093 ======================= Grid point 133 (61/95) ======================= q-point: (-0.44 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( -9.964 0.000 10.688) 14.613 1.676 ( -3.006 0.000 19.836) 20.063 2.056 ( -2.378 0.000 0.727) 2.487 2.068 ( -5.349 0.000 0.344) 5.360 2.598 ( 1.529 -0.000 -6.335) 6.517 2.800 ( -0.040 0.000 -0.366) 0.368 2.889 ( 1.186 -0.000 -1.941) 2.275 3.059 ( -2.776 0.000 9.248) 9.656 3.140 ( 4.089 -0.000 -12.247) 12.912 3.375 ( -3.796 0.000 0.061) 3.797 3.464 ( -0.140 0.000 -8.072) 8.073 3.484 ( -6.018 0.000 2.670) 6.584 3.555 ( 4.129 -0.000 -0.151) 4.132 3.670 ( -1.888 0.000 12.198) 12.343 3.705 ( -1.928 0.000 -8.422) 8.640 3.902 ( 8.797 -0.000 8.480) 12.219 4.067 ( 2.050 -0.000 -3.236) 3.831 4.321 ( 5.873 -0.000 -7.144) 9.248 4.353 ( -3.150 0.000 2.901) 4.282 4.464 ( 5.044 -0.000 -3.780) 6.303 4.519 ( -5.321 0.000 -0.237) 5.326 4.690 ( -6.405 0.000 -12.159) 13.742 4.767 ( -9.458 0.000 7.423) 12.023 4.816 ( 0.766 -0.000 2.805) 2.908 4.924 ( -1.936 0.000 -6.248) 6.541 5.199 ( 7.453 -0.000 -3.455) 8.215 5.276 ( -7.377 0.000 7.158) 10.279 5.301 ( 3.295 -0.000 5.719) 6.600 5.637 ( -1.116 0.000 -1.209) 1.645 5.641 ( -1.554 0.000 3.731) 4.042 5.717 ( 2.446 -0.000 -0.805) 2.575 5.752 ( 4.219 -0.000 -8.862) 9.815 5.821 ( 4.183 -0.000 0.003) 4.183 5.844 ( 1.176 -0.000 0.763) 1.402 6.989 ( 3.829 -0.000 12.679) 13.245 7.420 ( 1.547 -0.000 -5.491) 5.705 7.618 ( 0.134 -0.000 2.732) 2.735 7.708 ( -3.201 0.000 2.977) 4.371 7.781 ( 0.629 -0.000 -3.235) 3.296 7.816 ( -0.035 0.000 3.541) 3.541 8.248 ( -1.895 0.000 2.492) 3.130 8.401 ( 1.401 -0.000 -2.204) 2.612 8.868 ( 1.730 -0.000 2.068) 2.696 9.004 ( -0.219 0.000 -6.786) 6.790 9.120 ( -8.835 0.000 -0.701) 8.863 9.124 ( -0.592 0.000 -1.118) 1.265 9.308 ( 8.766 -0.000 -1.268) 8.857 9.335 ( 1.119 -0.000 -2.933) 3.139 9.654 ( 5.052 -0.000 2.174) 5.500 9.736 ( 0.787 -0.000 -5.133) 5.193 10.218 ( 0.955 -0.000 10.932) 10.973 10.579 ( 0.761 -0.000 -7.617) 7.655 10.851 ( -1.377 0.000 3.576) 3.832 10.927 ( -3.725 0.000 1.017) 3.862 11.623 ( -8.399 0.000 -2.302) 8.708 11.737 ( -7.912 0.000 1.988) 8.158 11.773 ( 8.709 -0.000 -1.884) 8.910 11.854 ( 4.618 -0.000 1.189) 4.768 12.730 ( -1.266 0.000 2.447) 2.755 12.907 ( 1.663 -0.000 -1.046) 1.965 12.921 ( 2.017 -0.000 0.059) 2.018 13.067 ( 5.755 -0.000 -6.823) 8.926 13.572 ( 0.153 -0.000 -2.601) 2.605 13.775 ( 6.808 -0.000 -7.291) 9.975 13.966 ( -4.532 0.000 12.788) 13.567 14.004 ( -9.033 0.000 5.282) 10.464 14.788 ( 3.379 -0.000 -1.207) 3.588 14.884 ( 1.773 -0.000 -7.469) 7.677 15.126 ( -3.085 0.000 2.717) 4.111 15.157 ( -6.935 0.000 -0.190) 6.937 15.862 ( 0.202 -0.000 1.610) 1.623 15.894 ( 3.367 -0.000 -2.262) 4.057 15.953 ( -8.114 0.000 2.288) 8.430 15.995 ( -4.984 0.000 3.645) 6.174 16.296 ( -2.357 0.000 2.657) 3.552 16.526 ( 2.283 -0.000 -4.618) 5.151 16.824 ( 0.342 -0.000 1.918) 1.948 16.841 ( -2.038 0.000 -1.206) 2.368 16.864 ( 1.271 -0.000 -1.543) 1.999 17.047 ( 3.267 -0.000 -1.442) 3.571 17.070 ( 0.746 -0.000 3.722) 3.796 17.225 ( 2.181 -0.000 -1.930) 2.912 20.224 ( -6.827 0.000 -2.468) 7.259 20.230 ( -2.768 0.000 3.001) 4.083 21.087 ( 2.618 -0.000 2.050) 3.325 21.259 ( 6.355 -0.000 -0.981) 6.431 22.612 ( -0.588 0.000 4.491) 4.530 22.914 ( 4.687 -0.000 -5.616) 7.315 27.874 ( 2.565 -0.000 6.604) 7.085 28.038 ( -0.891 0.000 -4.905) 4.985 29.731 ( -1.966 0.000 -3.949) 4.411 29.762 ( 3.631 -0.000 -0.973) 3.759 29.907 ( -2.864 0.000 3.227) 4.315 29.991 ( -0.312 0.000 2.594) 2.613 31.072 ( -0.901 0.000 2.043) 2.233 31.143 ( -3.261 0.000 -1.301) 3.511 31.182 ( 0.549 -0.000 -2.235) 2.301 31.219 ( -1.118 0.000 0.451) 1.205 31.702 ( 1.849 -0.000 1.656) 2.482 31.783 ( 4.824 -0.000 -2.130) 5.273 32.066 ( -0.820 0.000 2.670) 2.793 32.181 ( -0.588 0.000 -2.464) 2.534 32.604 ( -6.941 0.000 -2.633) 7.423 32.660 ( 4.633 -0.000 1.092) 4.760 32.785 ( -8.595 0.000 5.084) 9.986 33.183 ( 8.445 -0.000 -5.371) 10.008 34.315 ( 0.464 -0.000 0.597) 0.756 34.381 ( 1.614 -0.000 -4.238) 4.535 34.685 ( -4.789 0.000 12.221) 13.125 35.123 ( 4.627 -0.000 -6.014) 7.588 36.290 ( -7.510 0.000 1.391) 7.638 36.557 ( 7.997 -0.000 1.334) 8.108 36.720 ( -11.579 0.000 2.051) 11.759 37.238 ( 8.073 -0.000 -6.236) 10.201 ======================= Grid point 134 (62/95) ======================= q-point: (-0.33 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( -10.586 -12.591 7.882) 18.240 1.725 ( -11.748 -4.788 25.021) 28.053 1.961 ( -1.516 0.352 -4.506) 4.767 2.171 ( -3.357 -10.908 0.619) 11.429 2.539 ( -4.703 5.161 -6.328) 9.424 2.754 ( -1.706 4.206 -3.017) 5.451 2.915 ( 4.838 -0.422 1.061) 4.971 3.054 ( -2.339 0.837 9.589) 9.906 3.161 ( 2.318 -2.876 -6.148) 7.172 3.358 ( -3.733 -0.001 -3.805) 5.330 3.374 ( -3.674 6.872 0.729) 7.826 3.458 ( -5.625 2.281 1.713) 6.307 3.527 ( 1.511 1.491 -6.119) 6.476 3.634 ( 5.567 -1.789 2.178) 6.240 3.812 ( -0.040 -7.195 2.903) 7.759 4.024 ( 6.179 -2.860 2.974) 7.430 4.078 ( 0.176 -1.680 -4.996) 5.274 4.284 ( -3.300 0.733 -3.236) 4.680 4.355 ( -4.631 -3.480 0.793) 5.847 4.455 ( 2.010 5.250 -5.955) 8.190 4.500 ( 1.354 -0.384 3.099) 3.404 4.651 ( 0.286 -2.383 -10.255) 10.532 4.716 ( -7.126 -2.319 4.218) 8.600 4.815 ( -4.452 -0.425 5.789) 7.315 4.910 ( 0.516 -1.234 -5.101) 5.273 5.098 ( -7.371 6.521 -4.168) 10.688 5.263 ( -1.608 2.889 5.362) 6.299 5.342 ( 5.262 0.489 3.907) 6.572 5.607 ( -3.357 5.014 -1.362) 6.186 5.652 ( 6.812 0.751 2.716) 7.372 5.688 ( -1.795 -0.806 -3.187) 3.746 5.758 ( 2.284 -1.772 -3.431) 4.487 5.938 ( 3.681 -6.961 0.089) 7.875 5.987 ( 10.834 -7.252 -1.470) 13.120 7.118 ( 5.664 -4.711 12.254) 14.298 7.423 ( 0.813 0.651 -8.676) 8.739 7.550 ( 1.079 3.419 6.993) 7.859 7.700 ( 2.179 5.812 -4.164) 7.474 7.805 ( -2.283 -7.932 3.417) 8.934 7.918 ( 0.650 -5.873 5.587) 8.132 8.229 ( -0.832 0.835 1.573) 1.966 8.351 ( 0.656 5.616 -1.696) 5.903 8.897 ( 0.263 -1.707 0.596) 1.827 8.947 ( -1.773 3.334 -7.595) 8.482 9.026 ( -6.531 1.656 2.085) 7.053 9.105 ( 0.588 1.475 -2.904) 3.309 9.293 ( 4.129 4.734 -0.946) 6.352 9.396 ( 5.922 0.418 -2.639) 6.496 9.723 ( 6.630 0.020 2.784) 7.191 9.762 ( 3.746 -2.407 -3.538) 5.687 10.253 ( 0.613 0.207 9.292) 9.315 10.541 ( 0.769 2.460 -7.784) 8.199 10.836 ( -2.231 0.560 4.515) 5.067 10.921 ( -4.776 -3.139 0.271) 5.722 11.519 ( -9.366 1.088 -3.041) 9.907 11.665 ( -7.756 0.451 2.184) 8.070 11.844 ( 7.524 -0.146 -1.379) 7.651 11.902 ( 4.383 -0.011 0.958) 4.487 12.725 ( 1.769 1.654 0.840) 2.563 12.876 ( -1.386 3.181 -1.640) 3.838 12.976 ( 4.006 -2.304 -0.218) 4.626 13.108 ( 7.988 0.363 -5.054) 9.460 13.566 ( -0.014 -0.129 -3.201) 3.204 13.804 ( 3.142 0.587 -3.945) 5.077 13.913 ( -7.367 2.284 7.940) 11.069 13.984 ( -2.594 -1.553 7.911) 8.469 14.810 ( 2.684 0.714 -0.900) 2.919 14.880 ( -1.556 -0.938 -6.228) 6.488 15.056 ( -7.723 2.326 -1.278) 8.166 15.075 ( -7.411 1.224 2.578) 7.942 15.786 ( -7.823 5.527 3.366) 10.153 15.857 ( -2.813 3.326 -1.889) 4.748 15.889 ( -1.758 2.700 1.580) 3.588 15.934 ( -5.041 2.314 2.039) 5.910 16.324 ( -1.181 -4.119 1.959) 4.712 16.569 ( 2.362 -3.602 -5.338) 6.859 16.793 ( -1.345 2.157 2.402) 3.498 16.870 ( 2.248 -2.161 0.448) 3.150 16.899 ( 2.031 -2.623 -2.409) 4.100 17.073 ( 3.441 0.528 -0.329) 3.497 17.083 ( 0.378 0.237 2.821) 2.856 17.238 ( 1.426 -0.091 -1.877) 2.359 20.087 ( -9.155 6.126 1.562) 11.126 20.165 ( -7.025 2.272 -0.635) 7.410 21.137 ( 7.414 0.623 1.234) 7.542 21.325 ( 7.577 0.016 -0.869) 7.627 22.657 ( 1.448 -3.405 4.597) 5.901 22.988 ( 5.498 -4.442 -5.902) 9.208 27.912 ( 2.812 1.458 7.412) 8.061 28.020 ( 1.177 0.403 -4.829) 4.987 29.638 ( -2.640 5.297 -2.219) 6.321 29.755 ( 1.243 3.467 -1.723) 4.067 29.915 ( -1.491 -1.212 1.858) 2.673 30.011 ( -2.160 -2.223 2.456) 3.955 31.058 ( -2.823 0.595 0.941) 3.034 31.106 ( -2.487 0.674 -1.556) 3.010 31.197 ( 0.453 -2.015 -1.624) 2.628 31.271 ( -0.199 -8.006 1.798) 8.208 31.743 ( 2.272 -1.501 1.619) 3.169 31.839 ( 6.710 -0.130 -2.422) 7.135 32.042 ( -1.260 2.050 3.078) 3.907 32.162 ( -0.870 0.523 -2.852) 3.028 32.528 ( -6.882 -0.321 -2.350) 7.280 32.678 ( -3.487 0.751 -2.244) 4.214 32.723 ( -4.101 0.097 7.644) 8.675 33.230 ( 7.695 1.599 -6.997) 10.523 34.358 ( 0.806 -3.748 -0.257) 3.843 34.400 ( 0.998 -2.747 -3.384) 4.471 34.685 ( -2.462 0.374 13.819) 14.041 35.170 ( 7.466 -1.103 -5.992) 9.637 36.180 ( -8.721 3.793 1.054) 9.569 36.535 ( -6.932 6.315 10.435) 14.029 36.609 ( -1.041 5.027 -8.639) 10.049 37.278 ( 10.640 3.317 -4.122) 11.882 ======================= Grid point 135 (63/95) ======================= q-point: (-0.22 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -7.524 -17.706 5.631) 20.046 1.740 ( -12.469 -5.667 18.697) 23.177 2.023 ( -1.042 -7.491 0.625) 7.589 2.282 ( -19.570 3.632 1.507) 19.961 2.363 ( 1.326 -7.727 -4.391) 8.986 2.649 ( -3.467 2.546 -5.618) 7.076 2.934 ( 2.552 5.164 4.244) 7.155 3.034 ( -3.640 3.466 4.511) 6.754 3.166 ( -1.501 7.506 -0.820) 7.699 3.244 ( 0.201 -4.781 -0.385) 4.801 3.283 ( -6.955 6.598 -0.764) 9.617 3.370 ( 0.778 -2.172 -0.742) 2.423 3.594 ( 1.918 -5.189 -5.095) 7.521 3.737 ( 5.624 -2.265 2.523) 6.567 3.948 ( 2.516 -5.986 1.450) 6.653 4.021 ( -2.593 1.731 -8.557) 9.107 4.186 ( 4.931 -5.765 3.952) 8.554 4.276 ( 2.151 1.581 -3.538) 4.432 4.324 ( -7.416 -3.514 -2.334) 8.531 4.410 ( 1.230 -1.303 2.886) 3.397 4.512 ( -1.533 0.336 1.349) 2.070 4.698 ( 2.265 -3.426 -7.197) 8.286 4.729 ( -4.117 -2.908 3.734) 6.272 4.800 ( -4.545 -1.649 4.146) 6.369 4.905 ( -3.333 3.558 -3.741) 6.145 4.926 ( -1.046 1.985 -4.589) 5.109 5.233 ( -3.291 -2.645 3.198) 5.297 5.373 ( 6.597 4.040 1.333) 7.850 5.440 ( -3.213 10.021 -1.855) 10.686 5.659 ( -5.487 -1.594 -2.942) 6.427 5.719 ( 4.331 -2.167 0.172) 4.846 5.851 ( 5.414 -3.466 -0.998) 6.505 6.079 ( 6.017 -3.242 -1.557) 7.010 6.222 ( 13.946 -6.572 -0.854) 15.441 7.277 ( 2.921 -4.910 8.112) 9.922 7.351 ( 0.046 4.054 -5.093) 6.509 7.606 ( 3.326 -1.507 6.940) 7.842 7.624 ( 2.331 2.330 -6.963) 7.703 7.885 ( -3.599 -2.465 1.758) 4.703 8.022 ( -0.373 -4.010 7.988) 8.946 8.206 ( 1.126 4.693 3.930) 6.224 8.307 ( 3.841 -2.209 0.278) 4.440 8.825 ( -3.444 5.279 -4.260) 7.608 8.927 ( 0.607 0.775 -2.329) 2.529 8.956 ( -4.297 -0.460 1.145) 4.471 9.076 ( 0.025 1.667 -3.238) 3.642 9.252 ( 5.084 4.875 0.884) 7.099 9.392 ( 5.127 5.086 -2.862) 7.768 9.760 ( 3.102 0.053 -1.811) 3.592 9.880 ( 7.957 -3.436 3.052) 9.189 10.268 ( -0.553 1.265 5.119) 5.302 10.489 ( 1.442 1.919 -5.706) 6.190 10.822 ( -3.465 -0.899 3.273) 4.850 10.929 ( -3.535 -2.081 1.043) 4.233 11.403 ( -8.343 1.447 -3.437) 9.138 11.596 ( -5.786 0.622 2.090) 6.183 11.904 ( 4.569 0.050 -2.162) 5.055 11.940 ( 3.855 0.147 1.646) 4.194 12.708 ( 2.918 3.358 -2.302) 5.009 12.794 ( -1.583 3.042 0.297) 3.442 13.053 ( 4.045 -2.130 -0.447) 4.593 13.170 ( 8.914 0.495 -4.795) 10.134 13.566 ( -0.108 -1.022 -1.665) 1.956 13.777 ( -5.496 0.863 3.057) 6.348 13.850 ( -0.979 2.841 5.939) 6.656 14.011 ( -1.107 -1.108 3.517) 3.850 14.764 ( -10.267 3.637 -1.917) 11.059 14.812 ( -3.842 2.141 -1.572) 4.671 14.955 ( -6.954 3.387 4.005) 8.710 15.014 ( 0.150 -1.657 -5.530) 5.775 15.609 ( -9.023 5.350 2.222) 10.722 15.749 ( -4.859 3.963 -1.485) 6.443 15.830 ( -4.486 1.424 2.331) 5.252 15.837 ( -2.285 5.386 0.651) 5.886 16.392 ( -1.043 -4.152 1.393) 4.502 16.635 ( 1.047 -3.719 -5.275) 6.538 16.759 ( 0.541 2.168 2.154) 3.104 16.924 ( -0.785 -2.900 1.233) 3.248 16.977 ( 4.956 -2.685 -1.541) 5.843 17.079 ( -0.376 -0.251 -0.319) 0.554 17.103 ( 3.944 0.886 1.892) 4.463 17.240 ( 0.246 0.280 -1.482) 1.529 19.890 ( -9.893 6.053 3.504) 12.116 20.054 ( -5.677 2.601 -3.299) 7.063 21.199 ( 7.736 1.399 1.506) 8.005 21.386 ( 6.656 0.597 -1.529) 6.855 22.772 ( 3.454 -5.434 5.036) 8.174 23.105 ( 5.148 -5.035 -6.220) 9.515 27.917 ( 1.412 2.200 5.029) 5.668 28.010 ( 2.179 2.115 -2.061) 3.670 29.528 ( -4.341 2.636 -1.583) 5.319 29.700 ( -0.539 2.236 -1.569) 2.784 29.889 ( -1.853 2.938 1.669) 3.854 30.025 ( -1.915 -0.861 1.324) 2.482 31.021 ( -3.010 0.111 0.293) 3.026 31.066 ( -2.776 0.775 -0.644) 2.953 31.251 ( 1.070 -3.923 -1.034) 4.196 31.471 ( 3.649 -11.532 2.097) 12.276 31.775 ( -0.251 0.299 0.838) 0.925 31.876 ( 5.040 1.548 -0.055) 5.272 32.036 ( 1.645 -1.045 2.230) 2.962 32.128 ( -1.080 1.419 -3.700) 4.108 32.482 ( -4.500 -1.340 -1.910) 5.069 32.590 ( -8.097 1.002 -0.649) 8.185 32.713 ( -1.871 1.302 4.018) 4.620 33.232 ( 5.649 2.917 -8.786) 10.845 34.406 ( -1.591 -3.365 -1.261) 3.930 34.510 ( 2.318 -8.250 -0.932) 8.620 34.708 ( 0.611 0.491 14.851) 14.871 35.268 ( 10.469 -2.447 -5.936) 12.281 36.018 ( -8.876 6.061 2.187) 10.968 36.325 ( -9.064 11.693 5.908) 15.931 36.450 ( -4.059 7.576 -7.146) 11.177 37.308 ( 11.410 5.063 -1.876) 12.623 ======================= Grid point 136 (64/95) ======================= q-point: (-0.11 -0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( -9.545 -9.871 15.421) 20.648 1.830 ( -4.231 -3.140 4.646) 7.025 2.030 ( -11.843 -5.422 0.324) 13.029 2.165 ( -5.536 -7.383 4.236) 10.154 2.423 ( -2.917 1.837 -6.941) 7.750 2.644 ( -2.676 -1.222 -3.648) 4.687 2.822 ( -0.243 6.778 5.494) 8.728 2.905 ( -6.896 -1.599 2.645) 7.557 3.104 ( 1.511 3.327 1.536) 3.964 3.203 ( -2.977 -1.402 4.096) 5.254 3.280 ( -2.287 -3.304 -8.409) 9.320 3.477 ( 3.014 -6.134 2.702) 7.349 3.652 ( 2.662 0.318 -2.426) 3.615 3.795 ( 2.021 1.060 -1.611) 2.794 3.893 ( -1.040 3.648 -4.722) 6.057 4.091 ( 4.876 -3.449 -1.235) 6.099 4.231 ( -4.228 -2.208 -0.572) 4.804 4.367 ( 2.694 -7.343 4.294) 8.923 4.376 ( 0.609 -2.418 -3.778) 4.527 4.431 ( -3.778 -2.136 -0.975) 4.449 4.530 ( 0.752 -2.409 4.907) 5.518 4.681 ( 0.470 3.589 -1.211) 3.817 4.717 ( -3.120 1.714 5.414) 6.479 4.825 ( -1.439 -3.862 -6.303) 7.531 4.839 ( -1.968 -3.185 -0.501) 3.777 4.952 ( 0.277 -3.820 -0.716) 3.896 5.187 ( -2.148 11.577 1.170) 11.833 5.306 ( 1.728 0.245 -2.132) 2.755 5.374 ( 5.660 1.204 -1.403) 5.954 5.622 ( -6.110 -1.015 -3.695) 7.212 5.799 ( 2.412 -3.182 -0.221) 3.999 5.931 ( 5.175 0.093 -0.222) 5.180 6.132 ( 5.393 2.194 -2.930) 6.518 6.428 ( 9.752 -3.949 -0.183) 10.523 7.285 ( 0.338 1.619 -4.310) 4.617 7.386 ( -0.579 -4.455 5.206) 6.877 7.569 ( 4.748 3.802 -6.066) 8.590 7.702 ( 0.004 -2.714 4.074) 4.896 7.831 ( -3.679 3.699 0.027) 5.218 8.046 ( 2.797 3.835 0.376) 4.761 8.229 ( 0.204 -4.720 11.885) 12.789 8.442 ( 4.687 -6.302 2.783) 8.333 8.690 ( -2.888 6.152 -1.178) 6.897 8.871 ( -3.085 2.059 0.899) 3.816 8.963 ( 0.545 -0.166 -2.514) 2.578 9.012 ( -3.401 2.379 -2.667) 4.933 9.241 ( 4.215 2.942 1.446) 5.340 9.340 ( 5.734 5.390 -1.152) 7.954 9.786 ( 3.252 -0.181 -1.287) 3.502 10.010 ( 6.281 -2.660 2.484) 7.259 10.211 ( -2.605 4.332 -0.529) 5.082 10.482 ( 1.793 -0.120 -2.024) 2.707 10.829 ( -2.353 -2.733 1.097) 3.769 10.923 ( -2.368 0.006 2.351) 3.337 11.304 ( -5.669 0.838 -3.198) 6.563 11.552 ( -3.715 -0.070 1.791) 4.125 11.916 ( 1.843 0.776 -2.320) 3.063 11.971 ( 2.273 0.667 1.508) 2.808 12.657 ( 1.572 3.040 -2.843) 4.449 12.776 ( 2.673 0.984 0.973) 3.010 13.111 ( 2.441 -1.231 -0.808) 2.851 13.225 ( 7.082 0.805 -3.924) 8.136 13.587 ( -0.110 -1.552 0.169) 1.565 13.726 ( -5.771 -0.431 5.341) 7.875 13.806 ( -0.986 3.635 4.821) 6.118 14.005 ( -2.610 0.429 1.539) 3.060 14.569 ( -11.809 3.840 -0.395) 12.424 14.701 ( -6.121 4.268 -0.582) 7.485 14.867 ( -2.824 2.551 4.571) 5.947 15.071 ( 3.910 -3.688 -7.034) 8.853 15.497 ( -5.212 0.246 -0.005) 5.218 15.642 ( -5.069 2.407 -1.145) 5.727 15.726 ( -1.807 5.521 -0.108) 5.810 15.776 ( -6.365 -0.568 2.804) 6.978 16.444 ( -1.746 -3.326 1.479) 4.037 16.676 ( -0.291 -2.145 -1.518) 2.644 16.746 ( 2.463 1.330 -0.699) 2.885 16.954 ( -2.303 -2.252 0.211) 3.228 17.031 ( 2.799 0.711 0.236) 2.898 17.089 ( 0.708 -0.928 -2.138) 2.435 17.141 ( 3.521 -0.726 1.988) 4.108 17.229 ( -0.459 0.459 -1.088) 1.267 19.755 ( -6.034 1.977 2.848) 6.959 19.965 ( -3.329 1.522 -3.747) 5.238 21.238 ( 5.253 1.976 2.174) 6.019 21.415 ( 3.856 1.236 -2.331) 4.672 22.905 ( 3.329 -4.029 5.068) 7.280 23.201 ( 3.909 -3.124 -5.983) 7.800 27.905 ( -0.160 1.249 3.959) 4.154 27.973 ( 1.208 3.309 -1.656) 3.893 29.474 ( -3.908 -1.242 -0.885) 4.195 29.673 ( -0.386 -0.183 -1.827) 1.877 29.818 ( -1.568 3.690 2.609) 4.784 30.008 ( -1.495 1.012 0.289) 1.829 31.011 ( -1.242 -1.339 0.176) 1.835 31.026 ( -2.585 0.772 0.273) 2.712 31.339 ( 2.076 -5.065 -0.344) 5.485 31.630 ( -2.206 -2.295 0.411) 3.210 31.783 ( 4.053 -2.141 2.953) 5.452 31.901 ( 3.408 0.832 1.442) 3.793 32.065 ( -2.240 1.415 -5.886) 6.455 32.112 ( 4.924 -1.622 2.261) 5.656 32.471 ( -2.338 -1.651 -2.365) 3.713 32.511 ( -5.257 0.016 -0.490) 5.280 32.666 ( -3.548 1.712 1.842) 4.348 33.194 ( 2.738 3.245 -8.959) 9.914 34.449 ( -3.259 -4.427 1.864) 5.805 34.641 ( 0.987 -2.915 4.270) 5.263 34.801 ( 4.355 -5.852 8.627) 11.298 35.393 ( 9.613 -1.837 -6.146) 11.557 35.821 ( -8.857 8.275 3.103) 12.512 36.071 ( -4.410 9.545 -0.428) 10.523 36.279 ( -4.738 5.392 -2.778) 7.697 37.300 ( 6.537 5.701 -0.667) 8.700 ======================= Grid point 143 (65/95) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( -14.166 0.000 10.543) 17.659 1.634 ( -17.104 0.000 32.372) 36.613 1.965 ( -5.129 0.000 -6.733) 8.464 1.988 ( -3.126 0.000 -1.653) 3.536 2.478 ( -13.725 0.000 -8.242) 16.009 2.824 ( 2.142 -0.000 0.788) 2.282 2.927 ( 2.668 -0.000 1.527) 3.074 3.091 ( 0.216 -0.000 12.931) 12.933 3.126 ( 0.042 -0.000 -6.810) 6.810 3.312 ( -3.600 0.000 -3.935) 5.334 3.402 ( -4.744 0.000 -1.246) 4.905 3.403 ( -3.247 0.000 4.366) 5.442 3.583 ( 1.268 -0.000 -17.240) 17.286 3.675 ( 4.775 -0.000 2.242) 5.275 3.754 ( 3.587 -0.000 10.485) 11.082 4.004 ( -6.211 0.000 -11.853) 13.381 4.072 ( 5.461 -0.000 2.797) 6.136 4.187 ( -11.614 0.000 -3.249) 12.060 4.247 ( -4.001 0.000 -1.810) 4.392 4.498 ( -1.873 0.000 10.564) 10.728 4.576 ( 6.590 -0.000 -6.930) 9.563 4.631 ( 6.035 -0.000 -9.466) 11.227 4.645 ( -6.228 0.000 4.285) 7.560 4.787 ( -5.311 0.000 5.570) 7.696 4.881 ( 1.958 -0.000 -7.644) 7.891 5.052 ( -11.227 0.000 -2.524) 11.507 5.332 ( -3.289 0.000 4.964) 5.955 5.416 ( 11.276 -0.000 1.854) 11.427 5.610 ( -1.568 0.000 -2.035) 2.569 5.631 ( -2.045 0.000 4.541) 4.981 5.726 ( -2.699 0.000 -5.315) 5.961 5.770 ( 3.817 -0.000 -3.029) 4.873 5.939 ( 8.800 -0.000 0.824) 8.838 6.006 ( 15.786 -0.000 -1.517) 15.858 7.188 ( 8.350 -0.000 12.959) 15.416 7.407 ( 1.293 -0.000 -10.111) 10.193 7.640 ( -0.245 0.000 3.964) 3.971 7.708 ( -1.114 0.000 10.127) 10.188 7.794 ( 1.972 -0.000 -0.255) 1.989 7.866 ( 2.553 -0.000 3.387) 4.242 8.233 ( 0.043 -0.000 1.303) 1.304 8.398 ( 0.591 -0.000 -2.565) 2.632 8.870 ( -2.952 0.000 1.084) 3.144 8.923 ( -4.284 0.000 -6.875) 8.100 8.998 ( -2.760 0.000 0.244) 2.771 9.104 ( -0.389 0.000 -4.956) 4.972 9.365 ( 3.377 -0.000 1.931) 3.890 9.480 ( 10.024 -0.000 -2.506) 10.333 9.768 ( 4.937 -0.000 -4.227) 6.499 9.820 ( 9.614 -0.000 3.814) 10.343 10.278 ( -1.055 0.000 8.662) 8.726 10.546 ( 0.217 -0.000 -8.264) 8.267 10.830 ( -6.118 0.000 1.471) 6.293 10.845 ( -1.357 0.000 3.501) 3.755 11.418 ( -10.996 0.000 -3.253) 11.467 11.593 ( -8.717 0.000 2.753) 9.142 11.908 ( 6.833 -0.000 -2.001) 7.120 11.953 ( 5.265 -0.000 1.167) 5.393 12.772 ( 4.441 -0.000 0.181) 4.445 12.919 ( 0.922 -0.000 -4.124) 4.226 12.968 ( 2.752 -0.000 0.447) 2.788 13.168 ( 7.091 -0.000 -1.671) 7.285 13.560 ( 0.870 -0.000 -5.123) 5.196 13.793 ( -4.925 0.000 1.506) 5.150 13.925 ( 2.475 -0.000 -4.836) 5.433 13.965 ( -3.239 0.000 14.657) 15.011 14.818 ( -7.311 0.000 -5.201) 8.972 14.836 ( 0.674 -0.000 -0.162) 0.693 15.006 ( -4.837 0.000 -2.278) 5.347 15.013 ( -8.913 0.000 3.695) 9.649 15.755 ( -11.402 0.000 -0.905) 11.438 15.766 ( -14.112 0.000 6.812) 15.670 15.866 ( -10.320 0.000 4.206) 11.144 15.995 ( 7.421 -0.000 -4.873) 8.878 16.303 ( 4.040 -0.000 -0.495) 4.070 16.549 ( 2.823 -0.000 -5.065) 5.798 16.812 ( -0.661 0.000 3.002) 3.074 16.865 ( -0.448 0.000 -0.360) 0.575 16.891 ( 4.597 -0.000 -2.078) 5.045 17.098 ( 0.743 -0.000 1.647) 1.807 17.107 ( 2.242 -0.000 0.579) 2.315 17.254 ( 2.761 -0.000 -0.549) 2.815 20.049 ( -8.861 0.000 -3.632) 9.576 20.103 ( -11.546 0.000 5.495) 12.787 21.233 ( 10.266 -0.000 0.568) 10.282 21.396 ( 7.490 -0.000 -0.337) 7.497 22.663 ( 3.749 -0.000 3.644) 5.228 22.990 ( 6.621 -0.000 -6.141) 9.030 28.000 ( 5.593 -0.000 11.853) 13.106 28.017 ( 1.948 -0.000 -6.631) 6.911 29.656 ( -3.135 0.000 -5.447) 6.284 29.819 ( 1.179 -0.000 0.331) 1.224 29.874 ( -1.949 0.000 1.205) 2.291 29.965 ( -3.178 0.000 3.833) 4.979 31.045 ( -2.047 0.000 -1.216) 2.381 31.103 ( 0.105 -0.000 -1.527) 1.531 31.162 ( -4.884 0.000 3.635) 6.088 31.178 ( 0.434 -0.000 -2.359) 2.399 31.769 ( 3.558 -0.000 3.049) 4.686 31.901 ( 8.248 -0.000 -4.042) 9.185 32.053 ( -2.355 0.000 2.520) 3.449 32.152 ( -1.021 0.000 -1.958) 2.208 32.448 ( -6.860 0.000 -2.140) 7.186 32.604 ( -10.001 0.000 -0.661) 10.022 32.728 ( -1.455 0.000 6.430) 6.593 33.283 ( 5.633 -0.000 -11.130) 12.474 34.340 ( 1.921 -0.000 0.718) 2.050 34.370 ( -0.066 0.000 -4.719) 4.720 34.722 ( 0.534 -0.000 16.952) 16.961 35.214 ( 8.076 -0.000 -5.909) 10.006 36.120 ( -9.738 0.000 0.158) 9.739 36.475 ( -14.865 0.000 7.778) 16.777 36.721 ( 7.973 -0.000 -5.145) 9.489 37.386 ( 10.130 -0.000 -3.725) 10.793 ======================= Grid point 144 (66/95) ======================= q-point: (-0.22 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -12.106 -16.049 9.337) 22.166 1.586 ( -19.022 -4.461 33.568) 38.840 1.914 ( -1.940 -3.814 -6.275) 7.595 2.022 ( -13.920 -6.039 -2.019) 15.307 2.257 ( -18.404 0.274 -4.309) 18.904 2.740 ( 0.271 8.454 -1.013) 8.519 3.011 ( 3.569 -2.100 2.804) 5.001 3.061 ( -4.031 2.234 3.316) 5.678 3.170 ( -1.550 -2.864 6.342) 7.130 3.207 ( -7.765 5.797 -3.386) 10.265 3.333 ( -3.422 2.266 -2.750) 4.940 3.378 ( 0.531 1.976 1.505) 2.540 3.548 ( 5.763 -0.858 -11.426) 12.826 3.742 ( 3.368 -2.459 1.929) 4.594 3.880 ( 3.464 -5.784 3.859) 7.768 3.925 ( -9.244 -4.337 -13.401) 16.847 4.139 ( -2.057 -3.817 -0.084) 4.337 4.147 ( -0.998 -3.394 0.267) 3.547 4.245 ( -0.738 -2.743 -2.096) 3.531 4.471 ( -1.165 4.274 4.538) 6.342 4.507 ( -5.594 2.172 1.117) 6.104 4.623 ( -3.544 -2.400 1.668) 4.594 4.724 ( 4.481 -0.256 -0.650) 4.535 4.754 ( 1.357 -0.239 -3.599) 3.854 4.923 ( -2.388 -1.029 -1.689) 3.100 4.930 ( 0.814 0.388 -8.207) 8.256 5.224 ( -5.338 6.465 6.062) 10.346 5.474 ( -7.188 1.531 -3.125) 7.986 5.530 ( 11.512 2.526 -2.909) 12.140 5.619 ( -3.968 2.711 1.432) 5.015 5.755 ( 4.381 1.369 0.309) 4.601 5.880 ( 8.800 -7.314 -2.944) 11.815 6.029 ( 8.004 -3.824 -0.945) 8.921 6.243 ( 15.016 -6.739 -0.632) 16.471 7.303 ( 5.918 -0.334 8.754) 10.572 7.383 ( 0.584 1.160 -8.327) 8.428 7.609 ( 0.159 1.222 5.166) 5.311 7.739 ( 3.365 4.332 -2.846) 6.180 7.803 ( -1.612 -3.507 12.019) 12.624 7.975 ( 1.366 -5.379 8.862) 10.456 8.259 ( 3.542 -1.004 2.213) 4.295 8.362 ( 2.237 3.904 -2.175) 4.997 8.839 ( -3.692 1.785 -3.553) 5.426 8.870 ( -3.923 -2.741 -2.525) 5.411 8.959 ( -1.559 2.382 -0.300) 2.863 9.077 ( -1.521 0.769 -4.171) 4.505 9.378 ( 5.180 3.821 2.569) 6.931 9.535 ( 8.988 3.729 -2.788) 10.122 9.800 ( 5.404 0.739 -3.454) 6.456 9.937 ( 9.417 -1.487 3.992) 10.336 10.286 ( -1.867 0.131 6.060) 6.342 10.505 ( -0.706 1.210 -6.598) 6.745 10.782 ( -3.774 0.012 1.229) 3.969 10.867 ( -1.943 -2.534 2.723) 4.197 11.306 ( -10.788 -0.325 -3.142) 11.241 11.526 ( -8.547 -0.996 2.674) 9.011 11.955 ( 5.486 1.044 -2.163) 5.989 12.001 ( 5.695 0.843 1.013) 5.845 12.796 ( 5.066 3.164 -2.995) 6.681 12.859 ( 1.331 4.084 -0.563) 4.332 13.039 ( 2.963 -3.174 -1.005) 4.457 13.236 ( 6.640 -0.374 -0.738) 6.691 13.552 ( 0.851 -0.025 -4.309) 4.393 13.735 ( -7.415 0.551 4.385) 8.632 13.927 ( 3.555 2.426 1.203) 4.469 13.990 ( -1.283 -0.754 5.430) 5.630 14.690 ( -13.039 2.201 -2.789) 13.514 14.798 ( -7.672 1.173 -0.088) 7.762 14.950 ( -3.922 1.325 4.090) 5.819 14.979 ( 0.334 -0.964 -3.519) 3.663 15.580 ( -14.757 3.667 3.956) 15.712 15.675 ( -12.716 -1.592 0.066) 12.815 15.764 ( -11.122 0.848 4.235) 11.931 15.969 ( 3.631 7.835 -6.008) 10.520 16.367 ( 5.105 -1.299 -0.719) 5.316 16.586 ( 2.762 -2.544 -5.317) 6.509 16.801 ( 0.492 1.627 2.217) 2.793 16.876 ( -1.465 -1.980 1.244) 2.760 16.956 ( 3.579 -3.297 -1.976) 5.252 17.086 ( -0.296 1.404 -0.050) 1.436 17.142 ( 2.338 -1.256 0.317) 2.673 17.268 ( 2.944 2.466 1.879) 4.275 19.895 ( -11.154 5.732 2.123) 12.719 20.005 ( -8.702 0.489 -0.693) 8.744 21.317 ( 9.618 1.832 0.924) 9.835 21.459 ( 6.510 0.561 -0.976) 6.607 22.752 ( 6.075 -3.661 3.766) 8.030 23.069 ( 6.616 -3.567 -6.637) 10.028 27.995 ( 2.868 2.733 -2.345) 4.604 28.082 ( 5.391 2.460 9.723) 11.386 29.545 ( -5.475 5.610 -4.355) 8.967 29.739 ( -2.575 4.375 0.098) 5.077 29.892 ( -3.523 -0.770 1.965) 4.106 29.982 ( -0.339 -2.057 1.159) 2.385 31.000 ( -3.262 1.278 0.174) 3.507 31.058 ( -1.449 1.568 -2.408) 3.218 31.202 ( 1.104 -2.987 -1.649) 3.587 31.301 ( 2.604 -13.446 3.049) 14.031 31.801 ( 1.971 1.402 2.717) 3.637 31.949 ( 4.812 1.546 -2.451) 5.618 32.037 ( 0.936 -0.663 0.592) 1.291 32.136 ( -0.466 0.450 -1.841) 1.952 32.401 ( -5.038 -1.673 -1.370) 5.483 32.508 ( -9.652 -0.226 -0.519) 9.668 32.715 ( -4.255 0.777 5.175) 6.744 33.269 ( 1.891 1.012 -16.033) 16.176 34.352 ( -0.900 -0.988 -2.240) 2.609 34.418 ( 2.718 -5.374 -0.920) 6.093 34.789 ( 3.675 1.171 20.021) 20.389 35.299 ( 8.811 -2.648 -5.309) 10.622 36.007 ( -8.971 3.035 0.679) 9.495 36.334 ( -14.270 2.533 6.504) 15.886 36.643 ( 3.762 13.919 -5.054) 15.279 37.466 ( 10.668 1.786 -2.265) 11.051 ======================= Grid point 145 (67/95) ======================= q-point: (-0.11 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -12.487 -19.086 12.380) 25.952 1.685 ( -7.081 -14.041 22.567) 27.506 1.765 ( -30.396 0.895 -1.302) 30.437 1.997 ( -2.616 -7.087 0.012) 7.554 2.297 ( -5.664 -12.203 -3.385) 13.873 2.602 ( -1.461 4.358 -3.502) 5.779 2.888 ( -8.039 10.386 -3.749) 13.658 3.000 ( -5.537 1.806 6.592) 8.796 3.110 ( 0.446 0.800 1.722) 1.951 3.195 ( -0.905 2.357 4.375) 5.052 3.235 ( -1.602 2.305 -4.456) 5.267 3.437 ( 4.373 -4.480 1.270) 6.388 3.627 ( 4.139 -4.172 -5.339) 7.940 3.807 ( -0.497 -0.439 -2.287) 2.381 3.871 ( -3.499 -2.590 -6.846) 8.112 4.014 ( -0.732 -7.531 0.369) 7.575 4.132 ( -6.561 -1.754 -0.610) 6.819 4.251 ( 0.760 -6.161 1.424) 6.369 4.298 ( -1.933 -5.911 -2.940) 6.879 4.403 ( 1.063 1.865 -2.406) 3.224 4.491 ( -2.460 -1.860 4.730) 5.646 4.651 ( -8.738 1.447 3.681) 9.592 4.678 ( -0.449 -4.993 2.693) 5.691 4.806 ( 5.714 1.955 -6.930) 9.192 4.859 ( 1.234 0.453 -1.456) 1.962 4.975 ( 5.370 2.174 -1.801) 6.067 5.181 ( -2.760 -5.793 -0.148) 6.418 5.345 ( -6.016 6.377 -1.544) 8.902 5.529 ( -4.488 1.103 -3.072) 5.549 5.584 ( 13.878 4.906 -1.553) 14.801 5.790 ( 4.503 0.168 2.005) 4.932 6.025 ( 10.340 0.391 -1.414) 10.443 6.170 ( 6.725 -3.246 -5.984) 9.569 6.455 ( 9.674 -4.022 -0.399) 10.485 7.310 ( 0.108 2.541 -6.063) 6.575 7.375 ( 1.950 0.192 6.701) 6.982 7.606 ( -0.149 0.425 -5.961) 5.978 7.730 ( 3.937 0.897 2.509) 4.754 7.830 ( -2.897 1.066 6.977) 7.629 8.093 ( 2.747 -1.963 11.231) 11.727 8.287 ( 3.776 3.863 6.140) 8.178 8.400 ( 5.221 -5.092 2.318) 7.652 8.745 ( -2.499 4.471 -3.104) 5.989 8.857 ( -6.549 0.416 2.235) 6.933 8.936 ( 1.820 -1.684 -4.202) 4.879 9.014 ( -3.614 2.745 -2.813) 5.339 9.360 ( 4.807 5.110 2.466) 7.437 9.515 ( 8.096 6.775 -2.391) 10.824 9.831 ( 5.711 0.708 -2.153) 6.144 10.054 ( 7.437 -1.352 2.896) 8.095 10.256 ( -1.807 2.967 1.128) 3.653 10.480 ( -0.246 -0.576 -3.026) 3.090 10.770 ( -1.347 -1.544 -0.333) 2.076 10.895 ( -2.027 -1.838 3.159) 4.179 11.215 ( -9.211 -1.430 -3.069) 9.814 11.481 ( -8.132 -2.064 2.299) 8.699 11.965 ( 4.322 2.364 -1.650) 5.195 12.031 ( 4.728 2.044 0.569) 5.182 12.737 ( 3.016 4.907 -3.322) 6.649 12.851 ( 5.189 2.481 0.384) 5.765 13.103 ( 1.933 -1.932 -0.827) 2.855 13.289 ( 4.959 0.636 -1.062) 5.111 13.559 ( 0.142 -1.051 -1.713) 2.015 13.679 ( -5.697 -0.341 4.662) 7.369 13.896 ( 0.528 5.458 6.476) 8.486 13.986 ( -1.929 -0.132 -0.727) 2.066 14.513 ( -11.649 2.980 -0.687) 12.043 14.680 ( -9.135 1.683 0.243) 9.292 14.908 ( -0.594 2.632 3.694) 4.574 15.020 ( 1.537 -3.653 -3.784) 5.479 15.422 ( -11.259 0.393 1.491) 11.364 15.580 ( -10.268 -0.561 -1.548) 10.399 15.673 ( -11.143 -1.599 3.083) 11.671 15.791 ( -7.171 8.360 -3.389) 11.524 16.419 ( 3.030 -0.533 0.431) 3.107 16.637 ( 2.232 -2.219 -3.858) 4.979 16.790 ( 1.298 1.116 1.088) 2.028 16.896 ( -2.201 -2.058 0.723) 3.099 17.039 ( 1.208 -3.775 -1.242) 4.153 17.058 ( -0.998 0.731 -1.389) 1.860 17.186 ( 3.462 -0.083 0.283) 3.474 17.241 ( 0.055 2.423 2.975) 3.837 19.732 ( -7.823 2.545 2.846) 8.705 19.924 ( -5.660 0.172 -3.235) 6.521 21.353 ( 6.636 3.573 1.899) 7.773 21.482 ( 4.405 2.411 -2.270) 5.511 22.897 ( 6.587 -3.986 4.158) 8.750 23.172 ( 5.633 -3.549 -6.487) 9.296 27.963 ( 1.670 3.501 1.012) 4.008 28.056 ( 0.853 6.118 5.190) 8.068 29.415 ( -6.139 0.436 -1.441) 6.320 29.670 ( -1.503 1.303 -0.929) 2.196 29.847 ( -4.033 1.815 2.394) 5.029 29.997 ( -0.894 -0.100 -0.477) 1.018 30.971 ( -3.098 -1.283 1.905) 3.856 31.019 ( -0.745 0.975 -2.789) 3.047 31.283 ( 2.970 -4.771 -1.191) 5.745 31.559 ( 3.354 -7.553 2.903) 8.760 31.792 ( 2.537 -0.838 1.858) 3.254 31.957 ( 3.133 1.225 1.315) 3.611 32.064 ( 0.692 1.213 -5.105) 5.293 32.147 ( 5.620 -1.532 0.288) 5.832 32.391 ( -4.584 -2.792 -1.617) 5.606 32.443 ( -5.745 -1.544 -0.061) 5.949 32.649 ( -7.143 1.629 2.307) 7.681 33.203 ( -2.030 0.939 -16.928) 17.076 34.366 ( -1.808 -2.805 0.220) 3.345 34.564 ( 3.818 -8.107 -1.029) 9.020 34.854 ( 4.017 2.350 19.044) 19.605 35.418 ( 6.733 -2.686 -2.858) 7.792 35.853 ( -9.107 5.765 2.220) 11.005 36.168 ( -11.204 4.810 6.975) 14.046 36.400 ( 5.038 13.886 -8.088) 16.841 37.469 ( 5.749 7.505 -1.031) 9.510 ======================= Grid point 153 (68/95) ======================= q-point: (-0.22 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( -15.988 0.000 15.011) 21.931 1.432 ( -25.954 0.000 39.634) 47.375 1.758 ( -17.836 0.000 -8.335) 19.688 1.930 ( -2.320 0.000 1.555) 2.792 2.019 ( -21.668 0.000 -3.403) 21.933 2.812 ( -7.030 0.000 -2.753) 7.550 2.993 ( 1.784 -0.000 4.554) 4.891 3.015 ( -10.009 0.000 0.154) 10.011 3.165 ( -2.653 0.000 7.629) 8.077 3.220 ( 0.013 -0.000 -0.780) 0.780 3.303 ( -2.614 0.000 -1.006) 2.801 3.412 ( -0.093 0.000 5.386) 5.387 3.568 ( 7.625 -0.000 -20.256) 21.644 3.711 ( -3.838 0.000 -10.986) 11.637 3.776 ( -1.220 0.000 -3.647) 3.846 3.859 ( 0.155 -0.000 3.685) 3.688 4.087 ( 0.524 -0.000 -1.585) 1.669 4.151 ( 1.729 -0.000 0.766) 1.890 4.220 ( 1.578 -0.000 -1.301) 2.046 4.441 ( -8.452 0.000 -4.422) 9.539 4.533 ( 0.837 -0.000 7.797) 7.842 4.583 ( -5.166 0.000 10.162) 11.400 4.741 ( -1.152 0.000 -0.215) 1.172 4.783 ( 5.814 -0.000 -11.549) 12.930 4.857 ( -4.055 0.000 0.382) 4.073 4.928 ( 6.750 -0.000 -12.628) 14.319 5.279 ( -4.121 0.000 3.904) 5.677 5.510 ( -6.881 0.000 -6.863) 9.718 5.531 ( -4.082 0.000 -8.846) 9.743 5.605 ( -0.854 0.000 7.750) 7.797 5.765 ( 12.084 -0.000 0.645) 12.101 5.857 ( 7.648 -0.000 -2.184) 7.954 6.143 ( 10.282 -0.000 3.181) 10.762 6.323 ( 16.390 -0.000 -1.585) 16.466 7.356 ( 0.075 -0.000 -10.332) 10.332 7.402 ( 6.176 -0.000 9.571) 11.391 7.635 ( -3.463 0.000 4.282) 5.507 7.732 ( -0.348 0.000 0.418) 0.544 7.913 ( 5.624 -0.000 24.772) 25.403 7.945 ( 4.009 -0.000 4.595) 6.098 8.295 ( 5.552 -0.000 2.466) 6.075 8.416 ( 2.873 -0.000 -3.684) 4.672 8.771 ( -7.064 0.000 -0.725) 7.101 8.821 ( -2.711 0.000 -3.744) 4.623 8.972 ( -0.172 0.000 -1.146) 1.159 9.058 ( -1.975 0.000 -2.137) 2.910 9.474 ( 5.876 -0.000 2.513) 6.391 9.641 ( 8.189 -0.000 -3.315) 8.835 9.859 ( 6.743 -0.000 -3.100) 7.422 10.018 ( 8.321 -0.000 2.774) 8.771 10.277 ( -3.185 0.000 6.078) 6.862 10.475 ( -2.862 0.000 -6.201) 6.830 10.765 ( -0.684 0.000 -0.072) 0.688 10.835 ( -1.776 0.000 2.736) 3.262 11.189 ( -11.114 0.000 -2.334) 11.356 11.435 ( -9.803 0.000 2.250) 10.058 12.019 ( 6.451 -0.000 -1.761) 6.687 12.069 ( 6.564 -0.000 0.409) 6.576 12.877 ( 6.539 -0.000 -2.258) 6.918 12.903 ( 0.592 -0.000 -5.101) 5.136 13.032 ( 3.253 -0.000 2.398) 4.041 13.288 ( 5.014 -0.000 2.038) 5.412 13.550 ( 1.457 -0.000 -5.606) 5.793 13.683 ( -7.064 0.000 4.345) 8.293 13.959 ( 3.208 -0.000 -8.529) 9.113 14.026 ( 1.000 -0.000 13.882) 13.918 14.580 ( -12.064 0.000 -2.784) 12.381 14.702 ( -13.643 0.000 1.738) 13.753 14.957 ( -1.205 0.000 -2.183) 2.494 14.960 ( -0.158 0.000 3.706) 3.709 15.462 ( -20.043 0.000 8.216) 21.662 15.535 ( -9.491 0.000 -4.231) 10.391 15.673 ( -12.291 0.000 4.166) 12.978 16.065 ( 3.549 -0.000 -15.749) 16.144 16.423 ( 8.104 -0.000 -2.039) 8.357 16.576 ( 3.077 -0.000 -3.638) 4.765 16.833 ( 0.619 -0.000 3.989) 4.037 16.838 ( -2.382 0.000 -0.400) 2.415 16.946 ( 1.791 -0.000 -1.948) 2.646 17.100 ( -2.054 0.000 -2.292) 3.077 17.132 ( 2.676 -0.000 0.407) 2.707 17.370 ( 8.175 -0.000 4.822) 9.491 19.871 ( -7.546 0.000 -3.063) 8.144 19.905 ( -11.895 0.000 5.124) 12.951 21.428 ( 9.067 -0.000 0.503) 9.081 21.514 ( 5.130 -0.000 -0.906) 5.209 22.794 ( 7.608 -0.000 3.016) 8.184 23.082 ( 6.871 -0.000 -6.980) 9.794 28.028 ( 3.504 -0.000 -7.382) 8.171 28.250 ( 12.014 -0.000 20.909) 24.114 29.538 ( -5.901 0.000 -8.925) 10.700 29.752 ( -8.945 0.000 5.086) 10.290 29.849 ( -0.922 0.000 -0.058) 0.924 29.974 ( 2.362 -0.000 -0.162) 2.367 31.010 ( 0.125 -0.000 -3.643) 3.645 31.105 ( -3.470 0.000 5.661) 6.640 31.106 ( 0.816 -0.000 -1.408) 1.627 31.174 ( 0.524 -0.000 -2.227) 2.288 31.861 ( 3.533 -0.000 4.246) 5.524 31.974 ( -2.374 0.000 -0.531) 2.433 32.047 ( 5.095 -0.000 -3.549) 6.209 32.121 ( -1.260 0.000 -1.871) 2.255 32.345 ( -3.218 0.000 -0.372) 3.240 32.412 ( -8.882 0.000 -0.360) 8.889 32.688 ( -6.641 0.000 5.964) 8.926 33.196 ( -5.910 0.000 -26.892) 27.534 34.335 ( -0.699 0.000 -2.944) 3.025 34.391 ( 2.925 -0.000 0.203) 2.932 34.938 ( 10.191 -0.000 27.424) 29.256 35.329 ( 6.553 -0.000 -5.170) 8.347 35.963 ( -6.148 0.000 0.365) 6.159 36.227 ( -14.193 0.000 2.008) 14.335 36.821 ( 3.998 -0.000 1.736) 4.358 37.566 ( 10.300 -0.000 -1.974) 10.487 ======================= Grid point 154 (69/95) ======================= q-point: (-0.11 -0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -15.231 -18.399 14.198) 27.787 1.333 ( -33.448 -7.148 15.140) 37.404 1.541 ( -24.375 -4.901 25.646) 35.719 1.887 ( -1.234 -3.059 -4.120) 5.278 2.024 ( -5.498 -9.947 -3.343) 11.847 2.641 ( -10.880 5.436 -5.083) 13.182 2.884 ( -12.087 0.609 1.366) 12.179 2.982 ( -5.358 7.125 -3.133) 9.449 3.142 ( -1.618 -3.426 6.441) 7.473 3.206 ( 1.599 2.614 6.952) 7.598 3.320 ( 2.805 2.005 -0.567) 3.495 3.416 ( 1.209 -0.934 3.834) 4.127 3.596 ( 5.932 -1.975 -11.838) 13.388 3.713 ( -2.466 -5.793 -13.868) 15.230 3.782 ( 0.711 -1.211 -0.728) 1.581 3.894 ( -3.015 -4.866 -0.700) 5.768 4.099 ( -0.246 1.031 0.325) 1.109 4.156 ( -3.402 -1.913 -4.925) 6.284 4.227 ( 2.650 -1.875 -1.021) 3.403 4.413 ( -1.456 -1.392 -2.174) 2.964 4.520 ( 1.429 4.201 0.943) 4.536 4.568 ( -5.206 -1.894 7.971) 9.707 4.667 ( -2.110 2.949 -0.734) 3.699 4.822 ( -1.780 -3.565 -0.431) 4.008 4.870 ( 4.842 -1.361 -5.761) 7.648 4.981 ( 2.889 -3.301 -10.668) 11.535 5.168 ( -2.774 6.764 6.505) 9.786 5.326 ( -5.926 1.974 -1.231) 6.367 5.473 ( -4.473 -0.589 -4.221) 6.178 5.802 ( 10.897 0.020 -0.507) 10.909 5.896 ( 10.084 1.778 0.871) 10.277 5.954 ( 5.528 -11.938 -10.189) 16.640 6.231 ( 9.667 0.892 3.203) 10.223 6.484 ( 10.074 -2.732 -1.854) 10.602 7.323 ( 0.385 0.942 -7.413) 7.483 7.448 ( 2.559 2.743 6.944) 7.893 7.590 ( -3.285 0.835 -0.426) 3.416 7.734 ( -0.788 -0.265 -2.014) 2.178 7.931 ( 4.641 5.103 13.172) 14.869 8.146 ( 9.508 -3.210 22.617) 24.743 8.390 ( 7.104 -2.336 6.421) 9.857 8.400 ( 2.642 2.462 -2.802) 4.571 8.757 ( -5.492 -4.393 0.650) 7.063 8.778 ( -1.354 1.511 -3.066) 3.677 8.946 ( 0.398 2.047 -1.355) 2.487 9.017 ( -3.108 1.940 -0.612) 3.715 9.496 ( 5.067 4.333 2.110) 6.993 9.669 ( 6.552 3.703 -3.595) 8.341 9.901 ( 6.775 1.299 -2.033) 7.192 10.105 ( 5.869 -1.152 1.297) 6.120 10.268 ( -2.313 -0.114 3.978) 4.604 10.441 ( -1.793 -0.942 -4.259) 4.716 10.763 ( 1.866 0.383 -1.490) 2.419 10.849 ( -1.545 -2.373 2.795) 3.979 11.088 ( -10.587 -1.101 -1.965) 10.824 11.361 ( -10.415 -1.947 1.598) 10.715 12.057 ( 6.514 2.263 -0.849) 6.948 12.119 ( 6.335 1.810 0.087) 6.589 12.842 ( 3.154 4.726 -4.066) 6.987 12.933 ( 5.092 0.967 -1.762) 5.474 13.089 ( 2.380 -1.690 2.703) 3.978 13.335 ( 3.246 0.314 2.227) 3.949 13.551 ( 1.751 -0.145 -4.073) 4.436 13.634 ( -5.433 -0.205 3.825) 6.647 13.957 ( -0.002 -0.470 -6.602) 6.618 14.034 ( 1.590 5.789 11.542) 13.010 14.446 ( -10.866 2.418 -1.129) 11.189 14.589 ( -10.522 -1.379 1.345) 10.697 14.941 ( -1.339 -0.387 -1.448) 2.010 14.963 ( -3.309 -0.663 4.097) 5.308 15.312 ( -13.975 -0.084 4.569) 14.703 15.456 ( -7.614 -1.333 -5.103) 9.262 15.561 ( -12.399 0.519 2.844) 12.732 15.852 ( -13.342 13.282 -16.503) 25.035 16.478 ( 6.567 1.559 -1.259) 6.866 16.621 ( 3.563 -1.898 -2.735) 4.876 16.801 ( -2.631 0.483 0.165) 2.680 16.865 ( 0.798 -1.107 2.595) 2.932 16.974 ( -0.658 -2.956 -2.012) 3.635 17.055 ( -2.159 1.109 -1.873) 3.066 17.189 ( 3.291 -2.213 -0.201) 3.971 17.366 ( 3.160 9.018 6.389) 11.495 19.719 ( -8.311 4.391 2.669) 9.771 19.851 ( -6.274 -1.320 -2.173) 6.769 21.472 ( 5.427 3.055 1.060) 6.318 21.549 ( 3.864 1.245 -2.048) 4.547 22.919 ( 8.990 -3.776 2.842) 10.157 23.154 ( 6.312 -2.958 -6.628) 9.619 28.029 ( 3.973 1.815 -5.943) 7.375 28.290 ( 5.322 15.932 19.815) 25.977 29.366 ( -10.081 3.772 -5.296) 11.996 29.665 ( -5.884 1.031 2.658) 6.538 29.830 ( -2.761 0.709 1.606) 3.272 30.000 ( 1.469 0.287 -1.816) 2.354 30.937 ( -4.429 1.607 2.980) 5.574 31.032 ( 1.147 1.890 -5.305) 5.748 31.221 ( 2.103 -4.800 -2.133) 5.658 31.428 ( 9.502 -18.465 2.736) 20.946 31.830 ( -0.139 3.503 2.307) 4.197 31.990 ( 2.111 -1.521 1.426) 2.967 32.081 ( 1.031 1.163 -4.473) 4.736 32.137 ( 3.708 -4.639 -3.037) 6.670 32.316 ( -3.884 -0.091 0.002) 3.885 32.363 ( -4.283 -2.066 0.357) 4.769 32.605 ( -9.895 2.300 2.681) 10.507 33.045 ( -13.144 -4.582 -30.041) 33.109 34.327 ( -0.414 -0.679 -0.237) 0.830 34.472 ( 3.102 -5.926 -1.275) 6.810 35.073 ( 11.890 7.757 26.244) 29.838 35.419 ( 5.914 -3.927 0.606) 7.125 35.871 ( -6.499 5.144 0.703) 8.318 36.098 ( -12.693 0.254 0.863) 12.725 36.706 ( 5.279 15.523 5.550) 17.309 37.632 ( 7.191 4.394 -1.114) 8.501 ======================= Grid point 163 (70/95) ======================= q-point: (-0.11 -0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( -18.308 0.000 22.554) 29.049 0.943 ( -41.527 0.000 7.831) 42.259 1.341 ( -25.738 0.000 50.330) 56.529 1.816 ( -0.990 0.000 -14.882) 14.914 1.910 ( -3.779 0.000 -1.440) 4.044 2.536 ( -12.642 0.000 -2.031) 12.804 2.783 ( -10.653 0.000 -3.486) 11.209 3.021 ( -1.756 0.000 2.435) 3.002 3.099 ( -4.563 0.000 3.749) 5.906 3.293 ( 3.119 -0.000 4.574) 5.537 3.310 ( -0.013 0.000 6.117) 6.117 3.450 ( -0.485 0.000 10.387) 10.399 3.596 ( 4.412 -0.000 -12.610) 13.360 3.633 ( 6.679 -0.000 -21.213) 22.240 3.790 ( -6.257 0.000 -1.549) 6.446 3.800 ( 3.345 -0.000 -1.985) 3.889 4.100 ( -3.752 0.000 -1.038) 3.893 4.132 ( 5.002 -0.000 -4.076) 6.452 4.233 ( -5.041 0.000 -11.563) 12.614 4.345 ( 0.476 -0.000 -1.412) 1.490 4.535 ( -3.100 0.000 6.182) 6.916 4.623 ( 3.303 -0.000 -4.991) 5.985 4.689 ( -5.531 0.000 -3.442) 6.515 4.721 ( 0.011 -0.000 6.857) 6.857 4.856 ( 3.894 -0.000 -9.842) 10.584 4.947 ( -1.538 0.000 -8.929) 9.061 5.227 ( -6.262 0.000 6.179) 8.798 5.314 ( -7.661 0.000 1.164) 7.749 5.428 ( -0.342 0.000 -3.919) 3.934 5.615 ( 0.262 -0.000 -0.176) 0.316 6.015 ( 8.137 -0.000 0.712) 8.169 6.024 ( 12.373 -0.000 0.059) 12.373 6.316 ( 4.408 -0.000 4.930) 6.614 6.548 ( 8.117 -0.000 -3.127) 8.699 7.318 ( 1.823 -0.000 -5.878) 6.155 7.517 ( 1.130 -0.000 5.398) 5.515 7.556 ( -5.333 0.000 1.363) 5.504 7.730 ( 1.426 -0.000 -2.821) 3.161 8.067 ( 4.176 -0.000 5.763) 7.117 8.372 ( 19.050 -0.000 18.222) 26.362 8.448 ( 7.319 -0.000 5.542) 9.181 8.459 ( 12.166 -0.000 14.428) 18.873 8.632 ( -6.946 0.000 2.290) 7.313 8.777 ( -0.955 0.000 -1.636) 1.894 8.982 ( 2.111 -0.000 1.329) 2.494 9.009 ( -3.022 0.000 2.197) 3.736 9.587 ( 4.052 -0.000 1.744) 4.411 9.735 ( 4.156 -0.000 -4.497) 6.123 9.974 ( 6.279 -0.000 -1.595) 6.478 10.138 ( 3.493 -0.000 -0.787) 3.580 10.250 ( -2.587 0.000 4.742) 5.402 10.411 ( -0.292 0.000 -3.821) 3.832 10.792 ( 4.193 -0.000 -2.618) 4.943 10.824 ( 0.085 -0.000 2.814) 2.815 10.973 ( -11.109 0.000 -1.272) 11.182 11.244 ( -11.131 0.000 0.693) 11.152 12.136 ( 6.178 -0.000 -0.084) 6.178 12.201 ( 6.627 -0.000 0.592) 6.654 12.902 ( 2.431 -0.000 -2.441) 3.445 12.973 ( 5.284 -0.000 -4.809) 7.144 13.119 ( 2.995 -0.000 6.400) 7.066 13.379 ( 3.433 -0.000 2.739) 4.392 13.559 ( 2.780 -0.000 -3.692) 4.621 13.595 ( -4.516 0.000 3.722) 5.852 13.927 ( -0.691 0.000 -6.662) 6.698 14.162 ( 6.056 -0.000 10.397) 12.032 14.400 ( -5.845 0.000 -1.668) 6.078 14.455 ( -11.892 0.000 2.116) 12.079 14.874 ( -7.181 0.000 0.406) 7.193 14.930 ( -8.518 0.000 -0.269) 8.522 15.217 ( -7.282 0.000 3.413) 8.042 15.383 ( -2.152 0.000 -6.134) 6.501 15.466 ( -11.315 0.000 3.109) 11.734 15.749 ( -27.485 0.000 -38.920) 47.646 16.553 ( 6.522 -0.000 -2.375) 6.941 16.637 ( 4.168 -0.000 -0.060) 4.169 16.771 ( -3.687 0.000 -0.910) 3.798 16.870 ( -0.615 0.000 5.717) 5.750 16.937 ( -0.020 0.000 -3.414) 3.414 17.041 ( -1.996 0.000 -1.772) 2.669 17.200 ( 3.466 -0.000 1.327) 3.712 17.566 ( 8.170 -0.000 -3.371) 8.838 19.728 ( -8.803 0.000 2.430) 9.132 19.743 ( -4.062 0.000 -1.997) 4.526 21.549 ( 2.764 -0.000 -1.118) 2.981 21.581 ( 2.799 -0.000 -1.595) 3.222 22.957 ( 6.839 -0.000 3.033) 7.481 23.171 ( 6.440 -0.000 -4.593) 7.910 28.070 ( 5.462 -0.000 -6.072) 8.167 28.723 ( 20.524 -0.000 11.991) 23.770 29.275 ( -13.410 0.000 -8.745) 16.009 29.596 ( -9.980 0.000 5.788) 11.536 29.847 ( 0.382 -0.000 1.621) 1.665 30.013 ( 2.050 -0.000 -2.023) 2.880 31.008 ( 1.674 -0.000 -2.941) 3.384 31.093 ( -2.441 0.000 1.866) 3.073 31.115 ( 1.285 -0.000 -2.242) 2.584 31.177 ( 1.077 -0.000 -1.586) 1.917 31.905 ( -3.511 0.000 1.050) 3.665 31.930 ( 0.557 -0.000 3.870) 3.910 32.078 ( -1.314 0.000 -1.829) 2.252 32.116 ( 4.199 -0.000 -6.405) 7.659 32.305 ( -2.301 0.000 0.947) 2.488 32.308 ( -1.122 0.000 0.475) 1.218 32.558 ( -9.455 0.000 3.602) 10.118 32.650 ( -31.702 0.000 -30.200) 43.784 34.326 ( 0.630 -0.000 -0.044) 0.631 34.438 ( 1.842 -0.000 -1.043) 2.117 35.391 ( 2.797 -0.000 -1.778) 3.314 35.469 ( 26.303 -0.000 25.538) 36.661 35.905 ( -0.650 0.000 -0.112) 0.659 35.955 ( -13.620 0.000 -6.777) 15.213 37.011 ( 16.271 -0.000 27.511) 31.963 37.730 ( 6.993 -0.000 -0.453) 7.008 ======================= Grid point 164 (71/95) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -11.508 0.000 -24.152) 26.754 1.162 ( 11.508 -0.000 24.152) 26.754 1.223 ( 4.941 -0.000 -26.240) 26.701 1.223 ( -4.941 0.000 26.240) 26.701 2.292 ( 7.797 -0.000 -33.571) 34.464 2.292 ( -7.797 0.000 33.571) 34.464 2.907 ( -10.248 0.000 -11.981) 15.766 2.907 ( 10.248 -0.000 11.981) 15.766 3.151 ( 5.665 -0.000 -13.951) 15.057 3.151 ( -5.665 0.000 13.951) 15.057 3.419 ( 1.030 -0.000 -6.639) 6.718 3.419 ( -1.030 0.000 6.639) 6.718 3.461 ( -3.778 0.000 1.011) 3.911 3.461 ( 3.778 -0.000 -1.011) 3.911 3.830 ( 3.688 -0.000 -5.253) 6.418 3.830 ( -3.688 0.000 5.253) 6.418 3.994 ( 7.512 -0.000 -8.256) 11.162 3.994 ( -7.512 0.000 8.256) 11.162 4.241 ( -5.726 0.000 -6.156) 8.407 4.241 ( 5.726 -0.000 6.156) 8.407 4.584 ( 0.731 -0.000 -0.875) 1.140 4.584 ( -0.731 0.000 0.875) 1.140 4.653 ( 0.407 -0.000 -7.061) 7.072 4.653 ( -0.407 0.000 7.061) 7.072 4.798 ( 1.755 -0.000 -0.852) 1.951 4.798 ( -1.755 0.000 0.852) 1.951 5.343 ( 9.452 -0.000 -10.667) 14.252 5.343 ( -9.452 0.000 10.667) 14.252 5.495 ( 0.105 -0.000 -7.540) 7.541 5.495 ( -0.105 0.000 7.540) 7.541 6.153 ( 0.267 -0.000 -1.431) 1.456 6.153 ( -0.267 0.000 1.431) 1.456 6.486 ( 1.910 -0.000 -6.754) 7.019 6.486 ( -1.910 0.000 6.754) 7.019 7.394 ( -9.443 0.000 -0.684) 9.468 7.394 ( 9.443 -0.000 0.684) 9.468 7.655 ( 0.274 -0.000 -4.111) 4.120 7.655 ( -0.274 0.000 4.111) 4.120 8.229 ( 1.748 -0.000 -7.559) 7.758 8.229 ( -1.748 0.000 7.559) 7.758 8.688 ( -0.680 0.000 -4.258) 4.312 8.688 ( 0.680 -0.000 4.258) 4.312 8.771 ( 1.296 -0.000 -8.382) 8.481 8.771 ( -1.296 0.000 8.382) 8.481 9.141 ( 0.271 -0.000 -7.857) 7.862 9.141 ( -0.271 0.000 7.857) 7.862 9.673 ( 1.305 -0.000 -3.319) 3.566 9.673 ( -1.305 0.000 3.319) 3.566 10.076 ( -1.830 0.000 -3.118) 3.616 10.076 ( 1.830 -0.000 3.118) 3.616 10.320 ( 2.815 -0.000 -4.989) 5.728 10.320 ( -2.815 0.000 4.989) 5.728 10.816 ( 6.254 -0.000 -2.661) 6.797 10.816 ( -6.254 0.000 2.661) 6.797 11.010 ( -7.768 0.000 -3.136) 8.377 11.010 ( 7.768 -0.000 3.136) 8.377 12.264 ( -1.566 0.000 -1.560) 2.210 12.264 ( 1.566 -0.000 1.560) 2.210 12.960 ( 0.456 -0.000 -0.711) 0.845 12.960 ( -0.456 0.000 0.711) 0.845 13.335 ( 0.750 -0.000 -6.616) 6.658 13.335 ( -0.750 0.000 6.616) 6.658 13.618 ( 5.136 -0.000 -2.838) 5.868 13.618 ( -5.136 0.000 2.838) 5.868 13.917 ( -21.929 0.000 1.884) 22.010 13.917 ( 21.929 -0.000 -1.884) 22.010 14.300 ( -0.912 0.000 -0.904) 1.284 14.300 ( 0.912 -0.000 0.904) 1.284 14.739 ( -5.451 0.000 -1.982) 5.800 14.739 ( 5.451 -0.000 1.982) 5.800 15.200 ( 4.605 -0.000 -2.165) 5.089 15.200 ( -4.605 0.000 2.165) 5.089 15.338 ( 10.154 -0.000 -3.553) 10.758 15.338 ( -10.154 0.000 3.553) 10.758 16.621 ( -2.946 0.000 -0.767) 3.045 16.621 ( 2.946 -0.000 0.767) 3.045 16.816 ( -3.185 0.000 -2.497) 4.047 16.816 ( 3.185 -0.000 2.497) 4.047 16.984 ( -0.442 0.000 -2.117) 2.163 16.984 ( 0.442 -0.000 2.117) 2.163 17.352 ( -4.338 0.000 -5.155) 6.737 17.352 ( 4.338 -0.000 5.155) 6.737 19.673 ( 2.031 -0.000 -1.915) 2.792 19.673 ( -2.031 0.000 1.915) 2.792 21.564 ( 1.169 -0.000 -2.027) 2.340 21.564 ( -1.169 0.000 2.027) 2.340 23.143 ( 0.257 -0.000 -5.067) 5.073 23.143 ( -0.257 0.000 5.067) 5.073 28.167 ( -19.369 0.000 0.836) 19.387 28.167 ( 19.369 -0.000 -0.836) 19.387 29.535 ( 12.513 -0.000 -4.334) 13.242 29.535 ( -12.513 0.000 4.334) 13.242 29.950 ( 0.071 -0.000 -3.889) 3.889 29.950 ( -0.071 0.000 3.889) 3.889 30.974 ( 8.265 -0.000 -5.272) 9.804 30.974 ( -8.265 0.000 5.272) 9.804 31.127 ( 0.336 -0.000 -1.957) 1.986 31.127 ( -0.336 0.000 1.957) 1.986 31.915 ( -0.936 0.000 -1.393) 1.678 31.915 ( 0.936 -0.000 1.393) 1.678 32.142 ( -0.350 0.000 -3.605) 3.622 32.142 ( 0.350 -0.000 3.605) 3.622 32.303 ( -1.002 0.000 0.033) 1.003 32.303 ( 1.002 -0.000 -0.033) 1.003 32.398 ( -10.082 0.000 -0.955) 10.128 32.398 ( 10.082 -0.000 0.955) 10.128 34.385 ( -1.019 0.000 -2.464) 2.667 34.385 ( 1.019 -0.000 2.464) 2.667 35.531 ( -10.001 0.000 -3.423) 10.571 35.531 ( 10.001 -0.000 3.423) 10.571 35.864 ( -2.923 0.000 -1.248) 3.178 35.864 ( 2.923 -0.000 1.248) 3.178 37.766 ( -5.909 0.000 -1.174) 6.024 37.766 ( 5.909 -0.000 1.174) 6.024 ======================= Grid point 166 (72/95) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 7.417 -6.292 -20.797) 22.959 1.286 ( 8.902 -10.265 -17.750) 22.353 1.378 ( 2.033 -10.877 19.169) 22.134 1.473 ( 19.061 -6.517 19.208) 27.834 2.328 ( 9.202 -4.676 -23.252) 25.439 2.351 ( -3.069 -2.291 19.085) 19.466 2.818 ( -3.828 -2.871 -9.784) 10.891 2.977 ( 1.393 4.072 4.431) 6.177 3.128 ( 0.039 1.771 0.637) 1.883 3.167 ( 5.214 -0.086 3.035) 6.034 3.385 ( -2.398 0.228 1.865) 3.046 3.443 ( -7.647 -3.753 8.375) 11.945 3.462 ( 6.690 0.185 -5.462) 8.638 3.556 ( 7.860 -2.108 -4.651) 9.373 3.851 ( -2.464 -4.569 -2.723) 5.862 3.884 ( 2.025 -5.290 -3.905) 6.880 3.952 ( -5.643 -0.101 9.480) 11.033 4.053 ( 7.522 -0.718 -1.379) 7.681 4.199 ( -4.895 -3.509 -6.133) 8.596 4.306 ( 1.206 -1.523 3.108) 3.665 4.533 ( -2.663 2.863 0.200) 3.915 4.567 ( 0.963 1.082 2.169) 2.608 4.652 ( -0.885 -0.912 1.881) 2.270 4.702 ( 2.608 -2.208 1.163) 3.610 4.830 ( -0.273 -2.029 2.015) 2.872 4.867 ( 4.785 -4.967 -4.630) 8.307 5.262 ( -8.326 1.737 8.956) 12.351 5.351 ( 3.792 2.524 -5.834) 7.402 5.487 ( -1.411 -1.229 -7.908) 8.127 5.617 ( 6.343 -6.508 4.925) 10.337 6.083 ( -7.780 3.578 -0.003) 8.564 6.113 ( -3.783 2.016 -2.007) 4.734 6.436 ( -6.452 2.642 2.029) 7.261 6.502 ( 0.886 -1.132 -0.303) 1.469 7.305 ( -7.924 0.232 0.180) 7.929 7.465 ( 8.158 2.634 0.176) 8.574 7.619 ( -0.659 2.157 -4.658) 5.175 7.640 ( -0.929 1.684 4.702) 5.080 8.173 ( -1.772 4.324 -3.677) 5.946 8.232 ( 1.313 1.258 5.221) 5.528 8.622 ( -9.017 1.173 -0.987) 9.146 8.684 ( -5.286 -0.918 5.466) 7.659 8.775 ( 1.914 -0.491 -10.061) 10.253 8.815 ( 1.639 -2.212 2.790) 3.919 9.034 ( -1.436 7.691 -3.191) 8.450 9.052 ( -1.936 8.664 0.895) 8.923 9.604 ( -2.648 5.450 -0.279) 6.066 9.626 ( -1.153 3.928 1.826) 4.482 10.043 ( -5.379 -0.030 -3.009) 6.164 10.116 ( 0.995 -1.760 2.250) 3.025 10.301 ( -4.708 0.308 4.351) 6.418 10.354 ( 3.080 -2.222 -2.493) 4.543 10.785 ( -3.049 -0.327 0.813) 3.172 10.899 ( 7.849 -2.556 -2.390) 8.593 10.959 ( -3.127 -1.063 -3.094) 4.525 11.126 ( 10.127 -2.597 3.040) 10.887 12.194 ( -5.345 3.310 -1.318) 6.423 12.228 ( -3.145 3.461 0.585) 4.713 12.876 ( -6.444 4.485 1.087) 7.927 12.950 ( -0.115 0.926 -0.095) 0.938 13.303 ( -1.834 1.599 -4.484) 5.101 13.335 ( -0.816 1.282 2.827) 3.210 13.570 ( -4.489 0.012 1.323) 4.680 13.626 ( 1.482 0.836 -1.542) 2.296 13.833 ( -6.255 -3.222 5.552) 8.962 14.092 ( 14.899 5.513 0.661) 15.900 14.310 ( -1.164 -3.181 -0.348) 3.405 14.440 ( 7.923 -8.514 3.969) 12.289 14.769 ( 9.917 -3.546 -3.782) 11.191 14.851 ( 9.903 -3.603 -0.998) 10.585 15.149 ( 2.177 4.239 0.803) 4.832 15.232 ( 10.192 2.936 -1.524) 10.716 15.302 ( -5.214 -2.852 3.663) 6.982 15.457 ( 11.040 -2.332 -2.662) 11.593 16.582 ( -4.389 0.045 -0.963) 4.494 16.643 ( 1.123 -0.139 0.352) 1.185 16.782 ( -2.499 -0.492 -1.242) 2.834 16.846 ( 1.806 0.143 3.725) 4.142 16.974 ( -0.634 0.106 -2.008) 2.108 17.009 ( 2.020 -1.174 -0.279) 2.352 17.278 ( -5.622 1.216 -0.686) 5.792 17.361 ( 0.869 3.528 4.288) 5.620 19.671 ( 0.888 0.075 0.707) 1.137 19.701 ( 4.611 -0.102 -0.842) 4.688 21.538 ( -1.992 2.137 2.078) 3.585 21.551 ( 0.111 1.770 -1.800) 2.527 23.124 ( -4.054 -1.389 -2.213) 4.823 23.142 ( -4.013 -1.093 2.442) 4.824 27.999 ( -11.516 2.327 5.851) 13.125 28.272 ( 16.344 9.840 1.671) 19.151 29.436 ( -8.343 -1.251 -1.946) 8.658 29.609 ( 8.678 2.220 -2.605) 9.329 29.897 ( -0.166 3.381 -4.790) 5.865 29.925 ( -0.094 2.695 4.358) 5.125 30.910 ( -3.767 0.113 5.146) 6.379 30.969 ( 4.970 1.976 -4.412) 6.933 31.252 ( -4.662 -12.210 -1.705) 13.180 31.370 ( 3.653 -17.451 6.691) 19.044 31.861 ( 0.041 4.514 -3.377) 5.638 31.911 ( 2.281 2.911 5.063) 6.270 32.160 ( -2.676 -4.621 -2.121) 5.746 32.166 ( -7.194 -3.682 -0.547) 8.100 32.287 ( 2.881 -0.166 1.057) 3.074 32.303 ( 0.250 0.134 -0.230) 0.365 32.403 ( 2.190 -3.852 -1.931) 4.834 32.563 ( 15.463 -4.154 -3.499) 16.389 34.393 ( -1.314 -3.208 -3.516) 4.938 34.427 ( -0.318 -3.461 3.911) 5.232 35.398 ( -9.296 4.670 -0.152) 10.405 35.609 ( 11.288 4.246 3.979) 12.700 35.800 ( -6.788 1.184 -2.383) 7.291 35.906 ( 3.259 -2.025 1.211) 4.024 37.408 ( -18.064 24.619 -8.490) 31.694 37.661 ( 4.245 14.411 1.180) 15.070 ======================= Grid point 167 (73/95) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 19.271 -9.358 -11.202) 24.175 1.589 ( 12.881 -16.812 -13.722) 25.236 1.685 ( 3.695 -15.879 12.493) 20.540 1.787 ( 11.861 -6.687 14.507) 19.896 2.349 ( -5.847 1.623 4.194) 7.376 2.474 ( 7.446 -7.339 -9.251) 13.960 2.859 ( -6.544 0.907 0.336) 6.616 2.911 ( 7.920 -2.978 -3.961) 9.342 3.106 ( -0.478 1.200 -2.059) 2.430 3.212 ( 1.086 0.003 1.344) 1.728 3.360 ( 2.747 2.355 -5.188) 6.325 3.468 ( -5.986 -4.882 5.406) 9.429 3.530 ( 5.454 -0.557 -0.291) 5.490 3.636 ( 8.183 -0.875 -2.572) 8.622 3.887 ( -2.498 -5.024 -0.987) 5.697 3.969 ( -0.199 -3.098 -6.743) 7.423 4.013 ( 1.942 -5.934 9.359) 11.251 4.152 ( 6.567 -2.826 5.225) 8.856 4.224 ( -2.307 -5.025 -3.449) 6.517 4.332 ( -0.945 1.338 3.453) 3.822 4.490 ( -0.329 -1.710 -1.887) 2.568 4.563 ( -2.005 -1.813 2.232) 3.505 4.706 ( 2.341 -3.141 1.095) 4.068 4.775 ( 3.579 -1.544 2.224) 4.488 4.832 ( -4.414 -0.956 2.624) 5.224 5.002 ( 3.533 -7.047 -3.402) 8.586 5.167 ( -3.370 5.492 0.535) 6.465 5.327 ( 3.023 3.466 3.203) 5.605 5.451 ( -2.440 0.138 -10.291) 10.577 5.776 ( 2.601 -2.277 5.425) 6.432 5.927 ( -10.175 2.093 0.948) 10.431 6.017 ( -5.760 2.616 -4.337) 7.670 6.297 ( -9.816 5.034 3.419) 11.549 6.525 ( 0.804 -0.551 -0.465) 1.080 7.249 ( -4.960 -0.552 0.735) 5.045 7.449 ( 2.556 4.496 2.711) 5.839 7.563 ( -1.073 1.351 -5.317) 5.590 7.646 ( 2.537 0.279 4.003) 4.748 8.050 ( -3.107 6.202 -3.882) 7.949 8.236 ( 0.281 2.034 4.822) 5.241 8.496 ( -9.505 1.216 -2.291) 9.853 8.642 ( -7.885 -0.112 4.023) 8.853 8.740 ( 0.193 3.065 -7.069) 7.707 8.865 ( 1.146 -0.469 2.024) 2.373 8.913 ( 2.951 5.996 -1.132) 6.778 8.930 ( 4.365 4.851 -3.819) 7.562 9.470 ( -3.419 6.710 -0.881) 7.582 9.549 ( -2.296 4.395 2.897) 5.743 9.957 ( -7.426 1.403 -2.479) 7.953 10.143 ( 0.412 0.377 0.548) 0.783 10.241 ( -6.892 1.432 4.115) 8.153 10.425 ( 3.453 -2.570 -1.152) 4.456 10.769 ( -1.190 -0.655 -0.509) 1.451 10.954 ( -1.989 -1.947 -1.573) 3.197 11.026 ( 9.556 -2.872 -2.248) 10.228 11.293 ( 10.523 -4.193 2.466) 11.593 12.069 ( -5.738 4.528 -0.938) 7.369 12.118 ( -5.001 4.349 0.605) 6.655 12.747 ( -5.280 4.342 1.677) 7.039 12.929 ( -0.376 1.530 -0.823) 1.777 13.224 ( -2.503 3.176 -4.818) 6.290 13.289 ( -1.126 3.701 3.630) 5.305 13.547 ( -2.397 -1.223 0.569) 2.751 13.657 ( 2.096 -2.241 0.680) 3.143 13.864 ( -1.359 -1.961 3.522) 4.254 14.065 ( 2.534 4.584 -2.699) 5.892 14.376 ( 1.853 -3.462 0.335) 3.941 14.578 ( 0.326 -3.387 1.274) 3.634 14.900 ( -0.011 -1.980 0.758) 2.121 15.054 ( 7.887 -4.544 -3.198) 9.648 15.157 ( 17.485 0.437 1.724) 17.575 15.321 ( 10.243 -1.675 1.263) 10.455 15.357 ( 9.233 -1.270 1.868) 9.505 15.589 ( 10.295 -1.921 -1.896) 10.643 16.546 ( -3.972 -1.615 -2.774) 5.107 16.644 ( -2.086 -0.419 -0.504) 2.186 16.790 ( 0.061 -1.485 0.785) 1.681 16.877 ( 1.643 -0.650 4.467) 4.804 16.960 ( 0.324 0.315 -2.870) 2.906 17.044 ( 1.803 -0.552 -0.164) 1.893 17.219 ( -4.255 0.269 1.843) 4.645 17.301 ( -1.452 3.485 1.168) 3.952 19.691 ( 2.582 -0.470 -0.419) 2.657 19.755 ( 5.205 -0.763 -0.046) 5.260 21.468 ( -3.024 4.115 2.332) 5.614 21.497 ( -1.509 3.047 -2.109) 4.002 23.106 ( -5.400 -1.895 2.732) 6.341 23.125 ( -4.046 -1.582 -2.017) 4.790 27.914 ( -5.062 0.953 5.779) 7.741 28.180 ( 7.079 12.158 -2.764) 14.337 29.434 ( -0.865 -4.410 -5.318) 6.963 29.621 ( 2.420 1.836 1.150) 3.248 29.830 ( 0.312 3.543 -0.354) 3.574 29.923 ( 3.281 0.492 0.886) 3.434 30.919 ( -1.673 -2.230 3.509) 4.481 30.998 ( 3.798 -1.066 -3.154) 5.051 31.377 ( -5.958 -9.672 -3.625) 11.924 31.632 ( -1.316 -8.037 5.547) 9.854 31.782 ( -0.205 2.894 1.819) 3.425 31.893 ( 2.348 3.725 5.696) 7.199 32.117 ( -8.613 -1.526 -3.372) 9.375 32.220 ( -4.066 -4.964 2.002) 6.721 32.306 ( 1.886 -0.589 -1.164) 2.293 32.367 ( 4.055 -2.782 1.096) 5.038 32.513 ( 8.085 -3.138 -1.820) 8.862 32.774 ( 13.175 -5.050 -2.226) 14.284 34.442 ( -0.801 -5.216 -5.508) 7.628 34.517 ( -1.872 -6.827 6.485) 9.601 35.205 ( -8.502 7.743 1.046) 11.547 35.613 ( 6.458 5.935 -1.966) 8.988 35.728 ( -0.166 2.148 -1.090) 2.415 35.999 ( 6.205 -2.762 1.617) 6.982 36.750 ( -20.660 25.192 -8.586) 33.693 37.463 ( 5.728 14.168 0.675) 15.296 ======================= Grid point 168 (74/95) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 19.080 -9.000 -4.904) 21.659 1.922 ( 13.876 -8.734 -4.378) 16.971 1.991 ( -1.018 -13.869 6.944) 15.544 2.015 ( 5.603 -9.349 5.594) 12.251 2.247 ( -7.262 1.266 -5.717) 9.329 2.524 ( -2.713 6.647 8.510) 11.134 2.872 ( -0.790 -10.326 -2.057) 10.559 3.036 ( -1.903 -1.511 3.067) 3.913 3.099 ( 8.813 -3.456 -10.503) 14.139 3.196 ( -1.344 2.930 0.403) 3.249 3.320 ( -0.017 0.017 -11.729) 11.729 3.481 ( -3.070 -0.312 3.433) 4.616 3.581 ( 3.938 -0.506 0.574) 4.012 3.747 ( 6.838 -3.000 0.142) 7.468 3.916 ( -3.596 0.215 -6.301) 7.258 4.030 ( 4.926 -3.349 8.136) 10.083 4.135 ( 3.016 1.882 3.662) 5.104 4.245 ( -0.394 -0.912 2.737) 2.912 4.295 ( 3.770 -6.987 3.268) 8.585 4.341 ( 3.280 -6.694 1.020) 7.524 4.591 ( 3.847 -6.545 -1.031) 7.662 4.634 ( 0.894 -5.609 0.577) 5.709 4.737 ( -0.131 4.516 -0.895) 4.605 4.763 ( 0.753 0.670 -0.596) 1.171 4.888 ( -3.102 -6.899 3.053) 8.157 5.021 ( -3.499 3.873 -4.808) 7.097 5.098 ( -0.435 2.650 4.448) 5.195 5.299 ( 1.482 2.353 1.594) 3.205 5.421 ( -0.105 -1.717 -3.961) 4.318 5.666 ( -14.095 3.713 -3.252) 14.934 5.905 ( -3.605 2.381 -3.299) 5.436 5.927 ( 1.873 0.564 4.693) 5.084 6.145 ( -6.755 3.559 2.209) 7.949 6.528 ( 0.123 0.597 -0.287) 0.674 7.228 ( -2.309 -0.835 -0.196) 2.463 7.427 ( 0.823 0.906 4.647) 4.805 7.536 ( -1.481 -1.467 -3.987) 4.498 7.676 ( 2.187 0.588 3.178) 3.902 7.893 ( -2.995 7.461 -3.039) 8.595 8.154 ( -4.044 5.890 0.428) 7.158 8.457 ( -2.129 -3.793 -2.555) 5.045 8.583 ( -5.511 0.211 1.858) 5.820 8.667 ( 0.099 3.478 -2.372) 4.211 8.808 ( 2.048 6.242 1.802) 6.812 8.917 ( 4.049 0.888 0.111) 4.147 8.949 ( 5.265 -1.704 -3.262) 6.423 9.321 ( -3.838 6.488 -0.086) 7.539 9.451 ( -3.923 4.327 0.588) 5.870 9.862 ( -6.392 1.241 -0.839) 6.565 10.106 ( -0.842 3.414 0.264) 3.526 10.166 ( -5.935 0.935 1.931) 6.311 10.477 ( 1.893 -0.621 -0.414) 2.034 10.798 ( 1.170 -3.011 -0.311) 3.246 10.959 ( -0.250 -0.093 -0.971) 1.007 11.151 ( 6.744 -2.991 -1.145) 7.466 11.456 ( 8.221 -3.418 1.224) 8.987 11.951 ( -4.053 3.267 -0.802) 5.267 12.021 ( -3.172 2.579 0.973) 4.202 12.648 ( -3.511 2.997 1.472) 4.845 12.876 ( -2.727 2.427 -1.414) 3.915 13.154 ( -0.760 1.739 -2.454) 3.102 13.227 ( -0.603 3.536 2.700) 4.490 13.570 ( 0.551 -2.003 0.424) 2.120 13.717 ( 1.472 -2.055 1.580) 2.980 13.869 ( -0.183 1.127 -0.613) 1.296 14.021 ( -0.558 0.508 -1.448) 1.633 14.446 ( 1.475 -2.795 -0.042) 3.161 14.612 ( -0.451 -0.654 1.206) 1.444 14.901 ( -2.725 -0.496 2.740) 3.896 15.053 ( 0.225 1.574 -4.524) 4.795 15.380 ( 9.095 -4.143 -1.136) 10.059 15.472 ( 11.029 -3.486 3.437) 12.066 15.505 ( 14.202 -0.278 1.092) 14.247 15.702 ( 7.630 -2.298 -1.465) 8.102 16.552 ( -1.081 -3.258 -5.669) 6.627 16.621 ( -3.955 -0.472 1.850) 4.392 16.806 ( -0.367 0.424 1.236) 1.357 16.925 ( 2.097 -1.818 0.553) 2.830 16.967 ( 2.173 -0.481 0.618) 2.310 17.055 ( 0.905 0.742 0.792) 1.413 17.197 ( -1.884 -0.106 1.495) 2.408 17.240 ( -2.691 1.497 0.035) 3.079 19.730 ( 2.919 -1.069 -0.606) 3.167 19.817 ( 4.093 -1.144 0.277) 4.259 21.367 ( -3.424 4.581 1.864) 6.015 21.420 ( -2.098 2.976 -1.794) 4.059 23.100 ( -4.604 -1.467 5.996) 7.701 23.111 ( -1.890 -1.414 -5.313) 5.813 27.890 ( -2.080 -0.217 3.925) 4.447 28.042 ( 2.391 7.882 -3.714) 9.036 29.491 ( 0.938 -2.875 -5.609) 6.372 29.619 ( -0.339 -0.663 2.098) 2.226 29.795 ( 1.265 1.906 2.337) 3.270 29.955 ( 3.972 0.495 0.008) 4.003 30.957 ( -0.750 -2.447 1.996) 3.245 31.040 ( 2.488 -1.005 -2.179) 3.456 31.450 ( -5.447 -7.319 -3.663) 9.831 31.634 ( 0.279 3.683 -2.390) 4.400 31.813 ( -3.179 -3.837 8.259) 9.645 31.871 ( 3.147 3.331 3.898) 6.016 32.051 ( -6.596 -0.387 -2.996) 7.254 32.221 ( -4.899 -0.640 1.804) 5.260 32.372 ( 3.108 -3.280 0.134) 4.521 32.440 ( 2.312 -2.139 -0.077) 3.151 32.616 ( 6.822 -0.956 -2.256) 7.249 32.942 ( 7.902 -2.975 1.135) 8.519 34.516 ( 0.200 -5.941 -5.554) 8.135 34.648 ( -3.176 -8.626 6.688) 11.368 35.022 ( -4.302 6.130 1.676) 7.674 35.534 ( 2.878 7.320 -7.445) 10.830 35.700 ( 5.436 4.800 0.432) 7.265 36.100 ( 9.035 1.069 -1.276) 9.187 36.217 ( -20.568 11.342 0.149) 23.489 37.317 ( 4.427 9.250 0.164) 10.256 ======================= Grid point 169 (75/95) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.925 ( 9.214 -5.389 -2.655) 11.000 2.053 ( 4.730 3.716 6.343) 8.742 2.156 ( -2.510 -7.424 3.509) 8.587 2.195 ( -1.082 -3.185 -5.765) 6.675 2.223 ( 2.561 -6.237 -4.870) 8.317 2.377 ( -3.812 5.784 4.866) 8.466 2.894 ( -3.721 3.502 1.799) 5.417 3.134 ( 4.218 -1.184 5.169) 6.776 3.167 ( -2.012 -4.310 -0.626) 4.797 3.234 ( 4.916 -7.230 -7.117) 11.273 3.285 ( -1.819 -0.784 -10.355) 10.543 3.463 ( -0.774 2.614 5.889) 6.489 3.608 ( 1.277 0.463 -0.127) 1.365 3.830 ( 2.594 -1.193 0.725) 2.946 3.856 ( -0.472 -0.874 -9.878) 9.928 3.957 ( -5.929 7.704 12.527) 15.857 4.244 ( 2.924 -1.587 0.499) 3.364 4.290 ( 6.771 -3.780 -1.628) 7.924 4.485 ( 3.972 -5.601 1.984) 7.147 4.507 ( 5.080 -5.370 -0.188) 7.395 4.619 ( 0.540 3.398 -3.337) 4.793 4.682 ( -4.439 4.513 1.511) 6.508 4.739 ( 1.466 -3.950 5.045) 6.573 4.759 ( 1.714 -6.022 -1.371) 6.409 4.924 ( -6.222 4.689 0.417) 7.803 4.958 ( 0.193 1.210 -1.388) 1.851 5.046 ( 4.981 -4.034 -0.544) 6.433 5.234 ( -9.045 5.641 1.572) 10.775 5.451 ( 2.368 0.026 0.149) 2.373 5.508 ( -6.612 -0.711 -2.281) 7.031 5.870 ( 1.258 -0.777 -2.161) 2.619 5.920 ( -0.243 2.537 2.603) 3.643 6.074 ( -1.985 0.753 0.169) 2.130 6.511 ( -0.409 0.748 -0.095) 0.858 7.227 ( -0.465 -0.524 -0.296) 0.761 7.455 ( 1.279 -1.100 2.092) 2.688 7.551 ( -1.807 -2.165 -1.539) 3.213 7.675 ( -0.535 1.173 1.868) 2.270 7.764 ( -0.137 4.204 -1.259) 4.391 8.034 ( -2.040 3.297 -0.597) 3.923 8.511 ( 0.061 -3.425 -3.735) 5.067 8.549 ( -1.961 -0.085 1.561) 2.508 8.617 ( 0.190 2.438 0.737) 2.554 8.747 ( 0.647 2.733 1.369) 3.124 8.957 ( 4.362 -0.777 -0.277) 4.439 9.004 ( 0.335 -0.656 -0.763) 1.061 9.213 ( -0.274 2.826 0.041) 2.840 9.348 ( -3.869 2.650 -0.358) 4.703 9.802 ( -2.600 0.451 -0.019) 2.639 10.052 ( -0.550 1.654 0.128) 1.748 10.113 ( -2.429 0.668 0.400) 2.550 10.487 ( 0.458 0.236 -0.148) 0.536 10.873 ( 1.607 -3.671 0.291) 4.018 10.938 ( -0.570 2.029 -0.637) 2.201 11.231 ( 2.521 -1.224 -0.276) 2.816 11.550 ( 3.004 -1.046 0.199) 3.187 11.889 ( -1.315 0.919 -0.269) 1.627 11.980 ( -0.751 0.545 0.472) 1.041 12.594 ( -1.232 1.069 0.593) 1.736 12.814 ( -1.817 1.261 -0.672) 2.312 13.130 ( -0.057 0.439 -0.599) 0.745 13.186 ( -0.167 1.421 0.966) 1.726 13.607 ( 0.712 -1.085 0.229) 1.318 13.749 ( 0.351 -0.240 1.128) 1.206 13.845 ( 0.122 0.565 -1.564) 1.667 14.018 ( -0.340 -0.375 -0.120) 0.520 14.491 ( 0.622 -1.353 -0.320) 1.523 14.608 ( -0.578 0.431 0.942) 1.186 14.896 ( -0.862 -0.207 1.008) 1.343 15.024 ( -0.022 0.733 -1.486) 1.657 15.484 ( 2.190 -2.479 -0.463) 3.340 15.584 ( 3.780 -1.010 -0.148) 3.916 15.598 ( 5.289 1.015 1.318) 5.544 15.793 ( 3.583 -1.546 -0.552) 3.941 16.570 ( 0.031 -0.627 -4.506) 4.549 16.624 ( -1.581 -2.142 3.117) 4.099 16.781 ( -0.530 1.457 0.161) 1.559 16.959 ( 0.653 -0.767 -1.023) 1.435 17.014 ( 2.027 -1.243 2.448) 3.413 17.049 ( 0.484 0.783 -0.481) 1.038 17.178 ( -1.252 0.938 1.268) 2.014 17.211 ( -1.172 -0.360 -0.626) 1.376 19.767 ( 1.394 -0.639 -0.284) 1.559 19.861 ( 1.562 -0.557 0.195) 1.670 21.285 ( -1.649 2.105 0.652) 2.753 21.364 ( -0.977 1.271 -0.654) 1.732 23.101 ( -2.861 -0.529 7.263) 7.824 23.104 ( 0.633 -0.591 -6.999) 7.052 27.899 ( -0.791 -1.234 2.194) 2.639 27.952 ( 0.770 3.633 -2.309) 4.373 29.502 ( -0.159 -0.134 -2.031) 2.041 29.649 ( 0.143 -1.482 0.541) 1.584 29.794 ( 0.748 0.364 1.259) 1.509 29.974 ( 1.738 0.511 0.061) 1.812 30.987 ( -0.249 -1.072 0.581) 1.244 31.061 ( 0.871 -0.234 -0.810) 1.212 31.506 ( -3.590 -5.946 -3.502) 7.778 31.567 ( 1.472 4.978 1.557) 5.420 31.854 ( -2.885 -2.589 3.240) 5.052 31.867 ( 3.755 2.262 1.127) 4.526 31.997 ( -3.213 0.078 -1.409) 3.509 32.191 ( -2.008 0.163 0.539) 2.085 32.438 ( 1.224 -1.541 0.354) 1.999 32.479 ( 0.817 -0.725 -0.203) 1.110 32.662 ( 2.467 -0.062 -1.149) 2.722 33.025 ( 2.503 -0.815 0.935) 2.794 34.607 ( 1.782 -5.143 -3.635) 6.545 34.707 ( -4.225 0.393 2.855) 5.115 34.993 ( 0.286 -3.652 4.437) 5.754 35.377 ( 1.253 9.366 -6.689) 11.577 35.672 ( 2.275 2.581 0.229) 3.448 35.955 ( -5.503 2.943 -0.106) 6.241 36.177 ( 1.068 -1.230 1.144) 1.990 37.241 ( 1.571 3.226 0.023) 3.588 ======================= Grid point 175 (76/95) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 19.770 -0.000 -8.189) 21.399 1.211 ( 11.901 -0.000 -25.694) 28.316 1.396 ( 8.297 -0.000 17.536) 19.400 1.702 ( 20.276 -0.000 17.330) 26.673 2.325 ( 16.693 -0.000 -36.059) 39.736 2.402 ( 2.361 -0.000 25.110) 25.221 2.761 ( 4.020 -0.000 -5.115) 6.506 3.040 ( -0.003 0.000 -2.439) 2.439 3.116 ( -6.687 0.000 11.290) 13.122 3.228 ( 5.079 -0.000 -3.400) 6.112 3.346 ( -7.569 0.000 11.771) 13.995 3.386 ( 0.800 -0.000 -4.549) 4.619 3.522 ( 6.352 -0.000 -5.783) 8.590 3.607 ( 8.216 -0.000 -2.917) 8.719 3.774 ( -3.505 0.000 0.806) 3.597 3.834 ( 2.093 -0.000 -7.350) 7.642 3.933 ( -5.485 0.000 14.008) 15.044 4.105 ( 5.146 -0.000 -2.587) 5.760 4.147 ( 4.999 -0.000 -4.787) 6.922 4.301 ( -1.075 0.000 2.632) 2.843 4.527 ( -3.830 0.000 0.245) 3.838 4.576 ( -1.622 0.000 4.017) 4.332 4.675 ( 4.370 -0.000 -5.648) 7.141 4.679 ( -3.323 0.000 9.569) 10.130 4.847 ( 5.034 -0.000 -2.379) 5.568 4.858 ( 4.843 -0.000 -4.068) 6.325 5.226 ( -6.474 0.000 13.883) 15.318 5.346 ( -1.336 0.000 -5.448) 5.610 5.539 ( 7.570 -0.000 -13.065) 15.100 5.570 ( 2.798 -0.000 4.595) 5.380 6.042 ( -9.735 0.000 -1.678) 9.879 6.050 ( -9.546 0.000 -0.962) 9.594 6.424 ( -5.387 0.000 -5.275) 7.539 6.436 ( -8.263 0.000 7.621) 11.241 7.234 ( -7.135 0.000 1.732) 7.343 7.567 ( 5.484 -0.000 1.061) 5.586 7.627 ( 2.437 -0.000 -5.454) 5.974 7.655 ( -1.469 0.000 3.927) 4.193 8.199 ( -1.887 0.000 -6.806) 7.063 8.245 ( -2.138 0.000 9.067) 9.315 8.543 ( -10.459 0.000 -1.713) 10.599 8.604 ( -10.792 0.000 6.253) 12.473 8.761 ( 2.327 -0.000 -8.948) 9.246 8.799 ( -0.467 0.000 -0.920) 1.031 9.063 ( -2.570 0.000 -2.412) 3.524 9.086 ( -4.733 0.000 -2.812) 5.505 9.628 ( -5.089 0.000 4.820) 7.009 9.629 ( -3.547 0.000 -2.494) 4.336 9.980 ( -6.512 0.000 -2.225) 6.882 10.107 ( 0.148 -0.000 1.637) 1.644 10.291 ( -3.512 0.000 7.194) 8.006 10.344 ( 3.148 -0.000 -4.334) 5.356 10.775 ( 0.332 -0.000 -0.881) 0.941 10.870 ( -1.294 0.000 -1.354) 1.873 11.008 ( 10.449 -0.000 -3.769) 11.108 11.212 ( 10.884 -0.000 3.355) 11.390 12.154 ( -7.525 0.000 -1.598) 7.693 12.208 ( -6.777 0.000 0.016) 6.777 12.891 ( -5.201 0.000 2.698) 5.859 12.893 ( -4.183 0.000 -0.929) 4.285 13.266 ( -4.358 0.000 -7.403) 8.591 13.326 ( -4.112 0.000 5.467) 6.841 13.539 ( -2.947 0.000 -0.060) 2.948 13.640 ( 1.151 -0.000 1.286) 1.726 13.817 ( 2.528 -0.000 2.841) 3.803 14.300 ( 1.107 -0.000 -4.324) 4.463 14.364 ( 5.574 -0.000 1.432) 5.755 14.407 ( 17.047 -0.000 7.363) 18.569 14.876 ( 2.435 -0.000 0.621) 2.513 14.888 ( 19.285 -0.000 0.619) 19.295 15.228 ( -1.520 0.000 8.778) 8.908 15.314 ( 19.668 -0.000 -7.882) 21.189 15.376 ( 13.491 -0.000 2.302) 13.686 15.533 ( 11.944 -0.000 -2.767) 12.260 16.534 ( -5.828 0.000 -0.417) 5.843 16.634 ( -3.232 0.000 0.022) 3.232 16.762 ( 0.245 -0.000 0.586) 0.635 16.866 ( 0.215 -0.000 3.108) 3.115 16.975 ( 1.267 -0.000 -4.119) 4.309 17.009 ( 1.071 -0.000 1.076) 1.518 17.221 ( -6.845 0.000 -0.162) 6.847 17.405 ( -3.587 0.000 8.439) 9.170 19.699 ( 3.189 -0.000 2.177) 3.861 19.766 ( 8.831 -0.000 -1.397) 8.941 21.543 ( -2.434 0.000 1.864) 3.066 21.552 ( -2.145 0.000 -1.239) 2.477 23.045 ( -6.256 0.000 -5.145) 8.100 23.077 ( -8.706 0.000 4.789) 9.937 27.938 ( -8.110 0.000 7.031) 10.734 28.542 ( 8.598 -0.000 12.321) 15.025 29.348 ( -2.806 0.000 -4.499) 5.303 29.717 ( 9.692 -0.000 -5.583) 11.185 29.903 ( -2.462 0.000 -3.570) 4.337 29.953 ( -1.465 0.000 3.547) 3.838 30.897 ( -3.345 0.000 6.215) 7.058 31.092 ( 2.734 -0.000 1.249) 3.006 31.127 ( 0.783 -0.000 -2.215) 2.349 31.152 ( 3.086 -0.000 -0.654) 3.155 31.913 ( 0.181 -0.000 0.629) 0.655 31.967 ( 3.034 -0.000 1.360) 3.325 32.067 ( -5.070 0.000 -0.584) 5.103 32.085 ( -2.635 0.000 -3.286) 4.212 32.315 ( 1.821 -0.000 -0.040) 1.821 32.317 ( 2.643 -0.000 0.119) 2.646 32.436 ( 12.734 -0.000 1.560) 12.829 32.661 ( 15.390 -0.000 -7.007) 16.910 34.344 ( -1.741 0.000 -1.693) 2.429 34.400 ( -1.046 0.000 2.316) 2.541 35.362 ( -8.174 0.000 1.943) 8.402 35.691 ( -12.168 0.000 -1.277) 12.235 35.799 ( 12.501 -0.000 3.828) 13.074 35.893 ( 1.214 -0.000 0.938) 1.534 37.477 ( -16.167 0.000 -14.674) 21.834 37.716 ( -9.423 0.000 1.026) 9.479 ======================= Grid point 176 (77/95) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 12.903 -11.345 -19.821) 26.231 1.419 ( 16.923 -9.337 4.113) 19.761 1.594 ( 15.271 -4.718 7.623) 17.708 1.892 ( 7.914 -2.312 8.940) 12.161 2.390 ( 13.203 1.118 -24.169) 27.563 2.507 ( 13.278 1.946 8.323) 15.791 2.838 ( 0.433 0.265 10.310) 10.323 2.982 ( 5.208 1.832 -3.873) 6.743 3.096 ( -4.355 -0.194 1.341) 4.561 3.234 ( 1.813 1.222 -0.381) 2.219 3.350 ( -5.569 -3.625 8.113) 10.487 3.388 ( 1.478 0.027 -8.354) 8.484 3.575 ( 6.284 -1.170 -4.222) 7.661 3.653 ( 1.810 -3.594 -5.367) 6.708 3.763 ( -3.732 -2.402 0.802) 4.510 3.905 ( 4.207 -3.648 -1.674) 5.815 3.972 ( 0.286 -5.093 12.889) 13.862 4.129 ( 2.129 -0.023 -2.142) 3.020 4.209 ( 6.090 -1.169 -2.881) 6.838 4.340 ( 2.108 -2.061 3.836) 4.838 4.485 ( -0.489 1.256 -0.240) 1.369 4.548 ( -6.450 1.855 7.015) 9.708 4.664 ( 0.030 -1.821 2.547) 3.131 4.746 ( 2.402 -3.261 1.352) 4.270 4.858 ( 1.572 1.638 -2.203) 3.164 4.928 ( 3.467 -3.824 -4.965) 7.162 5.219 ( -0.960 2.199 9.616) 9.910 5.340 ( 0.854 -1.404 -3.781) 4.122 5.489 ( 4.429 4.289 -8.234) 10.287 5.730 ( 2.167 -7.704 3.517) 8.742 5.870 ( -12.071 4.213 -0.188) 12.787 5.966 ( -8.369 0.235 -3.520) 9.082 6.268 ( -12.565 4.147 1.604) 13.329 6.443 ( -7.435 -5.148 0.692) 9.070 7.193 ( -5.016 -0.951 4.323) 6.690 7.547 ( -1.624 3.074 0.662) 3.539 7.590 ( 1.405 4.993 -2.770) 5.881 7.692 ( 5.091 -0.157 1.100) 5.211 8.106 ( -3.046 4.294 -5.845) 7.866 8.249 ( -3.948 -0.122 5.960) 7.150 8.417 ( -9.977 1.151 -1.082) 10.102 8.540 ( -11.321 -2.798 2.428) 11.912 8.759 ( 1.085 1.146 -5.380) 5.607 8.811 ( -0.379 -3.222 -2.331) 3.995 9.010 ( 0.554 3.273 -1.044) 3.480 9.018 ( 1.108 3.348 -5.772) 6.764 9.531 ( -5.085 4.937 0.491) 7.105 9.580 ( -4.982 2.221 2.487) 5.995 9.896 ( -7.923 1.045 -1.697) 8.169 10.117 ( -2.368 -1.620 -0.244) 2.879 10.255 ( -2.405 3.037 6.762) 7.793 10.401 ( 3.483 -3.159 -2.453) 5.304 10.771 ( 1.453 0.688 -1.772) 2.393 10.891 ( 0.266 -2.693 -0.691) 2.793 11.101 ( 10.654 -0.385 -3.031) 11.083 11.346 ( 10.723 -2.311 2.834) 11.330 12.059 ( -7.505 2.152 -0.994) 7.871 12.120 ( -6.508 2.280 0.054) 6.896 12.783 ( -3.694 4.791 1.480) 6.228 12.906 ( -2.609 -1.479 -0.062) 2.999 13.187 ( -6.350 0.590 -5.305) 8.295 13.297 ( -5.543 0.022 4.169) 6.936 13.521 ( -0.942 -0.602 0.023) 1.118 13.666 ( 2.959 -0.193 2.121) 3.646 13.861 ( 2.513 -1.271 1.655) 3.267 14.205 ( 1.867 8.042 -4.602) 9.451 14.437 ( 11.237 0.914 -0.394) 11.281 14.578 ( 8.495 -1.566 2.658) 9.037 14.881 ( -1.681 -0.292 3.215) 3.639 15.027 ( 1.195 -2.393 -1.935) 3.302 15.341 ( 14.720 -2.929 9.576) 17.803 15.418 ( 18.567 5.969 -3.789) 19.867 15.537 ( 18.306 1.146 -0.687) 18.354 15.664 ( 11.560 -1.618 -0.680) 11.692 16.477 ( -5.640 -0.685 -1.102) 5.788 16.598 ( -4.938 -0.897 -0.375) 5.033 16.787 ( 2.381 -0.595 1.696) 2.983 16.880 ( -0.054 -0.959 2.026) 2.242 16.972 ( 1.313 0.344 -1.938) 2.366 17.032 ( 0.439 -1.217 -0.247) 1.317 17.172 ( -5.036 -0.914 1.708) 5.395 17.342 ( -5.751 3.647 5.252) 8.600 19.738 ( 5.244 0.790 1.597) 5.539 19.834 ( 9.793 2.144 -1.295) 10.108 21.498 ( -4.506 2.281 0.549) 5.080 21.503 ( -3.854 1.690 0.008) 4.208 23.000 ( -6.376 -3.463 -3.696) 8.143 23.026 ( -8.639 -2.468 4.049) 9.855 27.897 ( -4.258 0.316 6.601) 7.862 28.447 ( -2.828 13.248 2.718) 13.816 29.379 ( 6.083 -1.885 -4.602) 7.857 29.708 ( 2.935 5.594 -1.721) 6.547 29.883 ( 1.252 0.875 -2.037) 2.546 29.950 ( 1.176 -0.213 1.888) 2.234 30.897 ( -0.378 -0.578 4.378) 4.432 31.034 ( 4.147 2.449 -3.380) 5.884 31.186 ( -2.409 -6.958 0.868) 7.414 31.399 ( -3.618 -16.159 3.849) 17.001 31.869 ( 1.573 5.182 -1.650) 5.661 31.945 ( -3.638 1.097 4.505) 5.893 32.046 ( -1.755 1.133 -0.808) 2.240 32.115 ( -0.655 -5.168 -1.468) 5.412 32.326 ( 3.214 0.357 -0.805) 3.333 32.368 ( 3.819 -1.875 0.028) 4.254 32.597 ( 14.823 -0.126 3.947) 15.340 32.810 ( 12.425 -4.015 -4.901) 13.947 34.351 ( -1.033 -3.088 -2.200) 3.930 34.423 ( -2.147 -3.660 3.158) 5.289 35.237 ( -9.270 5.529 2.726) 11.132 35.560 ( -12.911 -2.115 -6.986) 14.831 35.870 ( 9.293 3.748 0.772) 10.050 35.995 ( 7.399 -3.712 6.636) 10.609 37.025 ( -11.249 25.832 -15.759) 32.283 37.612 ( -8.074 3.717 0.511) 8.904 ======================= Grid point 177 (78/95) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 4.868 -18.173 -10.797) 21.692 1.750 ( 16.449 -8.713 4.438) 19.136 1.859 ( 14.722 -7.334 4.767) 17.125 2.003 ( 1.777 -5.204 -2.637) 6.099 2.350 ( 6.504 9.698 -0.269) 11.680 2.668 ( 14.430 -2.143 2.595) 14.818 2.730 ( -5.484 4.425 -1.310) 7.167 3.031 ( -4.757 1.866 6.318) 8.126 3.113 ( 8.848 -2.929 -7.109) 11.722 3.239 ( 2.895 1.660 -0.302) 3.351 3.324 ( -0.056 3.688 -12.153) 12.700 3.397 ( -4.208 -5.168 5.360) 8.553 3.625 ( 3.801 -0.342 -3.587) 5.238 3.739 ( 1.626 -2.936 -2.036) 3.925 3.820 ( -1.625 -6.110 1.327) 6.460 4.019 ( 5.410 -5.521 5.161) 9.294 4.149 ( 3.877 -8.009 10.014) 13.396 4.186 ( 3.688 -3.539 -4.722) 6.959 4.258 ( -1.405 -0.910 1.053) 1.978 4.309 ( -3.378 1.908 3.034) 4.925 4.526 ( 3.856 -5.323 0.239) 6.577 4.561 ( 2.335 -4.065 2.143) 5.154 4.736 ( 1.364 -4.377 0.981) 4.689 4.789 ( -1.179 2.141 -0.231) 2.455 4.838 ( 2.902 0.338 -0.857) 3.045 4.970 ( -4.377 -1.559 -3.267) 5.680 5.171 ( 1.106 4.209 4.293) 6.113 5.390 ( 2.333 0.135 -5.032) 5.548 5.427 ( 4.307 3.906 2.165) 6.205 5.617 ( -10.748 6.379 -3.188) 12.898 5.875 ( -4.843 0.456 -5.024) 6.993 5.915 ( -0.905 -4.779 6.196) 7.877 6.103 ( -11.435 1.267 2.141) 11.702 6.455 ( -7.859 -4.619 -0.375) 9.124 7.191 ( -2.815 -1.435 4.890) 5.822 7.481 ( -0.948 3.136 3.004) 4.445 7.514 ( -0.839 2.592 -3.917) 4.771 7.722 ( 2.026 1.226 1.426) 2.764 7.986 ( -0.305 6.063 -5.728) 8.346 8.182 ( -6.238 3.325 0.894) 7.126 8.366 ( -3.993 -3.153 0.028) 5.088 8.498 ( -8.879 -3.223 0.947) 9.493 8.715 ( 0.562 2.783 -2.960) 4.102 8.867 ( -0.307 -2.302 1.293) 2.658 8.956 ( 2.478 3.526 -1.490) 4.560 8.994 ( 5.163 1.561 -5.738) 7.875 9.384 ( -6.152 6.303 1.344) 8.910 9.479 ( -5.330 4.120 -0.148) 6.738 9.804 ( -7.376 0.475 -0.237) 7.395 10.103 ( -4.771 -1.124 -1.680) 5.182 10.190 ( -1.138 4.803 6.664) 8.293 10.470 ( 2.077 -2.011 -1.832) 3.422 10.787 ( 3.381 -0.721 -1.542) 3.785 10.936 ( 0.356 -2.072 0.059) 2.103 11.201 ( 9.497 -0.634 -2.033) 9.732 11.488 ( 8.326 -2.483 1.620) 8.838 11.949 ( -5.938 2.551 -0.273) 6.468 12.034 ( -3.459 2.089 0.198) 4.046 12.682 ( -2.268 4.207 1.332) 4.961 12.870 ( -3.717 1.811 -1.300) 4.334 13.124 ( -4.373 -0.772 -2.448) 5.070 13.241 ( -6.331 0.922 2.623) 6.915 13.544 ( 0.435 -2.016 0.416) 2.104 13.711 ( 2.384 -1.128 2.420) 3.580 13.900 ( 1.740 0.082 0.307) 1.768 14.094 ( 3.907 6.059 -4.629) 8.567 14.514 ( 11.579 2.485 -0.698) 11.863 14.651 ( 5.689 1.518 2.430) 6.370 14.880 ( -2.395 -0.567 5.027) 5.597 15.032 ( -1.504 -0.753 -3.796) 4.152 15.462 ( 11.561 2.503 -2.573) 12.105 15.573 ( 15.350 -0.316 2.636) 15.577 15.653 ( 11.810 1.699 2.167) 12.127 15.763 ( 8.555 0.573 -1.248) 8.664 16.470 ( -1.394 -3.578 -3.425) 5.145 16.572 ( -4.157 -1.250 0.456) 4.364 16.815 ( 1.071 0.244 0.741) 1.325 16.907 ( 0.657 -1.811 -0.599) 2.017 16.991 ( 2.001 -0.535 2.612) 3.333 17.049 ( -0.745 -1.133 -0.577) 1.474 17.165 ( -2.235 -1.567 1.546) 3.137 17.239 ( -5.976 2.849 2.533) 7.088 19.780 ( 6.531 1.310 0.429) 6.675 19.877 ( 7.745 2.203 -0.833) 8.095 21.395 ( -6.198 3.379 -0.774) 7.101 21.429 ( -4.468 2.384 1.201) 5.205 23.008 ( -4.391 -4.725 -5.069) 8.203 23.020 ( -6.845 -3.774 5.945) 9.820 27.882 ( -2.079 0.027 5.000) 5.415 28.201 ( -2.563 11.072 -3.795) 11.981 29.456 ( 5.397 -1.884 -4.855) 7.500 29.644 ( 0.416 3.026 1.137) 3.259 29.861 ( 1.733 2.921 1.819) 3.853 29.991 ( 3.504 -0.629 -0.316) 3.574 30.931 ( 1.216 -1.513 2.579) 3.228 31.050 ( 3.523 -0.225 -2.684) 4.435 31.278 ( -3.074 -7.161 -1.111) 7.872 31.578 ( -5.689 -9.744 2.548) 11.567 31.793 ( 0.491 3.994 0.524) 4.058 31.923 ( -3.550 -0.821 4.981) 6.172 31.997 ( -1.788 2.245 -0.675) 2.948 32.162 ( -1.822 -2.185 -1.238) 3.103 32.374 ( 4.704 -1.484 -0.165) 4.935 32.439 ( 4.527 -1.553 0.068) 4.786 32.700 ( 9.526 1.985 -0.966) 9.778 32.968 ( 6.996 -3.132 2.322) 8.010 34.411 ( 0.537 -5.319 -3.592) 6.441 34.499 ( -3.117 -7.068 4.754) 9.071 35.064 ( -7.272 5.295 0.720) 9.024 35.471 ( -11.622 -2.618 -6.825) 13.730 35.894 ( 10.046 4.156 -1.606) 10.990 36.120 ( 4.338 -0.157 9.245) 10.213 36.477 ( -0.883 25.467 -11.495) 27.955 37.454 ( -5.925 6.840 0.174) 9.051 ======================= Grid point 178 (79/95) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 0.294 -9.007 -0.274) 9.016 2.042 ( 14.576 -5.593 -5.819) 16.661 2.071 ( -0.243 -3.900 -8.947) 9.763 2.108 ( 3.914 -8.297 5.243) 10.567 2.276 ( 9.104 4.902 7.730) 12.910 2.554 ( 1.627 10.761 6.813) 12.840 2.914 ( 1.978 -1.254 8.514) 8.830 2.985 ( 1.059 -8.554 -11.598) 14.450 3.127 ( -4.032 0.756 -0.396) 4.121 3.214 ( 3.145 0.377 -10.016) 10.505 3.294 ( 4.633 2.059 -0.778) 5.129 3.467 ( -0.792 -3.525 4.121) 5.480 3.647 ( 2.445 0.470 -1.546) 2.931 3.761 ( -0.854 -2.226 -6.450) 6.877 3.864 ( -0.353 0.268 1.267) 1.342 4.029 ( -10.300 5.603 10.759) 15.914 4.238 ( -2.170 -2.000 0.792) 3.055 4.259 ( 6.883 -5.010 1.338) 8.618 4.388 ( 0.317 -8.935 0.970) 8.993 4.438 ( 6.774 -8.820 -1.730) 11.255 4.654 ( 2.861 -1.564 -6.118) 6.932 4.673 ( -1.961 -5.421 2.275) 6.198 4.694 ( 0.109 1.927 1.836) 2.664 4.750 ( -1.663 4.480 3.166) 5.733 4.866 ( 0.697 -3.461 -2.869) 4.549 4.964 ( 1.846 -2.594 -2.068) 3.797 5.127 ( 0.327 5.280 7.390) 9.088 5.281 ( -0.132 6.318 -3.470) 7.209 5.425 ( -4.244 3.406 -3.613) 6.532 5.529 ( 6.713 -1.492 4.184) 8.050 5.837 ( -2.373 -1.725 -3.076) 4.251 5.934 ( -4.026 0.152 0.324) 4.042 6.044 ( -4.126 -0.944 3.141) 5.271 6.441 ( -8.618 -3.570 -1.014) 9.383 7.210 ( -0.255 -1.232 2.544) 2.838 7.451 ( -1.927 0.883 4.844) 5.287 7.492 ( 0.326 -2.612 -4.662) 5.354 7.706 ( -0.868 1.327 2.349) 2.834 7.873 ( 2.532 7.267 -3.322) 8.381 8.062 ( -4.325 4.187 -0.259) 6.025 8.411 ( -1.792 -5.376 -3.430) 6.624 8.484 ( -6.255 -3.312 1.384) 7.212 8.675 ( 1.907 2.816 -0.692) 3.471 8.840 ( -0.030 4.562 2.897) 5.404 8.970 ( 1.866 -1.561 -0.045) 2.433 9.008 ( 3.745 1.321 -4.826) 6.250 9.234 ( -6.571 4.198 1.565) 7.953 9.361 ( -3.515 3.358 -2.500) 5.466 9.754 ( -4.427 -1.462 0.820) 4.734 10.066 ( -4.284 -0.571 -2.408) 4.947 10.130 ( 1.102 3.857 6.209) 7.393 10.488 ( -0.086 -0.078 -2.087) 2.090 10.847 ( 3.696 -2.287 -0.323) 4.359 10.956 ( 0.291 0.290 -0.019) 0.411 11.273 ( 6.325 0.977 -0.836) 6.454 11.569 ( 3.011 0.019 0.379) 3.035 11.880 ( -2.855 0.610 0.836) 3.037 11.991 ( -0.690 0.752 -0.434) 1.109 12.616 ( -0.193 2.536 0.635) 2.622 12.802 ( -2.861 1.108 -1.175) 3.285 13.104 ( -3.153 -1.134 -0.402) 3.375 13.174 ( -6.113 0.263 0.753) 6.165 13.585 ( 0.178 -2.019 0.340) 2.055 13.747 ( 0.035 -0.510 2.259) 2.316 13.889 ( 2.619 2.402 -1.688) 3.934 14.064 ( 5.397 2.303 -2.354) 6.323 14.572 ( 11.201 3.429 -0.584) 11.729 14.658 ( 3.609 3.064 2.362) 5.290 14.884 ( -2.640 -0.688 7.127) 7.631 15.020 ( 1.416 0.242 -6.504) 6.661 15.519 ( 8.084 1.442 -2.050) 8.464 15.632 ( 3.771 2.958 -0.034) 4.793 15.688 ( 2.260 3.895 2.827) 5.317 15.827 ( 5.870 0.441 -1.208) 6.009 16.532 ( 2.624 -3.283 -6.892) 8.072 16.580 ( -1.229 -3.068 4.891) 5.903 16.797 ( -0.704 1.630 -1.519) 2.337 16.947 ( 0.935 -1.721 -0.020) 1.959 17.024 ( 0.285 -0.373 3.861) 3.890 17.050 ( -0.972 -0.054 -1.594) 1.867 17.160 ( -5.071 0.200 1.011) 5.175 17.185 ( -0.499 -1.443 1.511) 2.148 19.813 ( 5.670 2.053 -0.193) 6.034 19.899 ( 4.308 2.069 -0.086) 4.780 21.288 ( -5.053 1.989 -1.349) 5.595 21.361 ( -3.998 1.088 1.588) 4.437 23.038 ( -1.422 -4.248 -7.369) 8.624 23.048 ( -5.059 -3.698 7.918) 10.098 27.883 ( -0.951 -0.465 3.189) 3.360 28.029 ( -1.278 6.264 -3.485) 7.281 29.499 ( 2.432 -0.287 -3.035) 3.900 29.637 ( 1.240 -0.569 1.191) 1.811 29.835 ( 1.487 2.674 1.296) 3.323 30.011 ( 1.614 1.436 -0.043) 2.160 30.975 ( 1.644 -1.220 1.633) 2.619 31.074 ( 2.418 0.221 -2.092) 3.205 31.364 ( -1.656 -6.730 -2.561) 7.388 31.637 ( -0.608 -0.983 0.123) 1.163 31.770 ( -3.584 -1.909 4.284) 5.903 31.935 ( -4.352 -1.759 -1.565) 4.948 31.940 ( 1.615 2.150 4.827) 5.525 32.167 ( -0.435 -1.175 -2.963) 3.217 32.437 ( 2.922 -1.090 0.513) 3.161 32.494 ( 3.877 0.099 0.580) 3.921 32.719 ( 4.763 2.926 -2.252) 6.026 33.041 ( 1.041 -0.155 3.171) 3.342 34.516 ( 2.510 -6.757 -3.604) 8.060 34.611 ( -3.424 -7.564 4.442) 9.417 34.951 ( -4.403 1.254 0.769) 4.642 35.363 ( -12.933 0.019 -5.344) 13.993 35.897 ( 11.775 9.408 -3.572) 15.490 36.011 ( -2.586 10.412 4.773) 11.742 36.268 ( 10.004 5.445 -1.864) 11.542 37.291 ( -6.634 5.196 0.013) 8.426 ======================= Grid point 179 (80/95) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -3.796 3.681 -3.415) 6.295 1.997 ( -5.483 3.733 -2.099) 6.957 2.174 ( 3.574 -5.095 -2.593) 6.742 2.244 ( 6.622 -0.507 -1.339) 6.775 2.377 ( 9.770 5.475 2.156) 11.405 2.481 ( 7.535 5.383 10.986) 14.368 2.845 ( -3.104 -1.316 2.621) 4.271 3.091 ( -2.644 -0.822 -3.696) 4.618 3.186 ( -0.805 -6.067 -6.938) 9.252 3.259 ( 3.219 -1.867 3.525) 5.126 3.311 ( 5.261 -2.521 -2.420) 6.316 3.459 ( -2.660 4.636 5.089) 7.380 3.631 ( 0.466 3.063 -0.131) 3.101 3.818 ( 3.152 -5.793 -10.187) 12.135 3.842 ( -2.421 -0.802 1.923) 3.195 3.893 ( -6.458 3.159 7.313) 10.255 4.219 ( -8.970 1.119 0.910) 9.085 4.285 ( -5.038 2.945 1.067) 5.933 4.452 ( -4.116 -2.423 -2.125) 5.228 4.551 ( -0.940 2.404 -0.886) 2.729 4.584 ( -0.664 -0.632 -0.712) 1.161 4.636 ( -0.359 -1.039 -4.215) 4.356 4.757 ( 1.159 -0.259 -2.474) 2.744 4.841 ( -0.380 -5.223 4.754) 7.073 4.859 ( 1.742 2.607 1.033) 3.301 4.972 ( 1.039 1.758 1.934) 2.813 5.149 ( 3.774 7.653 -4.347) 9.577 5.231 ( 12.596 -7.014 0.606) 14.430 5.409 ( -0.614 -2.087 2.062) 2.997 5.625 ( 8.684 0.663 4.116) 9.633 5.851 ( -2.524 -3.231 -3.512) 5.399 5.870 ( -3.621 1.838 0.615) 4.107 6.050 ( -1.414 -2.286 0.910) 2.838 6.424 ( -8.244 -4.793 -0.882) 9.577 7.235 ( 1.046 -0.523 1.221) 1.691 7.428 ( -3.894 -0.429 0.767) 3.992 7.573 ( 4.905 -3.958 -3.282) 7.106 7.692 ( 0.437 1.486 3.819) 4.121 7.777 ( 1.844 4.926 -0.688) 5.304 7.995 ( -1.998 -0.913 -0.270) 2.213 8.469 ( -2.036 -4.899 -3.954) 6.617 8.509 ( -2.916 -4.396 1.608) 5.515 8.645 ( 2.277 3.305 0.655) 4.067 8.775 ( 0.960 4.019 2.002) 4.591 8.942 ( -4.425 2.972 -1.733) 5.605 9.006 ( -1.096 1.290 -0.813) 1.877 9.158 ( -2.174 -1.784 1.262) 3.083 9.334 ( 1.183 -2.112 -2.433) 3.432 9.781 ( 0.774 -3.458 0.708) 3.613 10.040 ( -2.621 -1.183 -0.201) 2.883 10.134 ( 4.650 0.584 3.123) 5.632 10.474 ( -1.455 -0.111 -1.845) 2.352 10.912 ( 2.016 -1.718 0.191) 2.655 10.927 ( -0.295 2.925 0.131) 2.942 11.274 ( 2.531 3.774 -0.322) 4.556 11.549 ( -2.695 2.427 0.156) 3.630 11.874 ( -0.511 -1.327 1.148) 1.827 11.984 ( 0.350 -0.171 -1.071) 1.140 12.600 ( 2.260 0.458 -0.418) 2.344 12.794 ( 0.158 -1.713 0.102) 1.723 13.092 ( -4.606 -1.684 1.380) 5.094 13.133 ( -4.209 -1.714 -1.838) 4.902 13.608 ( 0.088 -0.485 -0.168) 0.521 13.741 ( -1.699 0.262 0.323) 1.750 13.886 ( 4.325 1.841 0.850) 4.777 14.076 ( 5.024 2.048 -1.728) 5.694 14.589 ( 6.745 5.002 0.560) 8.416 14.664 ( 8.163 2.923 0.165) 8.672 14.897 ( -2.123 -1.057 8.046) 8.388 15.010 ( 1.683 0.348 -7.343) 7.541 15.533 ( 0.277 2.026 -2.497) 3.228 15.570 ( -1.746 5.500 1.499) 5.963 15.605 ( -4.582 4.946 1.020) 6.819 15.814 ( -1.200 3.522 -0.265) 3.730 16.577 ( 2.099 -1.604 0.126) 2.645 16.658 ( 3.751 -1.323 0.649) 4.030 16.759 ( -1.060 0.105 -2.436) 2.659 16.969 ( -0.070 0.114 1.132) 1.140 17.002 ( -4.632 1.174 -0.278) 4.787 17.030 ( -1.751 -0.163 0.187) 1.769 17.155 ( 0.077 -1.823 -0.235) 1.840 17.211 ( 0.035 -1.310 1.008) 1.653 19.808 ( 2.784 3.330 -0.147) 4.343 19.883 ( 0.633 2.713 0.059) 2.786 21.250 ( -1.198 -1.858 -1.767) 2.830 21.338 ( -2.374 -1.531 1.949) 3.432 23.076 ( 1.087 -3.041 -7.747) 8.393 23.087 ( -3.232 -2.849 7.787) 8.899 27.897 ( -0.551 -1.192 1.870) 2.285 27.941 ( -0.441 2.536 -2.003) 3.261 29.516 ( 2.028 -0.059 0.800) 2.180 29.662 ( 0.632 -0.345 -0.149) 0.735 29.805 ( 0.687 2.252 -0.930) 2.531 29.974 ( -1.751 2.472 0.038) 3.030 31.005 ( 1.379 0.059 1.374) 1.947 31.073 ( 0.935 1.136 -1.406) 2.035 31.462 ( 1.113 -6.292 -2.771) 6.965 31.634 ( 3.499 2.790 2.666) 5.209 31.777 ( -5.922 -2.591 1.668) 6.676 31.885 ( -1.740 1.256 -1.118) 2.420 32.000 ( 2.905 -2.871 3.402) 5.316 32.190 ( 2.329 -1.919 -4.570) 5.477 32.457 ( 0.587 1.062 0.516) 1.319 32.505 ( 1.418 1.993 0.991) 2.639 32.690 ( 1.657 3.489 -0.919) 3.970 33.018 ( -3.837 1.879 1.292) 4.464 34.651 ( 2.810 -3.403 1.635) 4.706 34.677 ( 0.970 -3.781 -0.454) 3.930 34.948 ( -4.831 -4.140 -2.474) 6.826 35.214 ( -13.063 -0.620 0.620) 13.093 35.772 ( 6.877 9.824 -0.087) 11.993 35.982 ( 4.246 0.625 0.577) 4.330 36.277 ( 10.144 4.653 -0.600) 11.176 37.167 ( -9.152 0.573 -0.075) 9.170 ======================= Grid point 180 (81/95) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -9.610 11.852 2.810) 15.515 1.839 ( -10.581 5.271 -5.817) 13.175 2.182 ( 4.105 9.772 -2.404) 10.868 2.282 ( 2.468 12.937 1.745) 13.286 2.332 ( 9.171 -0.877 -2.867) 9.649 2.477 ( 2.634 0.488 7.064) 7.555 2.946 ( 3.764 -3.855 -4.372) 6.938 3.059 ( -0.360 -0.689 -1.026) 1.287 3.178 ( -1.987 6.725 4.457) 8.309 3.236 ( 1.738 6.810 0.702) 7.063 3.370 ( -0.624 0.791 12.435) 12.475 3.437 ( 0.481 -5.161 -3.472) 6.239 3.580 ( -0.800 2.459 -2.702) 3.740 3.725 ( -7.910 5.031 -1.988) 9.583 3.908 ( -1.905 -4.325 9.101) 10.254 3.963 ( 0.681 -6.144 -9.371) 11.226 4.065 ( -7.692 0.921 2.953) 8.291 4.212 ( -6.406 0.465 -5.642) 8.549 4.373 ( -0.203 4.751 -5.059) 6.943 4.433 ( -3.231 8.305 1.345) 9.013 4.612 ( -1.471 -1.520 0.000) 2.115 4.648 ( -0.380 -3.690 -1.913) 4.173 4.726 ( 1.107 4.890 -2.952) 5.818 4.792 ( -2.097 3.937 5.124) 6.794 4.957 ( 0.371 -5.461 3.028) 6.255 5.018 ( 1.307 -4.882 -2.476) 5.628 5.063 ( 8.203 7.916 -1.841) 11.548 5.343 ( 0.682 5.557 -2.839) 6.277 5.465 ( 4.238 -1.244 5.842) 7.324 5.729 ( 5.802 -3.289 0.716) 6.708 5.874 ( 2.769 -3.486 -0.459) 4.475 5.890 ( 2.947 -3.212 1.363) 4.567 6.103 ( 1.456 -4.949 -2.370) 5.677 6.434 ( -8.612 -5.578 0.098) 10.261 7.259 ( 2.101 -0.115 2.228) 3.065 7.397 ( -2.726 -0.086 -2.858) 3.950 7.601 ( 2.396 3.336 -0.216) 4.113 7.666 ( -1.250 2.279 0.268) 2.613 7.828 ( 6.075 -6.153 1.043) 8.710 8.058 ( -0.857 -7.023 -0.203) 7.079 8.521 ( -0.406 -1.181 3.048) 3.294 8.561 ( 0.041 -4.587 -0.366) 4.602 8.633 ( 2.542 -0.470 -1.030) 2.782 8.746 ( 1.310 0.977 -0.871) 1.852 8.850 ( -6.649 0.461 -0.451) 6.681 8.922 ( -6.691 1.968 0.096) 6.975 9.256 ( 4.234 -5.940 1.252) 7.401 9.398 ( 0.468 -4.501 -1.941) 4.923 9.875 ( 5.155 -3.841 0.304) 6.436 10.057 ( -2.076 -3.048 1.675) 4.050 10.205 ( 7.450 -1.077 -0.041) 7.528 10.455 ( -2.984 -0.440 -0.993) 3.176 10.860 ( 1.053 4.242 -1.163) 4.522 10.945 ( -1.417 -1.020 2.430) 2.993 11.202 ( 0.898 6.127 -0.344) 6.202 11.442 ( -7.545 4.441 -0.292) 8.760 11.924 ( 2.118 -3.474 1.079) 4.209 12.002 ( 1.000 -2.057 -1.270) 2.616 12.640 ( 4.551 -1.584 -1.344) 5.002 12.838 ( -1.320 -2.949 1.386) 3.515 13.095 ( -4.035 -3.520 2.560) 5.935 13.142 ( -2.385 -3.953 -3.321) 5.687 13.606 ( 1.782 1.345 -0.149) 2.238 13.717 ( -2.039 0.415 -1.565) 2.604 13.910 ( 5.379 1.559 3.082) 6.393 14.074 ( 3.275 2.427 -1.667) 4.404 14.557 ( 6.713 6.395 0.547) 9.287 14.693 ( 9.211 4.023 -1.046) 10.106 14.927 ( 1.454 -0.710 3.778) 4.110 15.002 ( -2.606 -1.833 -1.877) 3.698 15.363 ( -15.328 7.474 -0.645) 17.066 15.435 ( -11.020 5.928 0.110) 12.514 15.501 ( 2.641 5.704 -1.214) 6.401 15.704 ( -5.811 5.039 0.725) 7.726 16.619 ( 1.288 0.636 7.106) 7.250 16.665 ( 4.076 2.059 -4.688) 6.544 16.788 ( 1.299 -2.492 -1.718) 3.294 16.919 ( -4.700 1.524 -1.555) 5.180 16.969 ( -0.882 0.759 2.414) 2.680 17.018 ( -1.940 -0.932 -1.565) 2.661 17.194 ( 1.626 -1.679 -1.160) 2.609 17.233 ( -0.072 -1.163 0.956) 1.507 19.762 ( 0.719 3.695 -0.027) 3.764 19.825 ( -2.099 3.210 0.046) 3.836 21.309 ( 2.143 -4.770 -1.981) 5.592 21.375 ( -1.071 -3.797 2.159) 4.498 23.113 ( 2.816 -1.749 -7.122) 7.855 23.125 ( -1.577 -1.833 6.809) 7.226 27.903 ( 1.197 0.438 -2.572) 2.870 27.939 ( -1.929 -3.077 2.612) 4.474 29.540 ( 1.756 0.786 4.067) 4.499 29.646 ( -0.314 2.058 -1.723) 2.702 29.777 ( 1.057 1.001 -2.178) 2.620 29.915 ( -4.216 0.881 -0.081) 4.308 31.003 ( 1.303 1.932 0.092) 2.332 31.049 ( -0.797 1.580 0.083) 1.771 31.570 ( 2.647 -4.845 -0.116) 5.522 31.627 ( 6.028 4.927 4.030) 8.767 31.765 ( -5.806 -3.371 -0.899) 6.774 31.845 ( -1.421 1.480 -4.204) 4.678 32.099 ( 5.577 -2.673 3.438) 7.076 32.242 ( 3.587 -2.253 -5.044) 6.587 32.417 ( -0.546 3.577 -0.160) 3.622 32.463 ( -1.822 2.918 0.917) 3.560 32.635 ( 0.914 4.456 0.663) 4.597 32.917 ( -8.352 3.575 0.347) 9.092 34.630 ( 1.150 4.915 6.217) 8.008 34.778 ( 4.274 4.235 -7.243) 9.416 34.925 ( -1.224 -6.485 -2.863) 7.194 35.239 ( -13.216 -13.509 5.029) 19.556 35.729 ( 6.604 3.556 0.354) 7.509 35.994 ( -5.045 -0.811 2.010) 5.491 36.360 ( 20.815 0.055 -1.715) 20.886 37.103 ( -12.831 -5.535 -0.138) 13.975 ======================= Grid point 181 (82/95) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -5.594 12.964 8.181) 16.319 1.588 ( -13.853 8.256 -7.515) 17.792 1.958 ( 1.573 18.825 1.229) 18.930 2.007 ( -0.780 19.588 -3.433) 19.902 2.409 ( 8.131 0.663 -3.423) 8.847 2.513 ( -3.841 0.004 2.528) 4.598 2.937 ( 2.748 5.859 7.059) 9.577 3.000 ( 1.417 7.974 -6.606) 10.452 3.107 ( 0.346 0.325 6.421) 6.438 3.187 ( -2.815 -0.084 -2.157) 3.547 3.360 ( 1.015 2.020 5.268) 5.733 3.479 ( -6.752 1.139 -3.780) 7.821 3.543 ( 1.939 -0.770 5.301) 5.697 3.599 ( -2.804 1.229 -4.148) 5.156 3.935 ( -0.194 1.029 -2.265) 2.495 3.975 ( -3.912 -2.560 6.076) 7.666 4.070 ( -1.729 2.176 2.394) 3.668 4.129 ( -2.253 1.380 -10.834) 11.151 4.309 ( 2.919 2.046 -2.572) 4.396 4.327 ( -0.354 1.946 1.126) 2.276 4.575 ( 1.409 5.172 2.912) 6.100 4.631 ( 0.488 5.055 -4.148) 6.558 4.707 ( -1.569 -1.181 -2.274) 3.004 4.726 ( -3.446 0.829 4.424) 5.669 4.970 ( 5.770 6.499 -1.146) 8.766 5.053 ( -1.835 0.086 -3.192) 3.682 5.120 ( 2.681 -3.385 6.281) 7.622 5.219 ( -3.809 -0.198 -4.707) 6.058 5.539 ( 6.611 0.659 8.700) 10.947 5.727 ( -6.860 -0.271 -6.990) 9.798 5.981 ( 7.870 -2.015 -0.353) 8.132 6.018 ( 2.934 -3.688 4.169) 6.292 6.260 ( 8.992 -8.331 -3.727) 12.812 6.441 ( -8.968 -5.245 1.017) 10.439 7.293 ( 3.227 -0.201 2.974) 4.393 7.370 ( -2.441 -1.059 -4.286) 5.045 7.581 ( 0.926 0.967 3.350) 3.607 7.619 ( -1.562 0.837 -2.727) 3.253 8.007 ( 6.777 -5.958 2.912) 9.482 8.144 ( -4.140 -5.245 -3.408) 7.501 8.559 ( 6.393 -1.686 3.590) 7.523 8.669 ( -1.070 -6.735 -1.321) 6.946 8.691 ( 5.452 -1.742 0.315) 5.732 8.764 ( -0.766 -3.051 1.567) 3.515 8.811 ( -5.455 -3.254 -2.710) 6.906 8.844 ( -6.617 -0.474 1.143) 6.732 9.402 ( 3.714 -5.945 2.526) 7.451 9.468 ( -0.897 -4.985 -3.145) 5.962 9.993 ( 6.511 -3.098 0.994) 7.279 10.093 ( -3.282 -3.243 0.578) 4.650 10.292 ( 8.012 -0.511 -2.018) 8.278 10.415 ( -5.249 0.667 0.651) 5.331 10.823 ( 4.399 2.463 -1.445) 5.244 10.927 ( -6.422 0.061 3.231) 7.189 11.113 ( 4.715 6.661 0.102) 8.162 11.271 ( -9.770 5.489 -1.251) 11.276 12.031 ( 3.617 -5.365 0.972) 6.543 12.068 ( 1.014 -4.781 -1.015) 4.992 12.728 ( 6.202 -3.434 -1.568) 7.260 12.855 ( -6.303 -3.337 1.327) 7.254 13.160 ( -0.563 -5.536 4.378) 7.080 13.196 ( -0.989 -5.444 -4.325) 7.023 13.607 ( 3.865 1.745 0.280) 4.250 13.673 ( -2.415 1.787 -1.316) 3.279 13.945 ( 6.956 2.254 0.593) 7.336 14.046 ( -1.230 1.832 -0.181) 2.214 14.514 ( 9.708 8.106 0.504) 12.657 14.675 ( 3.332 6.221 -2.242) 7.405 14.945 ( 0.751 2.409 -0.819) 2.653 15.007 ( -11.167 -1.478 1.928) 11.429 15.065 ( -8.374 6.921 4.688) 11.832 15.209 ( -13.669 4.455 -4.039) 14.934 15.435 ( 5.139 5.601 -1.876) 7.829 15.559 ( -8.128 4.572 1.661) 9.472 16.620 ( 2.434 2.217 4.298) 5.414 16.663 ( 0.555 0.904 -1.640) 1.953 16.815 ( 1.458 0.538 -0.612) 1.671 16.857 ( -2.360 0.834 -3.074) 3.965 16.968 ( 0.585 -0.228 3.168) 3.229 17.013 ( -2.292 -1.170 -1.755) 3.115 17.232 ( 2.378 -1.294 -1.404) 3.050 17.258 ( -0.764 -2.000 0.802) 2.286 19.712 ( 0.668 2.831 0.037) 2.909 19.748 ( -2.971 2.811 0.078) 4.091 21.413 ( 2.825 -4.998 -2.003) 6.081 21.442 ( -1.086 -4.421 2.074) 5.003 23.145 ( 3.304 -0.715 -5.155) 6.165 23.155 ( -0.578 -0.901 4.806) 4.923 27.922 ( 4.030 -1.457 -4.427) 6.161 27.988 ( -5.111 -5.203 4.180) 8.406 29.531 ( 1.518 3.363 5.616) 6.719 29.595 ( -1.571 1.721 -4.074) 4.694 29.796 ( 2.735 -1.546 -0.550) 3.189 29.871 ( -4.556 -0.781 -0.304) 4.632 30.973 ( 2.055 2.832 -2.175) 4.120 31.005 ( -2.490 2.231 2.154) 3.977 31.598 ( 6.789 7.003 4.726) 10.838 31.667 ( 1.089 -2.038 4.014) 4.632 31.770 ( -1.622 2.413 -9.285) 9.729 31.781 ( -4.047 -4.189 -2.093) 6.189 32.202 ( 6.532 -1.337 3.126) 7.364 32.286 ( 1.170 -1.288 -3.650) 4.043 32.343 ( 0.664 4.669 -0.775) 4.779 32.383 ( -3.884 3.659 0.423) 5.353 32.570 ( 4.093 5.900 0.362) 7.190 32.746 ( -12.083 5.523 1.598) 13.381 34.567 ( 1.286 6.350 7.560) 9.956 34.633 ( -0.088 8.135 -8.560) 11.809 35.132 ( 8.676 -10.597 -0.427) 13.703 35.343 ( -13.513 -12.060 1.687) 18.191 35.768 ( 7.617 0.212 0.251) 7.624 35.931 ( -9.489 -0.241 1.454) 9.603 36.685 ( 25.513 -12.212 1.277) 28.314 37.109 ( -17.204 -12.616 -0.761) 21.348 ======================= Grid point 182 (83/95) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( -4.311 8.594 -17.146) 19.658 1.302 ( 4.311 8.594 17.146) 19.658 1.637 ( 2.902 20.591 -14.090) 25.119 1.637 ( -2.902 20.591 14.090) 25.119 2.414 ( 9.002 5.335 -18.290) 21.072 2.414 ( -9.002 5.335 18.290) 21.072 2.913 ( 0.386 1.314 -9.486) 9.585 2.913 ( -0.386 1.314 9.486) 9.585 3.124 ( -2.734 0.905 -4.823) 5.618 3.124 ( 2.734 0.905 4.823) 5.618 3.405 ( -4.173 -1.149 -2.617) 5.058 3.405 ( 4.173 -1.149 2.617) 5.058 3.549 ( 5.744 2.848 -9.145) 11.168 3.549 ( -5.744 2.848 9.145) 11.168 3.942 ( 1.914 1.846 -10.759) 11.082 3.942 ( -1.914 1.846 10.759) 11.082 4.023 ( -1.946 4.289 -7.975) 9.262 4.023 ( 1.946 4.289 7.975) 9.262 4.310 ( -2.333 1.599 -2.312) 3.653 4.310 ( 2.333 1.599 2.312) 3.653 4.539 ( -1.667 1.875 -5.338) 5.898 4.539 ( 1.667 1.875 5.338) 5.898 4.692 ( 2.463 1.206 -4.135) 4.962 4.692 ( -2.463 1.206 4.135) 4.962 4.924 ( 3.476 5.763 -3.950) 7.804 4.924 ( -3.476 5.763 3.950) 7.804 5.248 ( 0.544 -5.182 -7.444) 9.086 5.248 ( -0.544 -5.182 7.444) 9.086 5.608 ( -4.398 2.832 -12.412) 13.469 5.608 ( 4.398 2.832 12.412) 13.469 6.076 ( 0.926 -3.088 -2.767) 4.248 6.076 ( -0.926 -3.088 2.767) 4.248 6.444 ( 0.816 -3.798 -4.996) 6.328 6.444 ( -0.816 -3.798 4.996) 6.328 7.355 ( -1.863 -1.919 -4.612) 5.331 7.355 ( 1.863 -1.919 4.612) 5.331 7.603 ( 0.157 -1.225 -5.354) 5.495 7.603 ( -0.157 -1.225 5.354) 5.495 8.150 ( -2.321 -3.390 -7.369) 8.437 8.150 ( 2.321 -3.390 7.369) 8.437 8.679 ( -3.312 -1.106 -2.050) 4.049 8.679 ( 3.312 -1.106 2.050) 4.049 8.793 ( -1.601 -1.553 -6.525) 6.896 8.793 ( 1.601 -1.553 6.525) 6.896 8.882 ( 0.598 -9.435 -1.671) 9.600 8.882 ( -0.598 -9.435 1.671) 9.600 9.532 ( -0.425 -5.572 -5.063) 7.541 9.532 ( 0.425 -5.572 5.063) 7.541 10.091 ( -3.734 -1.213 -2.842) 4.847 10.091 ( 3.734 -1.213 2.842) 4.847 10.349 ( 2.234 0.987 -4.133) 4.801 10.349 ( -2.234 0.987 4.133) 4.801 10.848 ( -2.310 1.246 -0.065) 2.625 10.848 ( 2.310 1.246 0.065) 2.625 11.088 ( -8.837 4.724 -1.987) 10.215 11.088 ( 8.837 4.724 1.987) 10.215 12.155 ( -1.289 -5.510 -1.085) 5.762 12.155 ( 1.289 -5.510 1.085) 5.762 12.858 ( -5.470 -4.547 0.211) 7.116 12.858 ( 5.470 -4.547 -0.211) 7.116 13.267 ( 0.461 -5.038 -5.564) 7.520 13.267 ( -0.461 -5.038 5.564) 7.520 13.614 ( 0.080 1.553 -2.160) 2.662 13.614 ( -0.080 1.553 2.160) 2.662 13.972 ( 2.065 2.408 -5.588) 6.425 13.972 ( -2.065 2.408 5.588) 6.425 14.479 ( -10.305 8.732 -3.255) 13.894 14.479 ( 10.305 8.732 3.255) 13.894 14.845 ( -4.000 6.104 -2.637) 7.759 14.845 ( 4.000 6.104 2.637) 7.759 15.106 ( 0.518 -2.907 -8.727) 9.214 15.106 ( -0.518 -2.907 8.727) 9.214 15.417 ( 0.510 3.560 -1.631) 3.949 15.417 ( -0.510 3.560 1.631) 3.949 16.628 ( -0.559 0.972 -4.308) 4.451 16.628 ( 0.559 0.972 4.308) 4.451 16.819 ( -1.720 0.641 -2.850) 3.390 16.819 ( 1.720 0.641 2.850) 3.390 16.996 ( -2.249 -0.051 -1.390) 2.644 16.996 ( 2.249 -0.051 1.390) 2.644 17.284 ( -2.693 -2.518 0.529) 3.724 17.284 ( 2.693 -2.518 -0.529) 3.724 19.687 ( 0.845 1.523 -3.918) 4.288 19.687 ( -0.845 1.523 3.918) 4.288 21.503 ( 1.627 -3.586 -2.211) 4.516 21.503 ( -1.627 -3.586 2.211) 4.516 23.163 ( 1.707 0.233 -4.720) 5.025 23.163 ( -1.707 0.233 4.720) 5.025 28.023 ( 8.855 -5.257 -4.840) 11.378 28.023 ( -8.855 -5.257 4.840) 11.378 29.529 ( -3.840 1.251 -4.506) 6.051 29.529 ( 3.840 1.251 4.506) 6.051 29.860 ( -0.510 -2.571 -4.174) 4.928 29.860 ( 0.510 -2.571 4.174) 4.928 30.948 ( 3.282 1.954 -3.652) 5.285 30.948 ( -3.282 1.954 3.652) 5.285 31.535 ( -5.939 10.866 -8.174) 14.838 31.535 ( 5.939 10.866 8.174) 14.838 31.811 ( -1.403 -4.229 -4.978) 6.681 31.811 ( 1.403 -4.229 4.978) 6.681 32.264 ( -3.017 2.840 -2.101) 4.646 32.264 ( 3.017 2.840 2.101) 4.646 32.293 ( -1.625 1.635 -2.045) 3.082 32.293 ( 1.625 1.635 2.045) 3.082 32.534 ( -7.784 6.358 -0.292) 10.055 32.534 ( 7.784 6.358 0.292) 10.055 34.492 ( -0.277 5.878 -6.809) 8.999 34.492 ( 0.277 5.878 6.809) 8.999 35.391 ( -10.531 -8.165 -1.030) 13.365 35.391 ( 10.531 -8.165 1.030) 13.365 35.854 ( -5.743 -0.721 -1.685) 6.028 35.854 ( 5.743 -0.721 1.685) 6.028 37.206 ( -14.710 -21.261 -7.656) 26.964 37.206 ( 14.710 -21.261 7.656) 26.964 ======================= Grid point 186 (84/95) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 10.752 -0.000 -19.782) 22.515 1.460 ( 5.124 -0.000 19.076) 19.752 1.812 ( 28.911 -0.000 -2.251) 28.998 1.926 ( 1.540 -0.000 4.425) 4.685 2.464 ( 18.169 -0.000 -36.621) 40.880 2.720 ( 13.849 -0.000 10.075) 17.126 2.937 ( 0.701 -0.000 25.976) 25.985 2.985 ( -4.512 0.000 1.936) 4.910 3.050 ( 1.689 -0.000 -4.140) 4.471 3.276 ( 4.456 -0.000 -3.995) 5.985 3.312 ( -1.421 0.000 8.872) 8.985 3.372 ( 1.514 -0.000 -9.282) 9.405 3.569 ( -3.623 0.000 -8.900) 9.609 3.583 ( 4.347 -0.000 -4.773) 6.456 3.741 ( -1.208 0.000 2.744) 2.998 3.926 ( 5.904 -0.000 -1.602) 6.118 3.951 ( -0.330 0.000 12.461) 12.466 4.172 ( 3.886 -0.000 -1.291) 4.095 4.242 ( 1.598 -0.000 -6.407) 6.603 4.348 ( 5.597 -0.000 4.517) 7.192 4.503 ( -12.362 0.000 12.837) 17.822 4.518 ( 4.150 -0.000 1.260) 4.337 4.685 ( -0.821 0.000 8.828) 8.866 4.726 ( 4.058 -0.000 -5.795) 7.075 4.889 ( 3.042 -0.000 -2.942) 4.232 4.917 ( 5.303 -0.000 -9.038) 10.478 5.288 ( 1.326 -0.000 13.340) 13.406 5.334 ( 3.262 -0.000 -0.249) 3.271 5.579 ( 5.110 -0.000 -12.062) 13.100 5.633 ( 1.396 -0.000 2.720) 3.057 5.831 ( -10.533 0.000 0.394) 10.541 5.843 ( -8.967 0.000 -3.805) 9.741 6.224 ( -12.056 0.000 -4.162) 12.754 6.251 ( -15.043 0.000 5.655) 16.071 7.158 ( -4.046 0.000 7.731) 8.726 7.540 ( -3.000 0.000 -3.249) 4.422 7.665 ( -0.042 0.000 3.935) 3.935 7.739 ( 6.600 -0.000 -5.010) 8.286 8.071 ( -6.326 0.000 -6.708) 9.221 8.203 ( -8.391 0.000 4.450) 9.498 8.334 ( -9.467 0.000 0.672) 9.490 8.406 ( -7.978 0.000 -2.164) 8.267 8.762 ( -0.740 0.000 -1.181) 1.394 8.802 ( 5.843 -0.000 -3.328) 6.725 9.033 ( -0.449 0.000 -0.578) 0.732 9.036 ( 2.215 -0.000 -6.413) 6.785 9.530 ( -4.938 0.000 -2.868) 5.711 9.541 ( -7.647 0.000 5.844) 9.625 9.832 ( -7.444 0.000 -0.582) 7.467 10.061 ( -5.611 0.000 -1.452) 5.796 10.298 ( -1.091 0.000 9.920) 9.979 10.396 ( 4.977 -0.000 -5.372) 7.323 10.793 ( 2.493 -0.000 -1.996) 3.194 10.878 ( 2.058 -0.000 -0.615) 2.148 11.188 ( 10.214 -0.000 -2.267) 10.462 11.435 ( 10.351 -0.000 2.230) 10.588 12.004 ( -7.245 0.000 -0.416) 7.257 12.075 ( -6.325 0.000 -0.174) 6.327 12.837 ( -1.711 0.000 0.399) 1.757 12.847 ( -0.682 0.000 0.455) 0.820 13.114 ( -6.892 0.000 -4.670) 8.326 13.241 ( -8.174 0.000 5.220) 9.699 13.508 ( -0.170 0.000 -0.552) 0.578 13.696 ( 1.299 -0.000 4.067) 4.270 13.875 ( 3.100 -0.000 -0.703) 3.178 14.268 ( 0.219 -0.000 -8.880) 8.883 14.548 ( 12.886 -0.000 0.078) 12.886 14.691 ( 11.248 -0.000 3.078) 11.662 14.869 ( -2.901 0.000 5.462) 6.185 15.006 ( 0.124 -0.000 -1.734) 1.739 15.471 ( 15.007 -0.000 4.024) 15.537 15.688 ( 21.965 -0.000 -13.338) 25.697 15.700 ( 10.602 -0.000 15.143) 18.485 15.746 ( 12.400 -0.000 -2.878) 12.730 16.410 ( -6.099 0.000 -0.874) 6.161 16.534 ( -5.875 0.000 0.958) 5.953 16.815 ( 2.805 -0.000 2.118) 3.515 16.866 ( -1.557 0.000 1.088) 1.900 16.964 ( -0.392 0.000 -3.907) 3.927 17.038 ( 1.013 -0.000 2.807) 2.985 17.126 ( -3.027 0.000 1.479) 3.369 17.319 ( -9.116 0.000 6.183) 11.015 19.809 ( 6.847 -0.000 2.717) 7.366 19.967 ( 12.274 -0.000 -1.075) 12.321 21.449 ( -7.774 0.000 -1.638) 7.945 21.484 ( -5.122 0.000 1.845) 5.444 22.890 ( -5.798 0.000 -6.182) 8.475 22.933 ( -8.790 0.000 6.540) 10.956 27.884 ( -2.868 0.000 6.582) 7.179 28.474 ( -13.832 0.000 -0.057) 13.832 29.455 ( 10.711 -0.000 -1.547) 10.822 29.824 ( 2.980 -0.000 -1.312) 3.256 29.849 ( -0.957 0.000 -0.568) 1.113 29.958 ( 1.352 -0.000 0.994) 1.678 30.912 ( 1.593 -0.000 4.126) 4.422 31.114 ( -0.443 0.000 2.874) 2.908 31.129 ( 0.808 -0.000 -2.371) 2.505 31.194 ( 2.311 -0.000 -2.746) 3.589 31.885 ( -5.092 0.000 5.025) 7.154 31.956 ( -3.889 0.000 -4.594) 6.019 32.053 ( 3.466 -0.000 -2.220) 4.116 32.067 ( 1.124 -0.000 2.877) 3.089 32.355 ( 2.594 -0.000 -1.344) 2.921 32.401 ( 7.308 -0.000 0.666) 7.339 32.782 ( 14.509 -0.000 12.368) 19.066 32.849 ( 9.341 -0.000 -9.913) 13.620 34.313 ( -0.728 0.000 -0.203) 0.756 34.378 ( -2.087 0.000 1.309) 2.463 35.217 ( -10.004 0.000 6.439) 11.897 35.354 ( -15.057 0.000 -12.400) 19.506 35.966 ( 6.642 -0.000 -0.147) 6.643 36.103 ( 13.538 -0.000 8.694) 16.089 37.138 ( -7.680 0.000 -19.784) 21.222 37.504 ( -13.328 0.000 4.100) 13.945 ======================= Grid point 187 (85/95) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 7.675 -10.482 -13.393) 18.659 1.642 ( 2.307 -10.711 16.377) 19.704 1.956 ( 2.140 -1.152 -1.937) 3.108 2.070 ( 25.802 0.360 0.697) 25.814 2.508 ( 10.855 1.128 -24.977) 27.257 2.721 ( 1.900 7.778 -2.135) 8.286 2.887 ( -3.042 3.583 17.605) 18.222 3.027 ( -2.199 -0.492 6.169) 6.568 3.118 ( 3.251 -1.935 3.948) 5.468 3.309 ( 4.858 -0.190 -2.199) 5.335 3.339 ( 2.838 0.462 -0.713) 2.963 3.351 ( 4.236 2.687 -9.647) 10.873 3.557 ( -2.187 -4.148 -8.030) 9.299 3.688 ( 5.855 -6.715 5.724) 10.589 3.745 ( -2.397 -2.078 1.699) 3.599 3.994 ( 4.436 -3.494 -1.725) 5.905 4.060 ( 2.944 -6.256 8.988) 11.340 4.199 ( -3.350 -1.790 -7.451) 8.363 4.217 ( 3.899 0.066 -0.898) 4.002 4.343 ( -7.401 4.926 10.330) 13.629 4.478 ( 0.628 -2.451 6.608) 7.076 4.575 ( 6.572 -0.585 -0.000) 6.598 4.702 ( 3.800 -2.009 -0.138) 4.300 4.801 ( 1.714 -3.598 0.301) 3.997 4.888 ( 4.275 3.019 -2.540) 5.817 4.934 ( 1.964 1.134 -5.741) 6.173 5.264 ( -1.619 5.365 7.141) 9.078 5.407 ( 6.727 -2.492 1.456) 7.320 5.514 ( 1.850 4.369 -6.669) 8.184 5.652 ( -5.973 6.627 0.117) 8.923 5.783 ( -2.087 -7.776 1.160) 8.135 5.822 ( -3.916 -2.908 -1.495) 5.101 6.011 ( -13.413 2.522 1.403) 13.720 6.242 ( -13.117 -8.188 -0.240) 15.465 7.160 ( -3.090 -1.220 9.521) 10.084 7.485 ( -3.030 0.963 -5.085) 5.997 7.602 ( -0.669 6.714 2.705) 7.270 7.753 ( 0.047 1.642 -3.429) 3.802 8.013 ( -1.557 -0.582 -7.015) 7.210 8.139 ( -8.189 -1.725 0.032) 8.368 8.281 ( -5.534 -1.895 2.781) 6.477 8.356 ( -5.607 -1.367 -1.998) 6.108 8.752 ( 0.995 1.348 0.632) 1.791 8.858 ( 4.801 -0.578 -1.029) 4.944 9.014 ( 0.577 1.828 -0.555) 1.995 9.042 ( 4.419 0.611 -5.922) 7.414 9.418 ( -7.274 4.931 1.178) 8.866 9.477 ( -6.382 1.806 0.451) 6.648 9.752 ( -6.608 1.159 0.806) 6.757 10.011 ( -7.291 -2.094 -2.896) 8.120 10.281 ( -0.617 3.801 8.893) 9.690 10.449 ( 3.142 -2.040 -4.172) 5.607 10.815 ( 3.998 0.024 -1.412) 4.240 10.911 ( 1.655 -1.696 -0.508) 2.423 11.283 ( 10.201 -0.181 -1.226) 10.276 11.543 ( 8.521 -1.064 1.229) 8.675 11.926 ( -5.876 1.376 0.284) 6.042 12.015 ( -4.844 0.503 -0.352) 4.883 12.756 ( 0.153 5.190 0.121) 5.193 12.865 ( -1.668 0.638 -1.049) 2.071 13.052 ( -4.949 -1.433 -2.016) 5.533 13.173 ( -9.732 -0.279 4.138) 10.579 13.521 ( 1.017 -1.212 -0.418) 1.636 13.718 ( -0.899 -0.951 5.065) 5.232 13.914 ( 4.186 -0.485 -1.949) 4.643 14.203 ( 1.897 4.438 -8.013) 9.354 14.665 ( 12.377 1.031 -0.564) 12.433 14.758 ( 5.334 2.346 3.189) 6.643 14.867 ( -1.697 -0.232 6.044) 6.282 15.020 ( 3.895 -0.123 -2.789) 4.793 15.615 ( 13.818 1.241 -0.459) 13.881 15.763 ( 10.799 4.575 3.915) 12.364 15.787 ( 8.439 2.926 -1.261) 9.021 15.858 ( 9.557 1.022 -2.295) 9.882 16.389 ( -1.210 -3.305 -2.844) 4.525 16.506 ( -4.434 -1.928 1.563) 5.081 16.836 ( 0.845 0.615 0.346) 1.101 16.870 ( -1.587 -2.273 1.404) 3.108 16.963 ( -1.076 -1.922 -2.904) 3.644 17.054 ( 1.621 0.370 2.619) 3.102 17.126 ( -1.045 -1.332 1.490) 2.255 17.225 ( -8.703 2.180 4.494) 10.035 19.878 ( 8.051 1.288 2.627) 8.566 20.032 ( 11.271 4.899 -1.985) 12.449 21.353 ( -8.776 1.111 -2.362) 9.156 21.419 ( -6.750 1.607 2.567) 7.398 22.865 ( -3.952 -4.459 -6.865) 9.090 22.907 ( -7.443 -3.464 7.804) 11.326 27.880 ( -1.662 0.071 5.731) 5.967 28.280 ( -10.245 6.319 -4.787) 12.954 29.518 ( 7.715 2.118 -2.404) 8.353 29.730 ( 0.656 6.131 0.815) 6.220 29.902 ( 0.675 -0.811 1.261) 1.645 29.998 ( 2.840 -1.709 -0.243) 3.323 30.949 ( 3.845 -0.170 2.309) 4.488 31.086 ( 3.126 1.615 -2.501) 4.317 31.161 ( -1.140 -4.358 1.632) 4.791 31.338 ( -2.809 -11.464 -0.212) 11.805 31.853 ( -4.511 0.125 3.325) 5.606 31.871 ( -3.778 2.112 -2.171) 4.842 32.041 ( 0.935 2.626 1.658) 3.243 32.122 ( 1.309 -1.762 -1.334) 2.569 32.392 ( 4.117 -1.174 -0.672) 4.334 32.487 ( 8.359 -0.375 1.196) 8.452 32.835 ( 7.441 4.037 -2.674) 8.878 32.982 ( 5.654 -3.462 5.578) 8.664 34.337 ( 0.302 -3.167 -0.466) 3.215 34.393 ( -2.203 -3.707 1.679) 4.628 35.073 ( -8.384 4.787 0.012) 9.655 35.259 ( -12.812 -5.015 -6.320) 15.140 36.023 ( 9.100 1.919 -0.976) 9.352 36.240 ( 10.192 1.353 9.519) 14.012 36.830 ( -1.180 19.853 -14.669) 24.712 37.417 ( -12.338 -0.536 1.737) 12.471 ======================= Grid point 188 (86/95) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 4.934 -14.383 -5.205) 16.072 1.910 ( -1.357 -13.839 9.667) 16.936 2.008 ( 6.346 -3.703 -7.448) 10.462 2.236 ( 12.711 4.620 3.001) 13.854 2.476 ( 6.626 7.238 2.481) 10.121 2.663 ( 4.425 -1.308 -12.475) 13.301 2.863 ( -2.521 -0.805 3.265) 4.202 3.031 ( 2.884 1.639 9.232) 9.810 3.103 ( -4.815 4.411 1.469) 6.693 3.268 ( 3.496 4.894 -9.295) 11.071 3.379 ( 6.850 1.613 -0.652) 7.067 3.389 ( 2.926 -4.991 -0.840) 5.846 3.591 ( -0.824 -4.091 -7.596) 8.667 3.733 ( -5.009 -0.872 1.823) 5.401 3.863 ( 2.893 -3.016 4.504) 6.144 4.036 ( -5.623 3.199 1.012) 6.548 4.175 ( -5.089 -2.332 6.353) 8.468 4.212 ( -3.470 -7.114 -0.438) 7.927 4.263 ( 7.796 -4.687 3.997) 9.935 4.356 ( 3.430 -5.905 -1.412) 6.974 4.553 ( -1.081 -5.632 3.340) 6.636 4.640 ( 3.070 -1.245 -3.792) 5.035 4.797 ( 3.873 6.000 2.414) 7.539 4.817 ( 6.671 -2.603 -3.127) 7.814 4.848 ( -3.292 4.116 -0.349) 5.282 4.928 ( 5.159 -2.749 -2.588) 6.393 5.196 ( -1.078 2.101 5.420) 5.912 5.394 ( 0.238 6.616 -2.708) 7.153 5.491 ( 0.170 6.858 -4.153) 8.019 5.570 ( 7.273 -3.327 5.058) 9.463 5.764 ( -7.117 -0.154 -2.975) 7.716 5.848 ( -4.012 -4.609 -0.997) 6.192 5.987 ( -3.706 -3.305 5.011) 7.055 6.243 ( -12.876 -6.699 -1.701) 14.614 7.196 ( -0.530 -2.074 7.994) 8.275 7.447 ( -0.826 -0.791 -6.968) 7.061 7.495 ( -1.920 4.756 5.287) 7.366 7.695 ( -3.841 0.526 -2.611) 4.674 7.990 ( 3.314 3.261 -5.640) 7.309 8.089 ( -3.800 2.181 1.251) 4.557 8.296 ( -3.967 -4.097 1.420) 5.877 8.337 ( -6.413 -4.630 -2.950) 8.442 8.741 ( 2.625 2.373 1.396) 3.804 8.883 ( 0.802 1.036 0.518) 1.409 8.993 ( 1.976 1.765 0.053) 2.650 9.064 ( 5.774 1.065 -4.923) 7.662 9.255 ( -7.963 5.894 1.924) 10.092 9.372 ( -4.935 3.430 -1.908) 6.306 9.697 ( -4.196 -0.789 2.697) 5.051 9.974 ( -6.717 -2.736 -4.559) 8.566 10.234 ( 0.886 4.263 8.317) 9.388 10.471 ( -0.318 -0.357 -4.234) 4.260 10.861 ( 4.297 -0.868 0.244) 4.390 10.953 ( 1.402 -1.392 -0.794) 2.130 11.365 ( 8.843 1.394 -0.373) 8.960 11.614 ( 4.446 0.926 0.486) 4.567 11.865 ( -3.532 0.609 1.128) 3.757 11.971 ( -3.587 -0.428 -1.033) 3.758 12.686 ( 2.337 4.331 -0.622) 4.961 12.810 ( -1.050 2.449 -0.765) 2.772 13.044 ( -4.132 -1.739 0.415) 4.503 13.094 ( -9.513 -0.726 1.404) 9.643 13.558 ( 1.377 -1.738 -0.389) 2.252 13.734 ( -2.745 -1.102 4.228) 5.160 13.947 ( 5.025 1.065 -2.312) 5.633 14.144 ( 3.228 2.906 -5.119) 6.713 14.725 ( 4.835 2.384 1.558) 5.612 14.776 ( 8.954 2.630 0.748) 9.362 14.866 ( -1.949 0.331 6.450) 6.746 15.056 ( 6.843 1.400 -4.332) 8.219 15.668 ( 10.799 5.695 -2.783) 12.522 15.743 ( 3.327 5.798 -0.456) 6.700 15.774 ( -0.170 3.959 4.022) 5.647 15.905 ( 6.776 2.028 -1.882) 7.319 16.475 ( 4.302 -5.268 -5.894) 9.000 16.523 ( -1.971 -3.446 3.972) 5.616 16.816 ( -0.144 1.601 -1.700) 2.340 16.910 ( -1.262 -3.174 1.745) 3.835 16.981 ( -2.333 -2.618 -1.526) 3.824 17.058 ( -1.411 1.503 1.087) 2.330 17.126 ( -2.322 0.186 0.362) 2.358 17.161 ( -1.955 -1.008 4.372) 4.894 19.925 ( 7.478 3.088 2.250) 8.398 20.022 ( 7.903 6.102 -2.299) 10.246 21.248 ( -6.957 1.020 -2.841) 7.583 21.333 ( -7.237 1.153 3.073) 7.946 22.910 ( -1.343 -6.168 -7.880) 10.097 22.942 ( -6.056 -5.181 8.620) 11.740 27.883 ( -0.617 0.049 4.272) 4.317 28.090 ( -5.197 5.561 -4.842) 9.021 29.534 ( 4.522 1.661 -2.442) 5.401 29.667 ( 0.707 2.590 1.394) 3.025 29.903 ( 2.194 2.369 0.595) 3.283 30.036 ( 0.814 -0.057 0.314) 0.875 30.996 ( 4.298 -0.030 1.251) 4.476 31.098 ( 2.792 0.294 -2.144) 3.532 31.243 ( -0.229 -6.106 -0.459) 6.128 31.480 ( -5.659 -9.965 1.611) 11.572 31.794 ( -0.576 2.390 -0.764) 2.574 31.851 ( -4.631 -2.686 1.418) 5.538 32.009 ( 0.983 2.925 4.093) 5.126 32.137 ( 0.260 -0.704 -3.852) 3.925 32.455 ( 4.409 -1.023 0.328) 4.538 32.559 ( 6.496 1.068 1.650) 6.786 32.815 ( 4.459 3.735 -3.790) 6.942 33.052 ( -0.720 -0.273 5.190) 5.246 34.419 ( 1.734 -5.991 -1.970) 6.541 34.467 ( -2.422 -6.894 3.089) 7.933 34.946 ( -4.217 2.878 -1.905) 5.449 35.193 ( -12.921 -2.856 -2.839) 13.534 36.064 ( 9.332 3.410 -1.788) 10.095 36.249 ( 2.421 10.386 7.758) 13.188 36.524 ( 10.576 14.102 -8.486) 19.564 37.276 ( -12.384 3.489 0.601) 12.880 ======================= Grid point 189 (87/95) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.907 ( 1.538 -5.540 -2.185) 6.151 2.019 ( -0.642 -1.358 -1.011) 1.811 2.139 ( 1.618 -1.672 -1.235) 2.635 2.277 ( 7.907 -3.041 -3.573) 9.195 2.494 ( 6.760 -1.393 12.402) 14.193 2.680 ( 9.292 5.990 0.082) 11.055 2.853 ( -5.597 3.005 -2.363) 6.778 2.991 ( -5.602 -1.956 2.987) 6.643 3.107 ( 4.181 -3.987 -0.899) 5.847 3.207 ( 1.404 0.871 -6.263) 6.477 3.411 ( 7.290 2.581 -1.807) 7.942 3.490 ( 1.226 -2.180 2.372) 3.447 3.627 ( 0.007 -3.068 -7.058) 7.696 3.711 ( -5.884 -4.063 3.122) 7.802 3.874 ( 0.993 6.677 2.975) 7.377 3.904 ( -3.718 2.097 3.194) 5.331 4.144 ( -7.818 0.386 -0.645) 7.854 4.244 ( -10.841 0.039 -3.904) 11.523 4.390 ( 2.579 -4.327 6.901) 8.544 4.500 ( 2.820 -7.525 -5.645) 9.821 4.577 ( -4.203 1.011 2.944) 5.230 4.636 ( -0.512 1.286 -6.475) 6.622 4.768 ( 0.344 2.012 7.641) 7.909 4.807 ( 5.221 -0.482 -1.003) 5.338 4.900 ( 3.768 -0.026 -1.130) 3.934 5.012 ( 1.116 -0.378 -1.199) 1.681 5.233 ( 8.958 -3.726 2.363) 9.985 5.318 ( 4.835 4.165 1.328) 6.518 5.409 ( 2.998 2.338 -2.063) 4.325 5.671 ( -1.321 -1.358 0.166) 1.902 5.759 ( 1.944 -5.065 -0.214) 5.429 5.862 ( -2.967 -0.241 0.064) 2.978 5.996 ( -3.176 -1.438 2.023) 4.030 6.218 ( -12.866 -6.228 -1.888) 14.418 7.248 ( 2.417 -0.543 3.104) 3.971 7.400 ( -4.201 1.476 1.640) 4.745 7.522 ( 4.416 -5.211 -2.909) 7.424 7.684 ( -2.821 -3.108 1.431) 4.434 7.916 ( 3.109 7.695 -2.033) 8.545 8.000 ( -2.524 4.507 0.508) 5.190 8.342 ( -2.478 -5.772 -4.253) 7.586 8.377 ( -5.176 -6.797 1.019) 8.604 8.730 ( 3.551 3.064 1.079) 4.813 8.847 ( -0.907 3.166 1.720) 3.716 8.966 ( -0.650 3.557 -1.760) 4.021 9.048 ( -0.676 5.218 -1.318) 5.425 9.137 ( -1.009 0.237 2.565) 2.767 9.293 ( -2.672 -0.173 -3.467) 4.380 9.730 ( 0.907 -3.928 3.523) 5.354 9.953 ( -5.404 -3.383 -4.648) 7.890 10.222 ( 3.944 2.325 6.872) 8.257 10.443 ( -2.857 0.070 -4.101) 4.998 10.914 ( 2.475 -0.802 2.071) 3.325 10.965 ( 0.948 1.033 -1.960) 2.410 11.390 ( 6.775 4.516 -0.194) 8.144 11.588 ( -1.121 4.200 0.621) 4.391 11.849 ( -1.198 -1.133 1.390) 2.157 11.954 ( -3.109 -1.520 -1.522) 3.781 12.659 ( 5.015 2.551 -1.560) 5.839 12.789 ( 1.469 0.531 1.202) 1.971 13.006 ( -8.040 -1.499 1.755) 8.364 13.053 ( -4.974 -1.989 -1.747) 5.634 13.598 ( 1.845 -1.343 -0.607) 2.361 13.722 ( -3.734 -0.185 2.047) 4.262 13.969 ( 6.117 1.752 -0.460) 6.380 14.128 ( 1.544 1.086 -2.898) 3.459 14.721 ( 4.318 2.732 1.169) 5.242 14.827 ( 8.021 1.954 0.534) 8.273 14.869 ( 0.480 0.550 6.634) 6.674 15.059 ( 5.058 3.436 -5.790) 8.422 15.597 ( -0.695 7.724 -1.909) 7.987 15.657 ( -3.517 5.928 -0.005) 6.893 15.706 ( 4.969 6.402 2.539) 8.493 15.878 ( 0.159 4.805 -1.266) 4.971 16.560 ( 3.389 -3.203 -2.299) 5.199 16.627 ( 2.188 -5.979 2.092) 6.702 16.774 ( 0.196 2.699 -2.320) 3.564 16.950 ( -3.298 -1.743 -0.204) 3.736 16.963 ( -4.209 0.117 0.065) 4.211 17.011 ( -2.335 -0.105 1.957) 3.049 17.137 ( 1.937 -0.990 -1.138) 2.455 17.184 ( -1.083 -1.602 2.555) 3.204 19.919 ( 4.587 5.225 1.421) 7.097 19.969 ( 3.198 5.857 -1.508) 6.842 21.197 ( -2.258 -1.575 -2.538) 3.744 21.280 ( -5.759 -1.477 2.700) 6.530 22.986 ( 1.008 -5.697 -8.503) 10.285 23.004 ( -4.630 -5.170 8.765) 11.180 27.891 ( 0.059 -0.065 2.733) 2.734 27.972 ( -2.260 3.161 -3.084) 4.961 29.546 ( 3.343 0.610 -0.005) 3.398 29.655 ( -0.484 -0.134 0.089) 0.510 29.875 ( 3.051 3.818 -0.873) 4.964 30.006 ( -2.326 2.941 0.657) 3.807 31.032 ( 2.969 0.429 1.407) 3.313 31.099 ( 1.092 1.178 -1.803) 2.415 31.363 ( 3.278 -7.129 -2.432) 8.215 31.572 ( -6.643 -7.437 2.957) 10.401 31.767 ( 1.131 1.617 0.794) 2.127 31.855 ( -2.923 -1.499 -1.842) 3.767 32.011 ( 2.233 -0.278 7.082) 7.431 32.147 ( 0.466 -2.245 -6.640) 7.025 32.494 ( 3.138 1.158 0.741) 3.426 32.571 ( 2.043 3.070 1.688) 4.056 32.783 ( 4.653 4.033 -2.304) 6.574 33.017 ( -5.139 2.189 2.521) 6.128 34.557 ( 3.252 -8.608 -3.169) 9.732 34.586 ( -1.865 -8.169 4.610) 9.563 34.881 ( -1.291 1.265 -3.006) 3.508 35.089 ( -12.819 0.094 0.044) 12.819 36.047 ( 5.637 13.879 -2.537) 15.193 36.068 ( 3.402 5.080 2.753) 6.705 36.486 ( 14.506 6.343 -1.059) 15.868 37.090 ( -14.052 3.388 0.145) 14.455 ======================= Grid point 190 (88/95) ======================= q-point: (-0.33 0.22 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -2.512 8.557 2.971) 9.400 1.896 ( -3.054 9.461 -5.385) 11.307 2.269 ( 7.163 -4.714 -2.836) 9.032 2.336 ( 1.089 -1.034 0.230) 1.519 2.537 ( 6.926 9.607 -0.950) 11.882 2.628 ( -2.781 11.299 8.975) 14.695 2.850 ( 5.664 -9.874 2.989) 11.769 3.007 ( -5.088 -3.842 -4.487) 7.796 3.190 ( 2.167 -4.815 2.947) 6.047 3.268 ( -1.937 -5.289 -5.273) 7.716 3.408 ( 6.399 3.860 -5.121) 9.060 3.449 ( -2.631 5.852 8.815) 10.903 3.647 ( 4.055 3.138 -3.448) 6.179 3.751 ( -7.406 0.548 1.559) 7.588 3.828 ( 0.590 -2.716 -2.520) 3.752 3.852 ( -0.800 -0.188 3.724) 3.814 4.025 ( -5.968 1.069 3.070) 6.796 4.120 ( -9.196 0.085 -6.310) 11.153 4.445 ( 2.699 2.326 2.498) 4.352 4.527 ( -3.952 3.943 -2.021) 5.938 4.565 ( 1.551 -0.891 1.133) 2.118 4.603 ( -0.314 -0.573 -4.327) 4.376 4.783 ( 2.164 0.226 -0.261) 2.191 4.822 ( -2.511 0.055 2.161) 3.313 4.922 ( 2.411 -0.144 3.380) 4.155 4.975 ( -1.020 0.766 -2.237) 2.575 5.275 ( 9.976 6.472 -3.185) 12.311 5.406 ( -2.786 2.522 1.611) 4.088 5.482 ( 9.477 -5.608 3.896) 11.682 5.655 ( -6.300 -3.146 -2.520) 7.479 5.849 ( 2.379 -2.885 2.833) 4.691 5.896 ( 5.497 -3.875 0.718) 6.763 6.021 ( 1.781 -4.296 -3.015) 5.543 6.208 ( -13.323 -7.562 0.134) 15.320 7.283 ( 2.920 -0.227 1.756) 3.414 7.355 ( -3.658 -0.220 -0.981) 3.794 7.655 ( 5.117 -2.473 -3.558) 6.706 7.704 ( -2.015 0.929 3.591) 4.221 7.836 ( 4.309 2.190 1.435) 5.043 7.935 ( -4.247 -2.251 -1.395) 5.005 8.426 ( 0.015 -6.800 -1.039) 6.879 8.458 ( -2.829 -6.913 -0.149) 7.471 8.707 ( 3.663 3.961 0.826) 5.458 8.781 ( -2.440 3.046 -0.528) 3.938 8.867 ( -0.816 5.592 1.547) 5.859 8.922 ( -4.304 4.781 -1.658) 6.643 9.213 ( 4.306 -4.524 2.460) 6.713 9.302 ( -2.732 -4.322 -3.235) 6.050 9.847 ( 4.828 -5.187 2.427) 7.490 9.960 ( -4.863 -4.415 -2.267) 6.949 10.271 ( 6.557 -0.093 3.847) 7.602 10.401 ( -4.710 -0.693 -3.068) 5.664 10.930 ( 0.530 2.771 -0.000) 2.821 10.936 ( 0.177 0.591 0.394) 0.732 11.348 ( 5.831 7.019 -0.587) 9.144 11.466 ( -6.114 6.132 0.623) 8.681 11.891 ( 1.867 -2.937 1.439) 3.766 11.952 ( -2.780 -2.437 -1.578) 4.020 12.685 ( 7.089 0.782 -2.197) 7.463 12.791 ( -3.488 -0.156 2.847) 4.506 13.001 ( -2.109 -3.953 0.184) 4.484 13.045 ( -4.177 -3.222 -1.283) 5.429 13.633 ( 2.682 -0.440 -0.314) 2.736 13.692 ( -3.259 -0.076 0.036) 3.260 14.004 ( 6.204 1.523 2.311) 6.794 14.104 ( -1.665 1.064 -2.692) 3.339 14.736 ( 8.958 3.225 0.019) 9.521 14.850 ( 1.991 1.938 1.123) 2.997 14.897 ( 2.705 0.139 5.881) 6.475 15.007 ( 0.695 3.706 -6.189) 7.247 15.412 ( -4.684 10.501 0.202) 11.500 15.472 ( -8.049 9.285 -0.301) 12.292 15.652 ( 5.641 6.963 0.414) 8.970 15.755 ( -4.575 6.579 -0.294) 8.019 16.641 ( 3.355 -2.021 2.633) 4.719 16.714 ( -2.063 -0.377 -3.221) 3.844 16.753 ( 5.645 -1.452 -0.185) 5.832 16.873 ( -7.115 0.336 -0.008) 7.123 16.976 ( 0.365 -0.118 0.134) 0.407 16.996 ( -1.724 0.283 0.415) 1.796 17.177 ( 2.015 -1.768 -1.084) 2.892 17.205 ( -1.428 -1.642 1.340) 2.555 19.857 ( 2.086 5.766 0.207) 6.135 19.884 ( -0.578 5.410 -0.255) 5.447 21.244 ( 1.973 -4.504 -2.078) 5.338 21.291 ( -3.706 -4.105 2.207) 5.955 23.062 ( 2.450 -4.311 -8.293) 9.663 23.070 ( -3.314 -4.212 8.262) 9.848 27.902 ( 0.008 -0.423 1.752) 1.803 27.919 ( -0.609 0.913 -1.808) 2.115 29.578 ( 3.195 -0.044 2.265) 3.917 29.645 ( -2.186 -0.036 -1.474) 2.637 29.837 ( 3.802 3.772 -1.609) 5.592 29.914 ( -4.402 3.703 0.698) 5.795 31.044 ( 1.469 1.251 1.829) 2.658 31.072 ( -0.217 1.767 -1.832) 2.555 31.514 ( 5.562 -6.248 -2.238) 8.659 31.625 ( -6.842 -5.746 2.883) 9.388 31.755 ( 3.653 2.711 0.698) 4.602 31.829 ( -3.116 0.581 -1.373) 3.454 32.099 ( 3.715 -3.832 6.467) 8.385 32.183 ( -0.131 -4.070 -7.589) 8.612 32.478 ( 1.562 3.455 0.432) 3.817 32.512 ( -1.582 4.267 1.020) 4.664 32.758 ( 6.660 4.946 -0.695) 8.325 32.905 ( -8.155 4.038 0.842) 9.139 34.702 ( 1.952 -2.953 5.113) 6.219 34.751 ( 2.994 -11.199 -0.365) 11.598 34.845 ( 1.559 1.958 -10.567) 10.860 34.977 ( -12.968 -2.844 5.734) 14.462 35.904 ( 6.515 8.904 -0.223) 11.035 35.996 ( -2.939 4.980 0.616) 5.816 36.565 ( 18.820 2.304 -0.510) 18.967 36.914 ( -16.902 0.006 0.024) 16.902 ======================= Grid point 191 (89/95) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 0.797 12.253 -10.139) 15.924 1.672 ( -0.797 12.253 10.139) 15.924 2.266 ( 2.021 12.211 -3.702) 12.919 2.266 ( -2.021 12.211 3.702) 12.919 2.472 ( 8.548 1.575 -13.961) 16.446 2.472 ( -8.548 1.575 13.961) 16.446 3.026 ( 1.753 -2.974 -3.589) 4.980 3.026 ( -1.753 -2.974 3.589) 4.980 3.211 ( 0.121 6.936 -9.279) 11.586 3.211 ( -0.121 6.936 9.279) 11.586 3.422 ( 1.626 -1.608 -7.990) 8.311 3.422 ( -1.626 -1.608 7.990) 8.311 3.590 ( 0.462 4.786 -4.978) 6.921 3.590 ( -0.462 4.786 4.978) 6.921 3.909 ( 1.966 -3.912 -6.588) 7.910 3.909 ( -1.966 -3.912 6.588) 7.910 4.062 ( -1.486 -2.753 -7.722) 8.331 4.062 ( 1.486 -2.753 7.722) 8.331 4.391 ( 2.560 6.137 -3.367) 7.453 4.391 ( -2.560 6.137 3.367) 7.453 4.619 ( 0.974 -2.555 -3.792) 4.675 4.619 ( -0.974 -2.555 3.792) 4.675 4.756 ( 3.568 4.589 -4.247) 7.199 4.756 ( -3.568 4.589 4.247) 7.199 4.992 ( 0.222 -4.023 -6.534) 7.676 4.992 ( -0.222 -4.023 6.534) 7.676 5.242 ( -6.160 7.925 -2.120) 10.258 5.242 ( 6.160 7.925 2.120) 10.258 5.622 ( -4.305 -1.600 -9.636) 10.674 5.622 ( 4.305 -1.600 9.636) 10.674 5.971 ( -0.827 -4.316 -3.610) 5.687 5.971 ( 0.827 -4.316 3.610) 5.687 6.212 ( -7.106 -8.367 -1.688) 11.106 6.212 ( 7.106 -8.367 1.688) 11.106 7.325 ( -2.185 -0.463 -4.078) 4.649 7.325 ( 2.185 -0.463 4.078) 4.649 7.638 ( 1.202 3.714 -3.470) 5.223 7.638 ( -1.202 3.714 3.470) 5.223 7.972 ( -6.885 -7.275 -1.636) 10.149 7.972 ( 6.885 -7.275 1.636) 10.149 8.545 ( -0.783 -5.755 -2.429) 6.296 8.545 ( 0.783 -5.755 2.429) 6.296 8.706 ( -5.492 0.048 0.312) 5.501 8.706 ( 5.492 0.048 -0.312) 5.501 8.813 ( -1.786 3.034 -3.002) 4.627 8.813 ( 1.786 3.034 3.002) 4.627 9.349 ( -1.314 -5.658 -5.231) 7.817 9.349 ( 1.314 -5.658 5.231) 7.817 9.985 ( -3.621 -4.562 -1.482) 6.009 9.985 ( 3.621 -4.562 1.482) 6.009 10.354 ( -2.932 -0.726 -4.470) 5.395 10.354 ( 2.932 -0.726 4.470) 5.395 10.901 ( 2.537 2.064 -4.074) 5.224 10.901 ( -2.537 2.064 4.074) 5.224 11.289 ( -7.622 6.897 0.171) 10.280 11.289 ( 7.622 6.897 -0.171) 10.280 11.979 ( -2.325 -4.251 -1.314) 5.021 11.979 ( 2.325 -4.251 1.314) 5.021 12.751 ( -7.408 -1.286 2.032) 7.788 12.751 ( 7.408 -1.286 -2.032) 7.788 13.083 ( 0.105 -5.091 -5.072) 7.187 13.083 ( -0.105 -5.091 5.072) 7.187 13.660 ( -2.896 0.479 -1.218) 3.178 13.660 ( 2.896 0.479 1.218) 3.178 14.042 ( -3.228 1.599 -4.814) 6.012 14.042 ( 3.228 1.599 4.814) 6.012 14.760 ( -6.228 6.353 -2.630) 9.277 14.760 ( 6.228 6.352 2.630) 9.277 14.942 ( -1.669 -0.645 -4.618) 4.953 14.942 ( 1.669 -0.645 4.618) 4.953 15.223 ( -5.306 10.654 -3.613) 12.439 15.223 ( 5.306 10.654 3.613) 12.439 15.591 ( -6.028 6.626 0.488) 8.971 15.591 ( 6.028 6.626 -0.488) 8.971 16.677 ( 0.214 1.315 -6.554) 6.688 16.677 ( -0.214 1.315 6.554) 6.688 16.829 ( -2.689 -1.100 -0.591) 2.964 16.829 ( 2.689 -1.100 0.591) 2.964 16.979 ( -0.317 0.010 -2.933) 2.950 16.979 ( 0.317 0.010 2.933) 2.950 17.221 ( 1.245 -1.647 -1.280) 2.429 17.221 ( -1.245 -1.647 1.280) 2.429 19.787 ( 1.253 4.479 -4.602) 6.543 19.787 ( -1.253 4.479 4.602) 6.543 21.347 ( 1.850 -5.259 -3.024) 6.343 21.347 ( -1.850 -5.259 3.024) 6.343 23.124 ( 2.738 -2.755 -7.634) 8.566 23.124 ( -2.738 -2.755 7.634) 8.566 27.917 ( 1.879 -1.222 -2.781) 3.572 27.917 ( -1.879 -1.222 2.781) 3.572 29.603 ( -1.415 1.663 -4.665) 5.150 29.603 ( 1.415 1.663 4.665) 5.150 29.828 ( -1.095 1.336 -1.704) 2.426 29.828 ( 1.095 1.336 1.704) 2.426 31.029 ( 0.073 2.227 -1.850) 2.896 31.029 ( -0.073 2.227 1.850) 2.896 31.651 ( -1.572 -4.130 -4.491) 6.300 31.651 ( 1.572 -4.130 4.491) 6.300 31.759 ( -3.833 2.553 -5.639) 7.281 31.759 ( 3.833 2.553 5.639) 7.281 32.218 ( -3.007 -3.675 -5.506) 7.271 32.218 ( 3.007 -3.675 5.506) 7.271 32.424 ( -0.424 4.315 -0.307) 4.346 32.424 ( 0.424 4.315 0.307) 4.346 32.742 ( -2.526 5.656 -4.307) 7.545 32.742 ( 2.526 5.656 4.307) 7.545 34.716 ( -1.173 5.966 -11.315) 12.845 34.716 ( 1.173 5.966 11.315) 12.845 35.023 ( -0.002 -12.283 -7.230) 14.253 35.023 ( 0.002 -12.283 7.230) 14.253 35.871 ( -1.055 3.210 -5.067) 6.090 35.871 ( 1.055 3.210 5.067) 6.090 36.774 ( -20.161 -4.827 -0.492) 20.737 36.774 ( 20.161 -4.827 0.492) 20.737 ======================= Grid point 197 (90/95) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 10.120 -0.000 -12.612) 16.170 1.613 ( 0.353 -0.000 17.654) 17.657 1.977 ( 3.525 -0.000 0.080) 3.526 2.286 ( 18.174 -0.000 2.561) 18.353 2.493 ( 5.432 -0.000 -31.384) 31.851 2.848 ( -1.959 0.000 0.663) 2.069 2.921 ( -3.382 0.000 2.463) 4.183 2.924 ( -7.335 0.000 15.703) 17.332 3.162 ( -0.048 0.000 12.280) 12.280 3.339 ( 1.872 -0.000 -10.582) 10.746 3.369 ( 6.338 -0.000 -7.308) 9.674 3.441 ( 10.426 -0.000 -0.640) 10.445 3.505 ( 3.144 -0.000 -6.342) 7.078 3.690 ( -6.438 0.000 2.008) 6.744 3.709 ( 6.424 -0.000 11.014) 12.750 3.988 ( 3.746 -0.000 -5.914) 7.000 4.086 ( 6.007 -0.000 10.701) 12.272 4.117 ( -5.287 0.000 -7.994) 9.584 4.241 ( 2.628 -0.000 -2.249) 3.458 4.293 ( -12.609 0.000 13.076) 18.165 4.546 ( 7.497 -0.000 3.309) 8.195 4.658 ( 9.365 -0.000 -2.078) 9.593 4.723 ( -0.288 0.000 6.745) 6.751 4.738 ( 1.716 -0.000 -8.187) 8.365 4.964 ( 4.943 -0.000 -8.763) 10.061 4.984 ( 7.174 -0.000 2.651) 7.648 5.314 ( -6.088 0.000 9.459) 11.249 5.443 ( 7.087 -0.000 -1.967) 7.355 5.599 ( 0.181 -0.000 -4.327) 4.330 5.644 ( -0.879 0.000 0.994) 1.327 5.696 ( -3.418 0.000 2.596) 4.292 5.738 ( -0.357 0.000 -2.838) 2.860 5.973 ( -10.828 0.000 -1.870) 10.988 5.975 ( -14.461 0.000 2.199) 14.627 7.151 ( -3.244 0.000 12.330) 12.750 7.428 ( -5.289 0.000 -8.697) 10.179 7.682 ( -0.879 0.000 4.183) 4.274 7.755 ( -0.663 0.000 -6.093) 6.129 7.932 ( -5.346 0.000 -2.443) 5.878 8.005 ( -9.070 0.000 -5.653) 10.688 8.253 ( 0.761 -0.000 -0.047) 0.762 8.334 ( -1.488 0.000 2.647) 3.037 8.785 ( 2.098 -0.000 3.645) 4.206 8.906 ( 5.471 -0.000 -2.762) 6.129 9.034 ( 1.092 -0.000 0.869) 1.396 9.069 ( 4.773 -0.000 -5.978) 7.650 9.408 ( -8.982 0.000 4.275) 9.947 9.417 ( -5.133 0.000 -2.905) 5.898 9.712 ( -5.312 0.000 1.155) 5.436 9.899 ( -9.188 0.000 -3.539) 9.846 10.336 ( -1.567 0.000 11.471) 11.577 10.446 ( 3.607 -0.000 -7.476) 8.301 10.850 ( 3.871 -0.000 -0.084) 3.872 10.910 ( 1.843 -0.000 -1.655) 2.477 11.381 ( 10.912 -0.000 -0.064) 10.912 11.617 ( 8.071 -0.000 0.580) 8.092 11.881 ( -5.991 0.000 0.307) 5.999 11.970 ( -4.947 0.000 -0.411) 4.964 12.813 ( 0.118 -0.000 -4.006) 4.008 12.858 ( 0.882 -0.000 1.535) 1.770 12.986 ( -4.271 0.000 -1.450) 4.510 13.086 ( -10.889 0.000 5.335) 12.125 13.526 ( 2.483 -0.000 -1.113) 2.721 13.698 ( -3.919 0.000 6.142) 7.286 13.958 ( 6.557 -0.000 -2.575) 7.045 14.220 ( 0.061 -0.000 -8.651) 8.651 14.752 ( 3.582 -0.000 1.472) 3.873 14.804 ( -0.553 0.000 1.592) 1.686 14.910 ( 7.449 -0.000 5.355) 9.174 15.077 ( 8.305 -0.000 -2.417) 8.650 15.760 ( 14.332 -0.000 -0.541) 14.342 15.856 ( -0.240 0.000 8.200) 8.204 15.886 ( 5.312 -0.000 -2.319) 5.796 15.965 ( 9.914 -0.000 -6.183) 11.684 16.348 ( 2.683 -0.000 -5.280) 5.923 16.451 ( -4.243 0.000 3.908) 5.768 16.821 ( -3.250 0.000 1.581) 3.614 16.852 ( -0.090 0.000 1.102) 1.106 16.929 ( 0.202 -0.000 -5.508) 5.512 17.078 ( 0.210 -0.000 3.368) 3.374 17.117 ( 0.934 -0.000 0.140) 0.944 17.171 ( -8.784 0.000 5.721) 10.482 19.981 ( 9.394 -0.000 2.748) 9.788 20.180 ( 10.006 -0.000 -1.627) 10.138 21.268 ( -8.793 0.000 -2.639) 9.180 21.367 ( -8.475 0.000 2.449) 8.821 22.776 ( -1.888 0.000 -7.065) 7.313 22.830 ( -6.768 0.000 8.129) 10.578 27.885 ( -0.939 0.000 5.926) 6.000 28.207 ( -10.587 0.000 -6.455) 12.400 29.603 ( 5.531 -0.000 -0.986) 5.618 29.816 ( -2.619 0.000 0.606) 2.688 29.876 ( 3.206 -0.000 1.142) 3.403 30.002 ( 1.625 -0.000 0.420) 1.679 31.002 ( 6.049 -0.000 1.215) 6.170 31.120 ( -0.627 0.000 2.987) 3.052 31.130 ( 0.794 -0.000 -2.581) 2.701 31.221 ( 1.845 -0.000 -1.897) 2.646 31.801 ( -6.298 0.000 4.802) 7.920 31.840 ( -5.111 0.000 -3.629) 6.269 32.099 ( 0.390 -0.000 2.928) 2.954 32.112 ( 3.281 -0.000 -2.895) 4.375 32.423 ( 5.482 -0.000 -0.018) 5.482 32.574 ( 8.907 -0.000 1.646) 9.058 32.905 ( 3.363 -0.000 -10.059) 10.606 33.018 ( 2.338 -0.000 12.216) 12.438 34.314 ( 0.256 -0.000 1.222) 1.249 34.347 ( -1.325 0.000 -0.057) 1.327 35.063 ( -6.770 0.000 -14.011) 15.560 35.067 ( -9.863 0.000 8.518) 13.032 36.130 ( 10.438 -0.000 -0.860) 10.473 36.373 ( 8.283 -0.000 9.625) 12.698 36.948 ( -1.098 0.000 -17.945) 17.978 37.282 ( -13.004 0.000 5.967) 14.307 ======================= Grid point 198 (91/95) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 10.491 -8.732 -8.795) 16.237 1.729 ( -2.690 -8.654 14.071) 16.736 2.020 ( 6.235 -0.665 -2.507) 6.753 2.349 ( -5.177 1.671 3.672) 6.563 2.560 ( 16.941 -5.488 -22.409) 28.623 2.727 ( 2.302 8.714 -2.037) 9.240 2.846 ( -7.314 0.533 13.592) 15.444 2.978 ( -6.979 -2.641 2.183) 7.775 3.193 ( 0.309 0.759 10.898) 10.929 3.323 ( 1.919 0.853 -10.688) 10.893 3.381 ( 5.577 1.030 -4.670) 7.347 3.501 ( 5.420 3.094 -2.023) 6.561 3.531 ( 4.852 -0.811 -4.970) 6.993 3.640 ( -8.232 -1.897 0.287) 8.453 3.849 ( 3.609 -3.779 12.078) 13.160 4.017 ( 1.555 -1.328 -10.953) 11.142 4.058 ( -3.225 -3.435 3.385) 5.802 4.143 ( -9.179 -1.370 11.008) 14.398 4.293 ( 4.025 -2.722 0.572) 4.892 4.313 ( 7.787 -2.275 3.717) 8.924 4.544 ( 0.619 3.319 0.539) 3.418 4.657 ( 1.917 1.965 -5.773) 6.392 4.798 ( 2.425 -3.974 0.070) 4.656 4.818 ( 6.096 -4.049 -2.249) 7.656 4.960 ( 2.425 3.607 -3.253) 5.429 4.997 ( 5.326 4.907 1.844) 7.473 5.241 ( -2.377 3.336 5.923) 7.201 5.478 ( -1.101 5.006 -7.801) 9.334 5.564 ( 7.208 -2.504 2.551) 8.046 5.601 ( -2.408 3.579 4.131) 5.973 5.681 ( -8.147 -0.237 -0.309) 8.156 5.755 ( -1.169 -1.849 -2.681) 3.460 5.894 ( -1.795 -5.463 2.755) 6.376 6.000 ( -9.847 -7.896 -1.023) 12.664 7.178 ( -1.614 -2.168 12.385) 12.676 7.374 ( -3.728 -2.655 -10.356) 11.322 7.597 ( -1.713 7.283 4.598) 8.782 7.680 ( -3.103 3.974 -5.349) 7.351 7.954 ( -1.382 -5.563 -5.273) 7.789 7.992 ( -6.050 -7.231 -0.305) 9.434 8.255 ( 1.675 1.710 -0.389) 2.425 8.307 ( -1.171 2.662 1.908) 3.478 8.808 ( 2.900 1.504 4.226) 5.341 8.917 ( 1.467 1.652 -2.710) 3.497 9.047 ( 3.200 1.483 1.252) 3.742 9.109 ( 5.807 -0.548 -4.964) 7.659 9.284 ( -7.002 5.163 1.236) 8.787 9.359 ( -5.942 1.264 -0.423) 6.090 9.666 ( -3.185 0.200 2.974) 4.362 9.834 ( -8.175 -3.273 -4.952) 10.102 10.327 ( 0.023 3.014 9.884) 10.333 10.452 ( 0.428 -0.021 -7.052) 7.065 10.889 ( 3.079 -0.506 1.941) 3.675 10.937 ( 1.823 -1.586 -2.649) 3.585 11.477 ( 10.364 0.968 0.507) 10.421 11.682 ( 5.748 1.046 0.538) 5.867 11.827 ( -5.301 -0.366 0.044) 5.313 11.921 ( -4.864 -0.058 -0.656) 4.908 12.774 ( 2.719 3.358 -3.847) 5.785 12.851 ( 1.255 2.140 0.740) 2.588 12.975 ( -3.289 -2.182 -0.208) 3.952 12.997 ( -10.729 0.018 4.215) 11.527 13.557 ( 3.302 -0.767 -1.661) 3.775 13.687 ( -4.743 -1.415 5.285) 7.241 14.010 ( 6.462 0.582 -1.678) 6.702 14.179 ( -0.249 1.602 -6.294) 6.500 14.763 ( -0.759 0.336 3.249) 3.354 14.798 ( -1.722 -0.666 0.251) 1.863 14.988 ( 10.645 2.956 3.622) 11.626 15.137 ( 6.701 0.966 -2.798) 7.326 15.823 ( -0.052 4.003 1.999) 4.475 15.856 ( 0.352 5.461 -1.799) 5.761 15.867 ( 9.261 2.524 1.346) 9.693 16.000 ( 5.495 2.510 -2.360) 6.486 16.414 ( 4.817 -4.661 -5.469) 8.651 16.457 ( -2.455 -3.083 3.737) 5.431 16.821 ( -1.099 -1.444 0.626) 1.920 16.849 ( -1.537 -0.753 0.994) 1.979 16.930 ( 0.358 -1.165 -4.701) 4.856 17.050 ( -6.154 1.170 1.687) 6.487 17.125 ( 1.026 0.095 0.338) 1.084 17.143 ( -1.253 -0.836 5.019) 5.240 20.059 ( 8.881 2.519 2.654) 9.606 20.199 ( 6.396 5.964 -2.153) 9.006 21.186 ( -5.562 0.249 -3.269) 6.456 21.281 ( -9.027 0.874 3.172) 9.607 22.788 ( 0.383 -4.533 -7.711) 8.953 22.829 ( -5.845 -3.978 8.480) 11.041 27.897 ( 0.130 0.174 5.366) 5.371 28.081 ( -6.829 2.343 -6.235) 9.540 29.615 ( 4.181 3.011 -0.751) 5.207 29.733 ( -1.503 4.638 0.664) 4.921 29.939 ( 2.985 -1.170 -0.129) 3.209 30.027 ( -0.412 -1.328 1.024) 1.727 31.057 ( 5.912 0.940 0.394) 5.999 31.121 ( 1.917 0.441 -2.083) 2.865 31.159 ( 0.356 -3.997 1.497) 4.283 31.293 ( -2.455 -6.860 -0.059) 7.286 31.773 ( -4.694 -1.818 2.881) 5.800 31.786 ( -3.485 -0.091 -2.068) 4.054 32.080 ( 1.363 2.737 2.523) 3.964 32.130 ( 0.644 0.238 -2.741) 2.826 32.492 ( 6.479 -0.787 0.860) 6.583 32.641 ( 4.857 1.016 1.490) 5.181 32.888 ( 4.034 2.040 -7.465) 8.727 33.049 ( -3.221 -0.050 8.090) 8.708 34.348 ( 0.552 -3.370 0.551) 3.459 34.367 ( -1.001 -3.629 0.301) 3.777 34.949 ( -2.597 2.296 -4.624) 5.779 35.039 ( -8.756 -2.501 0.932) 9.153 36.205 ( 10.246 2.755 -1.251) 10.683 36.415 ( 1.060 4.822 8.281) 9.641 36.802 ( 7.360 10.748 -12.157) 17.819 37.185 ( -13.486 0.372 3.426) 13.920 ======================= Grid point 199 (92/95) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 8.326 -11.254 -6.248) 15.330 1.890 ( -5.619 -10.325 8.556) 14.539 2.117 ( 7.725 -3.239 -2.281) 8.682 2.270 ( -6.616 -0.113 -0.833) 6.670 2.622 ( 7.521 4.923 6.183) 10.910 2.774 ( 7.436 -4.934 -18.680) 20.702 2.816 ( -0.904 1.518 6.878) 7.101 2.914 ( -9.706 -0.020 6.712) 11.801 3.184 ( 1.757 4.413 7.427) 8.816 3.252 ( -0.300 5.051 -8.793) 10.145 3.443 ( 5.953 -3.118 -2.750) 7.261 3.514 ( 4.725 1.045 -0.039) 4.839 3.553 ( -1.409 -2.971 -3.901) 5.102 3.595 ( -7.612 -1.788 2.197) 8.122 3.926 ( 3.474 -0.370 5.994) 6.938 4.027 ( 3.427 4.403 1.398) 5.752 4.081 ( -7.337 -1.003 -2.861) 7.938 4.118 ( -5.379 -2.097 0.660) 5.811 4.356 ( 0.220 -3.004 4.180) 5.152 4.388 ( 1.193 -3.893 -3.661) 5.475 4.567 ( 0.364 -0.745 6.216) 6.271 4.621 ( -0.387 0.910 -7.857) 7.919 4.843 ( 2.362 0.711 4.344) 4.995 4.889 ( 0.775 2.520 1.309) 2.943 4.934 ( 6.376 0.031 -3.681) 7.362 4.992 ( 0.908 -0.424 -1.768) 2.033 5.262 ( 6.857 -2.160 3.369) 7.940 5.379 ( -1.430 2.061 -0.546) 2.567 5.506 ( 1.207 4.724 -0.577) 4.910 5.587 ( -7.366 0.162 -2.444) 7.762 5.726 ( 5.179 -5.064 2.136) 7.552 5.796 ( -2.245 -4.037 -0.903) 4.707 5.955 ( -1.394 -2.271 2.496) 3.652 6.017 ( -7.719 -4.362 -1.890) 9.066 7.265 ( 2.544 -2.989 8.710) 9.553 7.370 ( -2.889 -2.042 -7.531) 8.321 7.513 ( 1.548 1.827 3.165) 3.969 7.591 ( -4.484 -0.543 -3.204) 5.537 8.012 ( 2.267 -0.817 -4.347) 4.970 8.041 ( -2.771 -0.711 2.421) 3.747 8.244 ( -1.575 -1.971 1.116) 2.759 8.254 ( -1.489 0.359 -1.643) 2.246 8.815 ( 3.395 2.420 2.652) 4.942 8.877 ( -1.530 2.201 -1.290) 2.974 9.039 ( 3.310 3.747 -0.328) 5.010 9.125 ( -6.297 5.353 1.123) 8.341 9.160 ( 6.474 1.202 -2.446) 7.024 9.269 ( -5.557 2.171 -0.147) 5.968 9.695 ( 1.791 -3.225 5.289) 6.449 9.813 ( -6.333 -4.262 -6.261) 9.872 10.315 ( 2.530 2.587 8.037) 8.814 10.410 ( -2.554 1.143 -6.613) 7.180 10.933 ( 1.755 -0.733 3.817) 4.264 10.965 ( 0.831 -0.917 -3.810) 4.006 11.535 ( 8.848 3.572 0.157) 9.543 11.656 ( -2.113 4.681 0.872) 5.210 11.819 ( -0.085 -1.890 0.242) 1.907 11.884 ( -4.690 -1.346 -0.971) 4.975 12.753 ( 6.371 2.771 -3.936) 7.985 12.839 ( 0.707 2.381 4.040) 4.742 12.917 ( -6.139 -0.936 0.579) 6.237 12.969 ( -5.080 -1.704 -0.493) 5.381 13.602 ( 3.952 -1.068 -1.863) 4.498 13.675 ( -5.024 -1.098 3.321) 6.122 14.049 ( 5.720 1.176 -0.267) 5.846 14.134 ( -1.881 1.130 -3.040) 3.749 14.764 ( 0.947 -0.028 1.390) 1.682 14.798 ( -2.423 -1.394 0.933) 2.947 15.035 ( 9.409 4.031 3.388) 10.782 15.137 ( 1.578 2.924 -3.768) 5.024 15.730 ( -0.922 7.974 -0.085) 8.028 15.732 ( -1.679 6.219 -0.036) 6.442 15.876 ( 7.013 5.975 1.327) 9.308 15.959 ( -0.255 5.064 -1.755) 5.366 16.518 ( 2.977 -4.606 -3.572) 6.545 16.536 ( -0.310 -6.330 2.930) 6.982 16.817 ( 1.505 1.531 -0.790) 2.288 16.870 ( -3.663 -2.315 0.379) 4.350 16.939 ( 0.446 -0.902 -1.557) 1.854 16.983 ( -4.418 -0.051 1.625) 4.708 17.143 ( 2.223 -0.431 -2.136) 3.113 17.160 ( -1.418 -0.895 3.907) 4.252 20.065 ( 4.966 5.862 2.835) 8.189 20.113 ( 2.226 7.808 -2.748) 8.571 21.152 ( -0.181 -0.942 -3.407) 3.540 21.207 ( -7.110 -0.629 3.413) 7.912 22.873 ( 2.318 -6.370 -8.670) 11.006 22.890 ( -4.705 -5.948 8.949) 11.731 27.911 ( 1.131 0.580 4.100) 4.292 27.978 ( -3.450 2.108 -4.482) 6.036 29.603 ( 3.639 2.269 -0.235) 4.295 29.660 ( -2.142 2.235 0.292) 3.110 29.960 ( 3.859 2.104 -1.220) 4.562 30.020 ( -2.817 1.176 1.351) 3.338 31.082 ( 3.280 1.284 0.813) 3.615 31.118 ( 0.060 0.927 -1.299) 1.597 31.277 ( 4.700 -6.932 -1.551) 8.517 31.379 ( -6.318 -8.039 2.066) 10.432 31.775 ( -0.713 -1.184 0.282) 1.411 31.787 ( -2.030 -2.835 -0.341) 3.503 32.063 ( 1.441 1.818 5.182) 5.678 32.111 ( -0.362 0.341 -5.244) 5.268 32.555 ( 5.393 0.867 0.775) 5.517 32.631 ( -1.111 2.447 0.727) 2.784 32.885 ( 6.890 2.652 -3.952) 8.374 33.004 ( -6.646 1.786 4.079) 8.000 34.439 ( 1.178 -6.729 -1.564) 7.008 34.448 ( -1.178 -6.907 2.062) 7.304 34.905 ( 1.925 1.477 -3.344) 4.131 34.987 ( -8.221 -0.420 1.671) 8.399 36.209 ( 6.420 6.299 -1.223) 9.077 36.280 ( -2.034 10.637 2.539) 11.123 36.739 ( 14.840 7.397 -3.452) 16.937 37.016 ( -15.240 4.169 1.522) 15.873 ======================= Grid point 200 (93/95) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 1.989 -0.130 -7.661) 7.916 1.955 ( -1.989 -0.130 7.661) 7.916 2.247 ( -1.656 -4.619 -7.109) 8.638 2.247 ( 1.656 -4.619 7.109) 8.638 2.706 ( -7.649 1.073 -7.630) 10.857 2.706 ( 7.649 1.073 7.630) 10.857 2.856 ( -2.042 0.265 -5.910) 6.258 2.856 ( 2.042 0.265 5.910) 6.258 3.171 ( -1.851 -0.436 -3.535) 4.014 3.171 ( 1.851 -0.436 3.535) 4.014 3.510 ( 3.535 2.186 -5.049) 6.540 3.510 ( -3.535 2.186 5.049) 6.540 3.618 ( 4.404 -6.472 -7.091) 10.563 3.618 ( -4.404 -6.472 7.091) 10.563 3.935 ( -3.187 7.589 -0.863) 8.276 3.935 ( 3.187 7.589 0.863) 8.276 4.033 ( -3.792 0.758 -5.385) 6.630 4.033 ( 3.792 0.758 5.385) 6.630 4.465 ( -0.873 -4.709 -6.818) 8.332 4.465 ( 0.873 -4.709 6.818) 8.332 4.585 ( 0.807 -0.326 -7.291) 7.342 4.585 ( -0.807 -0.326 7.291) 7.342 4.827 ( 0.173 3.664 -6.804) 7.730 4.827 ( -0.173 3.664 6.804) 7.730 4.975 ( -1.322 0.851 -3.107) 3.482 4.975 ( 1.322 0.851 3.107) 3.482 5.382 ( 4.714 -1.694 -5.128) 7.169 5.382 ( -4.714 -1.694 5.128) 7.169 5.518 ( -8.963 -2.007 -2.669) 9.565 5.518 ( 8.963 -2.007 2.669) 9.565 5.833 ( 2.478 -3.238 -1.443) 4.325 5.833 ( -2.478 -3.238 1.443) 4.325 6.006 ( -4.584 -3.271 -1.665) 5.872 6.006 ( 4.584 -3.271 1.665) 5.872 7.324 ( -3.211 0.868 -1.726) 3.747 7.324 ( 3.211 0.868 1.726) 3.747 7.609 ( 0.130 -6.488 -2.231) 6.862 7.609 ( -0.130 -6.488 2.231) 6.862 7.960 ( 0.857 6.740 -1.093) 6.881 7.960 ( -0.857 6.740 1.093) 6.881 8.314 ( 1.815 -6.908 -1.725) 7.348 8.314 ( -1.815 -6.908 1.725) 7.348 8.806 ( -0.389 3.222 -4.141) 5.261 8.806 ( 0.389 3.222 4.141) 5.261 8.981 ( -2.091 6.197 -1.068) 6.627 8.981 ( 2.091 6.197 1.068) 6.627 9.210 ( -0.652 -1.306 -7.011) 7.161 9.210 ( 0.652 -1.306 7.011) 7.161 9.819 ( -4.099 -4.998 -6.423) 9.112 9.819 ( 4.099 -4.998 6.423) 9.112 10.341 ( -2.623 0.691 -7.994) 8.441 10.341 ( 2.623 0.691 7.994) 8.441 10.957 ( 0.881 0.633 -6.064) 6.160 10.957 ( -0.881 0.633 6.064) 6.160 11.520 ( -6.105 6.398 0.529) 8.859 11.520 ( 6.105 6.398 -0.529) 8.859 11.874 ( -2.993 -2.407 -1.689) 4.195 11.874 ( 2.993 -2.407 1.689) 4.195 12.771 ( 7.293 2.041 -4.342) 8.729 12.771 ( -7.293 2.041 4.342) 8.729 12.952 ( 0.021 -2.634 -2.784) 3.833 12.952 ( -0.021 -2.634 2.784) 3.833 13.652 ( 0.899 -0.730 -0.907) 1.471 13.652 ( -0.899 -0.730 0.907) 1.471 14.081 ( -4.474 0.987 -1.578) 4.846 14.081 ( 4.474 0.987 1.578) 4.846 14.798 ( 1.520 -1.300 -4.971) 5.358 14.798 ( -1.520 -1.300 4.971) 5.358 15.046 ( -4.916 4.574 -4.385) 8.020 15.046 ( 4.916 4.574 4.385) 8.020 15.584 ( -1.801 9.577 -0.681) 9.769 15.584 ( 1.801 9.577 0.681) 9.769 15.824 ( -4.700 7.022 -1.321) 8.553 15.824 ( 4.700 7.022 1.321) 8.553 16.623 ( 0.974 -4.835 -3.973) 6.333 16.623 ( -0.974 -4.835 3.973) 6.333 16.821 ( 0.672 1.369 -5.298) 5.513 16.821 ( -0.672 1.369 5.298) 5.513 16.975 ( 0.403 -1.231 -0.862) 1.556 16.975 ( -0.403 -1.231 0.862) 1.556 17.169 ( 2.064 -1.104 -2.441) 3.382 17.169 ( -2.064 -1.104 2.441) 3.382 19.984 ( 0.777 7.202 -5.039) 8.824 19.984 ( -0.777 7.202 5.039) 8.824 21.197 ( 2.540 -3.133 -3.974) 5.662 21.197 ( -2.540 -3.133 3.974) 5.662 22.978 ( 3.415 -5.843 -9.114) 11.352 22.978 ( -3.415 -5.843 9.114) 11.352 27.920 ( -0.994 1.014 -3.195) 3.497 27.920 ( 0.994 1.014 3.195) 3.497 29.614 ( -0.960 0.354 -3.100) 3.265 29.614 ( 0.960 0.354 3.100) 3.265 29.943 ( -2.017 3.958 0.483) 4.468 29.943 ( 2.017 3.958 -0.483) 4.468 31.086 ( -1.193 1.371 -1.853) 2.596 31.086 ( 1.193 1.371 1.853) 2.596 31.452 ( 4.680 -7.575 -2.426) 9.229 31.452 ( -4.680 -7.575 2.426) 9.229 31.801 ( -1.767 -0.623 -1.406) 2.342 31.801 ( 1.767 -0.623 1.406) 2.342 32.095 ( -1.502 -1.896 -7.880) 8.243 32.095 ( 1.502 -1.896 7.880) 8.243 32.560 ( -2.919 3.354 0.122) 4.448 32.560 ( 2.919 3.354 -0.122) 4.448 32.897 ( 1.121 3.550 -7.443) 8.322 32.897 ( -1.121 3.550 7.443) 8.322 34.583 ( 1.836 -9.620 -4.349) 10.716 34.583 ( -1.836 -9.620 4.349) 10.716 34.909 ( 4.277 1.869 -11.334) 12.258 34.909 ( -4.277 1.869 11.334) 12.258 36.101 ( 2.271 9.523 -7.583) 12.383 36.101 ( -2.271 9.523 7.583) 12.383 36.790 ( -8.755 4.340 -5.499) 11.212 36.790 ( 8.755 4.340 5.499) 11.212 ======================= Grid point 208 (94/95) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 11.842 -0.000 -10.063) 15.540 1.661 ( -5.686 0.000 13.985) 15.096 2.077 ( 7.403 -0.000 0.428) 7.415 2.267 ( -10.883 0.000 -2.399) 11.144 2.617 ( 16.051 -0.000 -16.535) 23.044 2.771 ( -8.024 0.000 7.729) 11.142 2.877 ( -3.770 0.000 6.482) 7.499 2.878 ( -1.375 0.000 -1.029) 1.717 3.225 ( -0.025 0.000 12.835) 12.835 3.301 ( 0.695 -0.000 -12.841) 12.860 3.421 ( 4.891 -0.000 -4.655) 6.752 3.539 ( -8.880 0.000 1.440) 8.996 3.572 ( 4.951 -0.000 -5.802) 7.627 3.577 ( 2.536 -0.000 2.444) 3.522 3.899 ( 4.800 -0.000 11.921) 12.851 3.981 ( 1.781 -0.000 -14.735) 14.842 4.027 ( 0.323 -0.000 -4.856) 4.866 4.053 ( -11.642 0.000 18.089) 21.512 4.329 ( 7.066 -0.000 1.509) 7.226 4.391 ( 7.218 -0.000 4.611) 8.565 4.569 ( -2.371 0.000 -0.947) 2.553 4.653 ( -2.801 0.000 -9.932) 10.319 4.798 ( 4.467 -0.000 5.995) 7.477 4.850 ( 7.345 -0.000 -3.496) 8.135 4.974 ( 2.689 -0.000 -8.383) 8.803 5.073 ( -6.247 0.000 7.696) 9.912 5.293 ( 4.242 -0.000 5.191) 6.704 5.460 ( -6.853 0.000 -7.417) 10.098 5.574 ( 3.721 -0.000 2.724) 4.611 5.634 ( -0.945 0.000 -0.040) 0.946 5.692 ( -0.611 0.000 1.698) 1.804 5.709 ( -2.068 0.000 -0.825) 2.227 5.830 ( -1.263 0.000 -0.460) 1.344 5.845 ( -2.807 0.000 0.689) 2.890 7.179 ( -1.595 0.000 14.380) 14.468 7.272 ( -3.159 0.000 -13.349) 13.718 7.685 ( -1.028 0.000 4.579) 4.693 7.707 ( -0.390 0.000 -5.035) 5.050 7.843 ( -3.097 0.000 1.597) 3.485 7.857 ( -2.840 0.000 -4.908) 5.671 8.303 ( 3.712 -0.000 -2.552) 4.505 8.334 ( -1.425 0.000 3.764) 4.025 8.863 ( 2.748 -0.000 5.347) 6.012 8.927 ( -0.608 0.000 -4.213) 4.256 9.105 ( 5.007 -0.000 0.022) 5.007 9.138 ( 3.966 -0.000 -2.492) 4.683 9.280 ( -4.839 0.000 1.063) 4.954 9.308 ( -5.228 0.000 -0.269) 5.235 9.654 ( -1.316 0.000 2.633) 2.944 9.718 ( -6.169 0.000 -3.996) 7.350 10.381 ( -0.519 0.000 11.291) 11.303 10.436 ( 0.716 -0.000 -9.722) 9.749 10.913 ( 1.490 -0.000 2.431) 2.851 10.928 ( 1.287 -0.000 -2.938) 3.207 11.586 ( 10.009 -0.000 0.880) 10.048 11.739 ( -0.670 0.000 0.983) 1.190 11.775 ( -0.278 0.000 -1.197) 1.229 11.871 ( -5.378 0.000 -0.403) 5.393 12.817 ( 4.177 -0.000 -5.670) 7.042 12.889 ( 1.382 -0.000 0.921) 1.660 12.918 ( -9.529 0.000 6.385) 11.471 12.927 ( -1.822 0.000 -1.066) 2.111 13.580 ( 4.158 -0.000 -2.841) 5.036 13.643 ( -4.821 0.000 4.919) 6.887 14.072 ( 5.726 -0.000 0.137) 5.728 14.163 ( -2.288 0.000 -4.854) 5.366 14.763 ( -1.224 0.000 3.710) 3.907 14.777 ( -1.052 0.000 -1.606) 1.920 15.113 ( 7.862 -0.000 2.935) 8.392 15.183 ( 2.496 -0.000 -2.504) 3.536 15.856 ( -0.770 0.000 1.891) 2.042 15.884 ( -2.564 0.000 -0.228) 2.574 15.985 ( 8.772 -0.000 -0.624) 8.794 16.054 ( 1.761 -0.000 -1.454) 2.283 16.396 ( 3.735 -0.000 -6.558) 7.547 16.414 ( -2.811 0.000 5.653) 6.313 16.801 ( 1.036 -0.000 0.245) 1.065 16.836 ( -1.990 0.000 0.939) 2.200 16.924 ( 3.053 -0.000 -5.293) 6.111 17.000 ( -7.143 0.000 2.980) 7.739 17.139 ( 1.649 -0.000 -2.646) 3.118 17.140 ( -1.020 0.000 5.725) 5.815 20.175 ( 8.681 -0.000 2.067) 8.924 20.279 ( 0.262 -0.000 -1.597) 1.619 21.148 ( -0.507 0.000 -3.480) 3.516 21.215 ( -8.260 0.000 3.261) 8.881 22.739 ( 2.243 -0.000 -7.447) 7.777 22.766 ( -4.984 0.000 7.928) 9.365 27.922 ( 1.442 -0.000 5.988) 6.160 28.020 ( -5.299 0.000 -6.613) 8.474 29.683 ( 3.722 -0.000 0.419) 3.746 29.755 ( -3.621 0.000 -0.410) 3.644 29.952 ( 3.978 -0.000 -0.735) 4.046 30.004 ( -1.969 0.000 1.461) 2.452 31.125 ( -0.695 0.000 2.997) 3.076 31.127 ( 2.192 -0.000 -3.028) 3.738 31.135 ( 5.468 -0.000 -0.657) 5.507 31.220 ( -2.148 0.000 0.297) 2.169 31.728 ( -2.837 0.000 2.736) 3.941 31.743 ( -2.766 0.000 -2.194) 3.530 32.120 ( -0.026 0.000 3.237) 3.237 32.132 ( 0.973 -0.000 -3.441) 3.576 32.557 ( 7.365 -0.000 1.631) 7.543 32.669 ( -1.622 0.000 -0.284) 1.646 32.930 ( 7.065 -0.000 -8.148) 10.785 33.030 ( -6.328 0.000 8.441) 10.550 34.325 ( -0.073 0.000 1.538) 1.540 34.331 ( -0.097 0.000 -1.081) 1.085 34.940 ( 1.281 -0.000 -11.586) 11.656 34.959 ( -6.727 0.000 9.643) 11.758 36.326 ( 10.483 -0.000 -1.964) 10.665 36.463 ( -4.715 0.000 6.563) 8.081 36.926 ( 9.056 -0.000 -13.551) 16.299 37.081 ( -12.493 0.000 8.092) 14.884 ======================= Grid point 209 (95/95) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.23e-05 7.23e-05 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 8.926 -7.505 -10.831) 15.916 1.690 ( -8.926 -7.505 10.831) 15.916 2.168 ( -4.057 -0.903 -5.495) 6.890 2.168 ( 4.057 -0.903 5.495) 6.890 2.726 ( 6.739 -1.299 -9.577) 11.782 2.726 ( -6.739 -1.299 9.577) 11.782 2.852 ( 0.056 1.216 -5.738) 5.866 2.852 ( -0.056 1.216 5.738) 5.866 3.266 ( -0.356 0.532 -12.229) 12.246 3.266 ( 0.356 0.532 12.229) 12.246 3.476 ( -1.879 -0.814 -0.296) 2.069 3.476 ( 1.879 -0.814 0.296) 2.069 3.563 ( 1.832 2.101 -1.761) 3.297 3.563 ( -1.832 2.101 1.761) 3.297 3.971 ( -2.736 -1.707 -8.361) 8.961 3.971 ( 2.736 -1.707 8.361) 8.961 4.051 ( 5.099 -3.025 -13.744) 14.968 4.051 ( -5.099 -3.025 13.744) 14.968 4.378 ( -4.339 2.190 -1.581) 5.111 4.378 ( 4.339 2.190 1.581) 5.111 4.597 ( -3.298 -0.448 -7.822) 8.501 4.597 ( 3.298 -0.448 7.822) 8.501 4.866 ( -1.909 -1.123 -4.254) 4.795 4.866 ( 1.909 -1.123 4.254) 4.795 4.995 ( 5.975 1.449 -6.938) 9.271 4.995 ( -5.975 1.449 6.938) 9.271 5.346 ( -7.786 1.884 -5.055) 9.473 5.346 ( 7.786 1.884 5.055) 9.473 5.590 ( 0.057 4.171 -3.040) 5.162 5.590 ( -0.057 4.171 3.040) 5.162 5.695 ( -3.634 -3.442 -2.215) 5.473 5.695 ( 3.634 -3.442 2.215) 5.473 5.899 ( -1.689 -5.286 -0.202) 5.553 5.899 ( 1.689 -5.286 0.202) 5.553 7.250 ( -1.232 -3.934 -13.368) 13.989 7.250 ( 1.232 -3.934 13.368) 13.989 7.611 ( -0.523 6.223 -5.402) 8.257 7.611 ( 0.523 6.223 5.402) 8.257 7.927 ( 1.740 -7.754 -3.283) 8.598 7.927 ( -1.740 -7.754 3.283) 8.598 8.292 ( 2.032 3.621 -2.080) 4.644 8.292 ( -2.032 3.621 2.080) 4.644 8.886 ( -1.996 1.671 -4.264) 4.996 8.886 ( 1.996 1.671 4.264) 4.996 9.130 ( -3.539 1.883 -0.407) 4.030 9.130 ( 3.539 1.883 0.407) 4.030 9.249 ( 1.001 2.014 -2.465) 3.337 9.249 ( -1.001 2.014 2.465) 3.337 9.687 ( -3.266 -2.388 -4.905) 6.358 9.687 ( 3.266 -2.388 4.905) 6.358 10.395 ( -0.329 1.654 -10.291) 10.428 10.395 ( 0.329 1.654 10.291) 10.428 10.937 ( 0.147 -1.104 -4.267) 4.410 10.937 ( -0.147 -1.104 4.267) 4.410 11.663 ( -8.339 1.783 -0.236) 8.530 11.663 ( 8.339 1.783 0.236) 8.530 11.821 ( -4.947 -0.534 -0.149) 4.978 11.821 ( 4.947 -0.534 0.149) 4.978 12.842 ( 7.076 1.462 -5.583) 9.131 12.842 ( -7.076 1.462 5.583) 9.131 12.909 ( -3.372 -0.228 -0.587) 3.430 12.909 ( 3.372 -0.228 0.587) 3.430 13.620 ( 4.715 -0.911 -3.552) 5.973 13.620 ( -4.715 -0.911 3.552) 5.973 14.115 ( -4.032 0.815 -2.073) 4.607 14.115 ( 4.032 0.815 2.073) 4.607 14.769 ( 0.415 -0.363 -3.375) 3.420 14.769 ( -0.415 -0.363 3.375) 3.420 15.157 ( -3.460 1.893 -3.191) 5.073 15.157 ( 3.460 1.893 3.191) 5.073 15.823 ( -1.226 4.463 -0.251) 4.635 15.823 ( 1.226 4.463 0.251) 4.635 16.014 ( -3.115 3.493 -1.017) 4.790 16.014 ( 3.115 3.493 1.017) 4.790 16.446 ( 2.070 -4.371 -5.885) 7.618 16.446 ( -2.070 -4.371 5.885) 7.618 16.828 ( -0.903 -1.015 -0.424) 1.423 16.828 ( 0.903 -1.015 0.424) 1.423 16.947 ( 4.623 0.208 -3.987) 6.108 16.947 ( -4.623 0.208 3.987) 6.108 17.147 ( 1.530 -0.387 -4.107) 4.400 17.147 ( -1.530 -0.387 4.107) 4.400 20.208 ( -3.535 4.673 -2.636) 6.425 20.208 ( 3.535 4.673 2.636) 6.425 21.156 ( 4.560 0.228 -3.748) 5.907 21.156 ( -4.560 0.228 3.748) 5.907 22.785 ( 3.814 -4.330 -8.169) 10.001 22.785 ( -3.814 -4.330 8.169) 10.001 27.955 ( -2.719 0.730 -5.929) 6.563 27.955 ( 2.719 0.730 5.929) 6.563 29.684 ( -1.632 3.317 -1.545) 4.007 29.684 ( 1.632 3.317 1.545) 4.007 29.997 ( 2.861 -0.928 -1.421) 3.327 29.997 ( -2.861 -0.928 1.421) 3.327 31.124 ( 0.174 0.605 -2.280) 2.366 31.124 ( -0.174 0.605 2.280) 2.366 31.224 ( -4.939 -4.337 0.869) 6.630 31.224 ( 4.939 -4.337 -0.869) 6.630 31.738 ( 0.204 -1.766 -1.721) 2.474 31.738 ( -0.204 -1.766 1.721) 2.474 32.114 ( 0.111 1.487 -4.106) 4.369 32.114 ( -0.111 1.487 4.106) 4.369 32.623 ( -5.450 0.555 -1.188) 5.605 32.623 ( 5.450 0.555 1.188) 5.605 32.974 ( 6.355 1.118 -7.496) 9.891 32.974 ( -6.355 1.118 7.496) 9.891 34.357 ( 0.160 -3.515 -1.067) 3.677 34.357 ( -0.160 -3.515 1.067) 3.677 34.935 ( 4.153 0.087 -10.610) 11.394 34.935 ( -4.153 0.087 10.610) 11.394 36.370 ( 2.042 4.868 -3.984) 6.613 36.370 ( -2.042 4.868 3.984) 6.613 36.958 ( 5.797 3.905 -8.878) 11.299 36.958 ( -5.797 3.905 8.878) 11.299 =================== 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 3/36936 10.0 251.934 254.320 241.107 -0.000 25.487 -0.000 3/36936 20.0 42.256 36.714 56.134 -0.000 -4.295 -0.000 3/36936 30.0 17.435 14.450 23.103 -0.000 -2.299 -0.000 3/36936 40.0 10.083 8.206 13.286 -0.000 -1.400 -0.000 3/36936 50.0 6.936 5.582 9.116 -0.000 -0.980 -0.000 3/36936 60.0 5.268 4.203 6.897 -0.000 -0.747 -0.000 3/36936 70.0 4.255 3.369 5.538 -0.000 -0.600 -0.000 3/36936 80.0 3.582 2.815 4.626 -0.000 -0.501 -0.000 3/36936 90.0 3.106 2.424 3.976 -0.000 -0.430 -0.000 3/36936 100.0 2.753 2.133 3.490 -0.000 -0.377 -0.000 3/36936 110.0 2.482 1.908 3.113 -0.000 -0.336 -0.000 3/36936 120.0 2.268 1.730 2.814 -0.000 -0.303 -0.000 3/36936 130.0 2.095 1.585 2.569 -0.000 -0.277 -0.000 3/36936 140.0 1.952 1.465 2.367 -0.000 -0.256 -0.000 3/36936 150.0 1.832 1.364 2.196 -0.000 -0.238 -0.000 3/36936 160.0 1.729 1.278 2.050 -0.000 -0.223 -0.000 3/36936 170.0 1.640 1.203 1.923 -0.000 -0.209 -0.000 3/36936 180.0 1.562 1.137 1.813 -0.000 -0.198 -0.000 3/36936 190.0 1.493 1.079 1.715 -0.000 -0.188 -0.000 3/36936 200.0 1.431 1.028 1.628 -0.000 -0.179 -0.000 3/36936 210.0 1.375 0.982 1.551 -0.000 -0.171 -0.000 3/36936 220.0 1.325 0.940 1.481 -0.000 -0.164 -0.000 3/36936 230.0 1.279 0.903 1.418 -0.000 -0.158 -0.000 3/36936 240.0 1.236 0.868 1.360 -0.000 -0.152 -0.000 3/36936 250.0 1.197 0.837 1.307 -0.000 -0.146 -0.000 3/36936 260.0 1.161 0.808 1.259 -0.000 -0.141 -0.000 3/36936 270.0 1.127 0.782 1.215 -0.000 -0.137 -0.000 3/36936 280.0 1.096 0.757 1.173 -0.000 -0.132 -0.000 3/36936 290.0 1.067 0.735 1.135 -0.000 -0.128 -0.000 3/36936 300.0 1.039 0.714 1.100 -0.000 -0.125 -0.000 3/36936 310.0 1.013 0.694 1.067 -0.000 -0.121 -0.000 3/36936 320.0 0.989 0.675 1.036 -0.000 -0.118 -0.000 3/36936 330.0 0.966 0.658 1.007 -0.000 -0.115 -0.000 3/36936 340.0 0.944 0.642 0.979 -0.000 -0.112 -0.000 3/36936 350.0 0.923 0.626 0.954 -0.000 -0.109 -0.000 3/36936 360.0 0.903 0.612 0.929 -0.000 -0.107 -0.000 3/36936 370.0 0.885 0.598 0.906 -0.000 -0.104 -0.000 3/36936 380.0 0.867 0.585 0.884 -0.000 -0.102 -0.000 3/36936 390.0 0.850 0.572 0.864 -0.000 -0.100 -0.000 3/36936 400.0 0.833 0.561 0.844 -0.000 -0.097 -0.000 3/36936 410.0 0.817 0.549 0.825 -0.000 -0.095 -0.000 3/36936 420.0 0.802 0.538 0.808 -0.000 -0.093 -0.000 3/36936 430.0 0.788 0.528 0.791 -0.000 -0.092 -0.000 3/36936 440.0 0.774 0.518 0.774 -0.000 -0.090 -0.000 3/36936 450.0 0.761 0.509 0.759 -0.000 -0.088 -0.000 3/36936 460.0 0.748 0.500 0.744 -0.000 -0.086 -0.000 3/36936 470.0 0.735 0.491 0.729 -0.000 -0.085 -0.000 3/36936 480.0 0.723 0.482 0.716 -0.000 -0.083 -0.000 3/36936 490.0 0.711 0.474 0.702 -0.000 -0.082 -0.000 3/36936 500.0 0.700 0.466 0.690 -0.000 -0.080 -0.000 3/36936 510.0 0.689 0.459 0.677 -0.000 -0.079 -0.000 3/36936 520.0 0.679 0.451 0.665 -0.000 -0.078 -0.000 3/36936 530.0 0.668 0.444 0.654 -0.000 -0.077 -0.000 3/36936 540.0 0.658 0.438 0.643 -0.000 -0.075 -0.000 3/36936 550.0 0.649 0.431 0.632 -0.000 -0.074 -0.000 3/36936 560.0 0.639 0.424 0.622 -0.000 -0.073 -0.000 3/36936 570.0 0.630 0.418 0.612 -0.000 -0.072 -0.000 3/36936 580.0 0.621 0.412 0.603 -0.000 -0.071 -0.000 3/36936 590.0 0.613 0.406 0.593 -0.000 -0.070 -0.000 3/36936 600.0 0.604 0.401 0.584 -0.000 -0.069 -0.000 3/36936 610.0 0.596 0.395 0.575 -0.000 -0.068 -0.000 3/36936 620.0 0.588 0.390 0.567 -0.000 -0.067 -0.000 3/36936 630.0 0.581 0.384 0.559 -0.000 -0.066 -0.000 3/36936 640.0 0.573 0.379 0.551 -0.000 -0.065 -0.000 3/36936 650.0 0.566 0.374 0.543 -0.000 -0.064 -0.000 3/36936 660.0 0.558 0.369 0.535 -0.000 -0.063 -0.000 3/36936 670.0 0.551 0.365 0.528 -0.000 -0.062 -0.000 3/36936 680.0 0.545 0.360 0.521 -0.000 -0.061 -0.000 3/36936 690.0 0.538 0.355 0.514 -0.000 -0.061 -0.000 3/36936 700.0 0.531 0.351 0.507 -0.000 -0.060 -0.000 3/36936 710.0 0.525 0.347 0.500 -0.000 -0.059 -0.000 3/36936 720.0 0.519 0.343 0.494 -0.000 -0.058 -0.000 3/36936 730.0 0.513 0.339 0.488 -0.000 -0.058 -0.000 3/36936 740.0 0.507 0.335 0.481 -0.000 -0.057 -0.000 3/36936 750.0 0.501 0.331 0.475 -0.000 -0.056 -0.000 3/36936 760.0 0.495 0.327 0.470 -0.000 -0.056 -0.000 3/36936 770.0 0.490 0.323 0.464 -0.000 -0.055 -0.000 3/36936 780.0 0.484 0.319 0.458 -0.000 -0.054 -0.000 3/36936 790.0 0.479 0.316 0.453 -0.000 -0.054 -0.000 3/36936 800.0 0.474 0.312 0.448 -0.000 -0.053 -0.000 3/36936 810.0 0.469 0.309 0.442 -0.000 -0.052 -0.000 3/36936 820.0 0.464 0.306 0.437 -0.000 -0.052 -0.000 3/36936 830.0 0.459 0.302 0.432 -0.000 -0.051 -0.000 3/36936 840.0 0.454 0.299 0.428 -0.000 -0.051 -0.000 3/36936 850.0 0.449 0.296 0.423 -0.000 -0.050 -0.000 3/36936 860.0 0.445 0.293 0.418 -0.000 -0.050 -0.000 3/36936 870.0 0.440 0.290 0.414 -0.000 -0.049 -0.000 3/36936 880.0 0.436 0.287 0.409 -0.000 -0.049 -0.000 3/36936 890.0 0.431 0.284 0.405 -0.000 -0.048 -0.000 3/36936 900.0 0.427 0.281 0.401 -0.000 -0.048 -0.000 3/36936 910.0 0.423 0.278 0.397 -0.000 -0.047 -0.000 3/36936 920.0 0.419 0.276 0.392 -0.000 -0.047 -0.000 3/36936 930.0 0.415 0.273 0.388 -0.000 -0.046 -0.000 3/36936 940.0 0.411 0.270 0.385 -0.000 -0.046 -0.000 3/36936 950.0 0.407 0.268 0.381 -0.000 -0.045 -0.000 3/36936 960.0 0.403 0.265 0.377 -0.000 -0.045 -0.000 3/36936 970.0 0.399 0.263 0.373 -0.000 -0.044 -0.000 3/36936 980.0 0.396 0.260 0.370 -0.000 -0.044 -0.000 3/36936 990.0 0.392 0.258 0.366 -0.000 -0.044 -0.000 3/36936 1000.0 0.388 0.256 0.363 -0.000 -0.043 -0.000 3/36936 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:11:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|