----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:01:33]------------------------- 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 2 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: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.066830945013135 -5.381153645000000 0.000000000000000 b 7.066830945013135 5.381153645000000 0.000000000000000 c -4.182327608043286 0.000000000000000 13.818294243642049 Atomic positions (fractional): *1 La 0.33822982841315 0.38335521437680 0.59435646316444 138.905 *2 La 0.28749351539257 0.00961429209683 0.67518765375072 138.905 *3 La 0.01539867852532 0.68164552877586 0.08785285175577 138.905 4 La 0.71250648460743 0.99038570790317 0.32481234624928 138.905 5 La 0.98460132147468 0.31835447122414 0.91214714824423 138.905 6 La 0.31835447122414 0.98460132147468 0.41214714824423 138.905 7 La 0.68164552877586 0.01539867852532 0.58785285175577 138.905 8 La 0.00961429209683 0.28749351539257 0.17518765375072 138.905 9 La 0.66177017158686 0.61664478562321 0.40564353683556 138.905 10 La 0.38335521437680 0.33822982841315 0.09435646316444 138.905 11 La 0.61664478562321 0.66177017158686 0.90564353683556 138.905 12 La 0.99038570790317 0.71250648460743 0.82481234624928 138.905 *13 C 0.60467287972241 0.88769510395938 0.42075878526685 12.011 14 C 0.39532712027759 0.11230489604062 0.57924121473315 12.011 15 C 0.88769510395938 0.60467287972241 0.92075878526685 12.011 16 C 0.11230489604062 0.39532712027759 0.07924121473315 12.011 *17 Br 0.97873558556641 0.02126441443359 0.75000000000000 79.904 *18 Br 0.36285701621797 0.11722023198450 0.22761041488959 79.904 19 Br 0.11722023198450 0.36285701621797 0.72761041488959 79.904 *20 Br 0.35771309214528 0.64228690785472 0.25000000000000 79.904 *21 Br 0.12043271323634 0.33698807265806 0.40645535516395 79.904 *22 Br 0.29916017880557 0.61554626294923 0.97961010517018 79.904 *23 Br 0.69718395100556 0.30281604899444 0.25000000000000 79.904 24 Br 0.38445373705077 0.70083982119443 0.52038989482982 79.904 25 Br 0.64228690785472 0.35771309214528 0.75000000000000 79.904 26 Br 0.66301192734194 0.87956728676366 0.09354464483605 79.904 27 Br 0.30281604899444 0.69718395100556 0.75000000000000 79.904 28 Br 0.33698807265806 0.12043271323634 0.90645535516395 79.904 29 Br 0.88277976801550 0.63714298378203 0.27238958511041 79.904 *30 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 31 Br 0.02126441443359 0.97873558556641 0.25000000000000 79.904 32 Br 0.70083982119443 0.38445373705077 0.02038989482982 79.904 33 Br 0.87956728676366 0.66301192734194 0.59354464483605 79.904 34 Br 0.61554626294923 0.29916017880557 0.47961010517018 79.904 35 Br 0.63714298378203 0.88277976801550 0.77238958511041 79.904 36 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.133661890026270 0.000000000000000 0.000000000000000 b 0.000000000000000 10.762307290000001 0.000000000000000 c -4.182327608043286 0.000000000000000 13.818294243642049 Atomic positions (fractional): *1 La 0.86079252139497 0.52256269298183 0.59435646316444 138.905 > 1 *2 La 0.64855390374470 0.36106038835213 0.67518765375072 138.905 > 2 *3 La 0.84852210365059 0.83312342512527 0.08785285175577 138.905 > 3 4 La 0.35144609625530 0.63893961164787 0.32481234624928 138.905 > 4 5 La 0.15147789634941 0.16687657487473 0.91214714824423 138.905 > 5 6 La 0.15147789634941 0.83312342512527 0.41214714824423 138.905 > 6 7 La 0.84852210365059 0.16687657487473 0.58785285175577 138.905 > 7 8 La 0.64855390374470 0.63893961164787 0.17518765375072 138.905 > 8 9 La 0.13920747860503 0.47743730701817 0.40564353683556 138.905 > 9 10 La 0.86079252139497 0.47743730701817 0.09435646316444 138.905 > 10 11 La 0.13920747860503 0.52256269298183 0.90564353683556 138.905 > 11 12 La 0.35144609625530 0.36106038835213 0.82481234624928 138.905 > 12 13 La 0.36079252139497 0.02256269298182 0.59435646316444 138.905 > 1 14 La 0.14855390374470 0.86106038835213 0.67518765375072 138.905 > 2 15 La 0.34852210365059 0.33312342512527 0.08785285175577 138.905 > 3 16 La 0.85144609625530 0.13893961164787 0.32481234624928 138.905 > 4 17 La 0.65147789634941 0.66687657487473 0.91214714824423 138.905 > 5 18 La 0.65147789634941 0.33312342512527 0.41214714824423 138.905 > 6 19 La 0.34852210365059 0.66687657487473 0.58785285175577 138.905 > 7 20 La 0.14855390374470 0.13893961164787 0.17518765375072 138.905 > 8 21 La 0.63920747860503 0.97743730701817 0.40564353683556 138.905 > 9 22 La 0.36079252139497 0.97743730701817 0.09435646316444 138.905 > 10 23 La 0.63920747860503 0.02256269298182 0.90564353683556 138.905 > 11 24 La 0.85144609625530 0.86106038835213 0.82481234624928 138.905 > 12 *25 C 0.24618399184089 0.64151111211848 0.42075878526685 12.011 > 13 26 C 0.75381600815911 0.35848888788152 0.57924121473315 12.011 > 14 27 C 0.24618399184089 0.35848888788152 0.92075878526685 12.011 > 15 28 C 0.75381600815911 0.64151111211848 0.07924121473315 12.011 > 16 29 C 0.74618399184089 0.14151111211848 0.42075878526685 12.011 > 13 30 C 0.25381600815911 0.85848888788152 0.57924121473315 12.011 > 14 31 C 0.74618399184089 0.85848888788152 0.92075878526685 12.011 > 15 32 C 0.25381600815911 0.14151111211848 0.07924121473315 12.011 > 16 *33 Br 0.00000000000000 0.02126441443359 0.75000000000000 79.904 > 17 *34 Br 0.74003862410123 0.37718160788326 0.22761041488959 79.904 > 18 35 Br 0.74003862410123 0.62281839211674 0.72761041488959 79.904 > 19 *36 Br 0.00000000000000 0.64228690785472 0.25000000000000 79.904 > 20 *37 Br 0.72871039294720 0.60827767971086 0.40645535516395 79.904 > 21 *38 Br 0.95735322087740 0.65819304207183 0.97961010517018 79.904 > 22 *39 Br 0.00000000000000 0.30281604899444 0.25000000000000 79.904 > 23 40 Br 0.04264677912260 0.65819304207183 0.52038989482982 79.904 > 24 41 Br 0.00000000000000 0.35771309214528 0.75000000000000 79.904 > 25 42 Br 0.27128960705280 0.60827767971086 0.09354464483605 79.904 > 26 43 Br 0.00000000000000 0.69718395100556 0.75000000000000 79.904 > 27 44 Br 0.72871039294720 0.39172232028914 0.90645535516395 79.904 > 28 45 Br 0.25996137589877 0.37718160788326 0.27238958511041 79.904 > 29 *46 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 30 47 Br 0.00000000000000 0.97873558556641 0.25000000000000 79.904 > 31 48 Br 0.04264677912260 0.34180695792817 0.02038989482982 79.904 > 32 49 Br 0.27128960705280 0.39172232028914 0.59354464483605 79.904 > 33 50 Br 0.95735322087740 0.34180695792817 0.47961010517018 79.904 > 34 51 Br 0.25996137589877 0.62281839211674 0.77238958511041 79.904 > 35 52 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 36 53 Br 0.50000000000000 0.52126441443359 0.75000000000000 79.904 > 17 54 Br 0.24003862410123 0.87718160788326 0.22761041488959 79.904 > 18 55 Br 0.24003862410123 0.12281839211674 0.72761041488959 79.904 > 19 56 Br 0.50000000000000 0.14228690785472 0.25000000000000 79.904 > 20 57 Br 0.22871039294720 0.10827767971086 0.40645535516395 79.904 > 21 58 Br 0.45735322087740 0.15819304207183 0.97961010517018 79.904 > 22 59 Br 0.50000000000000 0.80281604899444 0.25000000000000 79.904 > 23 60 Br 0.54264677912260 0.15819304207183 0.52038989482982 79.904 > 24 61 Br 0.50000000000000 0.85771309214528 0.75000000000000 79.904 > 25 62 Br 0.77128960705280 0.10827767971086 0.09354464483605 79.904 > 26 63 Br 0.50000000000000 0.19718395100556 0.75000000000000 79.904 > 27 64 Br 0.22871039294720 0.89172232028914 0.90645535516395 79.904 > 28 65 Br 0.75996137589877 0.87718160788326 0.27238958511041 79.904 > 29 66 Br 0.50000000000000 0.50000000000000 0.00000000000000 79.904 > 30 67 Br 0.50000000000000 0.47873558556641 0.25000000000000 79.904 > 31 68 Br 0.54264677912260 0.84180695792817 0.02038989482982 79.904 > 32 69 Br 0.77128960705280 0.89172232028914 0.59354464483605 79.904 > 33 70 Br 0.45735322087740 0.84180695792817 0.47961010517018 79.904 > 34 71 Br 0.75996137589877 0.12281839211674 0.77238958511041 79.904 > 35 72 Br 0.50000000000000 0.50000000000000 0.50000000000000 79.904 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.133661890026270 0.000000000000000 0.000000000000000 b 0.000000000000000 21.524614580000001 0.000000000000000 c -4.182327608043286 0.000000000000000 13.818294243642049 Atomic positions (fractional): *1 La 0.86079252139497 0.26128134649091 0.59435646316444 138.905 > 1 2 La 0.86079252139497 0.76128134649091 0.59435646316444 138.905 > 1 *3 La 0.64855390374470 0.18053019417606 0.67518765375072 138.905 > 2 4 La 0.64855390374470 0.68053019417606 0.67518765375072 138.905 > 2 *5 La 0.84852210365059 0.41656171256263 0.08785285175577 138.905 > 3 6 La 0.84852210365059 0.91656171256263 0.08785285175577 138.905 > 3 7 La 0.35144609625530 0.31946980582394 0.32481234624928 138.905 > 4 8 La 0.35144609625530 0.81946980582394 0.32481234624928 138.905 > 4 9 La 0.15147789634941 0.08343828743737 0.91214714824423 138.905 > 5 10 La 0.15147789634941 0.58343828743737 0.91214714824423 138.905 > 5 11 La 0.15147789634941 0.41656171256263 0.41214714824423 138.905 > 6 12 La 0.15147789634941 0.91656171256263 0.41214714824423 138.905 > 6 13 La 0.84852210365059 0.08343828743737 0.58785285175577 138.905 > 7 14 La 0.84852210365059 0.58343828743737 0.58785285175577 138.905 > 7 15 La 0.64855390374470 0.31946980582394 0.17518765375072 138.905 > 8 16 La 0.64855390374470 0.81946980582394 0.17518765375072 138.905 > 8 17 La 0.13920747860503 0.23871865350909 0.40564353683556 138.905 > 9 18 La 0.13920747860503 0.73871865350909 0.40564353683556 138.905 > 9 19 La 0.86079252139497 0.23871865350909 0.09435646316444 138.905 > 10 20 La 0.86079252139497 0.73871865350909 0.09435646316444 138.905 > 10 21 La 0.13920747860503 0.26128134649091 0.90564353683556 138.905 > 11 22 La 0.13920747860503 0.76128134649091 0.90564353683556 138.905 > 11 23 La 0.35144609625530 0.18053019417606 0.82481234624928 138.905 > 12 24 La 0.35144609625530 0.68053019417606 0.82481234624928 138.905 > 12 25 La 0.36079252139497 0.01128134649091 0.59435646316444 138.905 > 1 26 La 0.36079252139497 0.51128134649091 0.59435646316444 138.905 > 1 27 La 0.14855390374470 0.43053019417606 0.67518765375072 138.905 > 2 28 La 0.14855390374470 0.93053019417606 0.67518765375072 138.905 > 2 29 La 0.34852210365059 0.16656171256263 0.08785285175577 138.905 > 3 30 La 0.34852210365059 0.66656171256263 0.08785285175577 138.905 > 3 31 La 0.85144609625530 0.06946980582394 0.32481234624928 138.905 > 4 32 La 0.85144609625530 0.56946980582394 0.32481234624928 138.905 > 4 33 La 0.65147789634941 0.33343828743737 0.91214714824423 138.905 > 5 34 La 0.65147789634941 0.83343828743737 0.91214714824423 138.905 > 5 35 La 0.65147789634941 0.16656171256263 0.41214714824423 138.905 > 6 36 La 0.65147789634941 0.66656171256263 0.41214714824423 138.905 > 6 37 La 0.34852210365059 0.33343828743737 0.58785285175577 138.905 > 7 38 La 0.34852210365059 0.83343828743737 0.58785285175577 138.905 > 7 39 La 0.14855390374470 0.06946980582394 0.17518765375072 138.905 > 8 40 La 0.14855390374470 0.56946980582394 0.17518765375072 138.905 > 8 41 La 0.63920747860503 0.48871865350909 0.40564353683556 138.905 > 9 42 La 0.63920747860503 0.98871865350909 0.40564353683556 138.905 > 9 43 La 0.36079252139497 0.48871865350909 0.09435646316444 138.905 > 10 44 La 0.36079252139497 0.98871865350909 0.09435646316444 138.905 > 10 45 La 0.63920747860503 0.01128134649091 0.90564353683556 138.905 > 11 46 La 0.63920747860503 0.51128134649091 0.90564353683556 138.905 > 11 47 La 0.85144609625530 0.43053019417606 0.82481234624928 138.905 > 12 48 La 0.85144609625530 0.93053019417606 0.82481234624928 138.905 > 12 *49 C 0.24618399184089 0.32075555605924 0.42075878526685 12.011 > 13 50 C 0.24618399184089 0.82075555605924 0.42075878526685 12.011 > 13 51 C 0.75381600815911 0.17924444394076 0.57924121473315 12.011 > 14 52 C 0.75381600815911 0.67924444394076 0.57924121473315 12.011 > 14 53 C 0.24618399184089 0.17924444394076 0.92075878526685 12.011 > 15 54 C 0.24618399184089 0.67924444394076 0.92075878526685 12.011 > 15 55 C 0.75381600815911 0.32075555605924 0.07924121473315 12.011 > 16 56 C 0.75381600815911 0.82075555605924 0.07924121473315 12.011 > 16 57 C 0.74618399184089 0.07075555605924 0.42075878526685 12.011 > 13 58 C 0.74618399184089 0.57075555605924 0.42075878526685 12.011 > 13 59 C 0.25381600815911 0.42924444394076 0.57924121473315 12.011 > 14 60 C 0.25381600815911 0.92924444394076 0.57924121473315 12.011 > 14 61 C 0.74618399184089 0.42924444394076 0.92075878526685 12.011 > 15 62 C 0.74618399184089 0.92924444394076 0.92075878526685 12.011 > 15 63 C 0.25381600815911 0.07075555605924 0.07924121473315 12.011 > 16 64 C 0.25381600815911 0.57075555605924 0.07924121473315 12.011 > 16 *65 Br 0.00000000000000 0.01063220721679 0.75000000000000 79.904 > 17 66 Br 0.00000000000000 0.51063220721679 0.75000000000000 79.904 > 17 *67 Br 0.74003862410123 0.18859080394163 0.22761041488959 79.904 > 18 68 Br 0.74003862410123 0.68859080394163 0.22761041488959 79.904 > 18 69 Br 0.74003862410123 0.31140919605837 0.72761041488959 79.904 > 19 70 Br 0.74003862410123 0.81140919605837 0.72761041488959 79.904 > 19 *71 Br 0.00000000000000 0.32114345392736 0.25000000000000 79.904 > 20 72 Br 0.00000000000000 0.82114345392736 0.25000000000000 79.904 > 20 *73 Br 0.72871039294720 0.30413883985543 0.40645535516395 79.904 > 21 74 Br 0.72871039294720 0.80413883985543 0.40645535516395 79.904 > 21 *75 Br 0.95735322087740 0.32909652103592 0.97961010517018 79.904 > 22 76 Br 0.95735322087740 0.82909652103592 0.97961010517018 79.904 > 22 *77 Br 0.00000000000000 0.15140802449722 0.25000000000000 79.904 > 23 78 Br 0.00000000000000 0.65140802449722 0.25000000000000 79.904 > 23 79 Br 0.04264677912260 0.32909652103592 0.52038989482982 79.904 > 24 80 Br 0.04264677912260 0.82909652103592 0.52038989482982 79.904 > 24 81 Br 0.00000000000000 0.17885654607264 0.75000000000000 79.904 > 25 82 Br 0.00000000000000 0.67885654607264 0.75000000000000 79.904 > 25 83 Br 0.27128960705280 0.30413883985543 0.09354464483605 79.904 > 26 84 Br 0.27128960705280 0.80413883985543 0.09354464483605 79.904 > 26 85 Br 0.00000000000000 0.34859197550278 0.75000000000000 79.904 > 27 86 Br 0.00000000000000 0.84859197550278 0.75000000000000 79.904 > 27 87 Br 0.72871039294720 0.19586116014457 0.90645535516395 79.904 > 28 88 Br 0.72871039294720 0.69586116014457 0.90645535516395 79.904 > 28 89 Br 0.25996137589877 0.18859080394163 0.27238958511041 79.904 > 29 90 Br 0.25996137589877 0.68859080394163 0.27238958511041 79.904 > 29 *91 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 30 92 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 30 93 Br 0.00000000000000 0.48936779278321 0.25000000000000 79.904 > 31 94 Br 0.00000000000000 0.98936779278321 0.25000000000000 79.904 > 31 95 Br 0.04264677912260 0.17090347896409 0.02038989482982 79.904 > 32 96 Br 0.04264677912260 0.67090347896408 0.02038989482982 79.904 > 32 97 Br 0.27128960705280 0.19586116014457 0.59354464483605 79.904 > 33 98 Br 0.27128960705280 0.69586116014457 0.59354464483605 79.904 > 33 99 Br 0.95735322087740 0.17090347896409 0.47961010517018 79.904 > 34 100 Br 0.95735322087740 0.67090347896408 0.47961010517018 79.904 > 34 101 Br 0.25996137589877 0.31140919605837 0.77238958511041 79.904 > 35 102 Br 0.25996137589877 0.81140919605837 0.77238958511041 79.904 > 35 103 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 36 104 Br 0.00000000000000 0.50000000000000 0.50000000000000 79.904 > 36 105 Br 0.50000000000000 0.26063220721679 0.75000000000000 79.904 > 17 106 Br 0.50000000000000 0.76063220721679 0.75000000000000 79.904 > 17 107 Br 0.24003862410123 0.43859080394163 0.22761041488959 79.904 > 18 108 Br 0.24003862410123 0.93859080394163 0.22761041488959 79.904 > 18 109 Br 0.24003862410123 0.06140919605837 0.72761041488959 79.904 > 19 110 Br 0.24003862410123 0.56140919605837 0.72761041488959 79.904 > 19 111 Br 0.50000000000000 0.07114345392736 0.25000000000000 79.904 > 20 112 Br 0.50000000000000 0.57114345392736 0.25000000000000 79.904 > 20 113 Br 0.22871039294720 0.05413883985543 0.40645535516395 79.904 > 21 114 Br 0.22871039294720 0.55413883985543 0.40645535516395 79.904 > 21 115 Br 0.45735322087740 0.07909652103591 0.97961010517018 79.904 > 22 116 Br 0.45735322087740 0.57909652103592 0.97961010517018 79.904 > 22 117 Br 0.50000000000000 0.40140802449722 0.25000000000000 79.904 > 23 118 Br 0.50000000000000 0.90140802449722 0.25000000000000 79.904 > 23 119 Br 0.54264677912260 0.07909652103591 0.52038989482982 79.904 > 24 120 Br 0.54264677912260 0.57909652103592 0.52038989482982 79.904 > 24 121 Br 0.50000000000000 0.42885654607264 0.75000000000000 79.904 > 25 122 Br 0.50000000000000 0.92885654607264 0.75000000000000 79.904 > 25 123 Br 0.77128960705280 0.05413883985543 0.09354464483605 79.904 > 26 124 Br 0.77128960705280 0.55413883985543 0.09354464483605 79.904 > 26 125 Br 0.50000000000000 0.09859197550278 0.75000000000000 79.904 > 27 126 Br 0.50000000000000 0.59859197550278 0.75000000000000 79.904 > 27 127 Br 0.22871039294720 0.44586116014457 0.90645535516395 79.904 > 28 128 Br 0.22871039294720 0.94586116014457 0.90645535516395 79.904 > 28 129 Br 0.75996137589877 0.43859080394163 0.27238958511041 79.904 > 29 130 Br 0.75996137589877 0.93859080394163 0.27238958511041 79.904 > 29 131 Br 0.50000000000000 0.25000000000000 0.00000000000000 79.904 > 30 132 Br 0.50000000000000 0.75000000000000 0.00000000000000 79.904 > 30 133 Br 0.50000000000000 0.23936779278321 0.25000000000000 79.904 > 31 134 Br 0.50000000000000 0.73936779278321 0.25000000000000 79.904 > 31 135 Br 0.54264677912260 0.42090347896408 0.02038989482982 79.904 > 32 136 Br 0.54264677912260 0.92090347896408 0.02038989482982 79.904 > 32 137 Br 0.77128960705280 0.44586116014457 0.59354464483605 79.904 > 33 138 Br 0.77128960705280 0.94586116014457 0.59354464483605 79.904 > 33 139 Br 0.45735322087740 0.42090347896408 0.47961010517018 79.904 > 34 140 Br 0.45735322087740 0.92090347896408 0.47961010517018 79.904 > 34 141 Br 0.75996137589877 0.06140919605837 0.77238958511041 79.904 > 35 142 Br 0.75996137589877 0.56140919605837 0.77238958511041 79.904 > 35 143 Br 0.50000000000000 0.25000000000000 0.50000000000000 79.904 > 36 144 Br 0.50000000000000 0.75000000000000 0.50000000000000 79.904 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3939652 0.0000000 -0.1737144 0.0000000 5.3432040 0.0000000 -0.1737933 0.0000000 5.4551125 -------------------------- Born effective charges -------------------------- 1 La 3.8416091 0.8327903 0.3625201 0.6704459 3.8492585 0.2383031 0.2586322 0.2171812 3.6129291 2 La 4.2469305 -0.1718286 -1.0174959 -0.1910411 3.6104245 0.2059169 -0.9870424 0.1496783 4.1557308 3 La 3.0217770 0.5873544 0.3163929 0.4278048 3.8105313 0.1642396 0.3319257 0.0316524 4.0837485 4 La 4.2469305 -0.1718286 -1.0174959 -0.1910411 3.6104245 0.2059169 -0.9870424 0.1496783 4.1557308 5 La 3.0217770 0.5873544 0.3163929 0.4278048 3.8105313 0.1642396 0.3319257 0.0316524 4.0837485 6 La 3.0217770 -0.5873544 0.3163929 -0.4278048 3.8105313 -0.1642396 0.3319257 -0.0316524 4.0837485 7 La 3.0217770 -0.5873544 0.3163929 -0.4278048 3.8105313 -0.1642396 0.3319257 -0.0316524 4.0837485 8 La 4.2469305 0.1718286 -1.0174959 0.1910411 3.6104245 -0.2059169 -0.9870424 -0.1496783 4.1557308 9 La 3.8416091 0.8327903 0.3625201 0.6704459 3.8492585 0.2383031 0.2586322 0.2171812 3.6129291 10 La 3.8416091 -0.8327903 0.3625201 -0.6704459 3.8492585 -0.2383031 0.2586322 -0.2171812 3.6129291 11 La 3.8416091 -0.8327903 0.3625201 -0.6704459 3.8492585 -0.2383031 0.2586322 -0.2171812 3.6129291 12 La 4.2469305 0.1718286 -1.0174959 0.1910411 3.6104245 -0.2059169 -0.9870424 -0.1496783 4.1557308 13 C -4.3538058 -0.4110788 0.4422584 -0.2486682 -3.8282157 -0.4007395 0.4132964 -0.5003023 -3.7110655 14 C -4.3538058 -0.4110788 0.4422584 -0.2486682 -3.8282157 -0.4007395 0.4132964 -0.5003023 -3.7110655 15 C -4.3538058 0.4110788 0.4422584 0.2486682 -3.8282157 0.4007395 0.4132964 0.5003023 -3.7110655 16 C -4.3538058 0.4110788 0.4422584 0.2486682 -3.8282157 0.4007395 0.4132964 0.5003023 -3.7110655 17 Br -2.0388458 0.0000000 -0.0656601 0.0000000 -1.2536452 0.0000000 0.0630258 0.0000000 -1.6585115 18 Br -1.2108339 0.2065316 0.3533234 0.1975560 -1.7037905 0.6967437 0.4736616 0.7297263 -1.3109499 19 Br -1.2108339 -0.2065316 0.3533234 -0.1975560 -1.7037905 -0.6967437 0.4736616 -0.7297263 -1.3109499 20 Br -1.0456431 0.0000000 -0.9566388 0.0000000 -1.2867808 0.0000000 -0.9894072 0.0000000 -2.2012941 21 Br -0.6787911 -0.0065054 -0.2111572 0.0354994 -1.4405101 0.5504223 -0.4121387 0.3865145 -2.0871089 22 Br -1.5463043 0.3483092 0.4736424 0.4978188 -1.5224094 0.1659316 0.4145640 0.3457444 -1.2736376 23 Br -1.9801916 0.0000000 -0.0951788 0.0000000 -1.5587543 0.0000000 0.1720260 0.0000000 -1.4195860 24 Br -1.5463043 -0.3483092 0.4736424 -0.4978188 -1.5224094 -0.1659316 0.4145640 -0.3457444 -1.2736376 25 Br -1.0456431 0.0000000 -0.9566388 0.0000000 -1.2867808 0.0000000 -0.9894072 0.0000000 -2.2012941 26 Br -0.6787911 0.0065054 -0.2111572 -0.0354994 -1.4405101 -0.5504223 -0.4121387 -0.3865145 -2.0871089 27 Br -1.9801916 0.0000000 -0.0951788 0.0000000 -1.5587543 0.0000000 0.1720260 0.0000000 -1.4195860 28 Br -0.6787911 0.0065054 -0.2111572 -0.0354994 -1.4405101 -0.5504223 -0.4121387 -0.3865145 -2.0871089 29 Br -1.2108339 -0.2065316 0.3533234 -0.1975560 -1.7037905 -0.6967437 0.4736616 -0.7297263 -1.3109499 30 Br -1.5764824 -1.0370264 -0.3214904 -1.0471788 -1.4513971 -0.3943445 -0.2314422 -0.3262637 -1.6599014 31 Br -2.0388458 0.0000000 -0.0656601 0.0000000 -1.2536452 0.0000000 0.0630258 0.0000000 -1.6585115 32 Br -1.5463043 0.3483092 0.4736424 0.4978188 -1.5224094 0.1659316 0.4145640 0.3457444 -1.2736376 33 Br -0.6787911 -0.0065054 -0.2111572 0.0354994 -1.4405101 0.5504223 -0.4121387 0.3865145 -2.0871089 34 Br -1.5463043 -0.3483092 0.4736424 -0.4978188 -1.5224094 -0.1659316 0.4145640 -0.3457444 -1.2736376 35 Br -1.2108339 0.2065316 0.3533234 0.1975560 -1.7037905 0.6967437 0.4736616 0.7297263 -1.3109499 36 Br -1.5764824 1.0370264 -0.3214904 1.0471788 -1.4513971 0.3943445 -0.2314422 0.3262637 -1.6599014 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 28476/28476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6021 Number of blocks in projector: 6021 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: 1334 Use submatrix version of eigh solver. (1) Block: 500 / 1334 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1334 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1334 / 1334 (1) 321 eigenvectors found. (1) Complementary block size: 53 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1262 Use submatrix version of eigh solver. (1) Block: 500 / 1262 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1262 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1262 / 1262 (1) 249 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1262 Use submatrix version of eigh solver. (1) Block: 500 / 1262 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1262 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1262 / 1262 (1) 249 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 721 Use submatrix version of eigh solver. (1) Block: 500 / 721 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 721 / 721 (1) 210 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 721 Use submatrix version of eigh solver. (1) Block: 500 / 721 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 721 / 721 (1) 210 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 721 Use submatrix version of eigh solver. (1) Block: 500 / 721 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 721 / 721 (1) 210 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6021, 5935), data: False |-- (721, 710), data: False |-- (721, 11), data: (721, 22) @ (22, 11) |-- (221, 210), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (721, 710), data: False |-- (721, 11), data: (721, 22) @ (22, 11) |-- (221, 210), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (721, 710), data: False |-- (721, 11), data: (721, 22) @ (22, 11) |-- (221, 210), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1262, 1246), data: False |-- (1262, 29), data: (1262, 45) @ (45, 29) |-- (262, 249), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 236), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1262, 1246), data: False |-- (1262, 29), data: (1262, 45) @ (45, 29) |-- (262, 249), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 236), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1334, 1313), data: False |-- (1334, 32), data: (1334, 53) @ (53, 32) |-- (334, 321), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.862 Solver_block: 200 / 1120 - Time: 1.647 Solver_block: 300 / 1120 - Time: 1.648 Solver_block: 400 / 1120 - Time: 1.647 Solver_block: 500 / 1120 - Time: 1.647 Solver_block: 600 / 1120 - Time: 1.651 Solver_block: 700 / 1120 - Time: 1.651 Solver_block: 800 / 1120 - Time: 1.650 Solver_block: 900 / 1120 - Time: 1.652 Solver_block: 1000 / 1120 - Time: 1.648 Solver_block: 1100 / 1120 - Time: 1.654 Solver_block: 1120 / 1120 - Time: 0.552 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.399 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 28476/28476 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6021 Number of blocks in projector: 6021 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: 1334 Use submatrix version of eigh solver. (1) Block: 500 / 1334 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1000 / 1334 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1334 / 1334 (1) 321 eigenvectors found. (1) Complementary block size: 53 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1262 Use submatrix version of eigh solver. (1) Block: 500 / 1262 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1262 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1262 / 1262 (1) 249 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1262 Use submatrix version of eigh solver. (1) Block: 500 / 1262 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1262 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1262 / 1262 (1) 249 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 721 Use submatrix version of eigh solver. (1) Block: 500 / 721 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 21 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 721 / 721 (1) 210 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 721 Use submatrix version of eigh solver. (1) Block: 500 / 721 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 721 / 721 (1) 210 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 721 Use submatrix version of eigh solver. (1) Block: 500 / 721 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 721 / 721 (1) 210 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (6021, 5935), data: False |-- (721, 710), data: False |-- (721, 11), data: (721, 22) @ (22, 11) |-- (221, 210), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (721, 710), data: False |-- (721, 11), data: (721, 22) @ (22, 11) |-- (221, 210), data: True |-- (500, 489), data: False |-- (500, 9), data: (500, 20) @ (20, 9) |-- (250, 241), data: True |-- (250, 239), data: True |-- (721, 710), data: False |-- (721, 11), data: (721, 22) @ (22, 11) |-- (221, 210), data: True |-- (500, 489), data: False |-- (500, 10), data: (500, 21) @ (21, 10) |-- (250, 240), data: True |-- (250, 239), data: True |-- (1262, 1246), data: False |-- (1262, 29), data: (1262, 45) @ (45, 29) |-- (262, 249), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 236), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1262, 1246), data: False |-- (1262, 29), data: (1262, 45) @ (45, 29) |-- (262, 249), data: True |-- (500, 484), data: False |-- (500, 10), data: (500, 26) @ (26, 10) |-- (250, 236), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1334, 1313), data: False |-- (1334, 32), data: (1334, 53) @ (53, 32) |-- (334, 321), data: True |-- (500, 481), data: False |-- (500, 15), data: (500, 34) @ (34, 15) |-- (250, 235), data: True |-- (250, 231), data: True |-- (500, 479), data: False |-- (500, 21), data: (500, 42) @ (42, 21) |-- (250, 229), data: True |-- (250, 229), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:02:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:02:55]------------------------- 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 2 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 7.066830945013135 -5.381153645000000 0.000000000000000 b 7.066830945013135 5.381153645000000 0.000000000000000 c -4.182327608043286 0.000000000000000 13.818294243642049 Atomic positions (fractional): 1 La 0.33822982841315 0.38335521437680 0.59435646316444 138.905 2 La 0.28749351539257 0.00961429209683 0.67518765375072 138.905 3 La 0.01539867852532 0.68164552877586 0.08785285175577 138.905 4 La 0.71250648460743 0.99038570790317 0.32481234624928 138.905 5 La 0.98460132147468 0.31835447122414 0.91214714824423 138.905 6 La 0.31835447122414 0.98460132147468 0.41214714824423 138.905 7 La 0.68164552877586 0.01539867852532 0.58785285175577 138.905 8 La 0.00961429209683 0.28749351539257 0.17518765375072 138.905 9 La 0.66177017158686 0.61664478562321 0.40564353683556 138.905 10 La 0.38335521437680 0.33822982841315 0.09435646316444 138.905 11 La 0.61664478562321 0.66177017158686 0.90564353683556 138.905 12 La 0.99038570790317 0.71250648460743 0.82481234624928 138.905 13 C 0.60467287972241 0.88769510395938 0.42075878526685 12.011 14 C 0.39532712027759 0.11230489604062 0.57924121473315 12.011 15 C 0.88769510395938 0.60467287972241 0.92075878526685 12.011 16 C 0.11230489604062 0.39532712027759 0.07924121473315 12.011 17 Br 0.97873558556641 0.02126441443359 0.75000000000000 79.904 18 Br 0.36285701621797 0.11722023198450 0.22761041488959 79.904 19 Br 0.11722023198450 0.36285701621797 0.72761041488959 79.904 20 Br 0.35771309214528 0.64228690785472 0.25000000000000 79.904 21 Br 0.12043271323634 0.33698807265806 0.40645535516395 79.904 22 Br 0.29916017880557 0.61554626294923 0.97961010517018 79.904 23 Br 0.69718395100556 0.30281604899444 0.25000000000000 79.904 24 Br 0.38445373705077 0.70083982119443 0.52038989482982 79.904 25 Br 0.64228690785472 0.35771309214528 0.75000000000000 79.904 26 Br 0.66301192734194 0.87956728676366 0.09354464483605 79.904 27 Br 0.30281604899444 0.69718395100556 0.75000000000000 79.904 28 Br 0.33698807265806 0.12043271323634 0.90645535516395 79.904 29 Br 0.88277976801550 0.63714298378203 0.27238958511041 79.904 30 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 31 Br 0.02126441443359 0.97873558556641 0.25000000000000 79.904 32 Br 0.70083982119443 0.38445373705077 0.02038989482982 79.904 33 Br 0.87956728676366 0.66301192734194 0.59354464483605 79.904 34 Br 0.61554626294923 0.29916017880557 0.47961010517018 79.904 35 Br 0.63714298378203 0.88277976801550 0.77238958511041 79.904 36 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.133661890026270 0.000000000000000 0.000000000000000 b 0.000000000000000 21.524614580000001 0.000000000000000 c -4.182327608043286 0.000000000000000 13.818294243642049 Atomic positions (fractional): 1 La 0.86079252139497 0.26128134649091 0.59435646316444 138.905 > 1 2 La 0.86079252139497 0.76128134649091 0.59435646316444 138.905 > 1 3 La 0.64855390374470 0.18053019417606 0.67518765375072 138.905 > 3 4 La 0.64855390374470 0.68053019417606 0.67518765375072 138.905 > 3 5 La 0.84852210365059 0.41656171256263 0.08785285175577 138.905 > 5 6 La 0.84852210365059 0.91656171256263 0.08785285175577 138.905 > 5 7 La 0.35144609625530 0.31946980582394 0.32481234624928 138.905 > 7 8 La 0.35144609625530 0.81946980582394 0.32481234624928 138.905 > 7 9 La 0.15147789634941 0.08343828743737 0.91214714824423 138.905 > 9 10 La 0.15147789634941 0.58343828743737 0.91214714824423 138.905 > 9 11 La 0.15147789634941 0.41656171256263 0.41214714824423 138.905 > 11 12 La 0.15147789634941 0.91656171256263 0.41214714824423 138.905 > 11 13 La 0.84852210365059 0.08343828743737 0.58785285175577 138.905 > 13 14 La 0.84852210365059 0.58343828743737 0.58785285175577 138.905 > 13 15 La 0.64855390374470 0.31946980582394 0.17518765375072 138.905 > 15 16 La 0.64855390374470 0.81946980582394 0.17518765375072 138.905 > 15 17 La 0.13920747860503 0.23871865350909 0.40564353683556 138.905 > 17 18 La 0.13920747860503 0.73871865350909 0.40564353683556 138.905 > 17 19 La 0.86079252139497 0.23871865350909 0.09435646316444 138.905 > 19 20 La 0.86079252139497 0.73871865350909 0.09435646316444 138.905 > 19 21 La 0.13920747860503 0.26128134649091 0.90564353683556 138.905 > 21 22 La 0.13920747860503 0.76128134649091 0.90564353683556 138.905 > 21 23 La 0.35144609625530 0.18053019417606 0.82481234624928 138.905 > 23 24 La 0.35144609625530 0.68053019417606 0.82481234624928 138.905 > 23 25 La 0.36079252139497 0.01128134649091 0.59435646316444 138.905 > 1 26 La 0.36079252139497 0.51128134649091 0.59435646316444 138.905 > 1 27 La 0.14855390374470 0.43053019417606 0.67518765375072 138.905 > 3 28 La 0.14855390374470 0.93053019417606 0.67518765375072 138.905 > 3 29 La 0.34852210365059 0.16656171256263 0.08785285175577 138.905 > 5 30 La 0.34852210365059 0.66656171256263 0.08785285175577 138.905 > 5 31 La 0.85144609625530 0.06946980582394 0.32481234624928 138.905 > 7 32 La 0.85144609625530 0.56946980582394 0.32481234624928 138.905 > 7 33 La 0.65147789634941 0.33343828743737 0.91214714824423 138.905 > 9 34 La 0.65147789634941 0.83343828743737 0.91214714824423 138.905 > 9 35 La 0.65147789634941 0.16656171256263 0.41214714824423 138.905 > 11 36 La 0.65147789634941 0.66656171256263 0.41214714824423 138.905 > 11 37 La 0.34852210365059 0.33343828743737 0.58785285175577 138.905 > 13 38 La 0.34852210365059 0.83343828743737 0.58785285175577 138.905 > 13 39 La 0.14855390374470 0.06946980582394 0.17518765375072 138.905 > 15 40 La 0.14855390374470 0.56946980582394 0.17518765375072 138.905 > 15 41 La 0.63920747860503 0.48871865350909 0.40564353683556 138.905 > 17 42 La 0.63920747860503 0.98871865350909 0.40564353683556 138.905 > 17 43 La 0.36079252139497 0.48871865350909 0.09435646316444 138.905 > 19 44 La 0.36079252139497 0.98871865350909 0.09435646316444 138.905 > 19 45 La 0.63920747860503 0.01128134649091 0.90564353683556 138.905 > 21 46 La 0.63920747860503 0.51128134649091 0.90564353683556 138.905 > 21 47 La 0.85144609625530 0.43053019417606 0.82481234624928 138.905 > 23 48 La 0.85144609625530 0.93053019417606 0.82481234624928 138.905 > 23 49 C 0.24618399184089 0.32075555605924 0.42075878526685 12.011 > 49 50 C 0.24618399184089 0.82075555605924 0.42075878526685 12.011 > 49 51 C 0.75381600815911 0.17924444394076 0.57924121473315 12.011 > 51 52 C 0.75381600815911 0.67924444394076 0.57924121473315 12.011 > 51 53 C 0.24618399184089 0.17924444394076 0.92075878526685 12.011 > 53 54 C 0.24618399184089 0.67924444394076 0.92075878526685 12.011 > 53 55 C 0.75381600815911 0.32075555605924 0.07924121473315 12.011 > 55 56 C 0.75381600815911 0.82075555605924 0.07924121473315 12.011 > 55 57 C 0.74618399184089 0.07075555605924 0.42075878526685 12.011 > 49 58 C 0.74618399184089 0.57075555605924 0.42075878526685 12.011 > 49 59 C 0.25381600815911 0.42924444394076 0.57924121473315 12.011 > 51 60 C 0.25381600815911 0.92924444394076 0.57924121473315 12.011 > 51 61 C 0.74618399184089 0.42924444394076 0.92075878526685 12.011 > 53 62 C 0.74618399184089 0.92924444394076 0.92075878526685 12.011 > 53 63 C 0.25381600815911 0.07075555605924 0.07924121473315 12.011 > 55 64 C 0.25381600815911 0.57075555605924 0.07924121473315 12.011 > 55 65 Br 0.00000000000000 0.01063220721679 0.75000000000000 79.904 > 65 66 Br 0.00000000000000 0.51063220721679 0.75000000000000 79.904 > 65 67 Br 0.74003862410123 0.18859080394163 0.22761041488959 79.904 > 67 68 Br 0.74003862410123 0.68859080394163 0.22761041488959 79.904 > 67 69 Br 0.74003862410123 0.31140919605837 0.72761041488959 79.904 > 69 70 Br 0.74003862410123 0.81140919605837 0.72761041488959 79.904 > 69 71 Br 0.00000000000000 0.32114345392736 0.25000000000000 79.904 > 71 72 Br 0.00000000000000 0.82114345392736 0.25000000000000 79.904 > 71 73 Br 0.72871039294720 0.30413883985543 0.40645535516395 79.904 > 73 74 Br 0.72871039294720 0.80413883985543 0.40645535516395 79.904 > 73 75 Br 0.95735322087740 0.32909652103592 0.97961010517018 79.904 > 75 76 Br 0.95735322087740 0.82909652103592 0.97961010517018 79.904 > 75 77 Br 0.00000000000000 0.15140802449722 0.25000000000000 79.904 > 77 78 Br 0.00000000000000 0.65140802449722 0.25000000000000 79.904 > 77 79 Br 0.04264677912260 0.32909652103592 0.52038989482982 79.904 > 79 80 Br 0.04264677912260 0.82909652103592 0.52038989482982 79.904 > 79 81 Br 0.00000000000000 0.17885654607264 0.75000000000000 79.904 > 81 82 Br 0.00000000000000 0.67885654607264 0.75000000000000 79.904 > 81 83 Br 0.27128960705280 0.30413883985543 0.09354464483605 79.904 > 83 84 Br 0.27128960705280 0.80413883985543 0.09354464483605 79.904 > 83 85 Br 0.00000000000000 0.34859197550278 0.75000000000000 79.904 > 85 86 Br 0.00000000000000 0.84859197550278 0.75000000000000 79.904 > 85 87 Br 0.72871039294720 0.19586116014457 0.90645535516395 79.904 > 87 88 Br 0.72871039294720 0.69586116014457 0.90645535516395 79.904 > 87 89 Br 0.25996137589877 0.18859080394163 0.27238958511041 79.904 > 89 90 Br 0.25996137589877 0.68859080394163 0.27238958511041 79.904 > 89 91 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 91 92 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 91 93 Br 0.00000000000000 0.48936779278321 0.25000000000000 79.904 > 93 94 Br 0.00000000000000 0.98936779278321 0.25000000000000 79.904 > 93 95 Br 0.04264677912260 0.17090347896409 0.02038989482982 79.904 > 95 96 Br 0.04264677912260 0.67090347896408 0.02038989482982 79.904 > 95 97 Br 0.27128960705280 0.19586116014457 0.59354464483605 79.904 > 97 98 Br 0.27128960705280 0.69586116014457 0.59354464483605 79.904 > 97 99 Br 0.95735322087740 0.17090347896409 0.47961010517018 79.904 > 99 100 Br 0.95735322087740 0.67090347896408 0.47961010517018 79.904 > 99 101 Br 0.25996137589877 0.31140919605837 0.77238958511041 79.904 > 101 102 Br 0.25996137589877 0.81140919605837 0.77238958511041 79.904 > 101 103 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 103 104 Br 0.00000000000000 0.50000000000000 0.50000000000000 79.904 > 103 105 Br 0.50000000000000 0.26063220721679 0.75000000000000 79.904 > 65 106 Br 0.50000000000000 0.76063220721679 0.75000000000000 79.904 > 65 107 Br 0.24003862410123 0.43859080394163 0.22761041488959 79.904 > 67 108 Br 0.24003862410123 0.93859080394163 0.22761041488959 79.904 > 67 109 Br 0.24003862410123 0.06140919605837 0.72761041488959 79.904 > 69 110 Br 0.24003862410123 0.56140919605837 0.72761041488959 79.904 > 69 111 Br 0.50000000000000 0.07114345392736 0.25000000000000 79.904 > 71 112 Br 0.50000000000000 0.57114345392736 0.25000000000000 79.904 > 71 113 Br 0.22871039294720 0.05413883985543 0.40645535516395 79.904 > 73 114 Br 0.22871039294720 0.55413883985543 0.40645535516395 79.904 > 73 115 Br 0.45735322087740 0.07909652103591 0.97961010517018 79.904 > 75 116 Br 0.45735322087740 0.57909652103592 0.97961010517018 79.904 > 75 117 Br 0.50000000000000 0.40140802449722 0.25000000000000 79.904 > 77 118 Br 0.50000000000000 0.90140802449722 0.25000000000000 79.904 > 77 119 Br 0.54264677912260 0.07909652103591 0.52038989482982 79.904 > 79 120 Br 0.54264677912260 0.57909652103592 0.52038989482982 79.904 > 79 121 Br 0.50000000000000 0.42885654607264 0.75000000000000 79.904 > 81 122 Br 0.50000000000000 0.92885654607264 0.75000000000000 79.904 > 81 123 Br 0.77128960705280 0.05413883985543 0.09354464483605 79.904 > 83 124 Br 0.77128960705280 0.55413883985543 0.09354464483605 79.904 > 83 125 Br 0.50000000000000 0.09859197550278 0.75000000000000 79.904 > 85 126 Br 0.50000000000000 0.59859197550278 0.75000000000000 79.904 > 85 127 Br 0.22871039294720 0.44586116014457 0.90645535516395 79.904 > 87 128 Br 0.22871039294720 0.94586116014457 0.90645535516395 79.904 > 87 129 Br 0.75996137589877 0.43859080394163 0.27238958511041 79.904 > 89 130 Br 0.75996137589877 0.93859080394163 0.27238958511041 79.904 > 89 131 Br 0.50000000000000 0.25000000000000 0.00000000000000 79.904 > 91 132 Br 0.50000000000000 0.75000000000000 0.00000000000000 79.904 > 91 133 Br 0.50000000000000 0.23936779278321 0.25000000000000 79.904 > 93 134 Br 0.50000000000000 0.73936779278321 0.25000000000000 79.904 > 93 135 Br 0.54264677912260 0.42090347896408 0.02038989482982 79.904 > 95 136 Br 0.54264677912260 0.92090347896408 0.02038989482982 79.904 > 95 137 Br 0.77128960705280 0.44586116014457 0.59354464483605 79.904 > 97 138 Br 0.77128960705280 0.94586116014457 0.59354464483605 79.904 > 97 139 Br 0.45735322087740 0.42090347896408 0.47961010517018 79.904 > 99 140 Br 0.45735322087740 0.92090347896408 0.47961010517018 79.904 > 99 141 Br 0.75996137589877 0.06140919605837 0.77238958511041 79.904 > 101 142 Br 0.75996137589877 0.56140919605837 0.77238958511041 79.904 > 101 143 Br 0.50000000000000 0.25000000000000 0.50000000000000 79.904 > 103 144 Br 0.50000000000000 0.75000000000000 0.50000000000000 79.904 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3939652 0.0000000 -0.1737144 0.0000000 5.3432040 0.0000000 -0.1737933 0.0000000 5.4551125 -------------------------- Born effective charges -------------------------- 1 La 3.8416091 0.8327903 0.3625201 0.6704459 3.8492585 0.2383031 0.2586322 0.2171812 3.6129291 2 La 4.2469305 -0.1718286 -1.0174959 -0.1910411 3.6104245 0.2059169 -0.9870424 0.1496783 4.1557308 3 La 3.0217770 0.5873544 0.3163929 0.4278048 3.8105313 0.1642396 0.3319257 0.0316524 4.0837485 4 La 4.2469305 -0.1718286 -1.0174959 -0.1910411 3.6104245 0.2059169 -0.9870424 0.1496783 4.1557308 5 La 3.0217770 0.5873544 0.3163929 0.4278048 3.8105313 0.1642396 0.3319257 0.0316524 4.0837485 6 La 3.0217770 -0.5873544 0.3163929 -0.4278048 3.8105313 -0.1642396 0.3319257 -0.0316524 4.0837485 7 La 3.0217770 -0.5873544 0.3163929 -0.4278048 3.8105313 -0.1642396 0.3319257 -0.0316524 4.0837485 8 La 4.2469305 0.1718286 -1.0174959 0.1910411 3.6104245 -0.2059169 -0.9870424 -0.1496783 4.1557308 9 La 3.8416091 0.8327903 0.3625201 0.6704459 3.8492585 0.2383031 0.2586322 0.2171812 3.6129291 10 La 3.8416091 -0.8327903 0.3625201 -0.6704459 3.8492585 -0.2383031 0.2586322 -0.2171812 3.6129291 11 La 3.8416091 -0.8327903 0.3625201 -0.6704459 3.8492585 -0.2383031 0.2586322 -0.2171812 3.6129291 12 La 4.2469305 0.1718286 -1.0174959 0.1910411 3.6104245 -0.2059169 -0.9870424 -0.1496783 4.1557308 13 C -4.3538058 -0.4110788 0.4422584 -0.2486682 -3.8282157 -0.4007395 0.4132964 -0.5003023 -3.7110655 14 C -4.3538058 -0.4110788 0.4422584 -0.2486682 -3.8282157 -0.4007395 0.4132964 -0.5003023 -3.7110655 15 C -4.3538058 0.4110788 0.4422584 0.2486682 -3.8282157 0.4007395 0.4132964 0.5003023 -3.7110655 16 C -4.3538058 0.4110788 0.4422584 0.2486682 -3.8282157 0.4007395 0.4132964 0.5003023 -3.7110655 17 Br -2.0388458 0.0000000 -0.0656601 0.0000000 -1.2536452 0.0000000 0.0630258 0.0000000 -1.6585115 18 Br -1.2108339 0.2065316 0.3533234 0.1975560 -1.7037905 0.6967437 0.4736616 0.7297263 -1.3109499 19 Br -1.2108339 -0.2065316 0.3533234 -0.1975560 -1.7037905 -0.6967437 0.4736616 -0.7297263 -1.3109499 20 Br -1.0456431 0.0000000 -0.9566388 0.0000000 -1.2867808 0.0000000 -0.9894072 0.0000000 -2.2012941 21 Br -0.6787911 -0.0065054 -0.2111572 0.0354994 -1.4405101 0.5504223 -0.4121387 0.3865145 -2.0871089 22 Br -1.5463043 0.3483092 0.4736424 0.4978188 -1.5224094 0.1659316 0.4145640 0.3457444 -1.2736376 23 Br -1.9801916 0.0000000 -0.0951788 0.0000000 -1.5587543 0.0000000 0.1720260 0.0000000 -1.4195860 24 Br -1.5463043 -0.3483092 0.4736424 -0.4978188 -1.5224094 -0.1659316 0.4145640 -0.3457444 -1.2736376 25 Br -1.0456431 0.0000000 -0.9566388 0.0000000 -1.2867808 0.0000000 -0.9894072 0.0000000 -2.2012941 26 Br -0.6787911 0.0065054 -0.2111572 -0.0354994 -1.4405101 -0.5504223 -0.4121387 -0.3865145 -2.0871089 27 Br -1.9801916 0.0000000 -0.0951788 0.0000000 -1.5587543 0.0000000 0.1720260 0.0000000 -1.4195860 28 Br -0.6787911 0.0065054 -0.2111572 -0.0354994 -1.4405101 -0.5504223 -0.4121387 -0.3865145 -2.0871089 29 Br -1.2108339 -0.2065316 0.3533234 -0.1975560 -1.7037905 -0.6967437 0.4736616 -0.7297263 -1.3109499 30 Br -1.5764824 -1.0370264 -0.3214904 -1.0471788 -1.4513971 -0.3943445 -0.2314422 -0.3262637 -1.6599014 31 Br -2.0388458 0.0000000 -0.0656601 0.0000000 -1.2536452 0.0000000 0.0630258 0.0000000 -1.6585115 32 Br -1.5463043 0.3483092 0.4736424 0.4978188 -1.5224094 0.1659316 0.4145640 0.3457444 -1.2736376 33 Br -0.6787911 -0.0065054 -0.2111572 0.0354994 -1.4405101 0.5504223 -0.4121387 0.3865145 -2.0871089 34 Br -1.5463043 -0.3483092 0.4736424 -0.4978188 -1.5224094 -0.1659316 0.4145640 -0.3457444 -1.2736376 35 Br -1.2108339 0.2065316 0.3533234 0.1975560 -1.7037905 0.6967437 0.4736616 0.7297263 -1.3109499 36 Br -1.5764824 1.0370264 -0.3214904 1.0471788 -1.4513971 0.3943445 -0.2314422 0.3262637 -1.6599014 ---------------------------------------------------------------------------- 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[ 3, 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 67, 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[ 71, 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 75, 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[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0029 0.0000 0.0096] [ 0.0029 0.0000 -0.0096] Computing fc3[ 91, 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: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:04:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:04:07]------------------------- 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 2 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 7.066830945013135 -5.381153645000000 0.000000000000000 b 7.066830945013135 5.381153645000000 0.000000000000000 c -4.182327608043286 0.000000000000000 13.818294243642049 Atomic positions (fractional): 1 La 0.33822982841315 0.38335521437680 0.59435646316444 138.905 2 La 0.28749351539257 0.00961429209683 0.67518765375072 138.905 3 La 0.01539867852532 0.68164552877586 0.08785285175577 138.905 4 La 0.71250648460743 0.99038570790317 0.32481234624928 138.905 5 La 0.98460132147468 0.31835447122414 0.91214714824423 138.905 6 La 0.31835447122414 0.98460132147468 0.41214714824423 138.905 7 La 0.68164552877586 0.01539867852532 0.58785285175577 138.905 8 La 0.00961429209683 0.28749351539257 0.17518765375072 138.905 9 La 0.66177017158686 0.61664478562321 0.40564353683556 138.905 10 La 0.38335521437680 0.33822982841315 0.09435646316444 138.905 11 La 0.61664478562321 0.66177017158686 0.90564353683556 138.905 12 La 0.99038570790317 0.71250648460743 0.82481234624928 138.905 13 C 0.60467287972241 0.88769510395938 0.42075878526685 12.011 14 C 0.39532712027759 0.11230489604062 0.57924121473315 12.011 15 C 0.88769510395938 0.60467287972241 0.92075878526685 12.011 16 C 0.11230489604062 0.39532712027759 0.07924121473315 12.011 17 Br 0.97873558556641 0.02126441443359 0.75000000000000 79.904 18 Br 0.36285701621797 0.11722023198450 0.22761041488959 79.904 19 Br 0.11722023198450 0.36285701621797 0.72761041488959 79.904 20 Br 0.35771309214528 0.64228690785472 0.25000000000000 79.904 21 Br 0.12043271323634 0.33698807265806 0.40645535516395 79.904 22 Br 0.29916017880557 0.61554626294923 0.97961010517018 79.904 23 Br 0.69718395100556 0.30281604899444 0.25000000000000 79.904 24 Br 0.38445373705077 0.70083982119443 0.52038989482982 79.904 25 Br 0.64228690785472 0.35771309214528 0.75000000000000 79.904 26 Br 0.66301192734194 0.87956728676366 0.09354464483605 79.904 27 Br 0.30281604899444 0.69718395100556 0.75000000000000 79.904 28 Br 0.33698807265806 0.12043271323634 0.90645535516395 79.904 29 Br 0.88277976801550 0.63714298378203 0.27238958511041 79.904 30 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 31 Br 0.02126441443359 0.97873558556641 0.25000000000000 79.904 32 Br 0.70083982119443 0.38445373705077 0.02038989482982 79.904 33 Br 0.87956728676366 0.66301192734194 0.59354464483605 79.904 34 Br 0.61554626294923 0.29916017880557 0.47961010517018 79.904 35 Br 0.63714298378203 0.88277976801550 0.77238958511041 79.904 36 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.133661890026270 0.000000000000000 0.000000000000000 b 0.000000000000000 21.524614580000001 0.000000000000000 c -4.182327608043286 0.000000000000000 13.818294243642049 Atomic positions (fractional): 1 La 0.86079252139497 0.26128134649091 0.59435646316444 138.905 > 1 2 La 0.86079252139497 0.76128134649091 0.59435646316444 138.905 > 1 3 La 0.64855390374470 0.18053019417606 0.67518765375072 138.905 > 3 4 La 0.64855390374470 0.68053019417606 0.67518765375072 138.905 > 3 5 La 0.84852210365059 0.41656171256263 0.08785285175577 138.905 > 5 6 La 0.84852210365059 0.91656171256263 0.08785285175577 138.905 > 5 7 La 0.35144609625530 0.31946980582394 0.32481234624928 138.905 > 7 8 La 0.35144609625530 0.81946980582394 0.32481234624928 138.905 > 7 9 La 0.15147789634941 0.08343828743737 0.91214714824423 138.905 > 9 10 La 0.15147789634941 0.58343828743737 0.91214714824423 138.905 > 9 11 La 0.15147789634941 0.41656171256263 0.41214714824423 138.905 > 11 12 La 0.15147789634941 0.91656171256263 0.41214714824423 138.905 > 11 13 La 0.84852210365059 0.08343828743737 0.58785285175577 138.905 > 13 14 La 0.84852210365059 0.58343828743737 0.58785285175577 138.905 > 13 15 La 0.64855390374470 0.31946980582394 0.17518765375072 138.905 > 15 16 La 0.64855390374470 0.81946980582394 0.17518765375072 138.905 > 15 17 La 0.13920747860503 0.23871865350909 0.40564353683556 138.905 > 17 18 La 0.13920747860503 0.73871865350909 0.40564353683556 138.905 > 17 19 La 0.86079252139497 0.23871865350909 0.09435646316444 138.905 > 19 20 La 0.86079252139497 0.73871865350909 0.09435646316444 138.905 > 19 21 La 0.13920747860503 0.26128134649091 0.90564353683556 138.905 > 21 22 La 0.13920747860503 0.76128134649091 0.90564353683556 138.905 > 21 23 La 0.35144609625530 0.18053019417606 0.82481234624928 138.905 > 23 24 La 0.35144609625530 0.68053019417606 0.82481234624928 138.905 > 23 25 La 0.36079252139497 0.01128134649091 0.59435646316444 138.905 > 1 26 La 0.36079252139497 0.51128134649091 0.59435646316444 138.905 > 1 27 La 0.14855390374470 0.43053019417606 0.67518765375072 138.905 > 3 28 La 0.14855390374470 0.93053019417606 0.67518765375072 138.905 > 3 29 La 0.34852210365059 0.16656171256263 0.08785285175577 138.905 > 5 30 La 0.34852210365059 0.66656171256263 0.08785285175577 138.905 > 5 31 La 0.85144609625530 0.06946980582394 0.32481234624928 138.905 > 7 32 La 0.85144609625530 0.56946980582394 0.32481234624928 138.905 > 7 33 La 0.65147789634941 0.33343828743737 0.91214714824423 138.905 > 9 34 La 0.65147789634941 0.83343828743737 0.91214714824423 138.905 > 9 35 La 0.65147789634941 0.16656171256263 0.41214714824423 138.905 > 11 36 La 0.65147789634941 0.66656171256263 0.41214714824423 138.905 > 11 37 La 0.34852210365059 0.33343828743737 0.58785285175577 138.905 > 13 38 La 0.34852210365059 0.83343828743737 0.58785285175577 138.905 > 13 39 La 0.14855390374470 0.06946980582394 0.17518765375072 138.905 > 15 40 La 0.14855390374470 0.56946980582394 0.17518765375072 138.905 > 15 41 La 0.63920747860503 0.48871865350909 0.40564353683556 138.905 > 17 42 La 0.63920747860503 0.98871865350909 0.40564353683556 138.905 > 17 43 La 0.36079252139497 0.48871865350909 0.09435646316444 138.905 > 19 44 La 0.36079252139497 0.98871865350909 0.09435646316444 138.905 > 19 45 La 0.63920747860503 0.01128134649091 0.90564353683556 138.905 > 21 46 La 0.63920747860503 0.51128134649091 0.90564353683556 138.905 > 21 47 La 0.85144609625530 0.43053019417606 0.82481234624928 138.905 > 23 48 La 0.85144609625530 0.93053019417606 0.82481234624928 138.905 > 23 49 C 0.24618399184089 0.32075555605924 0.42075878526685 12.011 > 49 50 C 0.24618399184089 0.82075555605924 0.42075878526685 12.011 > 49 51 C 0.75381600815911 0.17924444394076 0.57924121473315 12.011 > 51 52 C 0.75381600815911 0.67924444394076 0.57924121473315 12.011 > 51 53 C 0.24618399184089 0.17924444394076 0.92075878526685 12.011 > 53 54 C 0.24618399184089 0.67924444394076 0.92075878526685 12.011 > 53 55 C 0.75381600815911 0.32075555605924 0.07924121473315 12.011 > 55 56 C 0.75381600815911 0.82075555605924 0.07924121473315 12.011 > 55 57 C 0.74618399184089 0.07075555605924 0.42075878526685 12.011 > 49 58 C 0.74618399184089 0.57075555605924 0.42075878526685 12.011 > 49 59 C 0.25381600815911 0.42924444394076 0.57924121473315 12.011 > 51 60 C 0.25381600815911 0.92924444394076 0.57924121473315 12.011 > 51 61 C 0.74618399184089 0.42924444394076 0.92075878526685 12.011 > 53 62 C 0.74618399184089 0.92924444394076 0.92075878526685 12.011 > 53 63 C 0.25381600815911 0.07075555605924 0.07924121473315 12.011 > 55 64 C 0.25381600815911 0.57075555605924 0.07924121473315 12.011 > 55 65 Br 0.00000000000000 0.01063220721679 0.75000000000000 79.904 > 65 66 Br 0.00000000000000 0.51063220721679 0.75000000000000 79.904 > 65 67 Br 0.74003862410123 0.18859080394163 0.22761041488959 79.904 > 67 68 Br 0.74003862410123 0.68859080394163 0.22761041488959 79.904 > 67 69 Br 0.74003862410123 0.31140919605837 0.72761041488959 79.904 > 69 70 Br 0.74003862410123 0.81140919605837 0.72761041488959 79.904 > 69 71 Br 0.00000000000000 0.32114345392736 0.25000000000000 79.904 > 71 72 Br 0.00000000000000 0.82114345392736 0.25000000000000 79.904 > 71 73 Br 0.72871039294720 0.30413883985543 0.40645535516395 79.904 > 73 74 Br 0.72871039294720 0.80413883985543 0.40645535516395 79.904 > 73 75 Br 0.95735322087740 0.32909652103592 0.97961010517018 79.904 > 75 76 Br 0.95735322087740 0.82909652103592 0.97961010517018 79.904 > 75 77 Br 0.00000000000000 0.15140802449722 0.25000000000000 79.904 > 77 78 Br 0.00000000000000 0.65140802449722 0.25000000000000 79.904 > 77 79 Br 0.04264677912260 0.32909652103592 0.52038989482982 79.904 > 79 80 Br 0.04264677912260 0.82909652103592 0.52038989482982 79.904 > 79 81 Br 0.00000000000000 0.17885654607264 0.75000000000000 79.904 > 81 82 Br 0.00000000000000 0.67885654607264 0.75000000000000 79.904 > 81 83 Br 0.27128960705280 0.30413883985543 0.09354464483605 79.904 > 83 84 Br 0.27128960705280 0.80413883985543 0.09354464483605 79.904 > 83 85 Br 0.00000000000000 0.34859197550278 0.75000000000000 79.904 > 85 86 Br 0.00000000000000 0.84859197550278 0.75000000000000 79.904 > 85 87 Br 0.72871039294720 0.19586116014457 0.90645535516395 79.904 > 87 88 Br 0.72871039294720 0.69586116014457 0.90645535516395 79.904 > 87 89 Br 0.25996137589877 0.18859080394163 0.27238958511041 79.904 > 89 90 Br 0.25996137589877 0.68859080394163 0.27238958511041 79.904 > 89 91 Br 0.00000000000000 0.00000000000000 0.00000000000000 79.904 > 91 92 Br 0.00000000000000 0.50000000000000 0.00000000000000 79.904 > 91 93 Br 0.00000000000000 0.48936779278321 0.25000000000000 79.904 > 93 94 Br 0.00000000000000 0.98936779278321 0.25000000000000 79.904 > 93 95 Br 0.04264677912260 0.17090347896409 0.02038989482982 79.904 > 95 96 Br 0.04264677912260 0.67090347896408 0.02038989482982 79.904 > 95 97 Br 0.27128960705280 0.19586116014457 0.59354464483605 79.904 > 97 98 Br 0.27128960705280 0.69586116014457 0.59354464483605 79.904 > 97 99 Br 0.95735322087740 0.17090347896409 0.47961010517018 79.904 > 99 100 Br 0.95735322087740 0.67090347896408 0.47961010517018 79.904 > 99 101 Br 0.25996137589877 0.31140919605837 0.77238958511041 79.904 > 101 102 Br 0.25996137589877 0.81140919605837 0.77238958511041 79.904 > 101 103 Br 0.00000000000000 0.00000000000000 0.50000000000000 79.904 > 103 104 Br 0.00000000000000 0.50000000000000 0.50000000000000 79.904 > 103 105 Br 0.50000000000000 0.26063220721679 0.75000000000000 79.904 > 65 106 Br 0.50000000000000 0.76063220721679 0.75000000000000 79.904 > 65 107 Br 0.24003862410123 0.43859080394163 0.22761041488959 79.904 > 67 108 Br 0.24003862410123 0.93859080394163 0.22761041488959 79.904 > 67 109 Br 0.24003862410123 0.06140919605837 0.72761041488959 79.904 > 69 110 Br 0.24003862410123 0.56140919605837 0.72761041488959 79.904 > 69 111 Br 0.50000000000000 0.07114345392736 0.25000000000000 79.904 > 71 112 Br 0.50000000000000 0.57114345392736 0.25000000000000 79.904 > 71 113 Br 0.22871039294720 0.05413883985543 0.40645535516395 79.904 > 73 114 Br 0.22871039294720 0.55413883985543 0.40645535516395 79.904 > 73 115 Br 0.45735322087740 0.07909652103591 0.97961010517018 79.904 > 75 116 Br 0.45735322087740 0.57909652103592 0.97961010517018 79.904 > 75 117 Br 0.50000000000000 0.40140802449722 0.25000000000000 79.904 > 77 118 Br 0.50000000000000 0.90140802449722 0.25000000000000 79.904 > 77 119 Br 0.54264677912260 0.07909652103591 0.52038989482982 79.904 > 79 120 Br 0.54264677912260 0.57909652103592 0.52038989482982 79.904 > 79 121 Br 0.50000000000000 0.42885654607264 0.75000000000000 79.904 > 81 122 Br 0.50000000000000 0.92885654607264 0.75000000000000 79.904 > 81 123 Br 0.77128960705280 0.05413883985543 0.09354464483605 79.904 > 83 124 Br 0.77128960705280 0.55413883985543 0.09354464483605 79.904 > 83 125 Br 0.50000000000000 0.09859197550278 0.75000000000000 79.904 > 85 126 Br 0.50000000000000 0.59859197550278 0.75000000000000 79.904 > 85 127 Br 0.22871039294720 0.44586116014457 0.90645535516395 79.904 > 87 128 Br 0.22871039294720 0.94586116014457 0.90645535516395 79.904 > 87 129 Br 0.75996137589877 0.43859080394163 0.27238958511041 79.904 > 89 130 Br 0.75996137589877 0.93859080394163 0.27238958511041 79.904 > 89 131 Br 0.50000000000000 0.25000000000000 0.00000000000000 79.904 > 91 132 Br 0.50000000000000 0.75000000000000 0.00000000000000 79.904 > 91 133 Br 0.50000000000000 0.23936779278321 0.25000000000000 79.904 > 93 134 Br 0.50000000000000 0.73936779278321 0.25000000000000 79.904 > 93 135 Br 0.54264677912260 0.42090347896408 0.02038989482982 79.904 > 95 136 Br 0.54264677912260 0.92090347896408 0.02038989482982 79.904 > 95 137 Br 0.77128960705280 0.44586116014457 0.59354464483605 79.904 > 97 138 Br 0.77128960705280 0.94586116014457 0.59354464483605 79.904 > 97 139 Br 0.45735322087740 0.42090347896408 0.47961010517018 79.904 > 99 140 Br 0.45735322087740 0.92090347896408 0.47961010517018 79.904 > 99 141 Br 0.75996137589877 0.06140919605837 0.77238958511041 79.904 > 101 142 Br 0.75996137589877 0.56140919605837 0.77238958511041 79.904 > 101 143 Br 0.50000000000000 0.25000000000000 0.50000000000000 79.904 > 103 144 Br 0.50000000000000 0.75000000000000 0.50000000000000 79.904 > 103 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3939652 0.0000000 -0.1737144 0.0000000 5.3432040 0.0000000 -0.1737933 0.0000000 5.4551125 -------------------------- Born effective charges -------------------------- 1 La 3.8416091 0.8327903 0.3625201 0.6704459 3.8492585 0.2383031 0.2586322 0.2171812 3.6129291 2 La 4.2469305 -0.1718286 -1.0174959 -0.1910411 3.6104245 0.2059169 -0.9870424 0.1496783 4.1557308 3 La 3.0217770 0.5873544 0.3163929 0.4278048 3.8105313 0.1642396 0.3319257 0.0316524 4.0837485 4 La 4.2469305 -0.1718286 -1.0174959 -0.1910411 3.6104245 0.2059169 -0.9870424 0.1496783 4.1557308 5 La 3.0217770 0.5873544 0.3163929 0.4278048 3.8105313 0.1642396 0.3319257 0.0316524 4.0837485 6 La 3.0217770 -0.5873544 0.3163929 -0.4278048 3.8105313 -0.1642396 0.3319257 -0.0316524 4.0837485 7 La 3.0217770 -0.5873544 0.3163929 -0.4278048 3.8105313 -0.1642396 0.3319257 -0.0316524 4.0837485 8 La 4.2469305 0.1718286 -1.0174959 0.1910411 3.6104245 -0.2059169 -0.9870424 -0.1496783 4.1557308 9 La 3.8416091 0.8327903 0.3625201 0.6704459 3.8492585 0.2383031 0.2586322 0.2171812 3.6129291 10 La 3.8416091 -0.8327903 0.3625201 -0.6704459 3.8492585 -0.2383031 0.2586322 -0.2171812 3.6129291 11 La 3.8416091 -0.8327903 0.3625201 -0.6704459 3.8492585 -0.2383031 0.2586322 -0.2171812 3.6129291 12 La 4.2469305 0.1718286 -1.0174959 0.1910411 3.6104245 -0.2059169 -0.9870424 -0.1496783 4.1557308 13 C -4.3538058 -0.4110788 0.4422584 -0.2486682 -3.8282157 -0.4007395 0.4132964 -0.5003023 -3.7110655 14 C -4.3538058 -0.4110788 0.4422584 -0.2486682 -3.8282157 -0.4007395 0.4132964 -0.5003023 -3.7110655 15 C -4.3538058 0.4110788 0.4422584 0.2486682 -3.8282157 0.4007395 0.4132964 0.5003023 -3.7110655 16 C -4.3538058 0.4110788 0.4422584 0.2486682 -3.8282157 0.4007395 0.4132964 0.5003023 -3.7110655 17 Br -2.0388458 0.0000000 -0.0656601 0.0000000 -1.2536452 0.0000000 0.0630258 0.0000000 -1.6585115 18 Br -1.2108339 0.2065316 0.3533234 0.1975560 -1.7037905 0.6967437 0.4736616 0.7297263 -1.3109499 19 Br -1.2108339 -0.2065316 0.3533234 -0.1975560 -1.7037905 -0.6967437 0.4736616 -0.7297263 -1.3109499 20 Br -1.0456431 0.0000000 -0.9566388 0.0000000 -1.2867808 0.0000000 -0.9894072 0.0000000 -2.2012941 21 Br -0.6787911 -0.0065054 -0.2111572 0.0354994 -1.4405101 0.5504223 -0.4121387 0.3865145 -2.0871089 22 Br -1.5463043 0.3483092 0.4736424 0.4978188 -1.5224094 0.1659316 0.4145640 0.3457444 -1.2736376 23 Br -1.9801916 0.0000000 -0.0951788 0.0000000 -1.5587543 0.0000000 0.1720260 0.0000000 -1.4195860 24 Br -1.5463043 -0.3483092 0.4736424 -0.4978188 -1.5224094 -0.1659316 0.4145640 -0.3457444 -1.2736376 25 Br -1.0456431 0.0000000 -0.9566388 0.0000000 -1.2867808 0.0000000 -0.9894072 0.0000000 -2.2012941 26 Br -0.6787911 0.0065054 -0.2111572 -0.0354994 -1.4405101 -0.5504223 -0.4121387 -0.3865145 -2.0871089 27 Br -1.9801916 0.0000000 -0.0951788 0.0000000 -1.5587543 0.0000000 0.1720260 0.0000000 -1.4195860 28 Br -0.6787911 0.0065054 -0.2111572 -0.0354994 -1.4405101 -0.5504223 -0.4121387 -0.3865145 -2.0871089 29 Br -1.2108339 -0.2065316 0.3533234 -0.1975560 -1.7037905 -0.6967437 0.4736616 -0.7297263 -1.3109499 30 Br -1.5764824 -1.0370264 -0.3214904 -1.0471788 -1.4513971 -0.3943445 -0.2314422 -0.3262637 -1.6599014 31 Br -2.0388458 0.0000000 -0.0656601 0.0000000 -1.2536452 0.0000000 0.0630258 0.0000000 -1.6585115 32 Br -1.5463043 0.3483092 0.4736424 0.4978188 -1.5224094 0.1659316 0.4145640 0.3457444 -1.2736376 33 Br -0.6787911 -0.0065054 -0.2111572 0.0354994 -1.4405101 0.5504223 -0.4121387 0.3865145 -2.0871089 34 Br -1.5463043 -0.3483092 0.4736424 -0.4978188 -1.5224094 -0.1659316 0.4145640 -0.3457444 -1.2736376 35 Br -1.2108339 0.2065316 0.3533234 0.1975560 -1.7037905 0.6967437 0.4736616 0.7297263 -1.3109499 36 Br -1.5764824 1.0370264 -0.3214904 1.0471788 -1.4513971 0.3943445 -0.2314422 0.3262637 -1.6599014 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.41, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/47) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.737 ( 0.000 0.000 0.000) 0.000 0.781 ( 0.000 0.000 0.000) 0.000 0.951 ( 0.000 0.000 0.000) 0.000 0.976 ( 0.000 0.000 0.000) 0.000 1.059 ( 0.000 0.000 0.000) 0.000 1.205 ( 0.000 0.000 0.000) 0.000 1.212 ( 0.000 0.000 0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.501 ( 0.000 0.000 0.000) 0.000 1.515 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.698 ( 0.000 0.000 0.000) 0.000 1.713 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.883 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 1.942 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.079 ( 0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.446 ( 0.000 0.000 0.000) 0.000 2.459 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.795 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.048 ( 0.000 0.000 0.000) 0.000 3.104 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.177 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.376 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.386 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 0.000 0.000) 0.000 3.680 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.827 ( 0.000 0.000 0.000) 0.000 3.828 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 3.961 ( 0.000 0.000 0.000) 0.000 3.974 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.222 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.438 ( 0.000 0.000 0.000) 0.000 4.473 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.580 ( 0.000 0.000 0.000) 0.000 4.613 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 5.534 ( 0.000 0.000 0.000) 0.000 5.751 ( 0.000 0.000 0.000) 0.000 5.809 ( 0.000 0.000 0.000) 0.000 11.238 ( 0.000 0.000 0.000) 0.000 11.301 ( 0.000 0.000 0.000) 0.000 13.621 ( 0.000 0.000 0.000) 0.000 14.253 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 15.096 ( 0.000 0.000 0.000) 0.000 16.216 ( 0.000 0.000 0.000) 0.000 16.280 ( 0.000 0.000 0.000) 0.000 16.910 ( 0.000 0.000 0.000) 0.000 17.002 ( 0.000 0.000 0.000) 0.000 17.029 ( 0.000 0.000 0.000) 0.000 17.247 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/47) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 10.657 -14.369 1.407) 17.945 0.383 ( 13.019 -12.930 1.572) 18.416 0.593 ( 15.013 -18.167 11.054) 26.031 0.716 ( 1.462 1.180 -0.225) 1.892 0.831 ( 0.646 -4.405 0.484) 4.478 0.946 ( -1.750 -0.186 0.211) 1.772 0.976 ( 0.501 -1.465 0.500) 1.627 1.084 ( 1.152 -1.394 -2.143) 2.804 1.175 ( -2.048 0.102 0.488) 2.108 1.223 ( 0.443 1.414 -1.341) 1.998 1.265 ( -0.246 -0.598 -0.237) 0.689 1.311 ( -0.895 -4.284 2.285) 4.937 1.351 ( -0.891 -0.756 -4.941) 5.077 1.406 ( 1.940 -4.370 -3.242) 5.777 1.500 ( -1.031 1.705 3.669) 4.175 1.534 ( 4.414 -0.247 -3.296) 5.514 1.623 ( -1.351 4.424 2.481) 5.250 1.640 ( 0.973 3.314 2.811) 4.453 1.758 ( -2.077 -1.040 -0.672) 2.418 1.810 ( -0.037 -0.542 0.556) 0.778 1.819 ( -2.388 3.657 -2.264) 4.920 1.877 ( 2.779 1.631 -0.549) 3.268 1.912 ( -0.231 0.651 -0.532) 0.872 1.925 ( 2.151 0.239 0.095) 2.166 1.938 ( 1.423 2.308 5.130) 5.803 1.996 ( 1.630 1.989 -2.095) 3.316 2.053 ( 0.456 0.932 0.454) 1.132 2.087 ( 0.637 -0.217 -1.191) 1.368 2.160 ( -2.779 -0.227 -0.692) 2.873 2.217 ( -4.163 0.477 -1.732) 4.534 2.274 ( -1.019 0.600 -0.156) 1.193 2.310 ( 0.409 -3.306 0.309) 3.345 2.327 ( -1.677 -1.159 -0.249) 2.054 2.414 ( 1.997 0.954 0.170) 2.220 2.443 ( -0.297 -1.743 1.730) 2.474 2.488 ( 2.479 -1.295 1.004) 2.972 2.512 ( 0.746 -2.266 0.335) 2.409 2.559 ( 1.336 -3.441 0.306) 3.704 2.570 ( -1.871 -5.706 -0.604) 6.035 2.676 ( 0.296 -0.895 -0.571) 1.102 2.723 ( -0.948 -3.361 -1.299) 3.726 2.749 ( -2.980 -1.218 -2.869) 4.312 2.776 ( -1.717 -3.925 -2.894) 5.170 2.832 ( 1.747 -3.990 -0.525) 4.387 2.846 ( 1.273 -1.723 0.400) 2.179 2.878 ( 0.329 -0.853 -1.043) 1.387 2.896 ( -2.058 0.152 4.019) 4.518 2.990 ( 0.364 2.100 -1.318) 2.506 3.046 ( -2.407 -1.723 -0.011) 2.960 3.071 ( -1.309 2.483 0.785) 2.915 3.106 ( -0.169 4.239 1.241) 4.420 3.140 ( -0.566 3.108 1.116) 3.351 3.175 ( 0.826 1.139 0.693) 1.568 3.215 ( 0.682 2.146 -2.405) 3.295 3.245 ( -2.175 -1.315 -1.262) 2.838 3.276 ( 1.090 0.032 0.018) 1.091 3.307 ( 0.995 0.608 0.090) 1.170 3.325 ( -1.002 -0.779 -2.888) 3.154 3.345 ( -1.550 0.359 -1.541) 2.215 3.369 ( -0.303 1.197 0.777) 1.459 3.413 ( 1.411 -1.683 0.410) 2.234 3.425 ( 1.343 2.224 2.019) 3.290 3.496 ( 2.613 2.067 -1.782) 3.779 3.526 ( -1.265 7.482 -2.997) 8.159 3.554 ( -0.890 2.288 -0.484) 2.502 3.596 ( -0.444 -2.651 0.606) 2.755 3.641 ( 2.100 1.528 0.180) 2.603 3.679 ( -2.407 -0.211 -1.082) 2.648 3.684 ( -0.331 2.102 4.021) 4.550 3.711 ( -0.015 0.865 1.405) 1.650 3.733 ( -0.238 0.367 -2.146) 2.190 3.756 ( -0.554 -0.482 0.501) 0.889 3.771 ( -0.043 -0.506 2.536) 2.586 3.830 ( -1.986 0.387 1.483) 2.508 3.894 ( -1.152 -0.237 0.639) 1.339 3.919 ( -0.807 -3.512 -0.046) 3.604 3.954 ( -0.789 0.411 -0.245) 0.923 3.984 ( -0.728 -2.970 -0.014) 3.058 4.027 ( 3.939 3.567 0.999) 5.408 4.055 ( 0.590 0.915 0.533) 1.212 4.095 ( -3.009 -1.822 2.554) 4.346 4.112 ( 1.963 2.538 -1.361) 3.485 4.204 ( -1.655 -2.417 -2.156) 3.637 4.248 ( 3.269 2.490 -6.291) 7.514 4.291 ( -1.226 -1.220 -6.142) 6.381 4.385 ( -0.825 4.834 1.030) 5.011 4.443 ( -2.252 -0.512 -5.736) 6.184 4.503 ( -1.626 -0.874 3.441) 3.905 4.536 ( 3.688 4.615 10.766) 12.281 4.587 ( -0.787 -0.884 2.634) 2.888 4.644 ( 3.160 0.701 1.301) 3.488 4.858 ( -5.660 -0.512 5.895) 8.188 5.231 ( 1.057 -2.134 0.583) 2.451 5.500 ( -1.769 1.910 -1.866) 3.203 5.758 ( 0.399 0.413 0.936) 1.098 5.810 ( 1.312 0.354 -0.424) 1.424 11.223 ( -0.424 1.514 0.770) 1.751 11.285 ( -1.445 0.228 -2.005) 2.482 13.715 ( 3.859 1.321 17.926) 18.384 14.465 ( -14.366 -5.815 8.381) 17.620 14.679 ( 7.829 1.372 -12.240) 14.595 15.266 ( -34.252 -9.607 7.015) 36.259 16.237 ( -2.323 -2.733 -1.231) 3.792 16.304 ( 1.764 -2.165 0.113) 2.795 16.985 ( 2.086 3.205 -0.498) 3.856 17.076 ( 4.956 -2.114 0.842) 5.453 17.220 ( 13.498 2.047 -3.061) 13.991 17.796 ( 29.532 12.533 -24.886) 40.603 ======================= Grid point 2 (3/47) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 2.898 -1.277 -0.747) 3.254 0.693 ( 7.063 -13.146 0.440) 14.930 0.774 ( 4.410 -5.951 2.006) 7.674 0.899 ( 3.689 -5.236 -2.127) 6.749 0.924 ( 1.977 -2.366 2.315) 3.855 0.988 ( 1.644 -3.781 4.352) 5.995 1.033 ( 4.727 -1.119 2.958) 5.688 1.105 ( -0.424 -2.732 -0.383) 2.791 1.163 ( 1.944 2.350 0.131) 3.053 1.206 ( -1.090 4.266 -0.302) 4.413 1.239 ( -0.835 -2.833 -0.916) 3.092 1.342 ( 0.650 -2.503 -7.668) 8.092 1.389 ( -1.298 -1.658 1.024) 2.341 1.447 ( -3.029 2.066 2.737) 4.576 1.474 ( 1.543 1.580 2.464) 3.308 1.545 ( 0.838 2.900 -0.510) 3.061 1.611 ( 2.844 -2.363 -3.510) 5.098 1.619 ( -1.205 0.140 4.236) 4.407 1.700 ( -1.676 2.828 -1.436) 3.588 1.751 ( -0.855 -1.968 -0.082) 2.148 1.822 ( -1.089 -0.256 -0.174) 1.133 1.860 ( 0.718 2.336 0.790) 2.568 1.908 ( -0.492 1.726 1.166) 2.140 1.925 ( -0.051 0.907 2.513) 2.672 1.953 ( 1.209 -1.266 -0.965) 1.999 2.007 ( 1.650 0.142 -1.174) 2.030 2.038 ( 1.309 1.599 -0.142) 2.071 2.059 ( -1.656 0.463 -2.414) 2.964 2.140 ( 0.358 -0.621 0.221) 0.750 2.161 ( -0.523 1.908 0.910) 2.178 2.247 ( -3.306 -0.238 0.372) 3.336 2.343 ( 2.092 -0.754 -2.770) 3.552 2.388 ( 1.271 -5.877 -1.323) 6.156 2.447 ( 0.702 -2.241 0.643) 2.435 2.517 ( 1.350 -3.745 2.359) 4.627 2.543 ( 0.841 -2.056 0.024) 2.221 2.557 ( 1.847 -0.961 0.118) 2.085 2.583 ( -0.073 -0.858 -1.719) 1.923 2.668 ( -0.806 -7.778 1.034) 7.888 2.726 ( 0.855 -3.349 -0.138) 3.459 2.742 ( -0.810 -0.111 -2.397) 2.533 2.749 ( 0.119 -1.082 1.641) 1.969 2.792 ( -2.328 -3.251 -2.110) 4.521 2.849 ( 0.213 0.225 -0.091) 0.324 2.882 ( 0.328 -2.469 -1.337) 2.827 2.886 ( -0.760 0.570 -0.473) 1.061 2.913 ( -0.031 1.965 0.298) 1.987 2.959 ( 0.904 0.436 -1.456) 1.768 3.024 ( 0.763 3.042 0.043) 3.136 3.050 ( -2.635 -1.329 1.402) 3.267 3.064 ( -1.585 0.239 4.624) 4.894 3.100 ( 2.224 5.163 -0.314) 5.630 3.174 ( 0.676 -0.509 0.687) 1.090 3.178 ( 0.296 0.387 -3.237) 3.274 3.219 ( -1.350 2.954 -2.001) 3.815 3.247 ( -1.611 5.470 -0.411) 5.717 3.279 ( 0.561 1.545 -0.330) 1.676 3.294 ( -1.053 2.319 -2.963) 3.907 3.319 ( 0.589 -0.397 -2.413) 2.516 3.352 ( 0.139 0.526 0.609) 0.817 3.381 ( -1.404 -0.381 1.595) 2.159 3.425 ( 0.230 1.296 0.927) 1.610 3.443 ( -0.835 0.809 2.917) 3.140 3.516 ( 2.506 0.510 -2.919) 3.881 3.519 ( -2.699 0.654 0.437) 2.812 3.564 ( -3.021 2.428 0.957) 3.992 3.600 ( -1.867 3.038 -0.109) 3.568 3.635 ( -0.338 1.190 -0.964) 1.568 3.680 ( -0.220 -0.005 2.246) 2.256 3.707 ( -1.950 2.045 2.934) 4.074 3.723 ( -0.726 -0.974 -1.578) 1.991 3.765 ( 0.317 -2.569 -0.168) 2.594 3.815 ( 0.936 -1.419 4.328) 4.649 3.851 ( 1.143 -1.926 0.750) 2.362 3.878 ( -1.260 0.544 -0.257) 1.396 3.915 ( -3.798 -0.302 0.753) 3.884 3.946 ( -3.905 2.426 -1.562) 4.855 3.960 ( 1.303 1.985 -0.458) 2.418 4.022 ( 0.250 0.967 -1.271) 1.616 4.052 ( 4.733 -0.901 3.192) 5.780 4.103 ( 1.215 -1.039 -0.886) 1.828 4.134 ( 1.116 0.997 2.586) 2.987 4.199 ( 0.770 1.147 -3.735) 3.982 4.221 ( -1.164 -0.779 -0.696) 1.564 4.290 ( 3.138 0.142 -8.523) 9.084 4.325 ( -0.674 1.729 1.973) 2.709 4.410 ( -2.262 -0.739 -3.522) 4.251 4.513 ( -1.032 -0.945 2.311) 2.702 4.549 ( -0.010 0.517 1.510) 1.596 4.602 ( 1.276 1.917 10.031) 10.292 4.658 ( 0.606 -0.659 -3.058) 3.186 4.808 ( -3.518 1.122 1.117) 3.858 5.286 ( 1.186 -2.544 0.006) 2.807 5.444 ( -1.048 2.067 -1.369) 2.692 5.745 ( -0.411 1.117 0.341) 1.238 5.828 ( 1.549 -0.139 -0.083) 1.557 11.201 ( 0.140 1.211 1.198) 1.709 11.254 ( -1.685 0.128 -2.421) 2.953 13.853 ( 6.169 -4.954 10.563) 13.198 14.341 ( -9.762 5.840 -1.456) 11.469 14.695 ( 3.325 0.885 -6.361) 7.232 15.084 ( -12.946 -2.266 5.107) 14.101 16.231 ( -1.456 -0.408 -0.546) 1.608 16.364 ( 1.084 -2.524 -0.175) 2.752 16.970 ( 1.734 1.648 -0.253) 2.406 17.162 ( 3.291 -1.542 -0.692) 3.699 17.329 ( 5.329 -1.699 0.455) 5.612 17.873 ( 11.473 2.266 -7.365) 13.821 ======================= Grid point 3 (4/47) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 -0.000 0.000) 0.000 0.842 ( 0.000 -0.000 0.000) 0.000 0.884 ( 0.000 0.000 0.000) 0.000 0.952 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 -0.000 0.000) 0.000 1.013 ( -0.000 -0.000 0.000) 0.000 1.063 ( 0.000 -0.000 0.000) 0.000 1.106 ( 0.000 -0.000 0.000) 0.000 1.152 ( 0.000 -0.000 -0.000) 0.000 1.225 ( 0.000 -0.000 -0.000) 0.000 1.296 ( -0.000 -0.000 0.000) 0.000 1.331 ( -0.000 0.000 0.000) 0.000 1.333 ( 0.000 -0.000 -0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.451 ( -0.000 -0.000 -0.000) 0.000 1.527 ( 0.000 -0.000 -0.000) 0.000 1.599 ( -0.000 -0.000 0.000) 0.000 1.618 ( 0.000 -0.000 0.000) 0.000 1.732 ( 0.000 -0.000 -0.000) 0.000 1.771 ( 0.000 -0.000 -0.000) 0.000 1.817 ( -0.000 0.000 -0.000) 0.000 1.847 ( 0.000 -0.000 0.000) 0.000 1.873 ( 0.000 -0.000 0.000) 0.000 1.936 ( 0.000 -0.000 -0.000) 0.000 1.977 ( 0.000 -0.000 0.000) 0.000 1.999 ( 0.000 -0.000 0.000) 0.000 2.018 ( -0.000 -0.000 0.000) 0.000 2.075 ( 0.000 -0.000 -0.000) 0.000 2.140 ( 0.000 -0.000 0.000) 0.000 2.179 ( 0.000 -0.000 -0.000) 0.000 2.204 ( 0.000 -0.000 0.000) 0.000 2.368 ( -0.000 -0.000 0.000) 0.000 2.466 ( 0.000 -0.000 0.000) 0.000 2.493 ( 0.000 -0.000 -0.000) 0.000 2.500 ( -0.000 -0.000 -0.000) 0.000 2.574 ( -0.000 -0.000 -0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.644 ( -0.000 0.000 -0.000) 0.000 2.655 ( 0.000 -0.000 0.000) 0.000 2.726 ( -0.000 -0.000 -0.000) 0.000 2.789 ( 0.000 -0.000 0.000) 0.000 2.796 ( 0.000 0.000 -0.000) 0.000 2.825 ( 0.000 0.000 -0.000) 0.000 2.828 ( -0.000 -0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.863 ( -0.000 -0.000 -0.000) 0.000 2.946 ( 0.000 -0.000 -0.000) 0.000 2.965 ( -0.000 -0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 -0.000 -0.000) 0.000 3.053 ( 0.000 -0.000 0.000) 0.000 3.092 ( -0.000 -0.000 0.000) 0.000 3.107 ( 0.000 0.000 -0.000) 0.000 3.181 ( 0.000 -0.000 -0.000) 0.000 3.218 ( 0.000 -0.000 0.000) 0.000 3.222 ( -0.000 0.000 -0.000) 0.000 3.242 ( 0.000 -0.000 0.000) 0.000 3.307 ( 0.000 -0.000 0.000) 0.000 3.311 ( 0.000 -0.000 -0.000) 0.000 3.358 ( 0.000 -0.000 -0.000) 0.000 3.390 ( 0.000 0.000 0.000) 0.000 3.424 ( 0.000 -0.000 -0.000) 0.000 3.431 ( -0.000 0.000 0.000) 0.000 3.463 ( -0.000 -0.000 -0.000) 0.000 3.509 ( 0.000 -0.000 0.000) 0.000 3.533 ( -0.000 -0.000 0.000) 0.000 3.551 ( 0.000 -0.000 -0.000) 0.000 3.633 ( 0.000 -0.000 -0.000) 0.000 3.650 ( 0.000 -0.000 0.000) 0.000 3.697 ( 0.000 -0.000 -0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.815 ( -0.000 -0.000 -0.000) 0.000 3.821 ( 0.000 0.000 0.000) 0.000 3.866 ( -0.000 0.000 -0.000) 0.000 3.869 ( 0.000 0.000 0.000) 0.000 3.882 ( 0.000 -0.000 0.000) 0.000 3.903 ( 0.000 -0.000 -0.000) 0.000 3.953 ( 0.000 -0.000 -0.000) 0.000 3.990 ( 0.000 -0.000 0.000) 0.000 4.098 ( -0.000 -0.000 -0.000) 0.000 4.135 ( 0.000 -0.000 -0.000) 0.000 4.150 ( 0.000 -0.000 0.000) 0.000 4.195 ( 0.000 -0.000 -0.000) 0.000 4.202 ( 0.000 -0.000 0.000) 0.000 4.307 ( 0.000 -0.000 -0.000) 0.000 4.316 ( -0.000 -0.000 0.000) 0.000 4.382 ( 0.000 -0.000 0.000) 0.000 4.519 ( 0.000 -0.000 0.000) 0.000 4.539 ( 0.000 -0.000 0.000) 0.000 4.615 ( 0.000 -0.000 0.000) 0.000 4.671 ( 0.000 -0.000 0.000) 0.000 4.772 ( -0.000 -0.000 0.000) 0.000 5.319 ( 0.000 -0.000 0.000) 0.000 5.414 ( 0.000 -0.000 -0.000) 0.000 5.732 ( 0.000 -0.000 0.000) 0.000 5.840 ( 0.000 -0.000 0.000) 0.000 11.197 ( 0.000 -0.000 0.000) 0.000 11.236 ( 0.000 -0.000 0.000) 0.000 14.081 ( 0.000 -0.000 0.000) 0.000 14.088 ( -0.000 0.000 -0.000) 0.000 14.695 ( 0.000 -0.000 0.000) 0.000 15.046 ( 0.000 -0.000 -0.000) 0.000 16.223 ( 0.000 -0.000 0.000) 0.000 16.392 ( 0.000 -0.000 0.000) 0.000 16.968 ( 0.000 -0.000 -0.000) 0.000 17.190 ( 0.000 -0.000 0.000) 0.000 17.379 ( 0.000 -0.000 0.000) 0.000 17.915 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 8 (5/47) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 13.755 0.000 7.598) 15.714 0.481 ( 14.676 0.000 4.513) 15.354 0.764 ( -0.043 -0.000 -1.846) 1.847 0.767 ( 6.118 0.000 -1.960) 6.424 0.798 ( 23.406 0.000 14.559) 27.564 0.918 ( -4.071 -0.000 2.503) 4.779 0.955 ( 1.115 0.000 -2.283) 2.541 1.097 ( 2.863 0.000 -3.813) 4.768 1.124 ( -2.421 -0.000 0.898) 2.582 1.253 ( 3.104 0.000 -0.066) 3.105 1.263 ( 1.616 0.000 -0.829) 1.816 1.302 ( 1.515 0.000 -0.675) 1.659 1.331 ( 0.047 0.000 -6.591) 6.591 1.363 ( 0.549 0.000 -1.909) 1.986 1.516 ( -1.046 -0.000 4.512) 4.632 1.561 ( 4.413 0.000 -3.520) 5.645 1.644 ( -3.081 -0.000 -1.157) 3.291 1.719 ( 0.031 0.000 -1.760) 1.760 1.740 ( 3.185 0.000 7.050) 7.736 1.793 ( -1.770 -0.000 -0.935) 2.001 1.827 ( -1.732 -0.000 -3.508) 3.912 1.880 ( -1.358 -0.000 3.069) 3.356 1.905 ( -2.043 -0.000 2.197) 3.000 1.944 ( 1.323 0.000 -0.254) 1.347 2.026 ( 0.922 0.000 -3.918) 4.026 2.038 ( 2.075 0.000 4.061) 4.561 2.066 ( 0.075 0.000 0.192) 0.206 2.071 ( 1.069 0.000 -3.233) 3.406 2.118 ( -2.747 -0.000 1.406) 3.085 2.153 ( -3.279 -0.000 -2.756) 4.283 2.244 ( -2.457 -0.000 -0.123) 2.460 2.302 ( 1.411 0.000 -0.784) 1.614 2.307 ( -1.616 -0.000 3.856) 4.181 2.445 ( 0.487 0.000 0.596) 0.769 2.450 ( -3.483 -0.000 -1.037) 3.634 2.475 ( 1.519 0.000 1.319) 2.012 2.497 ( -1.424 -0.000 -0.856) 1.661 2.525 ( 2.947 0.000 0.474) 2.985 2.529 ( 2.800 0.000 1.431) 3.145 2.650 ( -2.812 -0.000 -1.635) 3.253 2.680 ( -0.760 -0.000 -5.063) 5.120 2.681 ( 0.508 0.000 0.374) 0.631 2.708 ( -2.575 -0.000 -2.471) 3.569 2.838 ( 4.655 0.000 -0.609) 4.695 2.848 ( -2.523 -0.000 2.371) 3.462 2.881 ( 3.785 0.000 -0.206) 3.791 2.912 ( 1.573 0.000 0.212) 1.587 2.979 ( -3.909 -0.000 0.404) 3.930 3.012 ( 1.114 0.000 -3.812) 3.972 3.064 ( -1.589 -0.000 1.093) 1.929 3.109 ( -2.746 -0.000 1.942) 3.364 3.177 ( -0.021 -0.000 -0.701) 0.702 3.188 ( 0.526 0.000 0.880) 1.025 3.232 ( 1.476 0.000 -1.213) 1.910 3.250 ( 1.320 0.000 0.982) 1.645 3.256 ( -1.600 -0.000 -0.039) 1.601 3.295 ( 1.028 0.000 2.696) 2.886 3.329 ( -0.785 -0.000 0.430) 0.895 3.350 ( 0.911 0.000 -4.341) 4.435 3.396 ( 1.613 0.000 -2.129) 2.671 3.406 ( 0.777 0.000 2.292) 2.421 3.456 ( -1.931 -0.000 3.400) 3.910 3.553 ( -0.566 -0.000 -6.161) 6.187 3.555 ( 2.907 0.000 -2.657) 3.938 3.578 ( -4.700 -0.000 1.034) 4.812 3.581 ( -0.691 -0.000 0.018) 0.691 3.603 ( -0.956 -0.000 -4.840) 4.934 3.670 ( -1.172 -0.000 0.095) 1.176 3.714 ( -1.747 -0.000 2.107) 2.737 3.727 ( -2.684 -0.000 3.528) 4.433 3.744 ( 2.938 0.000 4.997) 5.797 3.755 ( -0.893 -0.000 2.739) 2.881 3.771 ( -1.994 -0.000 -1.131) 2.292 3.835 ( 1.336 0.000 -2.520) 2.852 3.864 ( -1.828 -0.000 3.673) 4.103 3.873 ( -2.558 -0.000 -0.501) 2.606 3.914 ( 0.468 0.000 2.000) 2.054 3.984 ( 1.015 0.000 2.080) 2.315 4.046 ( -0.430 -0.000 -0.824) 0.929 4.086 ( 2.312 0.000 -2.451) 3.369 4.091 ( -3.037 -0.000 1.409) 3.348 4.130 ( 0.635 0.000 -2.123) 2.216 4.208 ( 5.055 0.000 2.027) 5.446 4.250 ( 0.653 0.000 -4.629) 4.675 4.265 ( -0.073 -0.000 -8.451) 8.451 4.381 ( -3.432 -0.000 -3.846) 5.155 4.409 ( -1.997 -0.000 -0.809) 2.155 4.463 ( -4.280 -0.000 3.546) 5.558 4.574 ( 1.162 0.000 1.051) 1.566 4.607 ( -1.072 -0.000 3.032) 3.216 4.707 ( -0.784 -0.000 2.242) 2.375 4.807 ( -4.694 -0.000 11.931) 12.822 5.240 ( 1.976 0.000 2.151) 2.920 5.477 ( -2.076 -0.000 -3.347) 3.939 5.782 ( 0.870 0.000 1.867) 2.060 5.827 ( 1.474 0.000 -0.857) 1.705 11.228 ( -0.791 -0.000 1.675) 1.852 11.253 ( -2.785 -0.000 -2.759) 3.920 13.861 ( -6.241 -0.000 31.915) 32.519 14.267 ( 1.959 0.000 -4.828) 5.211 14.737 ( 7.001 0.000 -2.608) 7.471 14.883 ( -13.926 -0.000 -4.431) 14.614 16.213 ( 0.234 0.000 -1.812) 1.827 16.331 ( 3.399 0.000 2.235) 4.068 16.942 ( -3.675 -0.000 -3.022) 4.758 17.159 ( 7.895 0.000 4.526) 9.101 17.373 ( 7.190 0.000 4.854) 8.675 18.123 ( 12.556 0.000 -37.097) 39.164 ======================= Grid point 9 (6/47) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 5.650 -2.411 0.298) 6.151 0.645 ( 3.515 -4.019 4.580) 7.034 0.766 ( 3.832 -1.842 -0.117) 4.254 0.872 ( 4.867 -4.883 -0.224) 6.898 0.900 ( -2.143 -2.228 1.278) 3.345 0.991 ( 1.976 -3.417 -2.759) 4.816 1.066 ( 1.664 1.863 -1.761) 3.056 1.136 ( 10.863 -0.979 11.266) 15.681 1.202 ( 7.826 -2.988 -2.580) 8.765 1.230 ( 0.010 2.767 0.735) 2.863 1.272 ( 1.856 3.469 -2.486) 4.654 1.310 ( 2.862 -0.353 -9.815) 10.230 1.355 ( 1.337 -3.850 3.536) 5.396 1.398 ( -0.768 -2.772 -0.424) 2.908 1.519 ( 0.505 0.505 3.702) 3.770 1.559 ( -1.812 0.959 -2.554) 3.275 1.629 ( 1.665 -0.375 -2.816) 3.292 1.692 ( 0.295 6.531 2.752) 7.094 1.715 ( -1.318 -0.776 -1.693) 2.282 1.761 ( 0.961 4.109 0.910) 4.317 1.806 ( -1.296 -0.057 -0.038) 1.298 1.848 ( -3.286 0.539 3.471) 4.810 1.901 ( -1.661 0.198 1.801) 2.458 1.946 ( -0.489 1.237 0.552) 1.440 1.996 ( -1.069 2.317 -0.915) 2.711 2.017 ( -0.440 -2.051 -2.836) 3.527 2.057 ( -1.732 1.633 0.606) 2.456 2.068 ( 2.730 1.731 0.612) 3.290 2.130 ( 2.047 -2.171 0.312) 3.000 2.161 ( -0.548 -1.283 0.309) 1.430 2.239 ( -0.321 1.296 2.064) 2.458 2.282 ( -0.633 -2.319 -0.480) 2.451 2.360 ( 1.613 -0.546 -1.702) 2.408 2.426 ( 1.621 -4.884 -0.254) 5.152 2.471 ( -0.873 -1.772 1.407) 2.425 2.483 ( -1.668 -2.283 -2.225) 3.598 2.543 ( -1.147 -1.714 1.760) 2.711 2.554 ( 0.239 -3.461 0.458) 3.499 2.607 ( 2.168 -3.558 -1.202) 4.337 2.634 ( -0.378 -2.505 -0.933) 2.700 2.683 ( -3.160 -2.846 -3.315) 5.392 2.692 ( -2.107 -3.659 -0.212) 4.228 2.737 ( 2.284 -4.369 -0.659) 4.973 2.821 ( -0.479 0.714 2.119) 2.287 2.875 ( -0.136 0.573 -1.989) 2.074 2.908 ( 0.053 1.387 1.737) 2.224 2.955 ( 6.478 -0.757 -1.835) 6.775 2.976 ( -1.182 -2.194 0.666) 2.579 2.999 ( 2.102 1.285 -2.183) 3.292 3.057 ( -0.322 0.359 1.512) 1.587 3.088 ( -1.311 0.713 3.764) 4.049 3.163 ( 0.584 1.023 -1.348) 1.791 3.201 ( -0.133 3.149 -3.397) 4.634 3.207 ( 0.610 -0.809 -0.820) 1.303 3.233 ( 0.507 1.659 2.100) 2.724 3.268 ( -1.334 -0.510 -2.013) 2.468 3.288 ( -1.390 3.480 -0.111) 3.749 3.320 ( -0.915 2.446 0.043) 2.612 3.322 ( 0.992 0.352 -1.489) 1.823 3.379 ( -0.286 3.146 1.164) 3.366 3.405 ( -1.963 3.320 0.117) 3.858 3.437 ( -2.030 0.384 2.494) 3.238 3.449 ( 1.419 0.583 -0.855) 1.757 3.518 ( -2.164 1.445 -1.520) 3.013 3.549 ( -0.230 1.791 -2.659) 3.214 3.579 ( -1.457 0.719 -0.522) 1.706 3.611 ( -1.417 -0.232 2.004) 2.465 3.628 ( -3.307 2.949 1.946) 4.839 3.678 ( -0.370 0.110 0.630) 0.738 3.696 ( -2.713 -1.926 1.631) 3.706 3.728 ( -1.511 2.813 -0.388) 3.216 3.769 ( -1.184 -1.524 3.501) 3.998 3.781 ( -0.081 0.564 0.521) 0.772 3.820 ( 0.663 -1.104 1.657) 2.099 3.858 ( 1.414 -0.574 -2.165) 2.649 3.910 ( -0.605 0.402 0.132) 0.739 3.932 ( -1.628 0.577 0.463) 1.789 3.993 ( -0.153 -0.502 -1.361) 1.459 4.023 ( 2.249 0.315 1.088) 2.518 4.084 ( 0.383 -1.232 0.382) 1.346 4.115 ( -0.398 -0.345 0.893) 1.037 4.147 ( -1.194 -3.575 -0.493) 3.801 4.207 ( -0.634 1.594 -2.847) 3.324 4.229 ( 2.975 2.428 -1.960) 4.311 4.263 ( 1.193 -0.112 -5.343) 5.475 4.349 ( -2.586 0.220 0.534) 2.650 4.367 ( 0.465 0.640 -0.644) 1.020 4.469 ( -2.134 -2.908 1.433) 3.881 4.569 ( 0.343 1.649 -0.101) 1.687 4.623 ( -0.399 -1.573 -0.661) 1.752 4.685 ( -0.546 1.773 4.509) 4.876 4.780 ( -4.279 0.639 4.676) 6.371 5.282 ( 2.351 -0.940 1.139) 2.776 5.442 ( -1.064 0.689 -2.673) 2.958 5.777 ( 0.325 1.905 1.254) 2.303 5.841 ( 1.065 -0.010 -0.407) 1.140 11.201 ( -2.257 0.419 -2.407) 3.326 11.235 ( -0.365 -0.284 1.553) 1.621 13.910 ( 1.975 -1.382 15.435) 15.622 14.277 ( -4.529 0.128 -5.421) 7.066 14.681 ( -7.335 1.117 -4.442) 8.648 14.892 ( 0.082 -7.688 2.330) 8.034 16.212 ( 0.186 -0.509 -2.076) 2.145 16.386 ( 4.163 -0.018 1.530) 4.436 16.900 ( -4.762 -2.060 -2.614) 5.810 17.265 ( 7.500 1.176 4.305) 8.727 17.443 ( 6.593 3.465 3.524) 8.240 18.063 ( 8.788 7.924 -15.221) 19.280 ======================= Grid point 10 (7/47) ======================= q-point: ( 0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.620 ( -0.956 0.802 -0.021) 1.248 0.795 ( 1.526 -8.269 0.289) 8.413 0.829 ( 0.662 -1.043 -0.357) 1.287 0.927 ( -0.835 -2.518 0.309) 2.670 0.999 ( 2.185 -4.582 -0.015) 5.076 1.032 ( -0.379 1.724 -1.845) 2.553 1.067 ( 0.960 -2.725 -1.577) 3.292 1.125 ( -1.218 7.290 -0.279) 7.397 1.174 ( -0.528 2.941 0.878) 3.114 1.289 ( 3.845 4.082 -0.668) 5.647 1.303 ( 1.793 -1.577 -5.244) 5.762 1.335 ( -2.134 4.389 3.385) 5.939 1.383 ( -0.893 -0.238 3.125) 3.259 1.394 ( 10.338 -1.173 -3.229) 10.894 1.500 ( -1.272 0.104 -1.393) 1.889 1.546 ( 2.881 2.767 1.265) 4.190 1.606 ( -2.279 3.155 -0.558) 3.932 1.640 ( 0.214 0.058 0.445) 0.497 1.713 ( 1.972 0.972 -1.840) 2.867 1.782 ( 2.759 -2.469 2.413) 4.420 1.794 ( -1.359 -0.929 0.359) 1.685 1.830 ( -1.991 0.093 2.421) 3.136 1.877 ( -2.453 -0.423 1.400) 2.856 1.923 ( 0.772 0.814 0.649) 1.296 1.976 ( 0.615 -0.258 -2.163) 2.263 2.026 ( -1.484 1.109 1.874) 2.635 2.050 ( -0.752 -2.264 -1.167) 2.656 2.080 ( 4.402 3.021 1.873) 5.658 2.146 ( -4.687 -0.154 0.199) 4.694 2.170 ( 2.213 1.460 3.507) 4.396 2.227 ( 2.292 0.637 2.259) 3.280 2.343 ( -0.866 -4.412 -2.415) 5.103 2.387 ( 0.722 -1.751 -3.345) 3.843 2.483 ( -1.382 -2.504 0.059) 2.861 2.487 ( -1.832 -2.559 -1.395) 3.442 2.540 ( -0.989 -0.606 -1.798) 2.140 2.558 ( 1.435 -4.394 1.333) 4.811 2.594 ( -2.510 -4.771 0.300) 5.399 2.646 ( -1.752 1.276 -0.943) 2.364 2.677 ( -3.339 -5.943 -1.119) 6.908 2.721 ( -2.119 -2.168 -0.788) 3.132 2.728 ( 1.956 -5.060 0.492) 5.447 2.810 ( 2.297 -1.499 0.102) 2.745 2.835 ( -2.041 1.085 -2.441) 3.362 2.845 ( -0.804 -3.381 1.080) 3.640 2.890 ( 0.230 1.059 0.593) 1.235 2.937 ( 2.261 3.729 0.328) 4.373 3.010 ( -1.226 2.630 3.040) 4.203 3.030 ( 0.838 0.062 0.356) 0.913 3.056 ( 2.937 0.664 0.106) 3.013 3.085 ( 0.127 6.189 -0.081) 6.191 3.106 ( 2.692 -1.789 0.219) 3.240 3.142 ( 1.338 4.023 -3.629) 5.580 3.210 ( 0.381 0.610 0.573) 0.919 3.216 ( 0.975 1.215 0.760) 1.734 3.237 ( -0.870 0.571 0.934) 1.398 3.258 ( 0.802 1.047 0.732) 1.509 3.297 ( 0.212 -2.344 -1.431) 2.755 3.321 ( 0.015 1.909 -0.703) 2.035 3.344 ( 0.283 1.945 -1.152) 2.278 3.364 ( -0.446 0.171 -0.228) 0.529 3.412 ( -2.204 0.755 -0.470) 2.377 3.461 ( 0.779 -1.530 0.666) 1.841 3.483 ( -2.217 1.044 1.726) 2.997 3.516 ( 2.210 0.432 5.154) 5.624 3.528 ( -1.972 3.053 0.066) 3.635 3.564 ( 0.330 0.815 0.474) 0.998 3.629 ( 0.125 -1.266 -3.026) 3.282 3.648 ( -3.275 0.293 0.616) 3.345 3.684 ( -2.053 -2.052 -1.931) 3.486 3.741 ( 0.592 -1.368 1.187) 1.905 3.763 ( 0.198 1.004 1.148) 1.538 3.794 ( -2.449 -2.893 0.453) 3.818 3.857 ( -0.147 1.255 -0.096) 1.267 3.863 ( -1.299 0.426 -4.493) 4.697 3.888 ( 1.266 -2.088 2.204) 3.290 3.908 ( 2.641 0.448 1.380) 3.013 3.984 ( 0.643 1.816 -2.052) 2.815 4.048 ( 2.756 0.294 -1.396) 3.103 4.077 ( -1.636 -0.059 0.480) 1.706 4.134 ( -0.918 -0.037 -1.405) 1.678 4.159 ( -1.957 1.028 0.477) 2.261 4.182 ( -0.166 0.237 -0.805) 0.855 4.221 ( 0.366 0.254 1.332) 1.405 4.258 ( -2.518 -0.371 1.281) 2.849 4.333 ( 1.090 0.467 -0.262) 1.214 4.384 ( 2.213 -1.078 -0.216) 2.471 4.488 ( -1.277 -2.087 -1.300) 2.770 4.560 ( 1.864 0.865 0.608) 2.143 4.585 ( -3.027 0.909 -6.186) 6.947 4.695 ( -0.726 1.128 6.679) 6.813 4.753 ( -1.083 -1.723 1.010) 2.272 5.325 ( 1.889 -0.756 0.283) 2.055 5.409 ( -1.177 0.858 -0.861) 1.692 5.757 ( 1.057 1.692 0.485) 2.053 5.840 ( -0.532 0.579 -0.056) 0.789 11.170 ( -1.797 -0.697 -2.281) 2.987 11.250 ( 0.955 -0.168 2.357) 2.549 14.066 ( 5.113 -7.700 7.461) 11.878 14.097 ( -7.355 8.288 -7.302) 13.270 14.638 ( -3.766 -3.642 0.192) 5.242 15.011 ( 2.229 -4.965 0.901) 5.517 16.221 ( 0.726 -0.824 -1.314) 1.713 16.428 ( 3.592 1.169 0.321) 3.791 16.868 ( -6.093 -2.729 -0.752) 6.718 17.306 ( 4.817 4.832 3.740) 7.781 17.448 ( 4.008 4.839 -0.336) 6.292 17.980 ( 1.596 7.222 -3.768) 8.301 ======================= Grid point 11 (8/47) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -2.011 0.703 0.079) 2.132 0.789 ( -3.156 5.928 -1.514) 6.884 0.835 ( -1.774 6.172 -0.886) 6.483 0.927 ( 0.243 1.094 -0.531) 1.240 0.969 ( -2.844 5.050 0.791) 5.850 1.001 ( -0.673 1.335 -1.157) 1.891 1.055 ( 1.271 1.525 -1.628) 2.568 1.112 ( -2.645 1.570 -0.754) 3.167 1.136 ( 2.205 -0.137 -0.544) 2.275 1.165 ( -0.971 -0.855 1.965) 2.353 1.296 ( 1.204 0.757 3.164) 3.469 1.356 ( -1.141 -2.867 -4.773) 5.683 1.418 ( 3.624 2.460 -1.513) 4.635 1.462 ( -1.137 5.373 3.148) 6.330 1.482 ( 4.419 0.168 0.268) 4.430 1.541 ( 1.487 1.320 -1.822) 2.697 1.604 ( 1.988 -4.098 -0.779) 4.621 1.623 ( -1.040 1.151 3.135) 3.498 1.728 ( -0.300 0.174 -1.263) 1.310 1.791 ( -0.300 3.409 -1.000) 3.565 1.804 ( -0.396 -0.884 1.234) 1.569 1.842 ( 2.301 -0.222 -0.098) 2.313 1.864 ( -0.326 -0.308 -1.211) 1.292 1.936 ( 0.415 -0.340 0.313) 0.622 1.962 ( -2.430 1.168 0.511) 2.744 1.996 ( -2.793 1.998 0.328) 3.450 2.014 ( -1.306 0.178 -0.205) 1.334 2.092 ( 0.477 1.042 1.819) 2.150 2.123 ( 2.647 -0.186 0.839) 2.783 2.175 ( 1.606 1.168 2.065) 2.865 2.268 ( 0.962 -1.480 -0.192) 1.775 2.316 ( -3.672 0.533 -0.326) 3.724 2.405 ( -2.237 -1.275 -0.823) 2.703 2.466 ( -0.984 -0.803 -2.581) 2.877 2.489 ( -2.372 0.037 1.903) 3.041 2.550 ( 1.696 -1.552 -0.777) 2.426 2.577 ( -0.390 1.670 -1.072) 2.023 2.619 ( -2.772 1.845 2.359) 4.081 2.671 ( 0.245 -4.541 0.097) 4.548 2.701 ( -1.955 -2.406 -2.190) 3.796 2.748 ( 0.400 -3.659 -0.184) 3.686 2.787 ( -0.756 0.480 1.236) 1.527 2.802 ( -1.033 2.054 -1.215) 2.600 2.867 ( 0.722 -2.434 1.316) 2.860 2.878 ( 2.772 0.057 -0.063) 2.773 2.891 ( 2.627 -2.587 0.525) 3.725 2.931 ( -1.025 -0.410 0.236) 1.128 2.958 ( -1.291 3.983 0.815) 4.266 3.002 ( 0.855 0.706 0.266) 1.140 3.037 ( -0.130 1.126 -1.860) 2.178 3.056 ( -1.361 1.837 1.794) 2.907 3.110 ( 4.088 0.812 -2.736) 4.986 3.178 ( 0.150 -1.588 -1.172) 1.979 3.192 ( -2.184 2.802 1.877) 4.018 3.217 ( 2.594 0.624 1.181) 2.918 3.231 ( 2.222 0.005 3.488) 4.136 3.270 ( -1.268 2.526 -0.348) 2.847 3.283 ( 0.632 -1.485 1.393) 2.132 3.299 ( -0.096 -2.245 -0.027) 2.247 3.338 ( -0.215 -0.435 -0.924) 1.044 3.382 ( 0.800 -0.554 -0.783) 1.249 3.390 ( 0.046 -0.291 -3.889) 3.900 3.456 ( -3.187 -1.303 1.157) 3.632 3.502 ( 1.535 0.891 1.751) 2.493 3.551 ( 3.203 -3.192 2.175) 5.018 3.552 ( 1.042 0.123 0.853) 1.352 3.579 ( 1.369 -1.647 0.053) 2.142 3.627 ( -1.099 -1.242 0.554) 1.749 3.649 ( -0.623 -3.185 -3.251) 4.594 3.709 ( -0.343 0.993 -1.076) 1.503 3.740 ( 1.946 -2.103 -2.126) 3.568 3.788 ( 0.455 -2.831 -1.034) 3.049 3.797 ( -2.724 -1.204 0.308) 2.994 3.816 ( -0.430 2.476 3.663) 4.442 3.861 ( 0.770 -1.603 -3.184) 3.647 3.922 ( 0.972 -1.107 -0.307) 1.505 3.954 ( 1.155 -0.021 1.076) 1.579 3.985 ( 0.914 -0.927 -0.164) 1.312 4.024 ( 1.125 5.545 -2.021) 6.009 4.071 ( 0.251 3.395 -1.479) 3.712 4.099 ( -0.342 -2.031 2.791) 3.469 4.111 ( -2.336 1.464 -1.114) 2.974 4.175 ( -2.708 -3.047 -0.044) 4.076 4.214 ( -0.362 0.426 3.506) 3.551 4.266 ( -0.641 -1.459 5.461) 5.689 4.339 ( 2.111 1.136 -1.666) 2.919 4.421 ( -0.929 -1.798 -1.748) 2.674 4.489 ( -2.850 -0.615 -3.733) 4.736 4.512 ( -0.517 0.482 -3.604) 3.672 4.598 ( 3.442 0.059 0.379) 3.464 4.668 ( -2.077 1.205 1.817) 3.012 4.803 ( 1.062 -2.990 1.099) 3.358 5.324 ( 0.249 2.908 0.018) 2.918 5.410 ( -0.312 -2.797 0.323) 2.833 5.758 ( 2.002 0.670 0.062) 2.112 5.813 ( -2.085 0.775 0.038) 2.225 11.166 ( -0.792 -1.602 -1.129) 2.114 11.275 ( 1.061 -0.421 1.812) 2.141 13.866 ( -4.338 8.384 -5.114) 10.736 14.304 ( 5.707 -11.468 1.517) 12.899 14.652 ( -2.901 -1.531 2.408) 4.069 15.129 ( 4.472 -6.566 -1.265) 8.044 16.245 ( 1.219 -1.015 -0.642) 1.711 16.436 ( 3.431 3.006 -0.167) 4.564 16.833 ( -7.053 -2.834 0.883) 7.653 17.265 ( 2.038 6.887 2.130) 7.491 17.378 ( 0.332 7.155 -1.263) 7.274 17.841 ( -4.227 7.645 0.956) 8.788 ======================= Grid point 12 (9/47) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 0.000 10.441 0.000) 10.441 0.571 ( 0.000 16.475 0.000) 16.475 0.708 ( 0.000 3.276 0.000) 3.276 0.842 ( 0.000 16.389 0.000) 16.389 0.882 ( 0.000 3.271 0.000) 3.271 0.970 ( 0.000 2.562 0.000) 2.562 0.984 ( 0.000 1.422 0.000) 1.422 1.110 ( -0.000 -0.232 -0.000) 0.232 1.151 ( -0.000 -0.111 -0.000) 0.111 1.192 ( -0.000 -2.882 -0.000) 2.882 1.307 ( 0.000 2.943 0.000) 2.943 1.379 ( 0.000 2.609 0.000) 2.609 1.405 ( 0.000 0.013 0.000) 0.013 1.424 ( -0.000 -5.150 -0.000) 5.150 1.472 ( 0.000 6.618 0.000) 6.618 1.507 ( 0.000 0.615 0.000) 0.615 1.600 ( 0.000 0.752 0.000) 0.752 1.610 ( 0.000 1.163 0.000) 1.163 1.751 ( -0.000 -2.590 -0.000) 2.590 1.784 ( -0.000 -4.602 -0.000) 4.602 1.832 ( -0.000 -2.076 -0.000) 2.076 1.839 ( 0.000 2.218 0.000) 2.218 1.865 ( -0.000 -0.597 -0.000) 0.597 1.925 ( 0.000 2.711 0.000) 2.711 1.943 ( 0.000 0.481 0.000) 0.481 1.955 ( -0.000 -1.932 -0.000) 1.932 2.031 ( -0.000 -1.522 -0.000) 1.522 2.084 ( 0.000 0.216 0.000) 0.216 2.159 ( -0.000 -1.977 -0.000) 1.977 2.212 ( -0.000 -2.520 -0.000) 2.520 2.280 ( 0.000 0.193 0.000) 0.193 2.311 ( -0.000 -2.692 -0.000) 2.692 2.376 ( 0.000 3.728 0.000) 3.728 2.454 ( 0.000 3.094 0.000) 3.094 2.487 ( -0.000 -0.146 -0.000) 0.146 2.488 ( 0.000 6.415 0.000) 6.415 2.540 ( 0.000 2.232 0.000) 2.232 2.582 ( 0.000 0.949 0.000) 0.949 2.683 ( 0.000 7.558 0.000) 7.558 2.689 ( 0.000 0.605 0.000) 0.605 2.738 ( -0.000 -2.244 -0.000) 2.244 2.790 ( 0.000 1.464 0.000) 1.464 2.822 ( -0.000 -2.586 -0.000) 2.586 2.873 ( 0.000 1.653 0.000) 1.653 2.879 ( 0.000 2.274 0.000) 2.274 2.892 ( 0.000 3.813 0.000) 3.813 2.956 ( -0.000 -0.326 -0.000) 0.326 2.974 ( 0.000 6.308 0.000) 6.308 2.975 ( -0.000 -6.591 -0.000) 6.591 3.025 ( -0.000 -6.504 -0.000) 6.504 3.076 ( -0.000 -4.536 -0.000) 4.536 3.101 ( 0.000 3.875 0.000) 3.875 3.165 ( 0.000 0.798 0.000) 0.798 3.177 ( -0.000 -3.121 -0.000) 3.121 3.244 ( -0.000 -0.970 -0.000) 0.970 3.250 ( -0.000 -1.457 -0.000) 1.457 3.286 ( -0.000 -0.332 -0.000) 0.332 3.333 ( -0.000 -2.247 -0.000) 2.247 3.352 ( -0.000 -1.620 -0.000) 1.620 3.367 ( -0.000 -5.065 -0.000) 5.065 3.388 ( -0.000 -3.618 -0.000) 3.618 3.390 ( -0.000 -0.603 -0.000) 0.603 3.456 ( -0.000 -1.923 -0.000) 1.923 3.467 ( 0.000 5.194 0.000) 5.194 3.557 ( -0.000 -0.056 -0.000) 0.056 3.609 ( -0.000 -1.736 -0.000) 1.736 3.646 ( -0.000 -0.135 -0.000) 0.135 3.647 ( -0.000 -2.229 -0.000) 2.229 3.660 ( -0.000 -1.071 -0.000) 1.071 3.694 ( -0.000 -1.068 -0.000) 1.068 3.768 ( 0.000 1.545 0.000) 1.545 3.773 ( 0.000 0.326 0.000) 0.326 3.797 ( 0.000 4.051 0.000) 4.051 3.819 ( -0.000 -2.482 -0.000) 2.482 3.881 ( -0.000 -4.005 -0.000) 4.005 3.936 ( 0.000 4.015 0.000) 4.015 3.960 ( -0.000 -0.147 -0.000) 0.147 4.002 ( -0.000 -1.443 -0.000) 1.443 4.013 ( -0.000 -1.681 -0.000) 1.681 4.028 ( 0.000 3.793 0.000) 3.793 4.066 ( -0.000 -5.763 -0.000) 5.763 4.132 ( 0.000 2.252 0.000) 2.252 4.199 ( -0.000 -2.896 -0.000) 2.896 4.218 ( 0.000 0.371 0.000) 0.371 4.331 ( 0.000 0.007 0.000) 0.007 4.343 ( -0.000 -3.593 -0.000) 3.593 4.401 ( -0.000 -1.249 -0.000) 1.249 4.472 ( -0.000 -0.332 -0.000) 0.332 4.506 ( 0.000 0.082 0.000) 0.082 4.620 ( 0.000 0.575 0.000) 0.575 4.628 ( 0.000 1.875 0.000) 1.875 4.860 ( -0.000 -2.557 -0.000) 2.557 5.271 ( 0.000 3.473 0.000) 3.473 5.465 ( -0.000 -3.724 -0.000) 3.724 5.766 ( 0.000 1.124 0.000) 1.124 5.790 ( -0.000 -0.808 -0.000) 0.808 11.190 ( -0.000 -2.203 -0.000) 2.203 11.293 ( -0.000 -0.453 -0.000) 0.453 13.716 ( 0.000 6.123 0.000) 6.123 14.522 ( -0.000 -9.820 -0.000) 9.820 14.623 ( 0.000 2.534 0.000) 2.534 15.336 ( -0.000 -15.073 -0.000) 15.073 16.268 ( -0.000 -0.821 -0.000) 0.821 16.408 ( 0.000 4.782 0.000) 4.782 16.815 ( -0.000 -2.494 -0.000) 2.494 17.163 ( 0.000 7.837 0.000) 7.837 17.241 ( 0.000 8.976 0.000) 8.976 17.687 ( 0.000 6.874 0.000) 6.874 ======================= Grid point 15 (10/47) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -0.948 -0.000 0.995) 1.374 0.656 ( 2.573 0.000 0.422) 2.607 0.794 ( -0.177 -0.000 0.626) 0.650 0.861 ( 3.153 0.000 1.623) 3.546 0.869 ( 1.062 0.000 1.537) 1.868 0.955 ( -0.028 -0.000 -2.646) 2.646 1.147 ( 4.265 0.000 -2.756) 5.078 1.222 ( 8.521 0.000 -1.591) 8.668 1.272 ( -0.619 -0.000 -0.989) 1.167 1.277 ( 1.432 0.000 -10.007) 10.109 1.314 ( 7.334 0.000 3.204) 8.003 1.340 ( -0.270 -0.000 5.341) 5.347 1.380 ( 9.079 0.000 0.857) 9.119 1.383 ( 1.744 0.000 0.892) 1.959 1.539 ( -1.085 -0.000 -1.587) 1.922 1.543 ( 0.982 0.000 3.865) 3.988 1.640 ( 1.668 0.000 -1.865) 2.502 1.663 ( -2.986 -0.000 -0.151) 2.989 1.744 ( -2.537 -0.000 -0.100) 2.539 1.773 ( 0.493 0.000 0.799) 0.939 1.798 ( -4.525 -0.000 -0.893) 4.613 1.889 ( -0.143 -0.000 1.758) 1.763 1.889 ( 0.731 0.000 6.816) 6.855 1.916 ( -4.549 -0.000 -3.463) 5.717 1.953 ( -0.473 -0.000 0.278) 0.549 1.992 ( -2.187 -0.000 -2.266) 3.149 2.091 ( 1.863 0.000 1.975) 2.715 2.097 ( 0.908 0.000 1.460) 1.719 2.125 ( -1.321 -0.000 -0.147) 1.329 2.162 ( 4.840 0.000 -3.135) 5.766 2.273 ( 0.487 0.000 2.728) 2.771 2.305 ( 1.135 0.000 4.266) 4.415 2.329 ( 1.207 0.000 -1.794) 2.162 2.390 ( -0.167 -0.000 -2.272) 2.278 2.428 ( -1.905 -0.000 -3.830) 4.277 2.439 ( -2.817 -0.000 -0.502) 2.862 2.518 ( 1.732 0.000 2.609) 3.132 2.533 ( -2.837 -0.000 0.796) 2.947 2.613 ( 0.815 0.000 -1.003) 1.292 2.613 ( -0.132 -0.000 -3.869) 3.871 2.624 ( 1.805 0.000 2.775) 3.311 2.635 ( -1.105 -0.000 -1.563) 1.914 2.726 ( 2.695 0.000 1.594) 3.131 2.858 ( 1.327 0.000 3.031) 3.309 2.867 ( 0.371 0.000 -2.374) 2.402 2.926 ( -2.187 -0.000 2.261) 3.145 2.951 ( 1.891 0.000 0.993) 2.135 3.017 ( 1.017 0.000 -2.927) 3.099 3.045 ( 9.343 0.000 -2.467) 9.664 3.075 ( 0.968 0.000 2.506) 2.686 3.086 ( -1.008 -0.000 2.316) 2.526 3.154 ( -2.039 -0.000 -0.642) 2.137 3.202 ( 1.383 0.000 -2.419) 2.787 3.208 ( -0.277 -0.000 -5.825) 5.832 3.218 ( -1.183 -0.000 0.256) 1.210 3.270 ( -0.958 -0.000 0.179) 0.975 3.316 ( -1.170 -0.000 0.482) 1.265 3.330 ( 0.314 0.000 -1.885) 1.911 3.349 ( -0.035 -0.000 1.292) 1.292 3.390 ( -3.318 -0.000 3.563) 4.869 3.406 ( -0.907 -0.000 -0.599) 1.087 3.424 ( -3.476 -0.000 0.217) 3.483 3.469 ( 0.923 0.000 1.220) 1.530 3.470 ( -3.548 -0.000 0.039) 3.548 3.531 ( 0.229 0.000 -3.151) 3.159 3.579 ( 0.355 0.000 -2.022) 2.053 3.595 ( -3.603 -0.000 -1.463) 3.889 3.602 ( -1.814 -0.000 -0.001) 1.814 3.658 ( -4.113 -0.000 4.399) 6.022 3.700 ( -2.190 -0.000 5.219) 5.660 3.714 ( -1.986 -0.000 -1.819) 2.693 3.758 ( 1.353 0.000 1.663) 2.144 3.781 ( -0.482 -0.000 2.348) 2.397 3.842 ( -0.061 -0.000 -0.573) 0.576 3.888 ( 2.975 0.000 -4.429) 5.335 3.906 ( -1.043 -0.000 1.364) 1.718 3.925 ( 1.535 0.000 2.295) 2.761 3.964 ( -2.879 -0.000 -0.084) 2.880 4.036 ( -2.179 -0.000 -3.695) 4.290 4.055 ( -0.900 -0.000 -3.653) 3.762 4.079 ( 0.815 0.000 1.493) 1.701 4.122 ( -0.426 -0.000 -0.888) 0.984 4.176 ( 0.123 0.000 -1.877) 1.881 4.276 ( 2.370 0.000 -1.204) 2.658 4.306 ( -2.685 -0.000 1.975) 3.333 4.329 ( 3.673 0.000 2.158) 4.260 4.402 ( 1.682 0.000 -0.076) 1.683 4.412 ( -1.628 -0.000 -0.268) 1.650 4.579 ( -1.491 -0.000 -1.684) 2.249 4.607 ( 0.936 0.000 -0.208) 0.959 4.689 ( -1.151 -0.000 2.283) 2.557 4.758 ( -3.847 -0.000 3.571) 5.249 5.309 ( 2.276 0.000 1.326) 2.634 5.431 ( -0.111 -0.000 -2.550) 2.552 5.798 ( -0.424 -0.000 1.672) 1.725 5.852 ( 0.989 0.000 -0.727) 1.228 11.160 ( -2.729 -0.000 -2.659) 3.810 11.245 ( 0.785 0.000 2.377) 2.503 13.952 ( -0.315 -0.000 12.852) 12.855 14.219 ( -3.153 -0.000 -7.816) 8.428 14.563 ( -7.665 -0.000 -1.649) 7.840 14.901 ( 6.184 0.000 0.761) 6.231 16.201 ( 0.002 0.000 -2.098) 2.098 16.446 ( 4.134 0.000 1.862) 4.534 16.825 ( -3.596 -0.000 -2.674) 4.481 17.377 ( 7.079 0.000 2.256) 7.430 17.551 ( 3.180 0.000 6.647) 7.368 18.153 ( 4.570 0.000 -11.867) 12.716 ======================= Grid point 16 (11/47) ======================= q-point: ( 0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -1.277 0.381 -0.091) 1.336 0.712 ( 1.582 -4.530 -0.378) 4.813 0.812 ( -1.298 -4.163 0.995) 4.473 0.877 ( 0.590 0.650 -0.683) 1.112 0.945 ( 0.724 -4.573 1.942) 5.021 0.970 ( -0.359 -2.915 -1.966) 3.534 1.139 ( 3.213 4.927 -1.622) 6.101 1.211 ( -0.047 3.777 -1.109) 3.937 1.224 ( -1.461 5.270 0.105) 5.470 1.297 ( 3.138 -0.396 -6.670) 7.382 1.347 ( 0.293 0.461 0.300) 0.624 1.399 ( 1.775 2.263 2.430) 3.765 1.428 ( 5.822 -0.887 2.539) 6.414 1.459 ( -0.515 -0.361 -0.827) 1.039 1.513 ( 2.676 2.841 0.307) 3.915 1.557 ( 0.406 -1.198 2.273) 2.602 1.625 ( 1.799 -1.844 -2.578) 3.644 1.642 ( -2.611 4.549 -1.713) 5.517 1.730 ( -0.408 -5.207 1.272) 5.376 1.738 ( -3.837 0.023 1.131) 4.000 1.810 ( 2.304 0.142 2.941) 3.739 1.847 ( -0.086 2.804 -0.924) 2.953 1.889 ( -0.302 2.909 4.312) 5.211 1.928 ( -1.250 -1.401 0.492) 1.940 1.961 ( -2.320 -3.188 -1.968) 4.407 1.974 ( 1.047 -1.467 -2.086) 2.757 2.048 ( 0.072 1.940 0.278) 1.961 2.093 ( -3.175 1.396 0.232) 3.476 2.163 ( 3.693 -0.438 3.724) 5.263 2.218 ( 3.172 -0.352 -0.534) 3.236 2.295 ( 3.315 -0.823 2.358) 4.150 2.303 ( 1.431 1.651 0.267) 2.201 2.355 ( -1.364 -0.922 -4.152) 4.466 2.407 ( -2.295 -1.948 -0.514) 3.054 2.428 ( -2.463 -3.066 -0.926) 4.040 2.457 ( -0.226 -6.852 -0.159) 6.857 2.484 ( -2.421 -1.190 0.324) 2.717 2.555 ( 0.732 -1.627 0.715) 1.922 2.605 ( -2.270 -1.230 -1.603) 3.039 2.623 ( 1.134 0.486 -0.845) 1.495 2.653 ( -0.667 -2.431 0.050) 2.521 2.692 ( 2.049 -3.206 0.121) 3.807 2.780 ( 0.482 -2.260 0.858) 2.465 2.849 ( 0.882 2.155 -2.029) 3.088 2.864 ( 0.277 3.118 1.657) 3.542 2.905 ( -0.341 0.019 1.041) 1.096 2.980 ( 1.697 0.164 1.037) 1.996 3.028 ( 0.164 -0.822 0.845) 1.191 3.057 ( -0.266 2.325 0.312) 2.361 3.078 ( -1.701 0.154 2.307) 2.871 3.109 ( 0.919 0.326 -1.320) 1.642 3.159 ( 3.800 0.639 -1.545) 4.152 3.189 ( 2.614 0.004 -2.874) 3.885 3.212 ( -1.096 0.323 -0.911) 1.461 3.238 ( 1.759 -2.116 -3.223) 4.238 3.250 ( 0.196 0.791 2.369) 2.505 3.262 ( 0.481 2.073 0.216) 2.139 3.301 ( -1.386 2.319 1.058) 2.901 3.322 ( -2.784 -0.063 -1.516) 3.171 3.362 ( 0.044 1.240 -1.936) 2.299 3.382 ( -0.250 0.340 1.915) 1.961 3.432 ( 0.133 2.293 1.319) 2.649 3.440 ( 0.228 -3.198 1.775) 3.665 3.481 ( -2.107 0.989 -0.272) 2.343 3.517 ( -1.338 1.456 -1.171) 2.298 3.551 ( -3.033 -0.044 -0.336) 3.052 3.571 ( -1.825 -1.556 1.765) 2.978 3.603 ( 1.333 -0.598 0.350) 1.503 3.618 ( -1.471 1.935 0.179) 2.437 3.647 ( -1.160 2.832 0.767) 3.155 3.708 ( -1.525 -2.959 -0.102) 3.331 3.773 ( 0.978 0.942 3.884) 4.115 3.788 ( -2.026 0.392 -1.792) 2.733 3.824 ( -0.525 -0.335 -2.992) 3.056 3.890 ( 0.698 1.647 3.140) 3.614 3.901 ( 2.018 -0.267 -1.806) 2.721 3.926 ( 0.402 -0.326 0.617) 0.805 3.995 ( -0.823 -1.759 -2.895) 3.486 4.016 ( 2.006 -1.081 -0.614) 2.360 4.046 ( -2.357 -1.431 -2.482) 3.710 4.098 ( -1.922 -2.176 1.329) 3.193 4.135 ( 0.778 -3.213 -0.570) 3.354 4.177 ( -0.237 1.001 0.576) 1.179 4.261 ( 0.680 3.813 -0.407) 3.894 4.272 ( -1.507 2.041 1.848) 3.139 4.366 ( 1.868 0.635 0.339) 2.002 4.403 ( 1.523 -0.420 0.384) 1.626 4.437 ( 0.109 -1.812 -0.908) 2.030 4.545 ( -2.893 1.064 -2.480) 3.956 4.609 ( 2.861 1.118 1.030) 3.240 4.703 ( -3.172 -0.636 -0.277) 3.247 4.719 ( -0.356 -0.471 2.977) 3.035 5.338 ( 1.424 -0.461 0.612) 1.617 5.414 ( -0.269 1.246 -1.173) 1.732 5.790 ( 0.156 0.879 0.804) 1.201 5.849 ( 0.007 1.124 -0.318) 1.168 11.131 ( -1.440 -0.595 -1.474) 2.145 11.264 ( 0.750 -0.230 1.559) 1.745 14.024 ( 1.007 -4.884 5.611) 7.507 14.111 ( -4.203 4.998 -5.038) 8.248 14.536 ( -2.127 -3.864 -0.218) 4.416 14.984 ( 2.883 -2.734 0.744) 4.042 16.204 ( 0.106 -1.168 -1.179) 1.663 16.486 ( 2.694 0.637 0.703) 2.856 16.787 ( -2.712 -0.546 -1.054) 2.961 17.427 ( 3.679 2.908 0.982) 4.791 17.564 ( 1.472 3.885 3.137) 5.206 18.105 ( 1.710 6.790 -4.365) 8.252 ======================= Grid point 17 (12/47) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( 0.000 1.215 0.000) 1.215 0.811 ( -0.000 -5.652 -0.000) 5.652 0.838 ( 0.000 2.675 0.000) 2.675 0.900 ( -0.000 -5.293 -0.000) 5.293 1.002 ( -0.000 -1.456 -0.000) 1.456 1.022 ( -0.000 -3.790 -0.000) 3.790 1.057 ( 0.000 7.611 0.000) 7.611 1.127 ( 0.000 2.538 0.000) 2.538 1.180 ( 0.000 1.600 0.000) 1.600 1.238 ( 0.000 11.991 0.000) 11.991 1.309 ( 0.000 1.523 0.000) 1.523 1.324 ( -0.000 -0.563 -0.000) 0.563 1.483 ( -0.000 -2.870 -0.000) 2.870 1.500 ( 0.000 0.129 0.000) 0.129 1.512 ( 0.000 4.030 0.000) 4.030 1.574 ( -0.000 -0.690 -0.000) 0.690 1.619 ( -0.000 -2.225 -0.000) 2.225 1.621 ( 0.000 4.449 0.000) 4.449 1.702 ( 0.000 0.137 0.000) 0.137 1.783 ( -0.000 -0.688 -0.000) 0.688 1.829 ( -0.000 -0.448 -0.000) 0.448 1.842 ( -0.000 -0.987 -0.000) 0.987 1.875 ( -0.000 -1.851 -0.000) 1.851 1.913 ( 0.000 1.533 0.000) 1.533 1.977 ( 0.000 1.663 0.000) 1.663 1.985 ( -0.000 -1.876 -0.000) 1.876 2.029 ( 0.000 2.329 0.000) 2.329 2.077 ( -0.000 -2.193 -0.000) 2.193 2.201 ( 0.000 2.210 0.000) 2.210 2.234 ( -0.000 -0.703 -0.000) 0.703 2.275 ( 0.000 5.233 0.000) 5.233 2.304 ( 0.000 1.132 0.000) 1.132 2.352 ( 0.000 0.810 0.000) 0.810 2.394 ( -0.000 -3.856 -0.000) 3.856 2.478 ( -0.000 -5.887 -0.000) 5.887 2.525 ( 0.000 3.261 0.000) 3.261 2.549 ( -0.000 -5.655 -0.000) 5.655 2.578 ( -0.000 -7.503 -0.000) 7.503 2.613 ( 0.000 1.182 0.000) 1.182 2.639 ( -0.000 -4.083 -0.000) 4.083 2.683 ( -0.000 -3.803 -0.000) 3.803 2.759 ( -0.000 -3.007 -0.000) 3.007 2.795 ( -0.000 -0.820 -0.000) 0.820 2.835 ( -0.000 -0.608 -0.000) 0.608 2.850 ( -0.000 -2.449 -0.000) 2.449 2.909 ( 0.000 0.648 0.000) 0.648 2.963 ( 0.000 3.592 0.000) 3.592 3.012 ( 0.000 2.910 0.000) 2.910 3.050 ( 0.000 0.180 0.000) 0.180 3.061 ( 0.000 0.277 0.000) 0.277 3.087 ( 0.000 7.064 0.000) 7.064 3.137 ( -0.000 -2.156 -0.000) 2.156 3.190 ( 0.000 3.716 0.000) 3.716 3.209 ( 0.000 0.391 0.000) 0.391 3.248 ( -0.000 -1.683 -0.000) 1.683 3.257 ( 0.000 0.548 0.000) 0.548 3.260 ( 0.000 0.521 0.000) 0.521 3.298 ( 0.000 0.503 0.000) 0.503 3.305 ( 0.000 0.162 0.000) 0.162 3.345 ( 0.000 1.874 0.000) 1.874 3.378 ( 0.000 1.386 0.000) 1.386 3.417 ( 0.000 2.768 0.000) 2.768 3.418 ( -0.000 -0.480 -0.000) 0.480 3.490 ( -0.000 -0.514 -0.000) 0.514 3.522 ( -0.000 -4.449 -0.000) 4.449 3.535 ( -0.000 -4.571 -0.000) 4.571 3.581 ( 0.000 1.015 0.000) 1.015 3.585 ( -0.000 -1.590 -0.000) 1.590 3.602 ( 0.000 1.808 0.000) 1.808 3.686 ( -0.000 -5.628 -0.000) 5.628 3.742 ( 0.000 3.120 0.000) 3.120 3.745 ( -0.000 -2.782 -0.000) 2.782 3.769 ( 0.000 0.803 0.000) 0.803 3.816 ( -0.000 -1.325 -0.000) 1.325 3.876 ( 0.000 1.696 0.000) 1.696 3.922 ( -0.000 -0.722 -0.000) 0.722 3.968 ( -0.000 -0.020 -0.000) 0.020 3.988 ( -0.000 -0.523 -0.000) 0.523 4.060 ( -0.000 -3.276 -0.000) 3.276 4.062 ( -0.000 -2.905 -0.000) 2.905 4.104 ( -0.000 -0.889 -0.000) 0.889 4.112 ( 0.000 4.815 0.000) 4.815 4.172 ( 0.000 6.442 0.000) 6.442 4.231 ( -0.000 -4.798 -0.000) 4.798 4.242 ( 0.000 1.572 0.000) 1.572 4.357 ( 0.000 1.143 0.000) 1.143 4.420 ( 0.000 1.956 0.000) 1.956 4.448 ( -0.000 -1.357 -0.000) 1.357 4.503 ( -0.000 -0.099 -0.000) 0.099 4.645 ( 0.000 1.201 0.000) 1.201 4.652 ( -0.000 -0.217 -0.000) 0.217 4.761 ( -0.000 -3.003 -0.000) 3.003 5.367 ( -0.000 -1.930 -0.000) 1.930 5.376 ( 0.000 2.813 0.000) 2.813 5.785 ( 0.000 0.464 0.000) 0.464 5.819 ( 0.000 2.065 0.000) 2.065 11.135 ( -0.000 -1.272 -0.000) 1.272 11.277 ( -0.000 -0.470 -0.000) 0.470 13.965 ( 0.000 8.461 0.000) 8.461 14.161 ( -0.000 -10.151 -0.000) 10.151 14.594 ( -0.000 -4.302 -0.000) 4.302 15.057 ( -0.000 -4.643 -0.000) 4.643 16.227 ( -0.000 -1.710 -0.000) 1.710 16.491 ( 0.000 1.281 0.000) 1.281 16.773 ( -0.000 -0.505 -0.000) 0.505 17.381 ( 0.000 5.643 0.000) 5.643 17.495 ( 0.000 6.680 0.000) 6.680 17.969 ( 0.000 10.048 0.000) 10.048 ======================= Grid point 23 (13/47) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.000 0.000 0.000) 0.000 0.688 ( 0.000 0.000 0.000) 0.000 0.753 ( -0.000 -0.000 0.000) 0.000 0.905 ( 0.000 0.000 0.000) 0.000 0.915 ( 0.000 0.000 -0.000) 0.000 0.935 ( 0.000 0.000 0.000) 0.000 1.229 ( 0.000 0.000 -0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.349 ( 0.000 0.000 0.000) 0.000 1.365 ( -0.000 -0.000 0.000) 0.000 1.388 ( 0.000 0.000 -0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 -0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.599 ( -0.000 -0.000 0.000) 0.000 1.616 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.690 ( 0.000 0.000 0.000) 0.000 1.692 ( 0.000 0.000 -0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 -0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 -0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 -0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 -0.000) 0.000 2.361 ( -0.000 -0.000 0.000) 0.000 2.406 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 -0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 -0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.887 ( -0.000 -0.000 0.000) 0.000 2.904 ( 0.000 0.000 0.000) 0.000 3.017 ( 0.000 0.000 0.000) 0.000 3.024 ( -0.000 -0.000 -0.000) 0.000 3.058 ( 0.000 0.000 0.000) 0.000 3.072 ( 0.000 0.000 0.000) 0.000 3.121 ( -0.000 -0.000 -0.000) 0.000 3.187 ( -0.000 -0.000 -0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.209 ( -0.000 -0.000 0.000) 0.000 3.210 ( 0.000 0.000 -0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.318 ( -0.000 -0.000 0.000) 0.000 3.341 ( 0.000 0.000 0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.410 ( 0.000 0.000 -0.000) 0.000 3.439 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.505 ( -0.000 -0.000 -0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.560 ( -0.000 -0.000 0.000) 0.000 3.571 ( 0.000 0.000 -0.000) 0.000 3.637 ( 0.000 0.000 -0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 -0.000) 0.000 3.768 ( 0.000 0.000 -0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 -0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.961 ( -0.000 -0.000 -0.000) 0.000 3.961 ( -0.000 0.000 -0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.034 ( 0.000 0.000 -0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.195 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.309 ( 0.000 0.000 0.000) 0.000 4.374 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.544 ( 0.000 0.000 0.000) 0.000 4.638 ( 0.000 0.000 0.000) 0.000 4.680 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 5.344 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.797 ( 0.000 0.000 0.000) 0.000 5.861 ( 0.000 0.000 0.000) 0.000 11.115 ( 0.000 0.000 0.000) 0.000 11.270 ( 0.000 0.000 0.000) 0.000 13.999 ( 0.000 0.000 0.000) 0.000 14.115 ( 0.000 0.000 0.000) 0.000 14.490 ( 0.000 0.000 0.000) 0.000 14.985 ( 0.000 0.000 0.000) 0.000 16.191 ( 0.000 0.000 0.000) 0.000 16.508 ( 0.000 0.000 0.000) 0.000 16.768 ( 0.000 0.000 0.000) 0.000 17.476 ( 0.000 0.000 0.000) 0.000 17.608 ( 0.000 0.000 -0.000) 0.000 18.165 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 39 (14/47) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -0.875 -0.000 19.079) 19.099 0.357 ( 2.066 0.000 18.843) 18.956 0.627 ( 1.083 0.000 28.005) 28.025 0.775 ( 0.724 0.000 5.625) 5.672 0.805 ( -2.609 -0.000 1.418) 2.969 0.945 ( -1.448 -0.000 -1.174) 1.864 0.963 ( 3.044 0.000 -0.500) 3.085 1.060 ( 4.079 0.000 -14.877) 15.426 1.092 ( -4.408 -0.000 2.787) 5.216 1.135 ( 0.132 0.000 -8.542) 8.543 1.190 ( 0.476 0.000 -1.329) 1.412 1.216 ( 0.436 0.000 0.615) 0.754 1.317 ( -0.882 -0.000 -3.686) 3.790 1.436 ( 1.447 0.000 -0.534) 1.542 1.467 ( -1.317 -0.000 -0.944) 1.620 1.576 ( 0.905 0.000 3.616) 3.728 1.680 ( -0.220 -0.000 -0.617) 0.655 1.689 ( -2.113 -0.000 -1.236) 2.448 1.748 ( 1.610 0.000 5.211) 5.454 1.774 ( 2.059 0.000 -3.261) 3.856 1.836 ( 0.668 0.000 -1.766) 1.888 1.869 ( 0.011 0.000 -2.388) 2.388 1.903 ( -1.188 -0.000 4.370) 4.529 1.951 ( -2.278 -0.000 -1.158) 2.556 1.965 ( -0.540 0.000 -5.746) 5.771 1.966 ( 2.843 0.000 -2.621) 3.867 2.056 ( -0.074 -0.000 1.039) 1.042 2.109 ( -0.977 -0.000 4.000) 4.117 2.145 ( 0.480 0.000 -2.408) 2.456 2.166 ( -0.479 -0.000 -2.379) 2.427 2.251 ( -0.470 -0.000 -3.195) 3.230 2.328 ( -2.460 -0.000 3.274) 4.096 2.398 ( 4.552 0.000 2.059) 4.996 2.430 ( -1.183 -0.000 1.402) 1.834 2.457 ( -0.127 -0.000 -3.495) 3.498 2.477 ( 0.440 0.000 2.215) 2.258 2.480 ( 1.833 0.000 -1.078) 2.127 2.549 ( -1.457 -0.000 2.428) 2.831 2.580 ( -1.783 -0.000 3.701) 4.108 2.650 ( -1.281 -0.000 -3.734) 3.948 2.698 ( -0.110 -0.000 1.519) 1.523 2.732 ( 0.324 0.000 -1.155) 1.199 2.741 ( -1.625 -0.000 -0.645) 1.748 2.784 ( -0.777 -0.000 1.195) 1.425 2.812 ( -0.289 -0.000 -1.758) 1.782 2.836 ( 0.223 0.000 -3.725) 3.732 2.937 ( -1.830 -0.000 -4.455) 4.816 2.992 ( 0.497 0.000 3.237) 3.275 3.006 ( 0.986 0.000 0.220) 1.010 3.065 ( 4.962 0.000 -6.248) 7.979 3.160 ( -0.216 -0.000 -2.557) 2.566 3.167 ( 1.183 0.000 -1.638) 2.021 3.235 ( -0.052 -0.000 4.076) 4.076 3.240 ( -2.650 -0.000 -0.967) 2.821 3.248 ( 0.146 0.000 -1.964) 1.969 3.279 ( 3.356 0.000 -1.599) 3.718 3.305 ( 1.424 0.000 -0.061) 1.425 3.314 ( -1.198 -0.000 -0.714) 1.395 3.351 ( -2.885 -0.000 4.416) 5.275 3.394 ( -14.801 -0.000 2.267) 14.974 3.418 ( 2.250 0.000 0.334) 2.275 3.440 ( -1.068 -0.000 1.603) 1.926 3.486 ( -0.350 -0.000 -2.120) 2.148 3.505 ( -0.140 -0.000 1.796) 1.802 3.607 ( -1.672 -0.000 3.869) 4.215 3.621 ( 3.055 0.000 2.498) 3.946 3.667 ( -3.325 -0.000 -0.076) 3.326 3.671 ( 0.726 0.000 3.552) 3.625 3.703 ( 2.047 0.000 -0.793) 2.195 3.744 ( 1.500 0.000 -0.043) 1.500 3.769 ( -1.504 -0.000 2.396) 2.828 3.782 ( 3.715 0.000 -1.248) 3.919 3.818 ( 0.742 0.000 0.635) 0.977 3.891 ( 1.316 0.000 -1.314) 1.860 3.891 ( -3.593 -0.000 2.206) 4.216 3.898 ( 0.964 0.000 1.805) 2.047 3.937 ( 1.199 0.000 -1.330) 1.791 3.965 ( 2.938 0.000 0.236) 2.947 3.978 ( -3.292 -0.000 -0.328) 3.308 4.032 ( -1.076 -0.000 -1.105) 1.542 4.038 ( 0.092 0.000 -0.403) 0.413 4.058 ( 4.179 0.000 -0.298) 4.189 4.139 ( 4.200 0.000 -2.127) 4.708 4.252 ( -3.613 -0.000 -4.572) 5.827 4.321 ( -7.628 -0.000 3.595) 8.433 4.389 ( 1.760 0.000 -2.855) 3.354 4.449 ( -0.793 -0.000 0.925) 1.219 4.506 ( 2.871 0.000 -1.145) 3.091 4.570 ( -0.032 -0.000 -0.347) 0.348 4.605 ( 2.436 0.000 -0.875) 2.589 4.733 ( 1.183 0.000 4.358) 4.516 4.842 ( 8.649 0.000 -0.261) 8.653 5.350 ( 3.327 0.000 2.498) 4.160 5.496 ( -2.201 -0.000 -3.744) 4.344 5.765 ( 1.331 0.000 1.306) 1.865 5.804 ( -0.770 -0.000 -0.552) 0.948 11.248 ( 0.875 0.000 0.973) 1.308 11.292 ( -0.859 -0.000 -0.939) 1.273 14.270 ( -4.719 -0.000 1.765) 5.038 14.339 ( 25.685 0.000 -1.189) 25.713 15.097 ( -4.706 -0.000 0.157) 4.709 15.124 ( 14.122 0.000 -1.080) 14.164 16.226 ( -3.480 -0.000 1.052) 3.635 16.272 ( 2.713 0.000 -0.934) 2.869 16.995 ( -17.516 -0.000 -0.098) 17.517 17.021 ( 5.346 0.000 -0.852) 5.413 17.089 ( -38.348 -0.000 3.777) 38.534 17.224 ( 4.835 0.000 -2.489) 5.438 ======================= Grid point 40 (15/47) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 5.955 -3.248 12.173) 13.936 0.529 ( 7.559 -7.815 12.629) 16.665 0.728 ( 0.682 -0.677 0.432) 1.053 0.806 ( -1.786 -3.893 0.172) 4.287 0.926 ( -0.206 -0.867 -1.412) 1.670 0.980 ( 8.194 -6.782 14.219) 17.757 0.990 ( 1.949 -0.212 0.647) 2.064 1.061 ( -3.184 -1.030 -0.461) 3.378 1.089 ( 2.755 -3.349 -10.990) 11.815 1.120 ( 2.727 -1.235 -4.138) 5.107 1.209 ( -1.012 -4.403 -1.125) 4.656 1.273 ( -0.696 -0.983 1.368) 1.822 1.323 ( 1.807 -4.341 0.330) 4.714 1.439 ( 0.734 2.667 -0.480) 2.808 1.460 ( 5.013 0.388 -2.863) 5.786 1.588 ( -2.491 2.524 7.170) 7.999 1.604 ( -0.970 -0.121 -2.292) 2.492 1.713 ( -0.554 -1.727 -2.263) 2.900 1.757 ( -1.064 3.246 0.142) 3.419 1.794 ( -0.431 0.262 1.108) 1.218 1.809 ( 0.919 0.140 -0.181) 0.947 1.888 ( 1.169 -0.811 -0.864) 1.665 1.908 ( -0.229 0.987 -1.331) 1.672 1.922 ( 1.078 -0.270 -0.705) 1.316 1.937 ( 2.144 -0.103 -3.801) 4.365 1.992 ( 1.673 0.487 -2.068) 2.704 2.052 ( -0.465 0.459 0.957) 1.159 2.095 ( -1.878 3.581 3.404) 5.286 2.105 ( -1.085 -0.770 -2.225) 2.593 2.182 ( -0.479 -1.119 0.147) 1.226 2.260 ( 0.598 -1.306 -0.300) 1.467 2.313 ( -1.396 0.871 -0.628) 1.761 2.362 ( -0.809 0.578 2.754) 2.928 2.401 ( 0.052 0.638 0.998) 1.186 2.497 ( 0.250 -3.720 -0.578) 3.773 2.509 ( 2.012 -0.604 0.845) 2.265 2.528 ( 0.400 1.993 -0.980) 2.256 2.546 ( -1.497 -2.766 0.933) 3.280 2.591 ( -0.954 -3.408 3.589) 5.040 2.638 ( -0.878 -3.602 -1.765) 4.106 2.708 ( -0.816 -1.531 -2.203) 2.804 2.726 ( -2.032 -1.536 -0.310) 2.566 2.768 ( -2.741 -4.563 1.432) 5.512 2.808 ( 1.946 -0.864 -2.760) 3.486 2.827 ( 1.134 0.275 -1.083) 1.592 2.855 ( 0.428 -4.063 -1.409) 4.321 2.926 ( -0.415 -2.081 -4.105) 4.621 2.976 ( -2.171 1.566 2.774) 3.855 3.016 ( 0.648 -0.657 1.068) 1.411 3.072 ( 0.286 2.479 -2.525) 3.550 3.102 ( 1.123 2.631 -0.506) 2.905 3.146 ( 0.772 4.282 0.362) 4.366 3.167 ( 0.507 3.129 -3.326) 4.594 3.198 ( -1.266 2.423 -0.799) 2.848 3.239 ( -0.035 0.166 1.358) 1.369 3.265 ( -2.036 -0.492 -0.680) 2.203 3.300 ( 1.253 -0.422 1.445) 1.958 3.313 ( -0.140 1.006 -1.503) 1.814 3.346 ( -0.084 1.764 3.513) 3.932 3.369 ( -2.759 -1.898 -0.218) 3.356 3.429 ( 0.327 2.489 -1.694) 3.029 3.445 ( 1.309 0.977 2.044) 2.617 3.486 ( -0.327 0.743 1.394) 1.613 3.507 ( 1.084 2.408 0.372) 2.667 3.546 ( -5.530 1.765 -0.609) 5.837 3.631 ( -1.874 -1.237 2.175) 3.126 3.657 ( 0.529 -0.537 0.947) 1.210 3.670 ( 0.248 1.019 -0.101) 1.053 3.702 ( -0.809 2.010 3.372) 4.008 3.746 ( -0.473 0.927 0.182) 1.056 3.767 ( -1.170 0.042 2.333) 2.610 3.810 ( 0.525 0.115 2.817) 2.868 3.840 ( 0.385 0.194 -1.026) 1.113 3.844 ( 1.507 -0.340 3.506) 3.831 3.884 ( -2.566 -0.066 0.632) 2.644 3.937 ( -0.847 -0.645 -0.228) 1.089 3.943 ( -1.737 -0.595 0.935) 2.060 3.975 ( 0.201 -1.480 -0.751) 1.672 4.010 ( 3.101 -0.665 -5.083) 5.991 4.039 ( 1.776 -0.341 -1.267) 2.208 4.068 ( 3.163 -1.735 -1.922) 4.087 4.091 ( 4.573 2.925 -3.497) 6.457 4.156 ( 2.911 1.744 0.260) 3.403 4.175 ( -4.599 1.333 -1.301) 4.962 4.234 ( -5.402 0.023 -1.064) 5.506 4.394 ( 0.031 -0.159 0.767) 0.784 4.415 ( -1.132 2.486 2.054) 3.418 4.518 ( -0.052 -1.105 -1.528) 1.887 4.572 ( -1.194 -0.095 -0.044) 1.198 4.616 ( 0.046 -0.022 -1.670) 1.671 4.734 ( 1.332 2.047 5.280) 5.818 4.883 ( 0.986 1.741 -3.172) 3.750 5.319 ( -1.807 2.547 6.324) 7.053 5.439 ( -2.289 0.889 -4.333) 4.981 5.775 ( 0.065 1.396 0.392) 1.451 5.803 ( 1.705 -0.206 -0.085) 1.720 11.234 ( -1.522 1.774 -0.101) 2.340 11.256 ( -0.534 1.125 -0.255) 1.271 14.078 ( 0.729 12.571 12.448) 17.706 14.450 ( 3.295 8.489 -11.094) 14.353 14.696 ( -15.900 0.623 13.054) 20.582 15.266 ( -17.834 -8.442 -6.480) 20.768 16.227 ( -4.928 -4.626 0.277) 6.765 16.315 ( 2.289 -0.644 0.886) 2.537 16.976 ( 0.914 -3.991 -3.681) 5.506 16.997 ( 17.480 8.728 -1.344) 19.584 17.204 ( 4.725 -7.090 1.682) 8.685 17.501 ( 16.849 -12.521 -3.184) 21.232 ======================= Grid point 41 (16/47) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 1.943 -3.316 3.084) 4.928 0.746 ( 3.104 -6.358 3.988) 8.122 0.802 ( 3.638 -4.752 1.599) 6.195 0.866 ( 3.730 -4.131 -1.332) 5.723 0.927 ( 0.257 -0.679 -1.756) 1.900 0.990 ( 0.267 1.391 -3.095) 3.404 1.062 ( -1.576 -4.177 -1.637) 4.755 1.115 ( 5.446 2.367 -1.524) 6.131 1.137 ( 0.074 -5.131 -7.392) 8.998 1.189 ( 3.326 -2.162 -0.159) 3.970 1.214 ( -3.081 3.615 1.339) 4.935 1.243 ( -1.830 0.622 0.095) 1.935 1.399 ( 2.538 0.952 -3.352) 4.311 1.455 ( 3.653 -2.147 3.726) 5.643 1.510 ( -1.030 0.927 0.695) 1.550 1.568 ( 0.320 -1.414 5.404) 5.595 1.618 ( -4.064 -1.839 1.319) 4.651 1.667 ( -1.748 4.864 -0.582) 5.201 1.739 ( -1.172 -0.535 2.684) 2.977 1.766 ( 0.672 -3.670 2.911) 4.733 1.826 ( -1.053 1.347 0.932) 1.948 1.872 ( -1.040 0.909 -1.174) 1.813 1.896 ( 2.014 2.085 -0.041) 2.899 1.949 ( 0.916 -1.539 -1.387) 2.265 1.984 ( 2.743 0.806 -0.909) 3.000 1.991 ( -3.003 0.849 3.561) 4.735 2.036 ( 1.994 -1.998 2.009) 3.465 2.053 ( 0.553 1.251 1.561) 2.075 2.146 ( 2.728 -3.369 -1.591) 4.617 2.179 ( 0.352 0.499 0.835) 1.034 2.263 ( -1.383 1.163 2.074) 2.751 2.306 ( 0.933 -2.503 -1.407) 3.019 2.373 ( 0.008 -2.671 1.118) 2.895 2.452 ( 1.550 -0.869 -1.279) 2.189 2.495 ( 3.449 0.558 -3.659) 5.059 2.533 ( -1.397 -2.432 -0.284) 2.819 2.560 ( -1.559 -3.589 1.781) 4.299 2.597 ( 2.959 -1.908 0.536) 3.561 2.650 ( -1.843 -6.967 -1.251) 7.315 2.693 ( -2.078 -1.501 -2.406) 3.516 2.715 ( 1.461 -0.419 -5.667) 5.867 2.745 ( 0.225 -4.469 -0.139) 4.477 2.760 ( -2.260 -0.801 1.111) 2.643 2.829 ( 0.602 1.357 -0.767) 1.671 2.864 ( 0.194 -2.555 -0.498) 2.610 2.898 ( 1.680 0.088 -0.123) 1.687 2.912 ( -1.359 -0.654 -0.832) 1.722 2.936 ( -1.001 3.010 -0.364) 3.193 3.029 ( 0.772 0.453 0.542) 1.046 3.044 ( 2.147 6.201 -1.646) 6.765 3.080 ( 1.218 -0.053 0.457) 1.302 3.103 ( -1.526 1.080 2.081) 2.798 3.143 ( 1.276 -2.863 -1.643) 3.539 3.199 ( -0.431 1.453 1.612) 2.213 3.217 ( -2.160 5.516 -1.282) 6.061 3.238 ( 0.956 -0.451 -2.991) 3.172 3.267 ( 1.122 -0.104 -0.756) 1.357 3.288 ( -0.793 3.052 1.513) 3.497 3.301 ( -1.666 0.766 3.844) 4.259 3.364 ( 0.334 1.538 0.623) 1.693 3.386 ( 1.305 2.040 -1.477) 2.837 3.424 ( -4.477 -0.707 1.605) 4.808 3.463 ( -0.500 0.086 -0.064) 0.511 3.495 ( 0.330 2.516 -0.911) 2.696 3.514 ( 0.033 0.485 -0.940) 1.058 3.595 ( -2.750 0.505 0.937) 2.949 3.617 ( -1.945 2.975 1.087) 3.717 3.664 ( -0.972 2.166 3.112) 3.914 3.716 ( -1.843 1.522 3.377) 4.138 3.730 ( -0.649 -0.858 2.540) 2.759 3.735 ( -0.853 -1.498 -0.977) 1.982 3.802 ( -0.370 2.031 3.749) 4.280 3.840 ( -0.714 1.112 -3.298) 3.553 3.852 ( -1.494 -0.181 -3.578) 3.882 3.860 ( 0.937 -0.611 0.844) 1.401 3.906 ( -2.081 1.252 0.669) 2.519 3.935 ( -2.022 0.033 0.576) 2.102 3.968 ( -0.463 0.241 0.576) 0.778 4.000 ( -2.266 1.320 -0.480) 2.667 4.058 ( 2.230 -1.269 -4.213) 4.933 4.086 ( 2.857 0.673 -4.648) 5.498 4.125 ( 3.815 -1.449 0.632) 4.129 4.159 ( 1.616 -1.539 -2.841) 3.613 4.174 ( -2.419 1.024 -2.523) 3.642 4.239 ( 6.636 -1.356 6.495) 9.384 4.381 ( -0.186 1.618 1.056) 1.941 4.403 ( -2.513 -1.733 3.037) 4.306 4.527 ( -0.373 -0.720 -1.358) 1.582 4.543 ( -1.939 0.540 -0.610) 2.103 4.587 ( -2.550 0.903 -3.713) 4.594 4.750 ( 1.659 0.327 3.792) 4.152 4.821 ( -1.809 3.861 0.304) 4.274 5.308 ( -0.428 -0.247 2.219) 2.273 5.406 ( -0.167 0.087 -2.194) 2.202 5.746 ( -0.288 1.563 -0.222) 1.605 5.830 ( 1.584 -0.196 0.215) 1.610 11.189 ( -1.913 0.336 -1.809) 2.654 11.249 ( 1.173 0.759 1.494) 2.045 14.036 ( 2.507 1.066 6.887) 7.406 14.198 ( -6.917 10.452 -11.484) 16.999 14.695 ( -1.711 -2.795 4.909) 5.902 15.149 ( -9.244 -0.974 0.962) 9.344 16.229 ( -3.219 -1.898 0.385) 3.757 16.360 ( 1.616 -1.619 -0.137) 2.291 16.971 ( -0.285 -0.047 0.298) 0.415 17.114 ( 12.133 2.341 -2.894) 12.691 17.335 ( 1.167 -4.502 -0.177) 4.654 17.813 ( 11.089 -5.584 1.778) 12.543 ======================= Grid point 42 (17/47) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -0.926 -0.028 3.520) 3.639 0.847 ( 0.023 -0.207 -0.254) 0.328 0.877 ( -1.963 -2.814 -1.583) 3.778 0.908 ( 0.402 1.770 -6.246) 6.505 0.952 ( 1.585 -0.035 -1.032) 1.892 0.992 ( -0.422 -0.679 -1.610) 1.798 1.030 ( -5.324 4.062 -5.492) 8.660 1.083 ( 2.123 0.965 0.026) 2.332 1.140 ( 1.907 1.687 -1.003) 2.736 1.169 ( 1.271 -1.672 1.677) 2.688 1.250 ( 3.906 -2.490 -3.748) 5.958 1.287 ( 1.498 -3.318 -2.091) 4.199 1.394 ( -3.358 1.656 0.877) 3.846 1.459 ( -0.767 0.905 -0.768) 1.413 1.495 ( -3.407 0.540 4.701) 5.831 1.572 ( -2.426 3.049 6.171) 7.299 1.610 ( 1.050 -3.639 0.081) 3.788 1.638 ( 1.323 -2.283 3.109) 4.078 1.753 ( -2.440 -1.659 1.336) 3.240 1.791 ( 0.017 3.691 -0.553) 3.732 1.802 ( 0.858 0.185 -0.774) 1.171 1.848 ( -0.815 0.494 1.169) 1.508 1.869 ( 0.705 2.409 0.529) 2.565 1.951 ( -0.313 2.060 0.812) 2.236 1.984 ( -0.248 -2.853 -1.348) 3.165 2.009 ( 0.948 -0.821 1.723) 2.131 2.047 ( 1.153 1.441 4.449) 4.817 2.080 ( -0.999 -0.084 1.116) 1.500 2.164 ( 1.382 1.715 2.718) 3.498 2.203 ( -2.648 3.010 2.304) 4.624 2.245 ( 1.860 -0.049 2.627) 3.219 2.384 ( 1.975 -3.530 0.031) 4.045 2.441 ( -2.654 -2.953 -2.786) 4.850 2.444 ( -2.040 -0.901 -1.964) 2.971 2.511 ( 2.502 -2.803 -1.253) 3.960 2.542 ( -1.149 3.475 0.427) 3.685 2.607 ( 2.184 -1.050 -1.149) 2.682 2.627 ( -3.216 2.941 -1.364) 4.567 2.672 ( 1.440 -2.786 1.389) 3.430 2.695 ( 2.672 -0.085 -4.377) 5.129 2.737 ( 0.065 -3.049 -4.709) 5.610 2.783 ( 0.142 1.825 -1.720) 2.512 2.796 ( -1.119 -1.796 -1.180) 2.423 2.806 ( 1.787 3.529 0.291) 3.967 2.837 ( 0.997 0.036 -1.841) 2.094 2.884 ( 1.391 -3.126 -1.439) 3.711 2.933 ( 1.284 1.273 -1.490) 2.343 2.950 ( -1.506 -1.536 1.113) 2.422 2.957 ( -0.575 1.066 0.783) 1.442 3.032 ( -0.259 3.043 0.995) 3.212 3.062 ( -1.528 -1.218 1.199) 2.292 3.078 ( -1.634 0.173 2.470) 2.966 3.151 ( 3.994 -1.698 0.464) 4.365 3.202 ( 0.288 -1.387 -1.424) 2.009 3.222 ( -1.000 1.571 0.446) 1.915 3.234 ( 2.102 -0.576 0.816) 2.327 3.276 ( -0.224 2.017 3.139) 3.738 3.300 ( 1.054 -1.404 -0.316) 1.784 3.304 ( 1.002 -0.995 -0.586) 1.529 3.335 ( 0.068 -1.784 -2.186) 2.823 3.361 ( -0.049 0.966 -1.003) 1.393 3.388 ( -3.337 -0.668 0.905) 3.522 3.452 ( -0.407 2.463 -0.261) 2.510 3.468 ( 2.457 1.128 -1.078) 2.911 3.497 ( 0.860 1.443 -0.651) 1.801 3.535 ( -0.390 0.504 1.627) 1.748 3.589 ( -2.080 -1.398 -1.366) 2.855 3.651 ( -1.460 1.172 5.078) 5.412 3.675 ( 0.465 -0.225 -0.892) 1.031 3.738 ( -0.575 -0.095 -0.113) 0.594 3.744 ( -2.361 0.299 2.965) 3.802 3.783 ( -0.674 0.627 -0.990) 1.352 3.831 ( -1.353 0.036 -0.526) 1.452 3.833 ( 1.656 -1.575 1.167) 2.566 3.853 ( 0.533 2.578 -1.308) 2.939 3.883 ( -0.172 0.270 0.649) 0.723 3.940 ( -0.415 -1.506 2.227) 2.720 3.974 ( 1.091 0.538 0.271) 1.246 4.004 ( -0.990 -3.144 0.724) 3.374 4.046 ( -0.221 1.155 -2.894) 3.124 4.087 ( 1.107 0.737 -3.810) 4.036 4.146 ( 0.419 0.040 1.376) 1.439 4.159 ( 1.919 0.606 -4.697) 5.110 4.207 ( 1.372 -1.951 0.933) 2.562 4.317 ( 0.348 0.355 2.797) 2.841 4.383 ( 0.685 -0.801 0.381) 1.120 4.417 ( -2.594 -3.160 -0.213) 4.094 4.510 ( -1.013 1.062 -0.250) 1.489 4.518 ( -2.667 0.842 -0.542) 2.849 4.534 ( 0.792 -0.042 0.152) 0.808 4.731 ( -1.391 3.074 -2.383) 4.130 4.791 ( 1.689 0.628 4.763) 5.092 5.317 ( 0.108 -0.116 -0.184) 0.243 5.408 ( 0.487 -0.777 -0.483) 1.037 5.729 ( 0.167 0.243 -0.265) 0.397 5.842 ( -0.020 0.014 0.197) 0.198 11.169 ( -0.832 -0.591 -1.662) 1.950 11.266 ( 1.523 0.077 1.883) 2.423 13.920 ( -6.265 7.614 -8.854) 13.252 14.148 ( 5.153 -5.103 0.576) 7.275 14.735 ( 1.677 -1.188 3.013) 3.647 15.085 ( -2.782 2.032 3.376) 4.823 16.226 ( -0.709 -0.837 0.251) 1.126 16.386 ( 0.383 -0.020 -0.475) 0.611 16.973 ( -1.189 -0.984 0.436) 1.604 17.178 ( 5.264 2.368 -0.779) 5.824 17.363 ( -2.147 -0.757 -1.402) 2.674 17.954 ( 0.162 -3.485 3.228) 4.753 ======================= Grid point 43 (18/47) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -4.151 6.663 0.672) 7.879 0.692 ( -7.675 6.878 -2.290) 10.557 0.735 ( -4.645 8.632 4.064) 10.611 0.864 ( 0.556 0.741 -0.439) 1.025 0.939 ( -0.706 2.565 1.064) 2.866 0.969 ( -0.336 1.170 -0.979) 1.562 1.014 ( -1.457 -0.043 -1.109) 1.831 1.108 ( 0.938 -1.612 -0.883) 2.063 1.150 ( 0.272 -0.293 -2.694) 2.723 1.202 ( -0.590 1.532 -0.143) 1.647 1.268 ( -6.720 3.757 3.554) 8.479 1.284 ( 4.427 -0.252 -3.776) 5.825 1.371 ( -0.541 -7.082 -6.643) 9.725 1.426 ( -0.353 6.521 1.333) 6.666 1.481 ( -1.921 0.400 -0.175) 1.970 1.539 ( -0.568 -1.499 4.885) 5.141 1.652 ( -2.372 5.014 1.860) 5.851 1.686 ( -0.421 -2.147 3.139) 3.827 1.713 ( 1.456 -1.189 0.335) 1.909 1.775 ( 0.104 -2.538 2.449) 3.529 1.806 ( 0.939 0.980 -1.304) 1.882 1.855 ( -1.059 -1.847 -0.407) 2.167 1.870 ( 2.261 -0.516 -0.215) 2.329 1.923 ( -0.790 1.159 0.835) 1.632 2.005 ( -2.903 -0.287 2.798) 4.042 2.014 ( -0.173 -0.794 -2.267) 2.408 2.047 ( -1.564 0.545 2.808) 3.261 2.106 ( 3.683 -1.259 2.147) 4.445 2.150 ( -2.499 1.065 1.789) 3.253 2.175 ( 1.824 0.103 2.968) 3.485 2.235 ( 1.400 1.515 -1.363) 2.473 2.365 ( -0.100 4.099 -3.365) 5.305 2.393 ( -4.018 2.204 1.046) 4.701 2.446 ( -1.904 4.237 -3.124) 5.598 2.469 ( -1.518 -1.887 1.659) 2.936 2.538 ( 0.908 3.625 -2.138) 4.306 2.563 ( -0.679 3.104 1.218) 3.403 2.588 ( -0.349 -1.740 0.106) 1.778 2.642 ( 0.476 5.382 -1.549) 5.620 2.702 ( -0.205 2.223 -0.259) 2.248 2.736 ( 3.509 2.188 -1.447) 4.381 2.764 ( 1.272 -0.260 -4.310) 4.502 2.791 ( 0.320 -1.464 0.135) 1.504 2.842 ( 0.322 2.875 -0.664) 2.968 2.873 ( 1.779 1.841 -0.058) 2.561 2.897 ( 2.075 -2.552 -2.240) 3.979 2.911 ( -0.756 -0.167 0.399) 0.871 2.954 ( 0.111 -2.034 -1.663) 2.629 2.988 ( 0.276 -1.924 -0.216) 1.955 3.026 ( -0.494 -2.007 -0.168) 2.074 3.057 ( -2.104 4.753 2.580) 5.803 3.086 ( -3.428 -4.456 -0.495) 5.644 3.164 ( -0.267 -0.149 -0.460) 0.552 3.236 ( 0.494 -2.314 -0.181) 2.373 3.250 ( 3.028 -2.991 -1.277) 4.443 3.259 ( 0.775 0.177 -0.625) 1.011 3.293 ( -1.354 -0.398 0.328) 1.449 3.312 ( 1.943 -1.847 -0.338) 2.702 3.331 ( 0.496 -3.045 2.376) 3.894 3.368 ( -0.922 -2.211 1.202) 2.680 3.374 ( 0.459 -1.392 1.292) 1.954 3.407 ( 0.969 -1.750 -2.097) 2.898 3.432 ( 0.805 -0.771 4.517) 4.652 3.498 ( 2.934 -1.381 -1.093) 3.422 3.523 ( 5.280 -1.002 -1.864) 5.689 3.581 ( -0.483 -1.490 -4.531) 4.794 3.607 ( 2.947 -3.006 2.504) 4.899 3.642 ( -2.201 -0.676 4.399) 4.965 3.665 ( 1.210 1.078 -1.574) 2.259 3.717 ( -2.351 1.059 5.158) 5.766 3.752 ( 1.291 -0.884 0.322) 1.598 3.762 ( -0.989 1.538 0.603) 1.926 3.810 ( 0.809 2.307 3.165) 3.999 3.835 ( 0.566 2.716 -1.993) 3.416 3.866 ( -0.559 -1.542 0.709) 1.787 3.892 ( 3.118 -2.292 -0.836) 3.959 3.958 ( -0.092 -0.537 -1.085) 1.214 3.972 ( -0.851 0.311 0.076) 0.909 4.016 ( -0.639 -0.514 -0.584) 1.007 4.016 ( -3.184 -0.980 -1.906) 3.838 4.082 ( -0.056 1.156 -1.227) 1.687 4.159 ( 0.694 1.004 2.525) 2.804 4.170 ( 2.967 0.019 -5.258) 6.037 4.227 ( -1.058 -1.672 -1.671) 2.590 4.340 ( -0.033 -2.316 2.255) 3.232 4.388 ( -1.848 -1.663 -5.027) 5.608 4.395 ( -1.322 -0.547 2.360) 2.759 4.463 ( -2.788 1.313 -2.500) 3.968 4.529 ( 0.746 -1.319 4.478) 4.728 4.569 ( 2.480 0.251 2.563) 3.575 4.670 ( -1.081 1.835 -1.347) 2.520 4.812 ( 2.479 1.664 1.704) 3.438 5.300 ( -0.640 1.902 1.278) 2.379 5.444 ( 1.215 -2.793 -1.373) 3.341 5.738 ( 0.574 -0.690 -0.206) 0.920 5.832 ( -1.583 -0.001 0.200) 1.596 11.177 ( 0.614 -1.335 -1.077) 1.822 11.287 ( 0.751 -0.155 0.564) 0.952 13.762 ( -2.489 3.720 2.333) 5.047 14.293 ( 4.174 -5.769 -4.912) 8.650 14.825 ( 5.809 -3.967 3.655) 7.927 15.025 ( 3.092 6.559 1.005) 7.320 16.241 ( 1.034 -0.518 0.347) 1.207 16.364 ( -0.271 2.608 -0.128) 2.625 16.976 ( -2.476 -2.193 0.217) 3.315 17.138 ( -2.550 3.850 -2.304) 5.161 17.321 ( -2.175 2.269 -0.372) 3.165 17.969 ( -11.591 -6.547 0.631) 13.327 ======================= Grid point 44 (19/47) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -7.021 10.344 8.455) 15.093 0.469 ( -8.234 10.959 11.363) 17.805 0.692 ( -1.521 3.235 6.589) 7.496 0.806 ( -7.986 7.130 12.516) 16.470 0.853 ( -1.744 3.250 2.730) 4.589 0.943 ( 1.496 1.397 0.264) 2.064 0.974 ( -1.387 1.196 -0.250) 1.848 1.104 ( 0.878 2.356 -11.277) 11.554 1.121 ( -1.522 -0.058 0.001) 1.523 1.143 ( -0.100 0.179 -2.107) 2.117 1.202 ( 0.384 1.238 -1.958) 2.348 1.274 ( -0.557 5.293 -0.464) 5.343 1.378 ( -0.929 0.473 -6.919) 6.997 1.397 ( 1.015 -1.931 -2.672) 3.449 1.458 ( -2.145 -2.306 -0.182) 3.154 1.584 ( -1.129 -0.306 5.071) 5.204 1.625 ( -0.696 -3.391 2.331) 4.174 1.694 ( 1.103 1.710 3.275) 3.856 1.746 ( 2.579 -0.763 -2.311) 3.546 1.780 ( -1.207 2.178 1.095) 2.721 1.842 ( -2.157 -2.456 -2.955) 4.406 1.863 ( 1.886 -1.275 -0.744) 2.395 1.902 ( -0.985 -0.852 0.881) 1.573 1.922 ( 1.913 -1.282 0.060) 2.303 1.961 ( -3.440 1.047 3.658) 5.130 2.013 ( -1.063 -0.799 -2.889) 3.180 2.054 ( -0.936 -0.758 1.160) 1.673 2.105 ( -1.754 0.314 2.189) 2.822 2.138 ( 1.451 0.769 -4.018) 4.341 2.205 ( 1.612 2.848 -2.923) 4.388 2.262 ( 1.956 -1.922 -2.367) 3.623 2.297 ( 1.299 -0.454 2.245) 2.633 2.347 ( 0.899 1.627 1.963) 2.703 2.393 ( -2.229 -1.391 -0.262) 2.641 2.470 ( 0.208 0.631 1.370) 1.523 2.495 ( 0.114 3.131 1.187) 3.351 2.530 ( -0.712 1.521 0.297) 1.706 2.556 ( -0.834 2.588 1.869) 3.299 2.587 ( 0.636 2.252 0.315) 2.361 2.680 ( -0.464 0.235 0.203) 0.558 2.717 ( 0.188 3.572 -1.924) 4.061 2.767 ( 1.954 1.977 -4.720) 5.477 2.770 ( 0.874 2.448 -0.216) 2.608 2.807 ( -0.898 -0.299 -2.572) 2.740 2.854 ( -1.429 2.278 -0.348) 2.711 2.877 ( -1.607 2.389 0.681) 2.959 2.939 ( 4.663 1.470 3.421) 5.967 2.971 ( -1.334 -0.714 -1.723) 2.293 2.987 ( 0.366 -0.274 -0.985) 1.086 3.032 ( 2.654 -1.424 -4.629) 5.523 3.096 ( 1.236 -6.121 -0.333) 6.253 3.130 ( -1.475 -4.737 -0.520) 4.988 3.163 ( 0.622 -0.754 0.189) 0.995 3.250 ( 0.619 1.536 -0.049) 1.656 3.258 ( -1.271 -0.267 -0.995) 1.636 3.281 ( 0.619 -0.369 0.330) 0.792 3.291 ( 1.103 -0.167 -1.106) 1.571 3.326 ( 0.354 1.415 1.694) 2.236 3.349 ( -2.933 -2.111 -0.093) 3.615 3.397 ( -0.183 -1.740 0.290) 1.773 3.436 ( -0.424 -2.158 3.192) 3.876 3.461 ( 0.034 -0.538 2.418) 2.478 3.489 ( -0.321 -2.522 -1.398) 2.901 3.550 ( -3.775 -5.729 -1.788) 7.090 3.571 ( 3.452 0.976 2.748) 4.519 3.609 ( 3.355 -3.349 -0.962) 4.837 3.638 ( -1.030 0.157 4.193) 4.321 3.684 ( -2.102 1.285 -0.903) 2.624 3.699 ( 1.855 -1.613 1.608) 2.937 3.702 ( 1.034 0.134 1.416) 1.758 3.725 ( 2.490 0.338 -0.374) 2.541 3.759 ( 0.773 0.112 1.325) 1.538 3.802 ( 0.915 1.375 0.998) 1.930 3.844 ( 0.753 -3.406 4.326) 5.557 3.902 ( 1.062 -0.293 0.898) 1.421 3.926 ( -0.331 2.187 -0.075) 2.213 3.937 ( 0.661 0.931 -0.500) 1.247 3.975 ( 2.174 2.027 -2.645) 3.979 4.002 ( -1.277 -2.623 -2.127) 3.610 4.026 ( 0.699 0.018 -2.104) 2.217 4.050 ( -2.841 -1.403 0.276) 3.180 4.105 ( -0.460 2.567 -2.743) 3.785 4.146 ( -4.116 2.108 -5.709) 7.347 4.260 ( 1.080 -2.865 -1.183) 3.282 4.354 ( -3.051 -1.477 -0.819) 3.487 4.399 ( -0.771 0.013 -3.642) 3.723 4.418 ( -0.131 -1.776 2.576) 3.132 4.445 ( 5.036 0.007 3.939) 6.394 4.573 ( 2.168 0.638 -0.571) 2.331 4.588 ( 0.227 -0.944 0.583) 1.132 4.648 ( -0.757 -1.199 6.476) 6.630 4.809 ( 4.311 4.050 0.430) 5.930 5.280 ( 0.849 0.494 3.829) 3.953 5.496 ( 0.576 -2.533 -2.311) 3.477 5.752 ( 0.438 -0.189 0.362) 0.599 5.815 ( -1.674 -0.466 0.008) 1.738 11.214 ( 1.602 -1.670 -0.085) 2.315 11.291 ( -0.425 -0.439 -0.956) 1.135 13.819 ( 7.056 -6.712 20.124) 22.356 14.361 ( 3.024 0.611 -4.087) 5.120 14.902 ( -2.509 1.635 11.554) 11.936 15.091 ( 23.544 2.209 -10.139) 25.729 16.257 ( 1.434 0.986 0.277) 1.762 16.306 ( 0.129 4.722 0.469) 4.746 16.991 ( -2.314 -3.475 -0.826) 4.256 17.033 ( -3.715 1.741 -1.896) 4.520 17.236 ( -3.975 3.089 -0.540) 5.064 17.835 ( -35.014 -8.657 -15.851) 39.398 ======================= Grid point 46 (20/47) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 9.161 0.000 11.477) 14.685 0.630 ( 5.442 0.000 10.420) 11.755 0.738 ( 4.255 0.000 -2.664) 5.020 0.747 ( 0.850 0.000 -0.475) 0.974 0.905 ( -0.384 -0.000 -2.409) 2.439 0.980 ( -4.771 -0.000 4.028) 6.244 1.035 ( 2.058 0.000 -2.696) 3.392 1.066 ( 3.873 0.000 -12.869) 13.439 1.079 ( 6.108 0.000 2.734) 6.692 1.140 ( 1.326 0.000 -4.196) 4.401 1.166 ( 7.858 0.000 8.380) 11.488 1.286 ( 4.422 0.000 1.724) 4.747 1.326 ( 0.723 0.000 3.156) 3.238 1.465 ( -0.306 -0.000 3.644) 3.657 1.497 ( 4.691 0.000 -3.116) 5.632 1.608 ( -1.283 -0.000 5.205) 5.360 1.609 ( -4.621 -0.000 -0.947) 4.717 1.655 ( 1.566 0.000 -5.787) 5.995 1.778 ( 0.439 0.000 -1.367) 1.436 1.795 ( 1.059 0.000 1.911) 2.184 1.834 ( 0.877 0.000 -10.119) 10.157 1.857 ( -1.235 -0.000 3.800) 3.995 1.889 ( 0.657 0.000 -3.301) 3.366 1.961 ( 1.245 0.000 2.993) 3.242 1.987 ( 1.969 0.000 -5.238) 5.596 2.000 ( 3.452 0.000 0.487) 3.486 2.037 ( -2.172 -0.000 0.450) 2.218 2.090 ( -1.042 -0.000 0.482) 1.148 2.147 ( -0.937 -0.000 2.227) 2.416 2.154 ( -0.829 -0.000 1.405) 1.631 2.269 ( 1.929 0.000 5.139) 5.489 2.288 ( -0.779 -0.000 -2.464) 2.584 2.370 ( -2.593 -0.000 -3.658) 4.484 2.382 ( -2.392 -0.000 1.392) 2.767 2.437 ( 1.209 0.000 0.541) 1.325 2.488 ( -0.818 -0.000 0.212) 0.845 2.520 ( -4.346 -0.000 3.103) 5.341 2.583 ( 0.498 0.000 -0.013) 0.498 2.583 ( 2.371 0.000 2.037) 3.126 2.596 ( -1.216 -0.000 -0.978) 1.560 2.668 ( -3.405 -0.000 2.807) 4.413 2.680 ( -0.674 -0.000 1.054) 1.252 2.707 ( -1.312 -0.000 1.037) 1.673 2.785 ( 0.386 0.000 -5.443) 5.457 2.854 ( 2.496 0.000 -1.681) 3.009 2.855 ( 4.889 0.000 -2.705) 5.587 2.894 ( 1.788 0.000 -4.894) 5.211 2.950 ( -3.553 -0.000 3.066) 4.693 3.025 ( -1.236 -0.000 4.772) 4.930 3.098 ( 0.545 0.000 -0.433) 0.696 3.100 ( -0.451 -0.000 -3.397) 3.426 3.147 ( -1.084 -0.000 1.175) 1.598 3.204 ( -2.005 -0.000 -0.466) 2.058 3.219 ( -2.610 -0.000 0.641) 2.688 3.245 ( 0.533 0.000 0.259) 0.593 3.263 ( 2.933 0.000 -0.801) 3.041 3.288 ( 0.570 0.000 -3.902) 3.944 3.306 ( 0.906 0.000 -0.706) 1.149 3.369 ( 1.881 0.000 -0.765) 2.031 3.381 ( 0.066 0.000 5.363) 5.364 3.460 ( 1.359 0.000 -2.603) 2.936 3.465 ( -1.138 -0.000 2.316) 2.580 3.503 ( 0.279 0.000 -1.314) 1.343 3.516 ( 0.142 0.000 1.720) 1.726 3.531 ( -5.986 -0.000 -0.979) 6.066 3.596 ( -4.366 -0.000 1.157) 4.517 3.630 ( 0.953 0.000 3.315) 3.450 3.661 ( -1.444 -0.000 -0.518) 1.534 3.730 ( -2.003 -0.000 -3.873) 4.361 3.756 ( 2.629 0.000 2.953) 3.954 3.775 ( -1.205 -0.000 0.692) 1.390 3.795 ( -0.260 -0.000 1.512) 1.534 3.831 ( -2.263 -0.000 0.708) 2.371 3.840 ( -1.475 -0.000 3.127) 3.458 3.874 ( -3.226 -0.000 -0.455) 3.257 3.931 ( 1.026 0.000 1.565) 1.872 3.951 ( 0.195 0.000 4.972) 4.976 3.976 ( 0.541 0.000 -4.416) 4.449 4.003 ( 3.183 0.000 -0.496) 3.221 4.046 ( -0.947 -0.000 -3.062) 3.205 4.079 ( 1.318 0.000 -4.009) 4.220 4.122 ( -2.637 -0.000 -1.620) 3.095 4.146 ( -2.871 -0.000 -0.015) 2.871 4.168 ( 3.136 0.000 -2.184) 3.822 4.244 ( 5.448 0.000 2.464) 5.980 4.391 ( -1.464 -0.000 2.709) 3.079 4.412 ( -1.952 -0.000 1.113) 2.247 4.490 ( -2.240 -0.000 -0.335) 2.265 4.575 ( 0.223 0.000 -0.830) 0.859 4.598 ( -1.216 -0.000 -2.808) 3.060 4.755 ( -1.757 -0.000 2.233) 2.841 4.872 ( -2.236 -0.000 -3.060) 3.790 5.337 ( -2.585 -0.000 6.694) 7.176 5.399 ( -1.650 -0.000 -4.870) 5.142 5.804 ( 1.239 0.000 -1.625) 2.043 5.814 ( 1.152 0.000 1.513) 1.902 11.214 ( -3.876 -0.000 -1.454) 4.140 11.260 ( -0.080 -0.000 1.647) 1.649 14.183 ( -2.265 -0.000 -5.346) 5.806 14.508 ( -29.156 -0.000 29.397) 41.404 14.651 ( 11.082 0.000 -6.237) 12.717 14.794 ( -13.920 -0.000 -4.667) 14.682 16.198 ( -0.101 -0.000 0.125) 0.161 16.351 ( 4.124 0.000 -0.154) 4.127 16.913 ( -3.705 -0.000 0.031) 3.705 17.179 ( 6.412 0.000 -2.013) 6.720 17.517 ( 31.403 0.000 -21.513) 38.065 17.536 ( 13.248 0.000 13.534) 18.939 ======================= Grid point 47 (21/47) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 1.192 0.427 3.493) 3.715 0.726 ( -1.128 -2.619 2.599) 3.859 0.780 ( 3.632 -1.075 1.944) 4.258 0.898 ( 10.224 -3.580 -0.704) 10.856 0.907 ( 1.546 -1.891 0.017) 2.442 0.961 ( -4.689 -3.192 2.446) 6.178 1.021 ( 1.780 2.686 -4.112) 5.224 1.063 ( 3.190 -0.838 -9.819) 10.358 1.167 ( 1.925 -1.900 -4.048) 4.868 1.188 ( 4.731 -4.575 -0.989) 6.655 1.251 ( 3.344 4.342 1.140) 5.597 1.310 ( 4.957 2.956 3.504) 6.752 1.429 ( 0.575 1.795 -1.837) 2.632 1.444 ( 1.256 -3.084 6.338) 7.159 1.539 ( -3.393 1.372 2.175) 4.257 1.572 ( 4.563 -1.337 -2.054) 5.179 1.586 ( -1.251 1.561 3.315) 3.872 1.699 ( 0.240 -1.985 0.249) 2.015 1.726 ( -2.442 0.853 -1.321) 2.904 1.780 ( 1.730 4.582 1.027) 5.004 1.804 ( -0.946 -1.275 0.738) 1.751 1.895 ( -1.120 0.018 0.380) 1.183 1.929 ( 0.537 -0.421 -1.043) 1.246 1.933 ( 1.331 -1.985 -1.583) 2.866 1.985 ( -1.068 1.731 1.964) 2.827 2.013 ( -1.487 0.739 2.407) 2.924 2.054 ( 4.001 -2.686 -4.867) 6.849 2.079 ( 0.337 1.296 1.039) 1.695 2.107 ( 1.469 0.919 3.283) 3.712 2.171 ( -1.490 -1.562 -0.566) 2.232 2.279 ( 1.219 -1.619 -1.566) 2.561 2.291 ( 0.376 1.223 3.596) 3.817 2.365 ( -0.652 -0.655 1.950) 2.158 2.419 ( -0.414 -3.863 -2.003) 4.371 2.450 ( -4.521 -3.085 0.888) 5.544 2.501 ( 0.152 -2.200 1.746) 2.813 2.517 ( 0.818 0.540 -3.005) 3.161 2.546 ( -1.425 -3.026 -1.900) 3.846 2.600 ( -0.309 -2.750 -0.511) 2.814 2.611 ( 1.138 -0.699 0.900) 1.610 2.688 ( -1.103 -1.257 0.975) 1.936 2.703 ( -1.741 -3.509 1.363) 4.147 2.724 ( 2.854 -1.558 -1.875) 3.753 2.799 ( -0.725 -3.017 -3.202) 4.459 2.854 ( 1.080 1.523 0.030) 1.867 2.910 ( 0.987 0.935 -1.399) 1.951 2.917 ( 4.019 -1.296 -1.461) 4.469 2.948 ( 0.290 -0.779 -0.341) 0.898 3.024 ( -0.270 -0.459 3.326) 3.369 3.092 ( 2.196 -0.342 -0.783) 2.356 3.119 ( 0.697 0.193 -0.352) 0.804 3.131 ( 0.468 0.627 0.474) 0.914 3.174 ( -1.252 3.465 0.474) 3.714 3.205 ( -1.576 0.959 0.391) 1.886 3.209 ( 0.652 -1.209 -2.348) 2.720 3.254 ( -2.438 3.087 -3.345) 5.163 3.278 ( 1.041 -0.553 0.269) 1.209 3.320 ( -0.877 -0.214 0.905) 1.279 3.336 ( -1.536 4.438 2.581) 5.358 3.372 ( -1.373 1.606 -1.270) 2.465 3.410 ( -0.763 3.126 1.709) 3.644 3.453 ( 1.164 2.421 -1.438) 3.047 3.462 ( -1.408 2.425 0.724) 2.896 3.503 ( 0.295 -0.791 -1.049) 1.346 3.525 ( -1.891 -1.452 2.035) 3.135 3.573 ( 0.186 0.365 -1.164) 1.234 3.643 ( -1.088 1.050 0.943) 1.782 3.661 ( -2.811 -1.752 1.815) 3.777 3.679 ( -2.179 1.033 -1.393) 2.785 3.727 ( -3.759 4.541 2.133) 6.269 3.755 ( 0.227 0.300 0.786) 0.871 3.793 ( -3.660 -2.023 -0.035) 4.182 3.816 ( -1.507 0.262 -2.143) 2.633 3.842 ( 0.880 -0.326 4.358) 4.458 3.859 ( 0.309 1.176 2.773) 3.028 3.918 ( -2.268 1.673 0.104) 2.820 3.933 ( 0.469 1.254 1.440) 1.966 3.965 ( -0.665 0.815 -2.073) 2.324 3.989 ( -0.880 -1.015 -2.127) 2.515 4.039 ( 0.453 -2.814 -6.372) 6.980 4.101 ( 1.420 -0.411 -1.018) 1.795 4.137 ( -1.203 -2.844 -1.028) 3.255 4.152 ( 3.707 -0.274 1.057) 3.864 4.192 ( 3.322 2.128 -0.871) 4.040 4.313 ( 3.831 0.014 4.851) 6.181 4.376 ( -1.884 -0.063 0.908) 2.092 4.385 ( -1.250 1.372 2.393) 3.029 4.480 ( -2.912 -2.017 -0.053) 3.543 4.557 ( 0.590 1.378 -0.811) 1.704 4.566 ( -1.166 1.263 -3.582) 3.973 4.746 ( -1.757 -1.376 0.467) 2.279 4.820 ( -3.866 0.876 -0.498) 3.995 5.327 ( 0.105 1.197 3.208) 3.426 5.385 ( 0.052 -0.920 -2.692) 2.846 5.786 ( 0.981 2.537 -0.561) 2.777 5.839 ( 0.563 -0.560 0.269) 0.838 11.163 ( -2.595 0.309 -1.203) 2.877 11.268 ( 0.384 -0.059 1.492) 1.542 14.089 ( -2.093 4.051 -5.052) 6.806 14.247 ( -9.487 8.456 7.457) 14.735 14.644 ( -2.470 -2.504 1.641) 3.881 14.907 ( -3.917 -12.918 -0.758) 13.520 16.203 ( 0.422 -0.348 1.098) 1.227 16.393 ( 4.032 0.822 -0.728) 4.179 16.893 ( -4.254 -2.700 1.889) 5.381 17.240 ( 4.824 -0.060 -5.158) 7.063 17.535 ( 15.426 12.485 1.018) 19.872 17.867 ( 10.059 -5.468 0.163) 11.450 ======================= Grid point 48 (22/47) ======================= q-point: ( 0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -1.071 0.644 4.941) 5.097 0.781 ( 1.036 -4.684 -1.495) 5.025 0.834 ( 1.249 -0.459 1.217) 1.803 0.927 ( 0.650 -1.734 -1.780) 2.569 0.970 ( -0.687 -0.123 -3.706) 3.771 0.993 ( -1.309 -2.015 -0.406) 2.437 1.052 ( 5.156 2.075 -0.958) 5.640 1.079 ( 0.429 0.065 -5.878) 5.894 1.160 ( 1.364 0.997 0.266) 1.710 1.205 ( 0.122 3.035 0.884) 3.163 1.292 ( 3.403 6.149 -0.622) 7.055 1.311 ( 7.044 -2.119 -2.858) 7.892 1.395 ( 0.098 0.765 -1.948) 2.095 1.448 ( -3.855 3.532 4.083) 6.633 1.532 ( 1.724 0.370 -1.035) 2.044 1.551 ( 0.245 -1.731 4.926) 5.227 1.623 ( -0.176 -1.456 2.141) 2.595 1.667 ( 1.086 2.472 1.341) 3.015 1.710 ( -2.057 1.852 0.796) 2.880 1.793 ( -1.043 -0.666 -1.668) 2.077 1.803 ( 0.537 -1.046 1.251) 1.717 1.878 ( 0.126 0.434 1.604) 1.667 1.909 ( -0.955 2.019 1.229) 2.549 1.937 ( -0.879 -0.975 -1.462) 1.965 1.968 ( -0.404 0.446 3.607) 3.657 2.040 ( -1.231 -2.116 0.594) 2.519 2.050 ( 1.140 2.138 0.066) 2.424 2.112 ( 1.494 1.439 0.535) 2.142 2.160 ( -1.427 -5.311 0.099) 5.500 2.212 ( 0.987 -2.601 1.288) 3.066 2.285 ( 0.794 4.749 4.502) 6.592 2.340 ( 0.002 -3.904 -0.594) 3.949 2.349 ( -1.739 -0.313 1.760) 2.494 2.438 ( -1.227 0.340 -2.292) 2.622 2.453 ( 1.123 -3.657 -3.012) 4.869 2.525 ( -1.126 -4.476 -0.888) 4.700 2.555 ( -2.762 -4.052 -2.319) 5.425 2.601 ( -0.581 -1.348 0.753) 1.650 2.631 ( -0.438 -1.959 0.518) 2.073 2.636 ( -1.342 -4.055 -2.700) 5.053 2.704 ( 0.134 -1.810 0.257) 1.833 2.742 ( 1.470 -3.644 -0.794) 4.008 2.792 ( -0.058 -0.343 -1.052) 1.108 2.815 ( 2.673 -2.510 -2.028) 4.191 2.857 ( -1.076 -1.024 0.282) 1.513 2.867 ( 0.173 2.008 -1.453) 2.485 2.927 ( 1.425 3.691 -0.910) 4.060 2.987 ( 2.298 -0.169 -1.389) 2.690 3.043 ( -0.405 2.833 0.289) 2.877 3.059 ( -0.570 2.878 0.816) 3.046 3.095 ( 1.119 2.238 -1.286) 2.814 3.101 ( 0.844 3.092 3.549) 4.782 3.167 ( -0.066 0.342 0.404) 0.534 3.188 ( 0.573 -0.965 -2.183) 2.455 3.237 ( 3.879 -2.574 1.656) 4.941 3.261 ( 0.523 -1.309 1.567) 2.108 3.267 ( 0.970 1.090 -3.255) 3.567 3.298 ( 0.007 0.683 0.040) 0.684 3.306 ( -0.880 0.371 1.648) 1.905 3.328 ( -3.264 -0.700 2.239) 4.020 3.363 ( -0.306 4.257 -0.803) 4.343 3.392 ( -1.767 -0.137 -0.926) 2.000 3.422 ( 0.308 2.836 -2.358) 3.702 3.507 ( 0.631 0.027 -1.106) 1.273 3.552 ( 2.703 1.121 -0.767) 3.025 3.557 ( 0.306 0.202 1.191) 1.246 3.566 ( -1.212 2.426 -0.031) 2.712 3.634 ( -4.061 -0.691 -0.334) 4.133 3.653 ( -3.860 -2.451 -1.373) 4.774 3.695 ( -0.202 -1.274 6.512) 6.639 3.760 ( -2.305 1.533 -2.063) 3.453 3.773 ( -0.233 1.067 1.036) 1.505 3.778 ( -1.163 -0.765 -1.811) 2.284 3.814 ( -1.381 -0.282 2.873) 3.200 3.894 ( 1.465 -0.020 2.402) 2.814 3.908 ( 0.497 0.197 1.656) 1.740 3.949 ( 1.436 -0.178 -0.311) 1.480 3.962 ( 0.780 -1.321 0.864) 1.761 4.019 ( 1.081 -1.600 -1.805) 2.643 4.045 ( 0.822 -0.030 -3.644) 3.736 4.105 ( 1.106 1.319 1.423) 2.233 4.155 ( -0.330 0.999 -1.700) 1.999 4.172 ( 1.141 0.168 -2.443) 2.701 4.198 ( 0.747 -0.350 0.018) 0.825 4.307 ( -4.134 0.041 1.714) 4.475 4.370 ( 0.502 0.359 0.640) 0.889 4.391 ( 0.907 0.911 1.828) 2.235 4.464 ( -3.251 -0.861 -0.713) 3.438 4.525 ( -0.403 0.408 0.676) 0.886 4.569 ( 3.316 0.224 0.374) 3.345 4.723 ( -3.339 0.566 -3.203) 4.661 4.792 ( -1.750 -1.692 2.411) 3.426 5.330 ( 1.535 0.588 0.208) 1.657 5.391 ( -0.498 -0.750 -0.680) 1.129 5.759 ( 1.358 2.108 -0.287) 2.524 5.840 ( -0.845 0.291 0.028) 0.894 11.143 ( -0.915 -0.748 -0.503) 1.284 11.279 ( 0.189 -0.296 0.635) 0.725 13.951 ( -2.261 6.828 -7.424) 10.337 14.152 ( 0.563 -0.403 2.235) 2.340 14.695 ( -1.866 -5.347 4.523) 7.247 15.017 ( -1.803 -6.089 -0.431) 6.365 16.226 ( 1.296 -0.587 1.798) 2.293 16.414 ( 3.016 1.318 -1.531) 3.630 16.895 ( -4.824 -2.846 3.371) 6.537 17.239 ( 1.407 2.333 -7.479) 7.960 17.518 ( 9.923 10.165 3.761) 14.695 17.950 ( -0.485 1.544 1.373) 2.122 ======================= Grid point 49 (23/47) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -2.416 1.019 5.537) 6.127 0.787 ( -0.525 6.742 1.519) 6.931 0.834 ( -1.189 6.598 0.697) 6.741 0.886 ( 0.788 4.258 -3.697) 5.694 0.960 ( 0.309 -0.416 -0.707) 0.877 0.971 ( 0.676 -0.892 -1.226) 1.660 1.008 ( 0.804 1.344 -0.886) 1.799 1.125 ( 1.378 -0.998 -0.817) 1.887 1.156 ( -0.172 0.443 2.109) 2.161 1.190 ( -2.309 -0.891 -0.985) 2.664 1.246 ( 0.931 0.239 -5.087) 5.177 1.330 ( 1.685 2.969 -4.167) 5.387 1.362 ( 3.053 5.190 3.127) 6.785 1.446 ( 1.378 -0.610 -3.492) 3.804 1.535 ( 0.506 0.074 1.846) 1.915 1.565 ( -0.488 5.956 6.163) 8.584 1.626 ( -2.143 -3.907 2.242) 4.989 1.688 ( 1.653 -1.548 -0.399) 2.300 1.716 ( -1.356 -1.790 2.240) 3.172 1.756 ( -0.138 1.086 -1.952) 2.238 1.831 ( 2.394 1.214 -0.736) 2.783 1.868 ( -1.214 4.074 4.591) 6.256 1.874 ( 0.051 -0.373 2.010) 2.045 1.949 ( 0.465 -0.731 -1.653) 1.866 1.972 ( -1.141 -0.138 2.594) 2.838 2.009 ( -1.594 2.075 -0.091) 2.618 2.037 ( -2.557 -0.180 2.107) 3.318 2.124 ( -0.958 -0.766 -0.360) 1.278 2.160 ( -1.056 2.500 5.031) 5.716 2.200 ( -1.526 2.149 0.633) 2.711 2.246 ( 1.389 -0.202 -1.931) 2.388 2.333 ( -3.993 -1.477 2.365) 4.871 2.364 ( -1.571 -2.757 -1.741) 3.620 2.439 ( 0.722 0.767 -2.949) 3.132 2.495 ( 0.651 1.801 -5.021) 5.374 2.528 ( -1.099 -3.302 1.916) 3.972 2.577 ( 0.012 1.743 0.889) 1.957 2.604 ( -0.696 1.174 -2.997) 3.293 2.672 ( 1.292 -1.787 0.150) 2.211 2.693 ( -2.203 -7.109 1.622) 7.618 2.747 ( 1.364 -0.905 -1.128) 1.988 2.761 ( -0.473 0.406 -1.361) 1.497 2.800 ( -0.068 2.668 0.675) 2.753 2.835 ( 2.958 -3.066 -4.029) 5.863 2.867 ( 1.215 -3.229 -2.684) 4.372 2.900 ( 1.895 -1.138 -1.123) 2.479 2.917 ( -0.701 0.215 -1.076) 1.302 2.934 ( -1.454 2.050 -0.980) 2.697 2.986 ( 0.213 2.475 -1.329) 2.817 3.008 ( -1.959 2.855 0.867) 3.570 3.061 ( 2.629 3.860 -0.640) 4.714 3.112 ( 0.184 0.148 2.756) 2.766 3.165 ( -0.418 -0.052 -0.647) 0.772 3.227 ( 0.831 1.332 -0.432) 1.628 3.239 ( 2.015 -1.434 -1.024) 2.677 3.264 ( -0.865 -1.376 1.301) 2.082 3.274 ( -1.302 1.357 -1.491) 2.400 3.281 ( -0.279 -0.637 -0.756) 1.028 3.318 ( 0.708 0.493 1.554) 1.778 3.329 ( -2.068 -0.771 0.553) 2.276 3.338 ( -0.446 -2.157 0.002) 2.202 3.385 ( 0.888 -0.489 0.608) 1.183 3.443 ( 1.693 -3.373 -0.213) 3.780 3.520 ( 2.102 0.873 -2.758) 3.576 3.557 ( 2.532 -1.222 1.215) 3.063 3.595 ( -0.171 -3.520 0.771) 3.607 3.606 ( 4.053 -0.991 1.760) 4.528 3.622 ( -0.855 -0.955 3.183) 3.432 3.644 ( -2.536 -2.045 -1.541) 3.604 3.715 ( -2.103 -1.280 3.579) 4.344 3.733 ( -0.110 -1.404 1.385) 1.976 3.759 ( 0.234 1.356 -0.447) 1.447 3.795 ( -1.083 -1.708 0.357) 2.054 3.839 ( 2.007 -2.802 1.084) 3.613 3.881 ( -1.351 3.274 -1.515) 3.853 3.922 ( 2.591 0.024 1.443) 2.966 3.959 ( -0.686 -0.499 -0.418) 0.946 3.980 ( 0.802 -0.447 1.476) 1.738 4.018 ( 2.180 3.281 0.341) 3.954 4.023 ( 1.268 3.381 -2.145) 4.200 4.100 ( -1.034 1.418 -0.653) 1.872 4.148 ( -2.481 0.159 -3.579) 4.358 4.167 ( -2.238 -2.309 -4.500) 5.531 4.175 ( -0.108 -0.773 1.592) 1.773 4.282 ( -3.598 -1.425 -0.712) 3.935 4.381 ( 3.297 0.957 0.958) 3.564 4.416 ( 1.060 -0.696 1.669) 2.096 4.421 ( -1.240 0.035 1.605) 2.028 4.544 ( 1.181 -0.623 3.083) 3.359 4.610 ( 2.151 0.031 1.045) 2.391 4.664 ( -2.671 0.645 -1.716) 3.240 4.814 ( -1.024 -2.406 -0.189) 2.622 5.330 ( 0.559 1.799 0.528) 1.957 5.402 ( -0.463 -2.332 -1.076) 2.610 5.756 ( 2.106 0.835 -0.233) 2.278 5.813 ( -2.254 0.585 -0.011) 2.329 11.158 ( 0.485 -1.465 0.272) 1.567 11.280 ( -0.823 -0.361 -1.213) 1.510 13.837 ( 1.743 5.339 2.455) 6.129 14.228 ( 3.184 -6.389 -6.826) 9.877 14.783 ( -2.616 -5.476 8.379) 10.346 15.072 ( 2.203 -3.528 -4.149) 5.875 16.262 ( 1.922 -0.493 2.312) 3.047 16.413 ( 2.404 2.073 -2.031) 3.769 16.883 ( -5.919 -2.076 4.103) 7.495 17.157 ( -0.343 4.610 -8.541) 9.712 17.472 ( 4.790 9.688 5.921) 12.323 17.842 ( -7.929 5.401 -0.930) 9.639 ======================= Grid point 50 (24/47) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( -1.101 11.136 4.969) 12.244 0.623 ( 0.050 12.098 9.000) 15.078 0.728 ( 1.137 2.805 1.918) 3.583 0.865 ( -0.286 1.610 -1.051) 1.944 0.941 ( -0.726 1.114 0.652) 1.480 0.986 ( 1.562 2.448 1.556) 3.295 0.996 ( 1.396 2.210 0.839) 2.746 1.110 ( 0.212 2.719 -4.062) 4.893 1.130 ( -0.319 2.166 2.769) 3.530 1.170 ( 0.217 2.628 -3.215) 4.159 1.232 ( 0.574 0.949 -3.395) 3.572 1.330 ( -0.570 1.409 2.099) 2.592 1.354 ( 2.670 -2.928 -4.497) 5.994 1.402 ( -0.114 2.374 -4.607) 5.184 1.465 ( 1.233 8.090 0.351) 8.191 1.552 ( -1.966 -2.069 6.716) 7.297 1.646 ( -0.225 2.708 2.286) 3.551 1.693 ( -0.448 -2.049 2.667) 3.393 1.746 ( 0.845 -1.711 0.092) 1.910 1.764 ( -1.946 -1.370 0.494) 2.431 1.822 ( 1.147 1.477 0.175) 1.878 1.845 ( 1.070 -1.557 1.332) 2.311 1.915 ( 1.023 -1.307 -0.528) 1.741 1.932 ( -1.871 1.779 1.024) 2.777 1.949 ( 0.621 1.895 1.339) 2.402 1.982 ( -0.915 -0.912 -1.198) 1.762 2.037 ( -0.943 -1.205 2.136) 2.627 2.090 ( -3.143 -0.020 1.169) 3.353 2.136 ( -0.624 0.214 -1.767) 1.887 2.210 ( -1.886 -1.585 -0.991) 2.655 2.263 ( 1.908 1.155 -1.822) 2.880 2.329 ( -0.950 -0.640 1.054) 1.556 2.347 ( -0.150 1.469 -0.808) 1.684 2.398 ( 1.347 3.737 -3.499) 5.293 2.453 ( 1.377 -2.118 -1.331) 2.856 2.536 ( -0.459 1.217 1.086) 1.694 2.563 ( 0.011 1.557 0.020) 1.557 2.589 ( -0.521 2.174 2.986) 3.730 2.668 ( 2.161 5.784 -0.007) 6.175 2.703 ( 0.078 3.118 -0.964) 3.265 2.748 ( -1.149 -1.979 -0.125) 2.292 2.757 ( -2.437 1.894 -3.461) 4.638 2.794 ( 2.101 0.548 -1.046) 2.410 2.814 ( 0.730 0.029 -3.405) 3.483 2.873 ( -2.657 3.739 0.074) 4.587 2.915 ( 1.223 0.549 0.968) 1.653 2.938 ( -2.349 -1.166 -0.739) 2.725 2.946 ( 1.187 -3.159 -1.268) 3.605 2.991 ( 2.934 -6.618 -3.094) 7.873 3.021 ( 0.425 -3.307 -2.311) 4.057 3.044 ( 1.136 2.153 0.602) 2.508 3.090 ( 2.605 3.849 1.071) 4.770 3.157 ( -0.895 -0.690 -0.365) 1.187 3.205 ( -3.201 -0.733 1.943) 3.815 3.241 ( -1.478 -0.058 -2.006) 2.492 3.269 ( -0.307 -1.556 0.136) 1.592 3.282 ( -0.394 -1.189 -0.003) 1.253 3.305 ( -1.210 -1.891 -0.464) 2.292 3.323 ( 0.718 -0.688 -1.680) 1.952 3.357 ( -1.212 -5.793 -0.524) 5.941 3.387 ( 2.008 -1.893 0.999) 2.935 3.413 ( -0.258 -1.365 1.102) 1.773 3.483 ( -0.352 0.488 1.695) 1.798 3.501 ( -1.304 -0.177 0.691) 1.487 3.593 ( -3.292 -1.241 0.860) 3.622 3.617 ( -0.130 -0.749 3.930) 4.002 3.642 ( 0.062 -0.676 0.037) 0.680 3.673 ( -1.150 -2.787 4.122) 5.107 3.695 ( -0.856 3.134 0.027) 3.249 3.707 ( 3.079 -2.467 1.612) 4.262 3.754 ( 0.942 -0.818 1.800) 2.190 3.783 ( 2.639 -2.698 -1.312) 3.995 3.805 ( -1.182 -1.629 1.320) 2.407 3.828 ( 1.187 2.163 0.474) 2.513 3.894 ( -0.079 -1.168 -0.769) 1.400 3.955 ( 1.946 1.657 -0.314) 2.575 3.966 ( -0.105 0.289 0.502) 0.588 3.994 ( 2.270 0.669 0.391) 2.398 4.005 ( -0.110 -2.234 -1.621) 2.763 4.013 ( 0.391 1.049 0.367) 1.178 4.042 ( 1.584 2.023 0.279) 2.584 4.101 ( -1.397 0.093 -3.706) 3.961 4.121 ( -0.391 0.870 -7.875) 7.932 4.209 ( -2.808 -1.382 1.488) 3.465 4.272 ( -4.072 -3.029 0.234) 5.081 4.370 ( -0.522 -0.934 -4.545) 4.669 4.400 ( 0.298 0.705 3.516) 3.598 4.517 ( 4.318 -0.274 1.833) 4.699 4.582 ( 0.269 -1.039 2.020) 2.287 4.614 ( 1.027 1.193 -0.932) 1.830 4.652 ( 0.583 -1.374 5.964) 6.148 4.841 ( 0.363 -2.438 -2.294) 3.367 5.304 ( -0.648 1.377 3.230) 3.570 5.437 ( -0.493 -3.003 -2.874) 4.186 5.770 ( 0.693 0.647 0.395) 1.027 5.786 ( -0.588 -0.677 -0.350) 0.962 11.198 ( 1.167 -2.044 0.892) 2.517 11.263 ( -1.661 -0.439 -2.515) 3.046 13.866 ( 4.235 -1.616 13.465) 14.207 14.344 ( 3.842 -6.782 -12.039) 14.342 14.802 ( -11.059 -1.818 11.833) 16.298 15.221 ( 10.205 -9.432 -10.610) 17.484 16.294 ( 0.852 -0.231 2.407) 2.564 16.384 ( -0.213 3.872 -2.184) 4.450 16.858 ( -4.311 -1.718 4.051) 6.161 17.056 ( 1.160 4.918 -6.783) 8.458 17.356 ( -2.070 10.949 7.721) 13.557 17.620 ( -3.818 10.229 -6.307) 12.609 ======================= Grid point 53 (25/47) ======================= q-point: ( 0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( -2.821 -0.000 1.915) 3.410 0.679 ( 1.694 0.000 2.798) 3.271 0.812 ( -2.182 -0.000 0.584) 2.258 0.890 ( 0.422 0.000 -2.562) 2.597 0.936 ( 3.845 0.000 4.322) 5.785 0.941 ( -0.336 -0.000 5.022) 5.033 1.056 ( 3.853 0.000 -9.925) 10.647 1.125 ( 5.843 0.000 -0.561) 5.870 1.172 ( 3.986 0.000 -6.196) 7.368 1.194 ( 7.899 0.000 -0.922) 7.953 1.341 ( 5.113 0.000 0.430) 5.132 1.414 ( 2.341 0.000 3.734) 4.407 1.467 ( 4.855 0.000 -0.304) 4.864 1.473 ( -0.877 -0.000 4.970) 5.047 1.488 ( -3.663 -0.000 2.160) 4.252 1.594 ( -1.439 -0.000 1.752) 2.267 1.622 ( 4.331 0.000 0.128) 4.333 1.658 ( -0.021 -0.000 -0.394) 0.395 1.746 ( -3.080 -0.000 -1.005) 3.240 1.786 ( -5.191 -0.000 -1.212) 5.330 1.809 ( 1.269 0.000 -4.995) 5.154 1.860 ( 1.475 0.000 6.567) 6.731 1.875 ( 0.197 0.000 -1.962) 1.972 1.917 ( -2.301 -0.000 -3.396) 4.102 1.980 ( -2.305 -0.000 0.288) 2.323 2.022 ( -2.207 -0.000 5.412) 5.845 2.099 ( -0.318 -0.000 -1.010) 1.059 2.115 ( 5.275 0.000 -0.831) 5.340 2.131 ( -1.294 -0.000 1.197) 1.763 2.146 ( 1.543 0.000 1.172) 1.938 2.275 ( 2.166 0.000 -3.027) 3.722 2.306 ( -0.738 -0.000 0.025) 0.738 2.326 ( -0.081 -0.000 -2.980) 2.981 2.371 ( -2.743 -0.000 3.221) 4.231 2.376 ( -2.094 -0.000 -0.139) 2.098 2.464 ( -2.256 -0.000 1.723) 2.839 2.537 ( 3.588 0.000 -0.821) 3.681 2.538 ( 1.018 0.000 -2.753) 2.936 2.608 ( -1.766 -0.000 3.777) 4.169 2.610 ( 0.382 0.000 0.513) 0.639 2.650 ( -1.309 -0.000 3.863) 4.079 2.696 ( 1.440 0.000 3.643) 3.917 2.713 ( 1.408 0.000 -1.917) 2.378 2.762 ( 2.380 0.000 -7.853) 8.206 2.900 ( 0.445 0.000 1.152) 1.235 2.931 ( 1.894 0.000 -1.310) 2.303 2.950 ( 3.972 0.000 -3.072) 5.021 2.963 ( 4.640 0.000 -0.721) 4.695 3.020 ( 0.605 0.000 1.357) 1.486 3.105 ( -1.270 -0.000 -1.019) 1.629 3.122 ( 2.579 0.000 -2.029) 3.282 3.138 ( -3.590 -0.000 -0.273) 3.600 3.154 ( -2.097 -0.000 -0.504) 2.156 3.174 ( 0.962 0.000 3.895) 4.012 3.239 ( -1.811 -0.000 2.045) 2.732 3.243 ( 1.526 0.000 -4.108) 4.382 3.271 ( -1.554 -0.000 -1.778) 2.362 3.325 ( 0.900 0.000 0.442) 1.003 3.360 ( -2.459 -0.000 -1.691) 2.985 3.366 ( -1.285 -0.000 0.001) 1.285 3.425 ( -3.375 -0.000 -0.514) 3.414 3.450 ( -1.020 -0.000 -0.286) 1.059 3.469 ( 0.290 0.000 0.732) 0.787 3.489 ( -0.123 -0.000 1.000) 1.008 3.537 ( 0.146 0.000 2.682) 2.686 3.548 ( -2.545 -0.000 -0.364) 2.571 3.618 ( -2.901 -0.000 1.422) 3.231 3.643 ( 0.171 0.000 3.868) 3.872 3.674 ( -0.830 -0.000 -0.864) 1.198 3.723 ( -4.155 -0.000 2.502) 4.850 3.749 ( -5.310 -0.000 -1.083) 5.420 3.753 ( -0.671 -0.000 -0.423) 0.793 3.798 ( -0.559 -0.000 -4.163) 4.201 3.856 ( -0.205 -0.000 4.298) 4.303 3.885 ( 2.727 0.000 4.359) 5.142 3.908 ( -3.173 -0.000 -6.902) 7.596 3.953 ( 0.198 0.000 -1.690) 1.702 3.958 ( 1.814 0.000 3.058) 3.555 3.979 ( 0.848 0.000 -2.312) 2.462 3.984 ( -0.864 -0.000 2.229) 2.390 4.082 ( -1.162 -0.000 -0.638) 1.326 4.103 ( 0.429 0.000 -1.193) 1.267 4.198 ( 1.950 0.000 1.943) 2.753 4.255 ( 3.612 0.000 -0.773) 3.693 4.338 ( -4.080 -0.000 0.441) 4.104 4.367 ( 2.687 0.000 2.517) 3.682 4.409 ( 1.355 0.000 0.109) 1.360 4.428 ( -2.579 -0.000 2.323) 3.471 4.565 ( -0.489 -0.000 0.611) 0.783 4.577 ( 1.667 0.000 -2.914) 3.357 4.698 ( -2.665 -0.000 -1.890) 3.268 4.774 ( -3.942 -0.000 -1.611) 4.259 5.352 ( 0.001 0.000 3.336) 3.336 5.376 ( 1.724 0.000 -3.140) 3.582 5.826 ( -0.907 -0.000 1.341) 1.619 5.827 ( 1.579 0.000 -2.004) 2.552 11.133 ( -1.882 -0.000 -0.253) 1.898 11.273 ( -0.019 -0.000 0.603) 0.603 14.076 ( -0.910 -0.000 -8.453) 8.502 14.224 ( -12.574 -0.000 14.894) 19.492 14.565 ( -4.592 -0.000 2.600) 5.277 14.834 ( 7.894 0.000 -7.571) 10.938 16.213 ( 0.385 0.000 3.123) 3.147 16.447 ( 3.849 0.000 -1.748) 4.227 16.837 ( -3.215 -0.000 4.071) 5.187 17.275 ( 4.768 0.000 -9.091) 10.266 17.809 ( -0.461 -0.000 17.084) 17.090 17.911 ( 15.099 0.000 -12.955) 19.895 ======================= Grid point 54 (26/47) ======================= q-point: ( 0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( -2.580 -1.460 4.090) 5.051 0.736 ( 2.536 -2.566 2.208) 4.230 0.828 ( -3.560 -5.746 1.384) 6.900 0.896 ( 0.659 -1.525 -3.278) 3.675 0.903 ( 0.653 3.187 3.638) 4.880 1.015 ( -0.035 -0.635 0.710) 0.953 1.069 ( 6.214 0.415 -5.434) 8.265 1.152 ( 2.658 1.392 1.513) 3.360 1.227 ( 5.755 0.946 -1.811) 6.107 1.271 ( -0.087 4.988 1.304) 5.156 1.318 ( 1.526 1.046 -2.473) 3.089 1.405 ( 3.566 3.408 -2.684) 5.616 1.472 ( -1.192 5.891 1.929) 6.312 1.490 ( 2.405 -2.192 3.050) 4.460 1.530 ( 2.800 -0.509 2.656) 3.892 1.568 ( -1.952 1.696 -1.575) 3.028 1.606 ( -2.471 -3.340 0.837) 4.238 1.640 ( 0.855 2.606 2.074) 3.438 1.733 ( -1.756 -4.428 -1.391) 4.962 1.768 ( -2.008 -0.175 1.925) 2.787 1.832 ( 1.162 3.920 0.115) 4.090 1.848 ( -1.049 -3.480 -3.216) 4.853 1.867 ( -3.371 -0.622 -2.215) 4.081 1.948 ( -0.920 1.071 -0.491) 1.495 1.965 ( 0.508 -4.718 2.828) 5.524 1.992 ( -1.373 1.151 3.986) 4.370 2.066 ( -0.791 1.487 0.990) 1.953 2.102 ( -1.843 0.137 0.744) 1.992 2.156 ( -0.770 -0.813 -4.011) 4.164 2.167 ( 3.711 0.566 -3.318) 5.010 2.290 ( 0.964 -0.442 -2.068) 2.324 2.343 ( 0.115 -2.058 2.171) 2.994 2.343 ( -0.223 -2.694 -1.322) 3.009 2.386 ( 0.875 -2.809 3.854) 4.848 2.419 ( 0.182 -6.358 -1.337) 6.500 2.446 ( -2.012 0.262 -0.153) 2.035 2.523 ( -1.309 -1.036 3.017) 3.448 2.557 ( 2.107 2.559 -2.125) 3.938 2.589 ( -0.461 -0.886 1.499) 1.801 2.633 ( 0.518 0.498 0.050) 0.720 2.667 ( -1.085 -1.936 3.143) 3.848 2.724 ( 1.317 -0.459 -1.752) 2.240 2.756 ( -0.314 -3.515 1.881) 3.998 2.787 ( 2.342 -1.724 -5.260) 6.011 2.893 ( 0.464 0.829 -0.561) 1.103 2.907 ( -0.683 3.127 2.299) 3.940 2.977 ( 2.343 3.387 -4.294) 5.950 2.987 ( 1.768 -1.107 -0.170) 2.093 3.054 ( -3.874 0.224 -1.402) 4.126 3.075 ( 2.479 0.371 0.185) 2.513 3.118 ( 0.745 -0.273 -1.859) 2.022 3.137 ( -0.835 -1.421 0.199) 1.660 3.165 ( 3.040 -1.337 -0.670) 3.388 3.194 ( 1.020 1.574 1.720) 2.545 3.226 ( 1.269 -1.542 -2.866) 3.493 3.259 ( -0.951 -1.473 1.039) 2.038 3.271 ( 0.627 -1.063 -0.126) 1.241 3.304 ( -0.665 2.149 1.691) 2.814 3.308 ( -0.474 2.008 -2.292) 3.084 3.342 ( -0.716 2.383 1.101) 2.721 3.385 ( -0.441 1.310 -1.814) 2.281 3.427 ( -0.358 2.621 -1.739) 3.166 3.456 ( -1.437 0.286 0.863) 1.701 3.486 ( -0.167 -0.819 -0.688) 1.082 3.516 ( -1.823 -1.556 3.176) 3.979 3.570 ( -0.403 -0.538 0.476) 0.824 3.586 ( -2.597 1.015 1.816) 3.328 3.616 ( -2.038 2.915 -3.100) 4.718 3.639 ( -0.778 3.995 2.043) 4.554 3.673 ( -2.205 -0.940 1.966) 3.100 3.730 ( -2.054 -1.934 2.138) 3.540 3.746 ( 0.090 -0.952 0.933) 1.336 3.775 ( 0.095 0.244 -1.398) 1.422 3.854 ( -0.310 1.646 -1.835) 2.485 3.872 ( -1.325 -2.160 -0.326) 2.555 3.925 ( 0.233 -0.007 1.892) 1.906 3.950 ( 0.243 -1.226 0.416) 1.318 3.964 ( 3.064 1.886 1.858) 4.050 4.011 ( 1.552 -2.308 1.771) 3.298 4.031 ( 1.592 -1.114 -0.045) 1.944 4.099 ( -1.665 -1.815 -1.189) 2.735 4.124 ( 0.464 -4.256 -1.531) 4.547 4.188 ( -0.668 2.612 0.306) 2.713 4.253 ( 1.923 4.070 0.210) 4.506 4.274 ( -4.060 1.327 -0.909) 4.367 4.407 ( 2.304 -0.068 1.416) 2.705 4.416 ( -1.064 -0.125 3.143) 3.321 4.440 ( 1.102 -0.009 0.761) 1.339 4.527 ( -0.634 1.288 0.830) 1.658 4.608 ( 2.567 -0.688 -1.330) 2.972 4.663 ( -2.833 0.037 -3.912) 4.831 4.738 ( -2.843 -1.725 -0.878) 3.439 5.357 ( 0.253 0.279 1.437) 1.486 5.386 ( 1.248 0.539 -1.643) 2.132 5.803 ( 0.103 1.516 0.344) 1.558 5.834 ( -0.104 0.425 -1.004) 1.095 11.126 ( -0.036 -0.536 0.941) 1.083 11.269 ( -0.888 -0.237 -0.982) 1.345 14.023 ( 2.648 4.610 -4.017) 6.663 14.129 ( -6.931 0.052 4.903) 8.490 14.589 ( -2.639 -5.604 5.877) 8.538 14.920 ( 3.107 -4.555 -7.125) 9.010 16.238 ( 0.579 -0.747 4.470) 4.569 16.465 ( 2.378 1.192 -2.902) 3.937 16.834 ( -2.616 -1.061 5.943) 6.580 17.269 ( 2.994 2.140 -11.783) 12.344 17.766 ( -0.877 7.363 11.652) 13.811 18.002 ( 6.024 3.108 -5.603) 8.794 ======================= Grid point 55 (27/47) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -2.150 0.595 5.694) 6.115 0.814 ( 1.203 -3.849 -0.792) 4.109 0.861 ( -2.257 -0.415 1.070) 2.532 0.905 ( 0.206 -2.666 1.971) 3.321 0.954 ( 2.529 -3.353 -3.105) 5.223 1.000 ( 1.613 0.715 -2.228) 2.842 1.091 ( 1.652 11.367 1.500) 11.584 1.137 ( 3.270 0.134 0.866) 3.385 1.161 ( -2.179 3.057 -1.394) 4.005 1.197 ( 0.077 4.122 0.525) 4.156 1.313 ( 0.679 3.279 0.289) 3.361 1.362 ( 1.559 3.123 -0.167) 3.494 1.453 ( 4.676 -0.017 -4.123) 6.234 1.483 ( -7.400 0.289 -3.625) 8.245 1.530 ( 3.171 3.892 2.502) 5.609 1.549 ( -2.281 -2.473 2.902) 4.443 1.652 ( -2.667 0.129 2.245) 3.488 1.679 ( 2.344 -0.349 2.932) 3.770 1.709 ( 1.552 1.028 0.746) 2.006 1.753 ( 0.786 -0.687 -2.655) 2.853 1.807 ( -3.279 -2.330 -0.270) 4.031 1.872 ( -0.531 -1.107 3.453) 3.665 1.889 ( -2.033 -4.283 -1.766) 5.060 1.937 ( 0.890 0.852 1.907) 2.270 1.977 ( 0.048 1.254 2.474) 2.774 1.994 ( -1.657 -0.313 0.336) 1.720 2.047 ( -0.112 1.038 0.973) 1.427 2.096 ( -0.923 0.031 -0.756) 1.193 2.126 ( -3.450 -1.548 -3.036) 4.849 2.194 ( -0.409 -0.572 -3.055) 3.135 2.250 ( -1.674 1.198 -0.513) 2.122 2.341 ( -1.085 0.561 2.872) 3.122 2.400 ( 4.483 0.447 0.943) 4.603 2.448 ( 0.802 -2.356 1.794) 3.068 2.460 ( 2.684 1.442 -1.584) 3.434 2.511 ( 0.125 -0.261 0.668) 0.728 2.546 ( 0.839 -6.280 -1.430) 6.495 2.557 ( -1.898 -3.117 1.524) 3.955 2.623 ( 2.185 -2.060 0.361) 3.025 2.644 ( 0.686 -2.128 0.775) 2.366 2.696 ( -1.013 -3.514 -0.617) 3.709 2.745 ( 0.051 -0.779 -0.367) 0.863 2.798 ( 1.089 -2.216 -1.508) 2.893 2.816 ( -0.374 -1.035 -2.646) 2.866 2.871 ( -0.341 -1.350 1.417) 1.987 2.879 ( -0.259 2.480 -0.646) 2.576 2.934 ( 1.359 1.783 -2.228) 3.161 2.969 ( -1.792 4.181 -1.612) 4.826 3.009 ( 0.460 2.204 -0.329) 2.275 3.091 ( 0.269 -0.844 1.067) 1.386 3.101 ( 1.224 4.458 -1.532) 4.870 3.129 ( -2.114 0.419 0.512) 2.215 3.191 ( 2.498 1.320 1.059) 3.017 3.216 ( -2.434 0.928 -4.671) 5.348 3.234 ( -0.499 -1.364 -2.240) 2.670 3.248 ( 0.076 -0.309 0.634) 0.709 3.263 ( 0.817 1.387 0.666) 1.742 3.300 ( -0.089 0.393 -0.719) 0.824 3.303 ( -1.212 -0.252 0.477) 1.327 3.318 ( 0.629 1.080 -0.389) 1.309 3.358 ( 0.679 -1.264 -2.275) 2.689 3.382 ( 2.949 1.876 -1.636) 3.859 3.452 ( -2.433 1.239 2.033) 3.404 3.508 ( 0.560 -2.744 -1.099) 3.009 3.520 ( -3.499 -2.081 0.842) 4.158 3.547 ( 0.929 -1.250 2.921) 3.311 3.575 ( -1.729 -1.223 0.380) 2.152 3.605 ( 1.203 0.113 0.205) 1.225 3.644 ( 1.615 -1.996 3.635) 4.451 3.678 ( 0.431 -2.037 0.055) 2.083 3.740 ( 0.118 -0.524 -0.234) 0.586 3.760 ( -2.327 -0.603 3.166) 3.975 3.773 ( 0.854 -0.139 0.274) 0.908 3.834 ( 0.571 0.327 -0.406) 0.773 3.881 ( -2.434 0.868 -1.028) 2.781 3.923 ( -0.756 -1.936 0.576) 2.157 3.967 ( 2.424 0.407 -2.304) 3.369 3.998 ( 0.989 0.130 4.760) 4.863 4.047 ( 0.104 -0.513 -0.545) 0.755 4.079 ( -1.428 -2.177 -3.325) 4.224 4.105 ( 1.542 -1.280 2.111) 2.911 4.133 ( 1.120 3.823 0.922) 4.089 4.162 ( 0.805 1.603 0.824) 1.974 4.172 ( -0.313 4.014 -2.706) 4.851 4.236 ( -1.554 0.180 0.023) 1.564 4.370 ( -3.515 0.715 -4.241) 5.555 4.434 ( 0.692 0.242 4.265) 4.328 4.479 ( 3.972 -1.193 3.336) 5.323 4.557 ( 1.988 -0.631 4.473) 4.936 4.615 ( -2.746 -1.303 -2.157) 3.727 4.629 ( 0.998 0.706 -2.517) 2.798 4.743 ( -2.000 -3.077 -2.267) 4.313 5.363 ( -1.352 -0.852 -0.157) 1.606 5.373 ( 1.686 1.883 -0.329) 2.549 5.787 ( -0.807 0.630 0.274) 1.060 5.812 ( 0.653 1.750 -0.777) 2.023 11.153 ( 1.409 -0.983 1.875) 2.543 11.252 ( -1.616 -0.341 -2.504) 2.999 13.982 ( 5.765 6.287 1.918) 8.743 14.111 ( -3.576 -5.260 -4.403) 7.735 14.683 ( -3.193 -6.304 8.314) 10.912 14.993 ( 1.519 -5.526 -6.424) 8.609 16.273 ( -0.142 -0.909 4.543) 4.635 16.452 ( 0.860 1.274 -3.813) 4.112 16.839 ( -1.824 -0.109 6.726) 6.969 17.204 ( 2.193 3.967 -11.986) 12.815 17.657 ( -4.929 7.810 10.341) 13.865 17.931 ( 3.726 9.777 -4.164) 11.261 ======================= Grid point 56 (28/47) ======================= q-point: (-0.17 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( -0.982 1.196 5.314) 5.535 0.830 ( 1.060 3.346 2.204) 4.145 0.867 ( 1.963 5.304 1.724) 5.913 0.889 ( 2.397 6.183 -5.060) 8.341 0.937 ( -0.096 1.228 -0.777) 1.457 1.000 ( 0.848 2.264 -0.497) 2.468 1.033 ( 2.010 -1.855 -1.000) 2.913 1.123 ( -0.969 -2.487 -2.005) 3.338 1.141 ( 0.838 -0.666 -0.478) 1.172 1.205 ( 0.797 0.762 2.871) 3.075 1.229 ( 0.797 5.323 -2.546) 5.955 1.309 ( -5.490 1.173 -5.539) 7.886 1.406 ( 0.882 3.089 -2.795) 4.258 1.461 ( 2.869 3.523 -1.424) 4.761 1.508 ( -1.686 -0.353 3.881) 4.246 1.573 ( 0.288 3.068 2.810) 4.171 1.595 ( -2.282 -4.101 3.666) 5.955 1.699 ( -4.222 -1.172 3.266) 5.465 1.746 ( 2.046 1.631 1.812) 3.183 1.775 ( 0.543 -1.401 -1.074) 1.847 1.827 ( -0.339 -3.147 1.565) 3.531 1.855 ( -2.696 1.534 1.355) 3.385 1.907 ( -3.099 1.120 -1.238) 3.520 1.929 ( -0.555 -2.980 2.053) 3.661 1.967 ( 3.168 3.223 1.053) 4.640 2.000 ( 0.163 -1.179 2.477) 2.748 2.028 ( 0.102 2.231 -1.468) 2.673 2.069 ( -0.513 1.099 1.006) 1.576 2.135 ( 0.327 0.004 1.219) 1.262 2.149 ( -0.828 -1.882 1.189) 2.375 2.268 ( -1.927 -1.849 -0.386) 2.698 2.344 ( 1.146 2.835 2.418) 3.899 2.396 ( 5.035 3.732 -0.929) 6.335 2.449 ( 2.886 0.008 -2.250) 3.659 2.496 ( 0.113 3.917 -4.207) 5.749 2.529 ( 3.909 -1.693 -3.355) 5.422 2.569 ( -0.335 -0.761 3.927) 4.014 2.626 ( -1.788 -0.514 1.015) 2.119 2.663 ( 0.810 -4.042 -1.139) 4.276 2.719 ( 1.309 -3.672 -0.718) 3.963 2.734 ( -0.637 -0.167 -1.824) 1.939 2.764 ( 2.401 -0.664 0.106) 2.493 2.803 ( -0.302 1.468 -1.730) 2.289 2.821 ( -1.860 2.191 -2.654) 3.912 2.859 ( 0.574 -2.442 -1.928) 3.164 2.879 ( -1.506 -0.822 -1.465) 2.255 2.914 ( 1.281 1.293 -0.660) 1.936 2.922 ( -0.198 -3.608 0.394) 3.635 2.988 ( 1.977 5.026 -0.994) 5.491 3.024 ( 1.920 1.443 -1.961) 3.101 3.084 ( -1.091 1.882 1.614) 2.708 3.125 ( -1.438 -0.518 1.055) 1.857 3.150 ( -1.421 -1.640 -1.005) 2.392 3.194 ( -2.772 0.404 1.227) 3.058 3.210 ( -1.039 1.457 0.447) 1.844 3.248 ( -0.328 -1.186 -0.049) 1.231 3.262 ( -0.196 2.015 -0.360) 2.056 3.277 ( 0.435 0.962 -1.918) 2.189 3.307 ( -0.340 0.400 1.969) 2.037 3.326 ( 1.182 -1.828 -0.200) 2.186 3.366 ( -0.428 -1.102 -1.772) 2.130 3.421 ( 3.011 -1.780 -0.340) 3.514 3.448 ( -1.009 -2.456 0.362) 2.680 3.496 ( -3.232 0.878 -0.112) 3.351 3.525 ( -2.791 -2.091 0.902) 3.602 3.579 ( -2.923 -2.741 1.345) 4.227 3.607 ( -0.510 -1.653 2.832) 3.319 3.628 ( 0.922 -1.708 0.890) 2.136 3.722 ( 0.404 -2.618 3.481) 4.374 3.725 ( -0.725 -1.160 1.477) 2.013 3.741 ( -0.665 0.559 -0.533) 1.019 3.776 ( 1.485 -0.154 -0.296) 1.522 3.787 ( 2.966 -1.920 -0.265) 3.543 3.824 ( -1.220 -1.982 0.094) 2.329 3.852 ( 0.563 -0.408 -1.408) 1.570 3.941 ( -2.181 -0.064 0.255) 2.197 3.964 ( -2.620 0.499 0.562) 2.726 3.987 ( -1.511 0.006 0.271) 1.535 4.042 ( -1.289 0.938 -0.139) 1.600 4.058 ( 1.383 1.806 -3.869) 4.488 4.085 ( -0.349 0.933 -3.551) 3.688 4.112 ( 3.042 2.793 1.583) 4.422 4.163 ( 6.801 2.634 5.134) 8.919 4.181 ( -0.565 -0.858 -2.328) 2.544 4.202 ( -1.722 0.785 -1.274) 2.281 4.341 ( 0.591 -1.467 -1.967) 2.524 4.437 ( -0.512 1.516 3.842) 4.162 4.543 ( 0.010 -0.472 -0.691) 0.837 4.564 ( -1.694 -0.555 0.748) 1.933 4.609 ( -1.483 -0.658 -3.499) 3.857 4.670 ( 3.867 -2.217 7.271) 8.529 4.770 ( -0.848 -3.950 -2.809) 4.921 5.331 ( -1.024 1.821 0.671) 2.194 5.393 ( 0.861 -1.408 -1.204) 2.043 5.755 ( -2.057 0.464 -0.232) 2.121 5.812 ( 2.227 0.698 -0.014) 2.334 11.195 ( 1.181 -0.916 1.661) 2.234 11.229 ( -1.055 -0.382 -2.527) 2.765 13.984 ( 5.916 4.370 6.945) 10.116 14.155 ( -4.436 -9.419 -11.846) 15.771 14.727 ( -4.767 -1.472 7.657) 9.139 15.109 ( 1.718 -8.107 -3.088) 8.844 16.281 ( -2.769 -0.272 2.740) 3.905 16.412 ( -1.505 2.391 -2.565) 3.816 16.867 ( 3.945 -0.854 4.519) 6.059 17.128 ( 2.208 4.433 -8.360) 9.717 17.481 ( -6.944 8.505 5.742) 12.391 17.819 ( 7.432 10.076 -1.089) 12.568 ======================= Grid point 60 (29/47) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( -0.743 -0.000 2.586) 2.690 0.735 ( -0.835 -0.000 -1.787) 1.972 0.765 ( -0.768 -0.000 6.223) 6.270 0.877 ( -0.019 -0.000 -1.887) 1.887 0.947 ( -2.488 -0.000 4.057) 4.760 0.993 ( -0.325 -0.000 3.682) 3.697 1.159 ( 7.303 0.000 -1.451) 7.445 1.198 ( 1.656 0.000 -3.211) 3.613 1.252 ( 4.819 0.000 -0.535) 4.848 1.358 ( -5.782 -0.000 0.321) 5.791 1.366 ( 5.005 0.000 -0.026) 5.005 1.419 ( -1.320 -0.000 1.882) 2.299 1.485 ( -2.448 -0.000 4.673) 5.275 1.491 ( -2.920 -0.000 2.204) 3.658 1.525 ( 0.553 0.000 -6.392) 6.416 1.573 ( -1.318 -0.000 -1.831) 2.257 1.603 ( -2.441 -0.000 -1.441) 2.834 1.612 ( 0.184 0.000 -1.324) 1.337 1.689 ( 0.562 0.000 1.424) 1.531 1.717 ( 0.904 0.000 3.026) 3.158 1.819 ( -2.618 -0.000 -1.899) 3.234 1.843 ( 2.740 0.000 -0.206) 2.748 1.871 ( -1.109 -0.000 -2.186) 2.452 1.938 ( 0.640 0.000 3.000) 3.067 1.954 ( 1.085 0.000 1.569) 1.908 1.993 ( -1.822 -0.000 1.444) 2.325 2.079 ( 0.100 0.000 0.720) 0.727 2.096 ( -0.644 -0.000 -1.593) 1.718 2.114 ( -2.373 -0.000 -3.699) 4.395 2.222 ( 3.240 0.000 -2.526) 4.108 2.290 ( -0.317 -0.000 -2.570) 2.589 2.317 ( 1.135 0.000 -2.890) 3.105 2.322 ( -3.500 -0.000 0.340) 3.517 2.334 ( 3.275 0.000 -1.603) 3.646 2.411 ( -1.705 -0.000 1.885) 2.542 2.413 ( 2.960 0.000 4.504) 5.390 2.536 ( -2.551 -0.000 0.449) 2.590 2.551 ( -0.775 -0.000 3.663) 3.744 2.623 ( 0.229 0.000 1.575) 1.592 2.626 ( 0.100 0.000 1.975) 1.977 2.666 ( -0.467 -0.000 4.224) 4.249 2.714 ( 0.466 0.000 -5.187) 5.208 2.737 ( -1.791 -0.000 4.241) 4.604 2.790 ( 4.767 0.000 -7.915) 9.239 2.867 ( -1.819 -0.000 -3.804) 4.217 2.917 ( -2.378 -0.000 2.541) 3.480 2.974 ( 0.283 0.000 -2.232) 2.250 3.000 ( -3.996 -0.000 0.024) 3.996 3.103 ( 1.214 0.000 -0.711) 1.407 3.105 ( 3.558 0.000 -1.134) 3.734 3.111 ( -0.508 -0.000 2.413) 2.466 3.128 ( 3.786 0.000 -3.327) 5.041 3.173 ( 2.511 0.000 -1.615) 2.985 3.196 ( 1.007 0.000 -1.601) 1.891 3.218 ( -1.205 -0.000 1.264) 1.746 3.241 ( 1.320 0.000 2.510) 2.836 3.281 ( 1.831 0.000 -4.457) 4.819 3.309 ( 0.063 0.000 0.391) 0.396 3.321 ( -1.205 -0.000 -1.449) 1.884 3.367 ( 0.658 0.000 1.191) 1.361 3.384 ( -1.257 -0.000 0.059) 1.258 3.418 ( -1.597 -0.000 -0.599) 1.705 3.461 ( -0.335 -0.000 0.015) 0.335 3.462 ( -0.965 -0.000 1.135) 1.489 3.493 ( 0.579 0.000 -0.553) 0.801 3.558 ( -0.147 -0.000 4.518) 4.521 3.604 ( -0.200 -0.000 4.409) 4.414 3.627 ( -1.205 -0.000 -5.717) 5.842 3.628 ( -2.306 -0.000 -0.520) 2.364 3.692 ( -2.566 -0.000 4.626) 5.290 3.693 ( 2.018 0.000 3.043) 3.651 3.746 ( -0.353 -0.000 1.264) 1.312 3.784 ( 2.164 0.000 -2.302) 3.159 3.808 ( -1.831 -0.000 -2.577) 3.161 3.868 ( 0.659 0.000 0.626) 0.909 3.951 ( -2.235 -0.000 -0.872) 2.399 3.956 ( -1.074 -0.000 -0.671) 1.267 3.968 ( 2.274 0.000 3.451) 4.133 4.029 ( 1.096 0.000 -0.159) 1.107 4.057 ( 2.887 0.000 2.219) 3.641 4.061 ( 0.135 0.000 0.997) 1.006 4.088 ( 1.069 0.000 0.000) 1.069 4.202 ( -0.953 -0.000 0.679) 1.170 4.243 ( -1.926 -0.000 -2.085) 2.838 4.317 ( 1.403 0.000 1.029) 1.740 4.405 ( -3.237 -0.000 -0.966) 3.378 4.428 ( -0.085 -0.000 3.877) 3.878 4.432 ( -0.239 -0.000 1.057) 1.083 4.547 ( 1.709 0.000 1.126) 2.046 4.612 ( 2.173 0.000 -2.271) 3.143 4.655 ( -0.060 -0.000 -2.627) 2.628 4.678 ( -2.458 -0.000 -3.275) 4.095 5.354 ( -1.460 -0.000 1.115) 1.837 5.411 ( 2.185 0.000 -1.212) 2.499 5.801 ( -1.469 -0.000 0.567) 1.575 5.846 ( 1.120 0.000 -1.421) 1.810 11.137 ( 1.505 0.000 2.317) 2.763 11.246 ( -1.571 -0.000 -2.451) 2.911 14.035 ( -9.629 -0.000 3.457) 10.231 14.121 ( 7.873 0.000 0.035) 7.873 14.540 ( -1.328 -0.000 5.694) 5.847 14.890 ( 1.972 0.000 -9.439) 9.643 16.254 ( -0.063 -0.000 6.096) 6.096 16.473 ( -0.361 -0.000 -3.842) 3.859 16.838 ( -0.134 -0.000 7.498) 7.499 17.272 ( 2.133 0.000 -14.135) 14.295 17.790 ( -8.868 -0.000 11.751) 14.721 18.116 ( 8.555 0.000 -5.254) 10.040 ======================= Grid point 61 (30/47) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( -0.661 -1.002 2.970) 3.204 0.741 ( -4.264 -3.611 1.784) 5.866 0.795 ( 1.491 -1.800 -0.495) 2.389 0.905 ( 1.256 -4.155 -0.837) 4.421 0.917 ( -1.639 0.105 2.920) 3.350 1.021 ( -0.027 -1.161 1.362) 1.790 1.154 ( -1.631 2.588 -0.695) 3.137 1.191 ( 0.013 3.265 1.313) 3.519 1.261 ( -0.668 4.777 0.895) 4.905 1.291 ( -4.601 4.194 -6.220) 8.801 1.330 ( 0.158 1.950 -1.738) 2.616 1.351 ( -4.960 -1.193 -3.456) 6.162 1.433 ( 0.439 0.916 1.593) 1.889 1.505 ( -0.191 1.214 3.611) 3.814 1.528 ( -0.217 2.569 1.189) 2.839 1.540 ( -1.113 -3.067 2.229) 3.951 1.636 ( 0.514 -5.995 -1.161) 6.128 1.671 ( 3.051 2.064 1.222) 3.881 1.710 ( 0.001 -2.799 -0.454) 2.836 1.749 ( 0.776 0.903 2.299) 2.589 1.786 ( -1.441 2.087 -1.706) 3.056 1.802 ( -2.399 -0.658 -2.552) 3.564 1.879 ( 1.131 0.579 2.441) 2.751 1.946 ( -0.937 -0.467 2.671) 2.869 1.990 ( 0.558 -0.747 1.262) 1.569 1.997 ( 0.731 0.015 -0.872) 1.138 2.051 ( -0.826 0.177 0.148) 0.858 2.081 ( -0.361 0.486 -2.470) 2.543 2.106 ( 2.414 -0.074 0.468) 2.460 2.184 ( -1.703 2.119 -2.086) 3.427 2.248 ( -2.199 1.768 -2.181) 3.566 2.332 ( -1.096 -1.995 1.010) 2.491 2.367 ( 2.688 -5.593 -3.369) 7.061 2.421 ( -0.655 -4.473 0.610) 4.561 2.436 ( 1.046 -3.724 1.590) 4.182 2.465 ( 2.182 -0.424 2.725) 3.516 2.515 ( -0.934 -2.141 -0.182) 2.343 2.560 ( 0.280 -1.623 1.394) 2.158 2.630 ( 1.393 1.432 -0.462) 2.051 2.641 ( 0.257 -1.183 1.706) 2.092 2.651 ( -0.926 -0.077 -0.139) 0.939 2.731 ( -1.305 -3.470 1.987) 4.206 2.763 ( -0.512 -2.580 1.828) 3.203 2.808 ( 3.355 0.964 -5.428) 6.453 2.839 ( -2.382 -0.678 -1.848) 3.090 2.902 ( -1.951 0.084 1.941) 2.754 2.953 ( -0.568 0.516 -2.118) 2.253 2.978 ( -1.346 -0.796 -2.421) 2.882 3.038 ( -0.508 3.368 1.836) 3.870 3.093 ( -1.076 1.173 1.273) 2.038 3.134 ( 2.876 1.229 -0.630) 3.191 3.167 ( -0.011 -0.760 -2.673) 2.779 3.182 ( -0.023 0.710 -2.150) 2.264 3.199 ( 0.593 0.697 -0.994) 1.351 3.232 ( 1.547 0.859 0.213) 1.782 3.259 ( 0.292 2.144 -1.375) 2.563 3.281 ( 0.056 0.046 0.171) 0.186 3.300 ( 0.570 -0.197 -0.365) 0.705 3.325 ( 2.074 0.014 -2.619) 3.341 3.331 ( -1.660 0.908 1.726) 2.561 3.364 ( 1.840 2.558 -0.936) 3.287 3.413 ( -1.219 0.237 0.795) 1.475 3.459 ( 0.866 -0.234 -0.383) 0.975 3.482 ( 0.365 3.982 -0.052) 3.999 3.497 ( 1.305 -0.494 0.751) 1.584 3.558 ( -1.333 2.076 -0.325) 2.489 3.580 ( 2.242 -0.279 0.427) 2.299 3.613 ( 0.390 -1.074 1.977) 2.283 3.634 ( 0.682 -1.161 2.156) 2.542 3.686 ( 0.164 -0.333 4.102) 4.119 3.718 ( 0.122 -0.519 -1.309) 1.413 3.746 ( -1.238 0.389 2.168) 2.527 3.799 ( 1.602 0.672 -0.717) 1.879 3.816 ( 0.351 -2.204 -0.548) 2.298 3.874 ( -1.064 1.361 -2.191) 2.791 3.901 ( -0.511 -0.884 2.395) 2.603 3.989 ( -2.798 0.474 3.047) 4.164 3.993 ( 0.106 -2.638 -2.453) 3.604 4.026 ( 2.170 -0.444 0.063) 2.215 4.061 ( -0.304 0.586 -1.632) 1.760 4.087 ( 0.144 -1.018 1.249) 1.618 4.145 ( 0.385 -2.992 -0.754) 3.109 4.194 ( 0.955 1.881 0.908) 2.296 4.223 ( 2.479 1.373 0.170) 2.839 4.300 ( -0.020 3.171 1.535) 3.523 4.336 ( -1.378 1.589 -1.047) 2.350 4.439 ( -0.849 -0.929 3.727) 3.934 4.463 ( -0.869 -2.783 1.425) 3.245 4.580 ( -0.689 1.046 -1.044) 1.630 4.611 ( 2.948 -0.994 3.121) 4.407 4.634 ( -0.864 1.575 -5.004) 5.317 4.674 ( 0.542 -2.304 -3.528) 4.249 5.336 ( -2.203 -0.309 0.412) 2.262 5.421 ( 1.922 1.471 -0.591) 2.492 5.781 ( -1.328 0.714 0.009) 1.508 5.845 ( 0.911 0.971 -0.673) 1.492 11.175 ( 2.459 -0.352 3.019) 3.910 11.219 ( -1.351 -0.240 -3.057) 3.351 13.951 ( -8.051 -2.771 -1.750) 8.693 14.193 ( 9.733 5.676 3.011) 11.662 14.591 ( -0.766 -4.854 5.730) 7.548 14.902 ( 0.176 -4.618 -7.306) 8.645 16.273 ( -1.100 -0.227 5.708) 5.818 16.440 ( -2.150 0.111 -4.203) 4.722 16.870 ( 1.466 0.404 7.732) 7.880 17.223 ( 0.952 1.604 -13.628) 13.755 17.678 ( -10.688 3.685 8.300) 14.025 18.130 ( 6.167 7.611 -2.163) 10.032 ======================= Grid point 62 (31/47) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.925 0.127 3.573) 3.693 0.782 ( -2.504 -7.690 -0.052) 8.088 0.832 ( 0.166 -1.884 -0.458) 1.946 0.936 ( 0.026 -1.413 1.583) 2.122 0.988 ( -0.336 -3.576 -1.414) 3.861 1.036 ( -0.394 3.640 -2.087) 4.214 1.062 ( -3.071 -2.510 -2.876) 4.899 1.123 ( -4.252 2.687 -4.645) 6.846 1.173 ( -3.458 7.773 -2.888) 8.984 1.180 ( 0.664 3.521 0.008) 3.583 1.223 ( 1.424 -0.358 -1.921) 2.417 1.347 ( 1.873 3.882 0.741) 4.373 1.426 ( -2.306 -0.410 -2.240) 3.241 1.494 ( -4.066 -0.091 2.500) 4.774 1.516 ( 0.072 0.986 0.493) 1.105 1.549 ( -3.359 -0.204 5.853) 6.751 1.633 ( 1.978 2.488 1.834) 3.670 1.676 ( -2.414 3.147 3.877) 5.546 1.720 ( 0.856 -3.655 -3.004) 4.808 1.779 ( 1.132 -0.399 0.384) 1.260 1.783 ( -1.584 -2.902 2.349) 4.055 1.806 ( -0.001 -2.666 0.018) 2.666 1.885 ( -0.080 1.174 -0.234) 1.200 1.922 ( -0.523 1.129 2.152) 2.486 2.003 ( 0.745 -0.764 0.896) 1.393 2.021 ( 0.565 -0.261 1.293) 1.435 2.039 ( -0.237 2.778 -1.591) 3.209 2.076 ( -0.248 -1.405 1.103) 1.803 2.134 ( -1.108 0.064 0.829) 1.385 2.163 ( 3.274 -1.033 1.529) 3.758 2.214 ( -1.909 -1.397 0.543) 2.427 2.380 ( 1.697 -1.990 0.286) 2.631 2.434 ( -1.365 -2.971 0.106) 3.271 2.481 ( -0.279 -0.806 2.141) 2.305 2.490 ( 3.330 -2.778 -1.542) 4.602 2.518 ( -1.774 -4.247 -1.679) 4.899 2.568 ( 1.100 -0.875 -3.022) 3.333 2.581 ( 1.647 -2.262 1.865) 3.363 2.644 ( 0.474 -1.431 -0.734) 1.676 2.683 ( 1.029 -2.385 -0.388) 2.626 2.703 ( 2.397 -5.535 -2.018) 6.360 2.742 ( 0.121 0.998 0.813) 1.293 2.785 ( 1.231 -0.243 -7.121) 7.231 2.823 ( 0.655 0.456 0.272) 0.843 2.845 ( 0.193 -3.623 1.088) 3.788 2.879 ( 0.315 1.574 0.313) 1.636 2.926 ( -0.748 3.283 -0.134) 3.370 2.959 ( 0.939 0.737 -1.823) 2.179 3.014 ( -2.311 -0.317 2.230) 3.227 3.063 ( -2.496 0.983 0.745) 2.784 3.090 ( -2.855 3.551 -0.471) 4.581 3.131 ( 1.526 3.791 2.077) 4.584 3.161 ( 2.207 3.860 -2.179) 4.952 3.204 ( 0.633 -0.426 -0.906) 1.184 3.218 ( 1.139 1.788 -1.392) 2.536 3.240 ( -1.581 -0.290 0.198) 1.620 3.261 ( -1.169 0.594 1.957) 2.356 3.306 ( 1.316 2.280 -0.818) 2.757 3.316 ( -0.387 -0.504 -0.070) 0.639 3.345 ( 2.774 0.035 -4.582) 5.356 3.355 ( 3.344 0.339 -0.335) 3.378 3.390 ( -3.096 -0.086 4.365) 5.352 3.423 ( 0.705 -0.033 -1.800) 1.933 3.478 ( -4.299 0.809 -0.537) 4.407 3.483 ( 0.551 0.047 0.095) 0.561 3.534 ( 1.805 1.311 1.884) 2.919 3.624 ( -0.052 -0.228 2.587) 2.597 3.640 ( 2.706 1.016 -0.307) 2.907 3.685 ( -1.089 -1.784 1.451) 2.544 3.710 ( -0.861 -1.900 1.518) 2.580 3.718 ( 0.989 -0.716 1.397) 1.855 3.764 ( 0.710 -2.292 -0.877) 2.555 3.781 ( -1.422 -2.209 -0.568) 2.688 3.831 ( 2.862 2.035 -2.855) 4.526 3.874 ( 1.159 -0.633 2.649) 2.960 3.896 ( -4.584 0.853 0.671) 4.711 3.951 ( -1.572 0.103 3.661) 3.985 3.999 ( -0.043 1.701 -0.538) 1.785 4.048 ( 0.617 -1.677 -4.563) 4.901 4.056 ( 0.893 1.608 -1.290) 2.247 4.098 ( -1.374 0.550 0.015) 1.480 4.139 ( -0.237 0.779 -0.793) 1.136 4.158 ( -1.413 -0.067 -4.025) 4.266 4.216 ( 1.944 2.819 1.244) 3.643 4.294 ( 2.086 0.116 1.772) 2.739 4.358 ( 4.834 1.047 2.672) 5.622 4.454 ( -1.149 0.181 6.480) 6.584 4.507 ( -0.917 -2.759 -0.172) 2.912 4.548 ( -2.230 1.189 -4.954) 5.562 4.552 ( -2.441 0.177 -2.470) 3.477 4.695 ( 0.176 -2.906 0.327) 2.930 4.714 ( 3.749 -2.107 1.365) 4.512 5.322 ( -1.622 -0.750 0.079) 1.789 5.413 ( 1.747 1.697 -0.504) 2.488 5.748 ( -1.199 1.260 -0.270) 1.760 5.841 ( 0.748 0.591 0.008) 0.954 11.190 ( -0.710 0.155 -1.979) 2.108 11.230 ( 2.374 -0.500 2.112) 3.217 13.919 ( -7.101 -6.288 -6.786) 11.662 14.185 ( 6.904 8.455 1.946) 11.088 14.682 ( 1.212 -3.494 3.900) 5.374 14.999 ( 0.550 -7.913 -0.147) 7.933 16.261 ( -2.567 0.864 2.304) 3.556 16.402 ( -1.966 -0.102 -2.071) 2.857 16.924 ( 4.039 -0.505 4.925) 6.389 17.167 ( 0.798 1.562 -8.183) 8.368 17.501 ( -9.959 5.109 3.043) 11.599 18.036 ( 2.991 9.753 1.263) 10.280 ======================= Grid point 67 (32/47) ======================= q-point: (-0.33 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( -0.927 -0.000 2.730) 2.883 0.660 ( -6.040 -0.000 1.250) 6.168 0.802 ( 1.127 0.000 0.964) 1.483 0.857 ( -3.134 -0.000 0.813) 3.238 0.888 ( -3.688 -0.000 3.471) 5.065 0.996 ( -0.549 -0.000 0.974) 1.118 1.087 ( -12.480 -0.000 -11.767) 17.153 1.196 ( -4.078 -0.000 0.273) 4.087 1.221 ( 0.272 0.000 -2.799) 2.812 1.272 ( 0.972 0.000 -1.758) 2.009 1.284 ( -3.186 -0.000 -2.345) 3.956 1.360 ( -8.843 -0.000 5.177) 10.247 1.451 ( -0.745 -0.000 -2.835) 2.931 1.469 ( -2.533 -0.000 6.522) 6.997 1.523 ( -3.211 -0.000 6.459) 7.213 1.551 ( 1.875 0.000 0.710) 2.005 1.658 ( 1.563 0.000 -0.472) 1.632 1.676 ( 6.334 0.000 1.546) 6.520 1.751 ( 1.814 0.000 -3.318) 3.781 1.765 ( -0.089 -0.000 -2.407) 2.408 1.770 ( -2.114 -0.000 -2.632) 3.376 1.796 ( 1.992 0.000 -0.995) 2.227 1.912 ( -0.262 -0.000 8.650) 8.654 1.934 ( 2.534 0.000 0.565) 2.597 2.002 ( 1.581 0.000 -1.571) 2.229 2.016 ( 1.385 0.000 3.628) 3.883 2.044 ( -1.318 -0.000 -3.493) 3.733 2.078 ( 0.253 0.000 -0.658) 0.705 2.113 ( 0.381 0.000 -1.864) 1.902 2.193 ( -3.659 -0.000 -0.201) 3.665 2.228 ( -3.343 -0.000 -1.437) 3.638 2.281 ( 1.708 0.000 2.894) 3.360 2.322 ( 0.824 0.000 -2.127) 2.281 2.395 ( 2.169 0.000 -0.628) 2.258 2.448 ( 2.897 0.000 1.165) 3.122 2.452 ( -3.229 -0.000 -2.637) 4.169 2.502 ( 2.129 0.000 1.443) 2.572 2.565 ( -0.078 -0.000 1.342) 1.344 2.599 ( -3.993 -0.000 0.456) 4.019 2.639 ( -1.014 -0.000 0.991) 1.418 2.663 ( 0.371 0.000 -1.557) 1.600 2.706 ( 2.382 0.000 5.311) 5.821 2.728 ( -0.912 -0.000 5.367) 5.444 2.804 ( -1.029 -0.000 -2.871) 3.050 2.834 ( 2.428 0.000 -5.534) 6.043 2.883 ( -0.356 -0.000 -1.330) 1.377 2.935 ( -1.385 -0.000 -0.941) 1.675 2.954 ( -0.002 -0.000 -4.117) 4.117 3.048 ( -1.804 -0.000 -0.535) 1.881 3.075 ( -3.007 -0.000 1.793) 3.501 3.136 ( -2.782 -0.000 1.167) 3.017 3.162 ( 1.273 0.000 -0.308) 1.310 3.185 ( 0.250 0.000 -2.514) 2.526 3.231 ( 0.984 0.000 0.978) 1.387 3.243 ( -1.180 -0.000 -3.715) 3.897 3.254 ( 2.281 0.000 -2.079) 3.086 3.318 ( 1.463 0.000 -2.312) 2.736 3.321 ( 1.144 0.000 2.803) 3.027 3.325 ( -1.803 -0.000 1.959) 2.662 3.372 ( 2.903 0.000 -0.877) 3.033 3.385 ( 0.732 0.000 -0.614) 0.956 3.433 ( 2.859 0.000 0.628) 2.928 3.504 ( 4.921 0.000 1.842) 5.254 3.510 ( 2.504 0.000 5.181) 5.754 3.563 ( 0.512 0.000 -4.695) 4.723 3.587 ( 2.010 0.000 -3.785) 4.286 3.591 ( 4.467 0.000 1.059) 4.591 3.612 ( 0.351 0.000 3.941) 3.957 3.641 ( 0.466 0.000 3.428) 3.459 3.680 ( -2.073 -0.000 3.767) 4.300 3.722 ( 1.344 0.000 -1.686) 2.156 3.751 ( -1.420 -0.000 1.224) 1.875 3.773 ( -1.093 -0.000 1.106) 1.555 3.843 ( 3.392 0.000 -0.074) 3.393 3.851 ( -3.425 -0.000 -5.342) 6.345 3.910 ( 0.291 0.000 1.531) 1.558 3.934 ( 0.236 0.000 -0.871) 0.902 3.967 ( -1.688 -0.000 1.606) 2.330 4.029 ( -4.760 -0.000 -2.610) 5.429 4.072 ( -0.239 -0.000 0.098) 0.258 4.084 ( 3.907 0.000 -0.236) 3.914 4.123 ( 0.783 0.000 -1.040) 1.301 4.242 ( 1.132 0.000 -1.815) 2.139 4.254 ( 2.079 0.000 2.232) 3.050 4.302 ( -0.534 -0.000 0.835) 0.991 4.380 ( 2.263 0.000 4.620) 5.144 4.422 ( -1.289 -0.000 2.002) 2.381 4.434 ( -0.858 -0.000 5.246) 5.315 4.573 ( -2.203 -0.000 -4.864) 5.339 4.590 ( -1.376 -0.000 -2.224) 2.616 4.658 ( 2.523 0.000 1.124) 2.762 4.665 ( 2.080 0.000 -4.889) 5.313 5.303 ( -3.007 -0.000 0.523) 3.052 5.454 ( 1.987 0.000 -0.302) 2.010 5.776 ( -0.691 -0.000 -0.376) 0.787 5.855 ( -0.042 -0.000 -0.308) 0.311 11.195 ( -0.383 -0.000 -2.890) 2.915 11.218 ( 3.017 0.000 3.250) 4.434 13.828 ( -8.114 -0.000 -0.117) 8.115 14.367 ( 5.315 0.000 7.895) 9.517 14.596 ( 7.269 0.000 1.680) 7.461 14.815 ( -2.169 -0.000 -7.783) 8.080 16.279 ( -1.589 -0.000 5.879) 6.090 16.386 ( -3.753 -0.000 -4.530) 5.883 16.925 ( 2.199 0.000 7.963) 8.261 17.181 ( -1.277 -0.000 -13.203) 13.265 17.593 ( -12.508 -0.000 5.661) 13.730 18.261 ( 5.931 0.000 -1.446) 6.105 ======================= Grid point 68 (33/47) ======================= q-point: (-0.17 -0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -7.570 -4.753 0.879) 8.982 0.665 ( -5.129 -4.424 5.192) 8.534 0.756 ( -8.969 -0.895 -2.401) 9.328 0.858 ( -2.327 -3.094 -3.561) 5.261 0.897 ( -0.710 -2.719 2.269) 3.612 0.972 ( -2.428 -1.709 -2.241) 3.720 1.031 ( -2.824 -2.848 0.804) 4.091 1.104 ( -0.009 3.406 0.284) 3.417 1.192 ( -1.246 0.048 -6.612) 6.728 1.219 ( -2.222 2.417 0.427) 3.310 1.286 ( -9.906 -3.269 5.425) 11.758 1.319 ( -1.872 -3.240 -1.444) 4.011 1.377 ( -0.325 3.446 -3.456) 4.892 1.477 ( -0.793 0.682 2.837) 3.024 1.488 ( -2.295 1.475 1.717) 3.224 1.583 ( -0.578 2.091 -3.101) 3.784 1.622 ( -0.617 0.943 4.145) 4.295 1.699 ( -4.374 -2.190 1.302) 5.062 1.728 ( 0.442 1.990 -2.150) 2.963 1.768 ( 3.461 0.185 0.090) 3.467 1.784 ( 2.677 0.178 0.073) 2.684 1.826 ( 3.672 0.828 2.356) 4.441 1.928 ( -0.059 3.243 -3.071) 4.467 1.941 ( -0.465 0.939 3.175) 3.344 1.993 ( -1.265 -0.789 1.757) 2.304 2.040 ( -0.672 -0.343 -0.861) 1.144 2.051 ( 3.174 -1.316 0.185) 3.441 2.078 ( 1.007 2.746 1.627) 3.347 2.127 ( 1.200 -1.663 2.513) 3.244 2.172 ( -2.580 -1.741 0.322) 3.129 2.183 ( 1.114 0.348 -2.452) 2.715 2.330 ( -0.157 -3.804 0.635) 3.860 2.368 ( -1.803 -1.328 0.316) 2.261 2.416 ( 1.746 -4.228 -2.080) 5.025 2.447 ( -1.118 -2.237 -1.584) 2.960 2.507 ( 0.854 -1.840 0.488) 2.087 2.525 ( 0.637 -1.113 1.667) 2.103 2.563 ( -1.186 -1.945 3.045) 3.803 2.599 ( -1.449 -2.873 -1.726) 3.651 2.650 ( 1.629 -2.150 -0.304) 2.714 2.676 ( 1.607 -1.117 -1.427) 2.422 2.762 ( 1.869 -1.669 -1.121) 2.745 2.784 ( -1.490 -1.415 2.302) 3.086 2.785 ( 2.793 -1.086 -0.588) 3.054 2.845 ( 0.294 -1.148 -0.123) 1.192 2.889 ( 1.204 -0.091 -1.181) 1.689 2.916 ( -1.219 -1.240 -3.978) 4.342 2.953 ( 1.238 -0.682 -1.863) 2.339 3.022 ( -0.458 1.885 0.239) 1.954 3.047 ( -3.715 -0.495 2.897) 4.738 3.092 ( -2.090 2.741 0.858) 3.552 3.173 ( -0.071 0.158 -0.436) 0.469 3.192 ( -2.967 1.815 -2.312) 4.177 3.206 ( 2.789 -2.609 0.287) 3.830 3.255 ( 0.512 0.162 -1.599) 1.687 3.262 ( 1.801 0.927 -0.295) 2.047 3.290 ( 0.892 1.472 -2.243) 2.828 3.305 ( -1.478 0.276 1.639) 2.224 3.347 ( 1.749 0.111 0.922) 1.980 3.381 ( 3.266 4.016 1.231) 5.321 3.402 ( 0.532 0.639 -0.139) 0.843 3.430 ( 2.463 2.583 1.914) 4.050 3.477 ( -2.031 4.514 0.891) 5.029 3.511 ( 3.916 6.999 -2.212) 8.319 3.539 ( 3.684 3.666 -0.246) 5.203 3.611 ( 4.719 0.835 0.967) 4.889 3.617 ( -1.327 0.504 0.594) 1.539 3.649 ( -1.342 -1.559 4.099) 4.586 3.678 ( 0.179 -1.013 -0.105) 1.033 3.690 ( 1.980 -0.786 0.998) 2.353 3.721 ( -3.462 0.573 -3.414) 4.895 3.741 ( 1.705 -1.170 1.277) 2.430 3.750 ( 1.402 1.382 0.045) 1.970 3.817 ( -1.761 -3.423 0.784) 3.928 3.886 ( 2.039 1.349 -1.127) 2.692 3.900 ( -2.149 1.137 2.355) 3.385 3.941 ( 0.159 -2.147 1.509) 2.629 3.980 ( -2.659 -1.009 -1.584) 3.256 4.004 ( 1.412 -2.518 -0.992) 3.052 4.083 ( -0.487 -0.245 -0.030) 0.546 4.089 ( 0.402 1.155 -2.430) 2.720 4.139 ( 2.049 -0.016 -1.141) 2.346 4.176 ( -2.157 3.668 -1.711) 4.586 4.255 ( 0.128 0.907 -1.875) 2.087 4.342 ( 3.651 0.905 3.606) 5.211 4.395 ( -0.687 0.078 1.724) 1.857 4.443 ( -0.697 -2.918 -0.469) 3.037 4.481 ( -2.064 -0.567 1.909) 2.868 4.512 ( 0.958 2.213 1.114) 2.657 4.561 ( -0.641 0.568 -1.344) 1.593 4.664 ( 0.467 -0.349 -4.118) 4.159 4.720 ( 2.755 -3.364 2.017) 4.793 5.283 ( -2.145 -1.390 1.020) 2.752 5.464 ( 2.119 1.761 -0.598) 2.819 5.758 ( -0.536 1.132 -0.442) 1.328 5.847 ( -0.754 0.251 0.138) 0.807 11.187 ( 0.774 0.399 -1.995) 2.177 11.263 ( 2.331 -0.147 2.210) 3.215 13.762 ( -6.091 -2.136 1.076) 6.544 14.361 ( 0.107 5.198 3.041) 6.023 14.730 ( 12.510 0.040 -0.439) 12.518 14.861 ( -0.601 -9.443 0.372) 9.469 16.261 ( -1.924 1.351 2.176) 3.203 16.347 ( -2.834 -2.140 -1.779) 3.971 16.976 ( 2.305 0.114 4.946) 5.458 17.129 ( -2.000 -1.555 -7.698) 8.104 17.437 ( -11.686 2.451 1.225) 12.003 18.214 ( 0.147 11.213 -1.458) 11.308 ======================= Grid point 74 (34/47) ======================= q-point: (-0.17 -0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -13.342 -0.000 7.576) 15.343 0.450 ( -16.978 -0.000 3.114) 17.262 0.696 ( -5.097 -0.000 1.641) 5.355 0.819 ( -0.677 -0.000 3.447) 3.513 0.870 ( -12.806 -0.000 9.373) 15.870 0.896 ( 2.302 0.000 0.584) 2.375 0.994 ( -2.803 -0.000 1.774) 3.317 1.114 ( -0.460 -0.000 -9.282) 9.293 1.123 ( -1.840 -0.000 2.213) 2.878 1.170 ( -3.801 -0.000 -0.961) 3.920 1.217 ( -0.149 -0.000 -5.182) 5.185 1.249 ( -2.358 -0.000 0.221) 2.368 1.421 ( 0.809 0.000 -3.636) 3.725 1.422 ( -4.202 -0.000 -0.617) 4.247 1.531 ( -0.117 -0.000 5.501) 5.502 1.561 ( -5.012 -0.000 -3.225) 5.960 1.645 ( 2.137 0.000 -0.335) 2.163 1.685 ( 0.462 0.000 4.639) 4.662 1.740 ( -0.070 -0.000 0.861) 0.864 1.743 ( 0.866 0.000 -4.622) 4.703 1.852 ( 4.305 0.000 -3.052) 5.277 1.881 ( 0.846 0.000 2.050) 2.218 1.938 ( -3.189 -0.000 5.435) 6.302 1.942 ( -2.292 -0.000 -5.721) 6.163 1.954 ( -0.523 -0.000 1.409) 1.503 2.032 ( 0.281 0.000 -2.239) 2.257 2.085 ( 2.927 0.000 -0.027) 2.927 2.097 ( -3.938 -0.000 0.966) 4.055 2.129 ( -0.045 -0.000 0.561) 0.563 2.150 ( 3.595 0.000 -1.056) 3.747 2.213 ( 6.137 0.000 0.887) 6.201 2.324 ( 0.010 0.000 1.442) 1.442 2.339 ( -3.847 -0.000 -2.383) 4.525 2.390 ( 2.809 0.000 2.710) 3.903 2.429 ( 2.160 0.000 -1.428) 2.590 2.511 ( -1.862 -0.000 -0.347) 1.894 2.521 ( -2.368 -0.000 -0.968) 2.558 2.532 ( 0.599 0.000 2.938) 2.998 2.551 ( -0.440 -0.000 5.103) 5.122 2.657 ( 2.952 0.000 -0.773) 3.052 2.678 ( 0.664 0.000 0.123) 0.676 2.739 ( -0.371 -0.000 -4.205) 4.221 2.763 ( -0.882 -0.000 2.101) 2.278 2.814 ( -1.737 -0.000 -0.460) 1.796 2.842 ( 5.968 0.000 1.496) 6.153 2.873 ( -1.904 -0.000 -2.719) 3.319 2.890 ( -0.603 -0.000 -2.556) 2.626 2.963 ( 3.496 0.000 -1.621) 3.853 3.012 ( -3.518 -0.000 2.292) 4.199 3.042 ( 1.620 0.000 -3.704) 4.043 3.117 ( 1.567 0.000 1.183) 1.964 3.162 ( 0.185 0.000 -0.221) 0.288 3.194 ( -1.436 -0.000 0.459) 1.507 3.202 ( 1.466 0.000 1.493) 2.092 3.241 ( -0.238 -0.000 -0.488) 0.543 3.283 ( 1.601 0.000 -2.851) 3.269 3.294 ( -2.158 -0.000 0.220) 2.169 3.298 ( 0.223 0.000 1.954) 1.967 3.363 ( 1.693 0.000 -0.905) 1.919 3.413 ( 1.346 0.000 0.676) 1.506 3.458 ( 1.271 0.000 2.216) 2.555 3.461 ( -1.607 -0.000 4.455) 4.736 3.539 ( 1.044 0.000 -3.446) 3.601 3.559 ( -4.146 -0.000 -2.674) 4.934 3.621 ( -0.948 -0.000 3.478) 3.605 3.632 ( 2.810 0.000 1.224) 3.065 3.643 ( 2.026 0.000 -0.390) 2.063 3.653 ( 3.558 0.000 0.216) 3.565 3.674 ( 2.513 0.000 -1.841) 3.115 3.680 ( -0.349 -0.000 0.456) 0.574 3.710 ( -0.275 -0.000 -0.758) 0.807 3.764 ( 1.271 0.000 0.447) 1.348 3.777 ( 0.134 0.000 1.517) 1.523 3.850 ( 7.009 0.000 4.053) 8.096 3.875 ( -1.686 -0.000 0.974) 1.947 3.891 ( -1.432 -0.000 -0.175) 1.443 3.908 ( 0.248 0.000 2.462) 2.475 3.954 ( 0.052 0.000 -1.322) 1.323 4.017 ( 0.561 0.000 -2.337) 2.404 4.071 ( 1.176 0.000 -1.312) 1.762 4.079 ( -1.929 -0.000 -2.320) 3.017 4.164 ( -5.753 -0.000 -2.268) 6.184 4.164 ( 0.160 0.000 -0.976) 0.989 4.252 ( 3.098 0.000 -4.255) 5.263 4.383 ( 0.625 0.000 -0.112) 0.635 4.393 ( -0.789 -0.000 5.057) 5.119 4.427 ( -4.174 -0.000 -6.918) 8.080 4.439 ( 1.536 0.000 1.970) 2.498 4.545 ( 0.819 0.000 -1.613) 1.809 4.594 ( 2.669 0.000 6.902) 7.400 4.653 ( 0.906 0.000 -1.032) 1.373 4.702 ( -0.171 -0.000 2.197) 2.204 5.255 ( -0.820 -0.000 2.471) 2.604 5.503 ( 2.190 0.000 -0.828) 2.342 5.759 ( -0.606 -0.000 -0.292) 0.672 5.836 ( -1.419 -0.000 0.212) 1.435 11.204 ( 2.087 0.000 -0.880) 2.264 11.289 ( 1.207 0.000 0.603) 1.349 13.735 ( 0.557 0.000 14.308) 14.318 14.373 ( -5.825 -0.000 6.959) 9.075 14.747 ( 1.445 0.000 -0.850) 1.677 14.932 ( 15.140 0.000 0.297) 15.143 16.264 ( -2.318 -0.000 3.579) 4.264 16.277 ( -2.067 -0.000 -3.458) 4.029 17.016 ( 0.812 0.000 4.986) 5.052 17.049 ( -3.162 -0.000 -6.442) 7.176 17.322 ( -9.933 -0.000 -1.595) 10.060 18.311 ( -2.570 -0.000 -17.984) 18.167 ======================= Grid point 75 (35/47) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 26 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( -2.443 -0.000 -3.139) 3.977 0.627 ( 2.443 0.000 3.139) 3.977 0.710 ( -0.815 -0.000 -8.449) 8.488 0.710 ( 0.815 0.000 8.449) 8.488 0.900 ( -1.894 -0.000 -1.147) 2.214 0.900 ( 1.894 0.000 1.147) 2.214 0.985 ( -0.586 -0.000 -1.961) 2.046 0.985 ( 0.586 0.000 1.961) 2.046 1.126 ( -2.922 -0.000 -1.339) 3.214 1.126 ( 2.922 0.000 1.339) 3.214 1.242 ( 2.004 0.000 -1.085) 2.279 1.242 ( -2.004 -0.000 1.085) 2.279 1.289 ( 0.100 0.000 -15.219) 15.219 1.289 ( -0.100 -0.000 15.219) 15.219 1.478 ( 1.973 0.000 -3.150) 3.717 1.478 ( -1.973 -0.000 3.150) 3.717 1.695 ( 1.059 0.000 -1.894) 2.170 1.695 ( -1.059 -0.000 1.894) 2.170 1.791 ( -0.714 -0.000 -1.984) 2.108 1.791 ( 0.714 0.000 1.984) 2.108 1.833 ( 3.375 0.000 -7.800) 8.499 1.833 ( -3.375 -0.000 7.800) 8.499 1.865 ( -2.568 -0.000 -2.487) 3.575 1.865 ( 2.568 0.000 2.487) 3.575 1.965 ( 0.308 0.000 -0.906) 0.957 1.965 ( -0.308 -0.000 0.906) 0.957 2.090 ( 0.314 0.000 -2.651) 2.670 2.090 ( -0.314 -0.000 2.651) 2.670 2.167 ( -0.290 -0.000 -0.875) 0.922 2.167 ( 0.290 0.000 0.875) 0.922 2.293 ( -2.910 -0.000 -8.393) 8.883 2.293 ( 2.910 0.000 8.393) 8.883 2.417 ( 0.583 0.000 -2.170) 2.247 2.417 ( -0.583 -0.000 2.170) 2.247 2.456 ( 1.637 0.000 -2.204) 2.746 2.456 ( -1.637 -0.000 2.204) 2.746 2.536 ( -1.519 -0.000 -4.938) 5.166 2.536 ( 1.519 0.000 4.938) 5.166 2.635 ( -1.195 -0.000 0.333) 1.240 2.635 ( 1.195 0.000 -0.333) 1.240 2.706 ( -4.233 -0.000 -0.475) 4.259 2.706 ( 4.233 0.000 0.475) 4.259 2.748 ( -0.805 -0.000 -3.982) 4.062 2.748 ( 0.805 0.000 3.982) 4.062 2.788 ( 0.763 0.000 -0.831) 1.129 2.788 ( -0.763 -0.000 0.831) 1.129 2.951 ( 5.207 0.000 -5.038) 7.246 2.951 ( -5.207 -0.000 5.038) 7.246 3.064 ( 1.348 0.000 -1.262) 1.847 3.064 ( -1.348 -0.000 1.262) 1.847 3.097 ( 0.052 0.000 -0.685) 0.687 3.097 ( -0.052 -0.000 0.685) 0.687 3.234 ( 0.072 0.000 -0.314) 0.322 3.234 ( -0.072 -0.000 0.314) 0.322 3.276 ( -1.282 -0.000 0.146) 1.290 3.276 ( 1.282 0.000 -0.146) 1.290 3.300 ( -3.390 -0.000 0.228) 3.397 3.300 ( 3.390 0.000 -0.228) 3.397 3.417 ( -8.207 -0.000 -0.443) 8.219 3.417 ( 8.207 0.000 0.443) 8.219 3.430 ( -0.084 -0.000 -2.335) 2.336 3.430 ( 0.084 0.000 2.335) 2.336 3.490 ( -0.297 -0.000 -2.148) 2.168 3.490 ( 0.297 0.000 2.148) 2.168 3.650 ( -0.197 -0.000 -0.094) 0.218 3.650 ( 0.197 0.000 0.094) 0.218 3.676 ( 2.724 0.000 -1.020) 2.909 3.676 ( -2.724 -0.000 1.020) 2.909 3.741 ( -1.275 -0.000 -1.804) 2.209 3.741 ( 1.275 0.000 1.804) 2.209 3.780 ( -0.273 -0.000 -1.303) 1.332 3.780 ( 0.273 0.000 1.303) 1.332 3.837 ( 2.447 0.000 -2.238) 3.316 3.837 ( -2.447 -0.000 2.238) 3.316 3.930 ( -2.776 -0.000 -0.022) 2.776 3.930 ( 2.776 0.000 0.022) 2.776 3.950 ( 0.847 0.000 -0.828) 1.185 3.950 ( -0.847 -0.000 0.828) 1.185 3.994 ( -0.187 -0.000 -3.753) 3.758 3.994 ( 0.187 0.000 3.753) 3.758 4.037 ( -1.673 -0.000 0.381) 1.715 4.037 ( 1.673 0.000 -0.381) 1.715 4.158 ( -4.226 -0.000 -3.356) 5.397 4.158 ( 4.226 0.000 3.356) 5.397 4.368 ( -6.447 -0.000 1.255) 6.568 4.368 ( 6.447 0.000 -1.255) 6.568 4.469 ( 1.175 0.000 -1.767) 2.121 4.469 ( -1.175 -0.000 1.767) 2.121 4.582 ( 0.702 0.000 -1.431) 1.593 4.582 ( -0.702 -0.000 1.431) 1.593 4.809 ( 0.901 0.000 -3.414) 3.531 4.809 ( -0.901 -0.000 3.414) 3.531 5.417 ( -3.007 -0.000 -4.528) 5.436 5.417 ( 3.007 0.000 4.528) 5.436 5.789 ( -1.352 -0.000 -1.148) 1.774 5.789 ( 1.352 0.000 1.148) 1.774 11.270 ( -1.225 -0.000 -1.352) 1.824 11.270 ( 1.225 0.000 1.352) 1.824 14.308 ( -10.872 -0.000 2.125) 11.077 14.308 ( 10.872 0.000 -2.125) 11.077 15.105 ( -8.976 -0.000 0.814) 9.013 15.105 ( 8.976 0.000 -0.814) 9.013 16.250 ( -4.320 -0.000 1.395) 4.540 16.250 ( 4.320 0.000 -1.395) 4.540 17.003 ( -10.896 -0.000 0.910) 10.934 17.003 ( 10.896 0.000 -0.910) 10.934 17.163 ( -12.860 -0.000 4.039) 13.480 17.163 ( 12.860 0.000 -4.039) 13.480 ======================= Grid point 77 (36/47) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 3.241 -3.276 -12.839) 13.641 0.690 ( 2.665 0.762 6.273) 6.858 0.700 ( 0.547 -5.243 -10.346) 11.612 0.793 ( 1.457 -2.314 11.531) 11.851 0.888 ( -1.091 -1.113 1.156) 1.940 0.932 ( 2.588 -0.843 -0.634) 2.794 0.972 ( -1.004 -0.231 -2.383) 2.596 1.024 ( 2.451 -2.765 -0.551) 3.736 1.103 ( -2.266 -1.650 2.146) 3.530 1.150 ( 2.701 0.694 -0.160) 2.793 1.253 ( -0.979 -2.811 1.418) 3.297 1.296 ( 1.790 -0.652 1.310) 2.313 1.338 ( 2.141 -3.124 -9.413) 10.146 1.380 ( 2.562 -4.683 -6.199) 8.181 1.462 ( 3.448 1.458 -2.349) 4.420 1.517 ( 1.420 -4.471 10.043) 11.084 1.683 ( -1.685 0.751 0.949) 2.074 1.697 ( -1.880 -2.469 1.245) 3.344 1.742 ( 0.292 5.488 -1.200) 5.625 1.794 ( 0.510 0.118 2.118) 2.182 1.818 ( -1.585 -1.084 1.824) 2.648 1.856 ( 2.041 -0.844 -3.972) 4.544 1.881 ( 1.079 -1.954 -0.117) 2.235 1.916 ( 1.784 -1.326 4.125) 4.686 1.943 ( 0.830 2.060 -0.821) 2.367 1.975 ( 1.974 0.892 1.369) 2.562 2.069 ( -0.990 0.309 0.173) 1.051 2.080 ( -0.440 0.735 0.316) 0.913 2.164 ( -1.192 0.149 2.015) 2.346 2.182 ( 1.339 -0.187 -0.919) 1.635 2.239 ( -1.629 -0.381 -4.529) 4.828 2.328 ( 0.334 2.044 4.584) 5.030 2.400 ( -1.862 -0.601 -1.440) 2.429 2.410 ( 0.730 0.088 -2.882) 2.974 2.455 ( -0.143 0.814 -0.815) 1.161 2.493 ( 1.553 -3.831 1.722) 4.478 2.538 ( -0.305 -3.352 -2.005) 3.918 2.559 ( 0.236 0.553 3.918) 3.964 2.611 ( -0.604 0.110 -3.556) 3.609 2.670 ( -3.066 -2.389 4.113) 5.659 2.682 ( 0.376 -2.005 -1.071) 2.304 2.701 ( -2.867 0.211 1.361) 3.181 2.761 ( 3.406 -0.666 -0.816) 3.565 2.786 ( 1.305 -2.752 -0.263) 3.057 2.841 ( -0.917 -5.499 0.207) 5.579 2.860 ( -0.786 -2.660 3.493) 4.460 2.905 ( -3.171 -1.439 2.100) 4.067 2.967 ( 0.652 0.922 -1.875) 2.188 3.032 ( 0.021 -0.103 -4.284) 4.286 3.058 ( 2.197 2.613 -2.079) 3.997 3.072 ( 0.625 3.506 -0.061) 3.561 3.101 ( 1.967 2.162 2.854) 4.085 3.164 ( -1.256 3.286 -0.761) 3.599 3.210 ( 0.699 1.805 2.333) 3.032 3.254 ( -2.269 1.161 0.499) 2.598 3.280 ( -2.191 0.094 0.619) 2.279 3.294 ( -1.070 -0.209 -0.440) 1.176 3.330 ( 2.771 0.576 1.375) 3.146 3.358 ( -1.115 0.100 -0.498) 1.225 3.406 ( -0.517 2.326 0.357) 2.409 3.414 ( 1.207 3.532 1.997) 4.233 3.474 ( 1.092 1.334 -0.525) 1.802 3.486 ( 0.872 -0.226 0.802) 1.206 3.527 ( 0.186 0.803 0.986) 1.285 3.565 ( -6.944 3.023 2.221) 7.893 3.645 ( -0.288 0.513 1.055) 1.207 3.656 ( -2.283 -0.019 -1.372) 2.663 3.697 ( -1.531 -0.825 -2.528) 3.069 3.711 ( -0.756 -1.586 0.286) 1.781 3.737 ( 1.570 1.564 -2.169) 3.101 3.780 ( -0.113 -0.842 -4.126) 4.213 3.797 ( 0.757 -0.042 -1.283) 1.490 3.838 ( -2.961 -2.179 2.938) 4.706 3.851 ( 0.411 -0.326 -2.184) 2.246 3.894 ( -0.016 3.259 0.200) 3.265 3.913 ( 1.621 0.991 -0.325) 1.927 3.946 ( -0.770 0.228 0.630) 1.021 3.964 ( -1.794 -0.440 -1.820) 2.593 3.986 ( -0.457 1.578 -0.234) 1.659 4.031 ( 1.606 0.989 -2.009) 2.755 4.049 ( 2.164 -1.761 2.467) 3.724 4.053 ( 2.720 -1.815 1.417) 3.564 4.098 ( 0.628 1.848 -2.612) 3.261 4.240 ( 5.565 -0.804 5.623) 7.952 4.265 ( -8.120 1.826 2.269) 8.627 4.403 ( 3.139 2.303 -0.432) 3.917 4.462 ( -2.241 -0.808 2.010) 3.117 4.470 ( 0.914 0.197 -3.015) 3.157 4.569 ( -2.213 0.150 -0.115) 2.221 4.580 ( -1.730 -0.858 -1.290) 2.323 4.776 ( -0.978 1.829 -4.249) 4.728 4.813 ( 0.553 -0.752 -0.546) 1.081 5.354 ( -2.361 0.360 -4.351) 4.963 5.426 ( -0.348 2.438 4.948) 5.527 5.767 ( -0.703 0.908 -0.941) 1.484 5.810 ( 2.056 0.184 0.491) 2.121 11.221 ( -2.624 2.001 -0.765) 3.387 11.270 ( 0.893 1.144 1.165) 1.861 14.124 ( -8.292 5.793 -9.872) 14.134 14.310 ( 4.778 10.617 -0.334) 11.648 14.904 ( -17.327 0.805 9.923) 19.984 15.105 ( -2.249 -2.277 -9.965) 10.466 16.243 ( -4.248 -3.462 1.227) 5.616 16.319 ( 1.613 -2.564 -0.531) 3.075 16.955 ( 1.586 -1.614 1.668) 2.811 17.014 ( 7.674 5.813 1.129) 9.694 17.225 ( -0.170 -7.934 0.591) 7.958 17.574 ( 25.900 -8.279 10.047) 28.988 ======================= Grid point 78 (37/47) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 1.100 -1.951 -1.706) 2.816 0.725 ( 2.520 -6.532 -4.739) 8.454 0.809 ( 4.477 -4.217 -3.536) 7.094 0.833 ( -0.532 0.661 2.635) 2.769 0.942 ( 0.640 -2.511 3.915) 4.695 0.951 ( -1.238 -0.709 -1.006) 1.745 0.991 ( 1.814 -3.533 -2.447) 4.665 1.084 ( 3.920 2.396 -0.541) 4.626 1.111 ( -3.320 -2.835 1.687) 4.680 1.189 ( 2.308 -2.311 0.399) 3.290 1.243 ( -2.790 3.679 2.629) 5.314 1.272 ( -0.415 4.194 2.376) 4.838 1.339 ( 3.861 -2.426 -2.648) 5.273 1.466 ( 4.109 0.765 -0.961) 4.289 1.535 ( -1.978 -2.936 -4.794) 5.959 1.580 ( 0.499 -3.887 -0.395) 3.939 1.659 ( 0.144 0.118 -0.058) 0.195 1.681 ( -0.314 2.232 4.339) 4.889 1.735 ( 0.510 -1.947 -3.180) 3.763 1.779 ( -2.008 0.456 1.719) 2.683 1.828 ( 0.839 2.601 -2.601) 3.773 1.867 ( -1.219 -1.810 0.013) 2.182 1.907 ( 0.209 0.627 -1.195) 1.365 1.926 ( 0.808 -1.198 -0.269) 1.470 1.973 ( 2.200 0.515 -0.745) 2.379 2.033 ( 3.758 -2.382 -0.603) 4.490 2.065 ( -0.012 0.592 1.399) 1.519 2.079 ( -1.698 -1.776 4.270) 4.926 2.174 ( -0.613 -1.740 2.338) 2.978 2.194 ( 1.086 -1.448 2.022) 2.714 2.271 ( 3.340 -3.171 -3.982) 6.088 2.311 ( 0.714 -0.990 1.316) 1.795 2.391 ( 0.236 0.581 -0.917) 1.111 2.408 ( 0.772 -1.745 0.124) 1.912 2.484 ( -1.077 -1.667 2.961) 3.564 2.516 ( 4.188 3.337 -3.627) 6.467 2.567 ( -2.082 -1.492 2.112) 3.319 2.585 ( 0.356 -2.551 0.267) 2.590 2.641 ( 0.500 -3.779 -1.961) 4.287 2.663 ( -3.513 -2.880 0.915) 4.634 2.696 ( -1.770 -1.355 3.099) 3.817 2.735 ( 0.302 -4.124 -1.747) 4.489 2.785 ( -4.530 0.421 1.747) 4.873 2.837 ( 1.666 -1.114 0.938) 2.213 2.847 ( -0.771 0.039 -0.025) 0.772 2.888 ( 0.499 -0.682 0.010) 0.845 2.909 ( -0.223 0.735 0.407) 0.869 2.932 ( 0.212 2.478 -0.293) 2.504 3.016 ( 3.452 4.713 -1.447) 6.018 3.030 ( 1.679 3.101 -0.196) 3.532 3.088 ( 2.317 -3.942 -3.138) 5.546 3.117 ( 1.985 -1.212 -0.072) 2.327 3.151 ( -0.913 -0.254 -0.339) 1.006 3.178 ( -1.962 1.431 4.014) 4.692 3.215 ( -1.091 2.118 1.011) 2.588 3.244 ( -2.404 2.277 1.269) 3.546 3.274 ( 0.438 -0.846 1.085) 1.444 3.318 ( -0.886 4.272 0.775) 4.431 3.352 ( 1.664 1.044 1.855) 2.702 3.367 ( 0.300 3.904 -0.315) 3.928 3.375 ( 0.562 0.783 0.177) 0.980 3.438 ( -1.348 2.298 -2.265) 3.497 3.476 ( -3.230 0.256 0.917) 3.367 3.479 ( -4.453 1.634 0.945) 4.837 3.492 ( 0.174 0.612 -0.592) 0.869 3.576 ( -3.301 1.862 -3.442) 5.120 3.622 ( -2.260 -0.428 0.524) 2.359 3.690 ( -2.727 1.121 -3.278) 4.409 3.705 ( 0.440 1.961 -0.381) 2.046 3.752 ( -2.594 1.057 -0.305) 2.818 3.760 ( 0.907 0.081 -1.841) 2.054 3.800 ( -1.340 -1.812 0.367) 2.283 3.801 ( 1.525 -1.199 0.527) 2.011 3.857 ( -0.774 1.227 0.878) 1.696 3.871 ( 2.284 2.361 -1.115) 3.469 3.904 ( -1.966 0.123 0.183) 1.978 3.940 ( 3.097 -0.150 -2.347) 3.889 3.966 ( -0.777 -1.675 0.995) 2.097 3.984 ( -0.019 -1.175 -0.188) 1.190 4.022 ( -1.899 -0.681 0.827) 2.181 4.049 ( 2.053 1.746 1.710) 3.192 4.100 ( 0.298 1.383 -0.552) 1.519 4.149 ( 3.680 -2.697 1.754) 4.888 4.195 ( -1.108 -0.065 1.936) 2.231 4.337 ( 3.548 -0.380 2.513) 4.365 4.374 ( 0.154 3.070 -0.346) 3.093 4.427 ( -3.209 0.365 -1.535) 3.576 4.481 ( 1.867 -0.783 -3.105) 3.707 4.537 ( -1.675 0.390 0.341) 1.753 4.575 ( -1.835 -1.677 2.528) 3.546 4.719 ( -0.672 2.030 -5.266) 5.684 4.834 ( 0.421 -0.735 0.008) 0.847 5.325 ( -0.853 0.260 -1.092) 1.410 5.403 ( -0.358 0.862 2.336) 2.516 5.740 ( -0.452 1.151 -0.326) 1.278 5.833 ( 1.623 -0.045 0.069) 1.625 11.169 ( -1.580 0.920 -0.293) 1.852 11.277 ( 1.027 0.276 1.319) 1.694 13.916 ( -4.127 4.520 -12.665) 14.067 14.193 ( -0.344 6.926 5.746) 9.006 14.794 ( -7.359 -0.649 4.863) 8.844 15.108 ( -1.025 -3.391 -4.990) 6.120 16.239 ( -2.705 -0.991 0.508) 2.925 16.361 ( 0.748 -1.584 0.185) 1.761 16.975 ( 0.479 0.185 0.181) 0.544 17.102 ( 9.832 0.203 1.300) 9.920 17.324 ( -0.984 -4.736 -0.666) 4.883 17.902 ( 11.965 -1.596 6.207) 13.573 ======================= Grid point 79 (38/47) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( -0.000 0.000 0.000) 0.000 0.816 ( -0.000 0.000 0.000) 0.000 0.823 ( 0.000 0.000 -0.000) 0.000 0.888 ( -0.000 0.000 0.000) 0.000 0.919 ( -0.000 0.000 0.000) 0.000 0.969 ( -0.000 0.000 0.000) 0.000 1.020 ( -0.000 0.000 0.000) 0.000 1.084 ( -0.000 0.000 0.000) 0.000 1.121 ( 0.000 0.000 0.000) 0.000 1.203 ( 0.000 0.000 0.000) 0.000 1.205 ( -0.000 -0.000 -0.000) 0.000 1.263 ( -0.000 0.000 0.000) 0.000 1.394 ( -0.000 0.000 0.000) 0.000 1.442 ( 0.000 0.000 0.000) 0.000 1.548 ( -0.000 0.000 0.000) 0.000 1.596 ( -0.000 0.000 0.000) 0.000 1.666 ( -0.000 0.000 0.000) 0.000 1.680 ( -0.000 -0.000 0.000) 0.000 1.740 ( -0.000 0.000 -0.000) 0.000 1.765 ( -0.000 0.000 0.000) 0.000 1.804 ( -0.000 0.000 0.000) 0.000 1.861 ( 0.000 0.000 -0.000) 0.000 1.904 ( -0.000 0.000 0.000) 0.000 1.950 ( -0.000 -0.000 -0.000) 0.000 1.955 ( -0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 -0.000) 0.000 2.078 ( -0.000 0.000 0.000) 0.000 2.095 ( -0.000 0.000 0.000) 0.000 2.215 ( -0.000 -0.000 0.000) 0.000 2.236 ( 0.000 -0.000 -0.000) 0.000 2.275 ( -0.000 0.000 0.000) 0.000 2.362 ( -0.000 -0.000 -0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.476 ( -0.000 0.000 0.000) 0.000 2.518 ( 0.000 -0.000 0.000) 0.000 2.533 ( 0.000 -0.000 0.000) 0.000 2.534 ( -0.000 0.000 -0.000) 0.000 2.602 ( -0.000 0.000 0.000) 0.000 2.664 ( -0.000 0.000 0.000) 0.000 2.688 ( -0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 -0.000) 0.000 2.765 ( -0.000 0.000 0.000) 0.000 2.773 ( -0.000 -0.000 0.000) 0.000 2.813 ( 0.000 0.000 -0.000) 0.000 2.830 ( 0.000 0.000 -0.000) 0.000 2.843 ( -0.000 0.000 0.000) 0.000 2.937 ( -0.000 0.000 0.000) 0.000 2.968 ( 0.000 0.000 0.000) 0.000 2.970 ( -0.000 -0.000 0.000) 0.000 3.023 ( -0.000 0.000 0.000) 0.000 3.085 ( -0.000 0.000 0.000) 0.000 3.134 ( -0.000 0.000 0.000) 0.000 3.163 ( 0.000 0.000 0.000) 0.000 3.178 ( -0.000 0.000 0.000) 0.000 3.181 ( -0.000 0.000 -0.000) 0.000 3.256 ( -0.000 0.000 0.000) 0.000 3.285 ( -0.000 0.000 0.000) 0.000 3.305 ( 0.000 -0.000 0.000) 0.000 3.314 ( -0.000 0.000 -0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.372 ( 0.000 0.000 0.000) 0.000 3.378 ( -0.000 0.000 -0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.467 ( -0.000 -0.000 0.000) 0.000 3.479 ( -0.000 0.000 0.000) 0.000 3.536 ( -0.000 -0.000 -0.000) 0.000 3.583 ( -0.000 0.000 0.000) 0.000 3.661 ( -0.000 0.000 0.000) 0.000 3.683 ( -0.000 0.000 -0.000) 0.000 3.733 ( -0.000 0.000 0.000) 0.000 3.766 ( -0.000 0.000 0.000) 0.000 3.810 ( -0.000 0.000 0.000) 0.000 3.826 ( -0.000 0.000 -0.000) 0.000 3.836 ( -0.000 0.000 -0.000) 0.000 3.878 ( -0.000 0.000 -0.000) 0.000 3.890 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 -0.000) 0.000 3.972 ( -0.000 0.000 0.000) 0.000 4.000 ( -0.000 -0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.070 ( 0.000 -0.000 0.000) 0.000 4.082 ( -0.000 0.000 -0.000) 0.000 4.190 ( -0.000 0.000 0.000) 0.000 4.214 ( 0.000 -0.000 0.000) 0.000 4.332 ( 0.000 0.000 0.000) 0.000 4.341 ( -0.000 0.000 -0.000) 0.000 4.414 ( -0.000 0.000 -0.000) 0.000 4.502 ( -0.000 0.000 -0.000) 0.000 4.522 ( -0.000 0.000 0.000) 0.000 4.597 ( -0.000 0.000 -0.000) 0.000 4.675 ( -0.000 0.000 0.000) 0.000 4.841 ( -0.000 0.000 0.000) 0.000 5.315 ( -0.000 0.000 0.000) 0.000 5.403 ( -0.000 0.000 0.000) 0.000 5.726 ( -0.000 0.000 0.000) 0.000 5.844 ( -0.000 0.000 0.000) 0.000 11.153 ( -0.000 0.000 -0.000) 0.000 11.285 ( -0.000 0.000 0.000) 0.000 13.831 ( -0.000 0.000 0.000) 0.000 14.147 ( -0.000 0.000 0.000) 0.000 14.766 ( -0.000 0.000 0.000) 0.000 15.123 ( -0.000 0.000 0.000) 0.000 16.229 ( -0.000 0.000 0.000) 0.000 16.381 ( -0.000 0.000 -0.000) 0.000 16.978 ( -0.000 0.000 0.000) 0.000 17.172 ( -0.000 0.000 0.000) 0.000 17.346 ( -0.000 0.000 0.000) 0.000 17.989 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 84 (39/47) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 4.454 0.000 -10.883) 11.759 0.620 ( 6.394 0.000 -10.085) 11.941 0.739 ( 1.254 0.000 -2.057) 2.409 0.838 ( 0.949 0.000 4.646) 4.742 0.896 ( 2.286 0.000 6.935) 7.303 0.970 ( 3.431 0.000 -5.344) 6.351 0.979 ( -1.087 -0.000 0.187) 1.103 1.000 ( 3.805 0.000 -0.381) 3.824 1.079 ( -1.910 -0.000 7.704) 7.937 1.153 ( -0.340 -0.000 1.762) 1.795 1.267 ( 2.052 0.000 -0.113) 2.055 1.316 ( 11.285 0.000 -13.383) 17.506 1.347 ( 7.160 0.000 0.186) 7.163 1.381 ( 2.385 0.000 0.737) 2.497 1.528 ( 2.016 0.000 5.410) 5.774 1.550 ( 4.202 0.000 -0.566) 4.240 1.636 ( -3.963 -0.000 4.081) 5.688 1.656 ( -1.905 -0.000 -1.512) 2.433 1.773 ( -3.039 -0.000 0.737) 3.127 1.793 ( -2.206 -0.000 1.198) 2.510 1.838 ( 0.260 0.000 -5.684) 5.690 1.846 ( 1.576 0.000 1.612) 2.254 1.865 ( 2.539 0.000 2.370) 3.473 1.936 ( 0.453 0.000 3.931) 3.957 1.996 ( 2.297 0.000 -0.894) 2.465 2.020 ( 3.499 0.000 0.555) 3.542 2.062 ( 0.264 0.000 -0.480) 0.548 2.066 ( -1.759 -0.000 1.602) 2.379 2.165 ( -0.035 -0.000 -0.218) 0.221 2.182 ( 0.893 0.000 -4.012) 4.110 2.210 ( -2.481 -0.000 1.507) 2.903 2.343 ( -2.608 -0.000 -2.641) 3.712 2.360 ( -3.216 -0.000 -1.447) 3.526 2.396 ( -0.844 -0.000 3.413) 3.516 2.463 ( 0.446 0.000 -5.198) 5.217 2.466 ( 2.747 0.000 3.976) 4.833 2.501 ( -0.108 -0.000 -0.101) 0.148 2.576 ( -2.145 -0.000 -0.261) 2.161 2.596 ( -2.589 -0.000 3.370) 4.250 2.624 ( 0.205 0.000 -1.693) 1.706 2.686 ( 1.252 0.000 -0.414) 1.318 2.688 ( -1.819 -0.000 -1.736) 2.514 2.753 ( -3.133 -0.000 3.328) 4.570 2.762 ( -0.521 -0.000 4.681) 4.710 2.830 ( 3.928 0.000 1.758) 4.304 2.839 ( 2.736 0.000 0.478) 2.777 2.864 ( -1.633 -0.000 -0.355) 1.672 2.959 ( -1.987 -0.000 -1.141) 2.291 3.024 ( 0.756 0.000 -3.315) 3.400 3.095 ( 3.345 0.000 -4.006) 5.219 3.109 ( 0.517 0.000 0.333) 0.615 3.129 ( -0.729 -0.000 5.684) 5.731 3.207 ( -2.322 -0.000 -1.318) 2.670 3.227 ( -2.147 -0.000 -1.289) 2.504 3.244 ( 0.935 0.000 -0.675) 1.153 3.250 ( -0.082 -0.000 -0.197) 0.213 3.283 ( -4.577 -0.000 4.303) 6.282 3.302 ( 1.175 0.000 -0.073) 1.177 3.365 ( 1.667 0.000 -0.384) 1.711 3.439 ( -0.576 -0.000 -1.652) 1.750 3.461 ( -2.575 -0.000 2.163) 3.363 3.464 ( 0.698 0.000 2.915) 2.997 3.514 ( 1.492 0.000 -1.732) 2.286 3.537 ( -5.910 -0.000 0.828) 5.967 3.562 ( -0.197 -0.000 5.114) 5.118 3.615 ( -3.908 -0.000 0.742) 3.978 3.650 ( -0.436 -0.000 -2.523) 2.561 3.666 ( -0.047 -0.000 0.889) 0.890 3.682 ( -0.330 -0.000 0.990) 1.043 3.734 ( -1.814 -0.000 -4.379) 4.740 3.765 ( 0.834 0.000 -5.900) 5.959 3.789 ( -1.228 -0.000 -2.597) 2.873 3.828 ( 3.099 0.000 4.095) 5.135 3.835 ( 0.366 0.000 -2.036) 2.069 3.891 ( -1.713 -0.000 0.447) 1.770 3.927 ( -0.074 -0.000 -2.270) 2.271 3.947 ( 0.809 0.000 -0.225) 0.840 3.958 ( -3.304 -0.000 -3.755) 5.002 4.008 ( -4.137 -0.000 0.119) 4.138 4.026 ( 1.679 0.000 2.775) 3.243 4.046 ( 2.228 0.000 0.313) 2.250 4.114 ( 5.934 0.000 2.556) 6.461 4.148 ( 4.515 0.000 -0.389) 4.532 4.187 ( -7.574 -0.000 2.983) 8.140 4.307 ( 4.869 0.000 4.548) 6.663 4.428 ( -2.405 -0.000 -0.746) 2.518 4.437 ( -1.123 -0.000 1.293) 1.712 4.467 ( 0.096 0.000 -1.999) 2.001 4.542 ( -1.870 -0.000 -2.045) 2.771 4.570 ( 0.442 0.000 1.489) 1.554 4.753 ( -3.893 -0.000 -3.402) 5.170 4.781 ( -0.061 -0.000 -5.737) 5.737 5.314 ( -0.771 -0.000 -4.123) 4.195 5.447 ( -2.538 -0.000 5.041) 5.644 5.773 ( 0.747 0.000 -1.569) 1.737 5.833 ( 1.314 0.000 0.591) 1.441 11.199 ( -3.411 -0.000 -0.297) 3.424 11.283 ( -0.125 -0.000 0.916) 0.924 14.027 ( -7.310 -0.000 -13.075) 14.980 14.512 ( 9.310 0.000 -8.028) 12.293 14.740 ( -9.762 -0.000 -0.952) 9.808 14.858 ( -21.627 -0.000 9.911) 23.790 16.220 ( 0.989 0.000 2.376) 2.574 16.325 ( 3.770 0.000 -2.651) 4.608 16.950 ( -1.008 -0.000 4.062) 4.185 17.110 ( 2.778 0.000 -5.002) 5.722 17.324 ( 18.660 0.000 -3.063) 18.909 17.869 ( 17.836 0.000 23.408) 29.429 ======================= Grid point 85 (40/47) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 5.539 -1.487 -6.900) 8.972 0.703 ( 5.704 -2.404 2.102) 6.536 0.771 ( 3.540 -4.889 -4.806) 7.715 0.831 ( -0.743 0.707 -0.866) 1.342 0.946 ( 1.273 -0.248 1.714) 2.149 0.952 ( 0.180 -0.825 -2.240) 2.394 1.010 ( 3.307 -0.302 2.127) 3.944 1.052 ( -1.027 2.584 5.311) 5.994 1.114 ( 5.827 -5.127 -0.061) 7.761 1.232 ( 2.379 -3.085 2.455) 4.605 1.254 ( 0.580 3.022 1.280) 3.333 1.334 ( 0.752 5.544 -0.979) 5.680 1.417 ( 5.571 2.638 1.644) 6.379 1.466 ( 7.086 -3.742 -6.789) 10.502 1.516 ( -1.188 3.068 -0.527) 3.332 1.564 ( 2.182 -0.176 1.830) 2.853 1.661 ( -0.858 -1.439 1.083) 1.995 1.691 ( 0.282 -3.394 0.747) 3.486 1.734 ( -2.048 0.408 2.567) 3.309 1.755 ( -0.395 1.446 -3.440) 3.753 1.821 ( -1.094 -1.832 -3.411) 4.024 1.851 ( 0.681 0.438 1.363) 1.586 1.900 ( -1.512 0.391 -2.084) 2.604 1.951 ( 2.475 0.862 0.444) 2.658 1.995 ( 0.256 0.289 1.583) 1.629 2.040 ( -0.989 -0.542 2.220) 2.490 2.057 ( 0.776 0.044 -0.279) 0.826 2.089 ( 0.800 0.932 0.553) 1.347 2.148 ( -0.722 -1.847 0.286) 2.004 2.170 ( -1.805 0.275 0.118) 1.830 2.228 ( 2.615 -3.664 -3.808) 5.896 2.324 ( 0.934 -1.421 -2.874) 3.339 2.369 ( 0.629 -2.394 2.783) 3.724 2.399 ( -3.158 -0.656 -0.729) 3.307 2.430 ( 0.060 -0.604 -2.248) 2.328 2.497 ( -2.131 -1.990 1.523) 3.289 2.549 ( -1.774 -3.978 2.555) 5.049 2.575 ( -2.116 -2.391 5.181) 6.086 2.604 ( 1.879 -0.184 0.881) 2.084 2.615 ( 1.851 1.692 -3.336) 4.174 2.648 ( -1.315 -1.433 -0.585) 2.031 2.704 ( 0.054 -1.421 -0.166) 1.432 2.738 ( -2.560 -0.776 2.762) 3.845 2.828 ( -1.160 -2.938 4.078) 5.158 2.839 ( 2.060 0.664 -0.625) 2.253 2.886 ( 2.673 -2.240 -2.264) 4.158 2.910 ( 1.676 -1.055 -0.117) 1.984 2.930 ( -1.665 -0.300 -1.073) 2.004 3.038 ( 2.295 -1.699 -2.020) 3.498 3.086 ( 0.647 2.479 0.734) 2.665 3.129 ( 3.479 1.181 -5.077) 6.267 3.133 ( -1.284 0.054 3.369) 3.606 3.155 ( -0.021 2.166 1.643) 2.719 3.209 ( -2.701 -1.542 1.523) 3.463 3.224 ( -0.316 1.935 0.798) 2.117 3.249 ( -2.389 1.255 2.185) 3.473 3.254 ( 0.503 -0.270 -1.546) 1.648 3.328 ( -0.886 -0.843 0.679) 1.399 3.359 ( -0.292 1.225 -1.276) 1.793 3.396 ( -4.364 3.460 2.045) 5.933 3.413 ( -1.861 -0.142 -1.370) 2.316 3.437 ( 0.301 2.344 -0.094) 2.365 3.466 ( -2.834 4.480 1.009) 5.396 3.523 ( -0.987 2.927 0.817) 3.195 3.528 ( 0.844 2.917 -1.192) 3.262 3.569 ( -0.569 -0.908 2.055) 2.318 3.627 ( 1.343 2.173 0.253) 2.568 3.658 ( -2.449 1.201 -0.533) 2.779 3.707 ( -2.787 1.208 -0.862) 3.157 3.721 ( -0.362 -0.941 -2.557) 2.749 3.736 ( -1.857 0.344 -2.020) 2.765 3.759 ( -1.239 -0.418 -0.975) 1.631 3.789 ( -1.262 -2.734 -1.165) 3.229 3.848 ( -1.033 0.536 -4.025) 4.190 3.890 ( 1.384 1.473 -1.876) 2.757 3.935 ( 0.580 -0.742 1.245) 1.561 3.946 ( 2.440 -0.490 0.075) 2.490 3.958 ( -4.083 -1.794 2.619) 5.172 3.968 ( 1.540 -0.173 1.307) 2.028 4.036 ( 0.860 1.213 2.587) 2.984 4.088 ( 1.374 -1.303 0.118) 1.897 4.113 ( -1.699 0.158 -0.106) 1.709 4.163 ( 2.937 1.940 0.128) 3.522 4.209 ( 2.349 -0.027 2.506) 3.435 4.373 ( 0.482 0.856 0.943) 1.362 4.390 ( -2.198 1.621 1.436) 3.085 4.408 ( 0.147 -0.571 0.380) 0.702 4.471 ( -0.047 -1.059 -1.654) 1.965 4.532 ( 0.266 -1.019 0.731) 1.282 4.572 ( 0.677 1.710 2.851) 3.393 4.686 ( -3.774 -0.239 -6.664) 7.662 4.782 ( -1.753 -2.822 -3.333) 4.706 5.315 ( 1.221 -0.639 -2.431) 2.795 5.419 ( -2.078 1.380 3.871) 4.605 5.766 ( 1.038 1.538 -1.150) 2.183 5.846 ( 0.401 -0.015 0.292) 0.496 11.160 ( -1.916 0.409 0.783) 2.110 11.282 ( -0.586 -0.108 -0.002) 0.596 13.903 ( -0.456 3.044 -11.710) 12.107 14.359 ( -2.412 13.257 3.391) 13.895 14.698 ( -5.351 -2.901 2.512) 6.585 14.884 ( -6.194 -14.838 -1.334) 16.134 16.243 ( 2.042 0.673 2.871) 3.587 16.363 ( 2.814 -0.552 -2.298) 3.675 16.962 ( -1.475 -0.894 5.302) 5.575 17.127 ( 0.677 -1.639 -6.333) 6.577 17.478 ( 17.548 6.145 -3.582) 18.934 18.046 ( 3.348 2.038 13.727) 14.276 ======================= Grid point 86 (41/47) ======================= q-point: ( 0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 2.666 -0.783 -1.915) 3.375 0.797 ( -2.492 -1.723 3.780) 4.844 0.826 ( 3.505 -2.437 -4.484) 6.191 0.907 ( 4.415 0.410 5.663) 7.192 0.945 ( 0.807 0.342 1.508) 1.745 1.000 ( 4.553 -3.191 -2.978) 6.307 1.019 ( -4.342 -2.343 1.447) 5.142 1.059 ( 3.120 3.740 2.142) 5.321 1.160 ( -0.860 6.048 -0.716) 6.150 1.197 ( 2.325 3.988 -1.369) 4.815 1.252 ( 3.445 -0.634 -2.334) 4.209 1.347 ( 1.538 1.593 4.558) 5.068 1.363 ( -1.055 2.639 -1.234) 3.099 1.492 ( 2.125 2.874 1.410) 3.842 1.529 ( -0.054 -0.678 -0.234) 0.720 1.616 ( 2.891 -2.430 1.175) 3.955 1.655 ( -2.209 1.098 1.606) 2.943 1.669 ( -0.681 -0.198 -1.950) 2.075 1.731 ( -2.199 -0.660 0.978) 2.495 1.764 ( 1.074 0.408 0.327) 1.195 1.828 ( -0.152 0.985 0.263) 1.031 1.847 ( 0.747 -2.685 -5.549) 6.210 1.884 ( 0.927 -1.403 -1.208) 2.071 1.954 ( -0.297 1.490 1.107) 1.880 1.988 ( 0.936 0.736 -0.613) 1.339 2.046 ( -1.025 0.658 -0.689) 1.399 2.052 ( -1.183 -1.361 -1.025) 2.075 2.092 ( 0.516 -1.008 0.106) 1.137 2.164 ( -0.872 -1.818 -0.086) 2.018 2.209 ( -2.075 -5.208 -2.918) 6.320 2.272 ( 1.299 -0.727 -7.007) 7.164 2.353 ( 1.956 0.664 1.547) 2.581 2.413 ( -4.261 -3.980 4.164) 7.165 2.422 ( 0.120 1.589 5.970) 6.179 2.457 ( -0.517 -4.528 -0.609) 4.598 2.514 ( -0.922 -1.267 0.942) 1.828 2.561 ( -1.612 -1.986 3.825) 4.601 2.585 ( 1.760 1.272 -1.953) 2.921 2.625 ( -1.592 -2.278 0.750) 2.879 2.657 ( -0.296 -4.645 0.037) 4.655 2.674 ( -0.120 -1.655 -0.853) 1.866 2.729 ( -0.189 -2.396 -1.713) 2.952 2.744 ( 1.220 -0.625 0.457) 1.445 2.831 ( 0.359 1.343 2.361) 2.740 2.859 ( -0.516 2.292 -0.951) 2.534 2.873 ( 0.161 -1.197 0.630) 1.363 2.917 ( 0.138 1.671 0.091) 1.680 2.969 ( 1.565 -0.450 -1.298) 2.082 3.039 ( -0.571 3.661 0.347) 3.721 3.069 ( 1.388 2.531 -0.839) 3.006 3.094 ( -0.185 0.870 -0.587) 1.066 3.145 ( -0.062 0.400 2.212) 2.248 3.154 ( 1.130 -2.135 -1.554) 2.872 3.186 ( -1.913 1.990 2.827) 3.951 3.198 ( 1.068 4.191 -2.585) 5.039 3.248 ( 0.973 -2.221 -2.144) 3.237 3.273 ( 0.086 -2.960 -0.295) 2.976 3.295 ( -2.124 1.140 -0.202) 2.419 3.310 ( -1.509 2.361 -1.111) 3.014 3.322 ( -0.796 1.610 0.310) 1.822 3.370 ( -1.525 2.542 -1.434) 3.293 3.382 ( -3.334 -0.939 2.883) 4.507 3.447 ( 4.276 0.733 2.370) 4.944 3.472 ( 0.258 1.070 -2.111) 2.381 3.505 ( 1.884 0.667 -3.108) 3.695 3.574 ( -0.924 2.340 -1.167) 2.773 3.605 ( -0.213 -1.437 2.760) 3.119 3.627 ( -0.380 0.214 0.914) 1.013 3.656 ( -0.991 -0.905 3.081) 3.360 3.714 ( -1.047 -1.563 -1.398) 2.344 3.757 ( -0.676 -2.175 0.043) 2.278 3.782 ( -3.195 -0.840 0.336) 3.320 3.792 ( 1.454 -0.200 -0.974) 1.761 3.824 ( -0.194 -0.778 -3.550) 3.639 3.900 ( 3.276 1.124 0.472) 3.496 3.924 ( -0.289 0.407 -0.900) 1.029 3.950 ( -2.749 -0.701 3.354) 4.393 3.990 ( 1.855 0.822 0.992) 2.258 4.016 ( 1.811 -1.129 -2.328) 3.158 4.030 ( 1.219 0.371 2.005) 2.376 4.084 ( 0.353 1.776 0.933) 2.037 4.111 ( 1.561 3.272 -1.516) 3.929 4.161 ( -1.026 -2.175 -1.439) 2.803 4.215 ( -1.204 1.369 1.103) 2.130 4.314 ( -3.722 0.204 -0.485) 3.759 4.381 ( 1.637 2.552 2.719) 4.073 4.421 ( 1.006 0.346 0.816) 1.341 4.480 ( -0.914 -0.989 2.062) 2.463 4.558 ( 2.067 1.484 -0.214) 2.554 4.587 ( 0.560 -1.989 0.676) 2.174 4.640 ( -2.185 -2.007 -2.842) 4.108 4.789 ( -2.998 -2.904 -2.703) 4.972 5.328 ( 1.328 0.423 -0.406) 1.452 5.396 ( -1.155 0.281 1.032) 1.574 5.750 ( 1.472 1.657 -0.468) 2.265 5.841 ( -1.036 0.344 0.036) 1.092 11.153 ( 0.089 -0.277 1.527) 1.554 11.270 ( -1.624 -0.258 -1.600) 2.294 13.865 ( 4.300 1.369 -1.226) 4.677 14.182 ( -3.609 5.817 1.431) 6.994 14.735 ( 1.411 -4.153 -0.833) 4.464 15.005 ( -5.256 -9.249 -0.614) 10.656 16.268 ( 3.484 1.247 1.868) 4.146 16.387 ( 1.082 -0.067 -0.909) 1.415 16.968 ( -1.281 0.144 3.126) 3.381 17.109 ( -3.755 -0.509 -4.701) 6.038 17.538 ( 13.566 8.372 -0.945) 15.969 18.010 ( -4.711 4.865 3.661) 7.698 ======================= Grid point 87 (42/47) ======================= q-point: (-0.33 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 2.433 2.192 -0.009) 3.275 0.800 ( -2.112 -0.572 -0.222) 2.199 0.844 ( 0.534 6.224 1.599) 6.448 0.865 ( -1.521 5.526 2.041) 6.084 0.941 ( 1.700 -1.063 -1.257) 2.366 0.979 ( -1.340 -0.639 1.624) 2.200 1.043 ( -0.513 2.747 4.483) 5.283 1.082 ( 0.556 3.773 -5.142) 6.402 1.151 ( 1.001 -2.874 1.574) 3.426 1.169 ( 2.200 -1.221 -1.233) 2.802 1.210 ( 1.609 4.684 1.262) 5.111 1.298 ( -0.776 3.654 -1.118) 3.900 1.366 ( 0.698 1.094 0.084) 1.301 1.439 ( -2.006 3.034 0.598) 3.685 1.556 ( 1.435 -2.052 -0.027) 2.505 1.606 ( -2.675 0.225 -2.058) 3.383 1.661 ( 2.037 1.109 0.271) 2.335 1.696 ( 0.001 -0.000 1.122) 1.122 1.748 ( 0.787 -3.896 1.298) 4.181 1.771 ( -0.373 -0.637 3.724) 3.797 1.822 ( 2.161 1.746 0.514) 2.826 1.881 ( 0.183 -2.447 -5.065) 5.629 1.917 ( 2.139 1.754 0.322) 2.785 1.941 ( -0.783 0.956 2.860) 3.116 1.964 ( 0.851 1.407 -2.006) 2.594 2.016 ( -4.576 0.677 0.498) 4.653 2.059 ( 0.756 -0.749 -0.956) 1.431 2.097 ( -0.929 0.577 -2.010) 2.288 2.173 ( -1.637 -0.369 -1.475) 2.234 2.188 ( -2.060 0.288 -2.758) 3.454 2.281 ( 2.578 0.843 -0.899) 2.857 2.348 ( -0.104 4.270 1.612) 4.566 2.370 ( -3.084 -2.298 1.486) 4.123 2.416 ( -4.047 4.608 0.026) 6.133 2.442 ( -2.333 -1.418 5.883) 6.486 2.478 ( -1.911 1.720 -5.089) 5.702 2.604 ( 3.161 0.105 0.949) 3.302 2.618 ( 2.243 -1.539 2.901) 3.977 2.662 ( 0.291 -3.796 -1.924) 4.265 2.693 ( -0.974 0.523 -1.566) 1.917 2.716 ( 0.308 -0.895 0.236) 0.975 2.757 ( -1.434 -5.509 0.868) 5.759 2.803 ( 1.963 -0.482 -1.461) 2.494 2.821 ( 1.554 -0.862 0.341) 1.810 2.833 ( -0.776 -0.561 1.510) 1.788 2.877 ( 1.611 -0.143 -1.662) 2.319 2.905 ( -2.922 0.258 -1.094) 3.130 2.916 ( -1.401 3.735 1.017) 4.117 2.972 ( -0.452 3.571 -0.477) 3.631 3.002 ( -1.765 2.014 0.097) 2.679 3.112 ( -0.097 1.055 3.227) 3.396 3.129 ( -0.077 1.272 -2.327) 2.653 3.158 ( 1.905 -1.310 1.451) 2.729 3.176 ( 0.353 -1.530 -1.055) 1.891 3.231 ( 2.720 2.288 -1.934) 4.046 3.249 ( 2.114 -2.252 -1.131) 3.290 3.273 ( 0.193 0.093 -0.947) 0.971 3.278 ( -0.389 1.366 -0.955) 1.712 3.308 ( -1.841 -1.070 0.920) 2.320 3.323 ( -1.909 -0.403 0.553) 2.028 3.351 ( 1.513 -2.467 -0.402) 2.922 3.402 ( -2.251 -3.546 1.275) 4.389 3.474 ( 1.918 0.362 1.441) 2.427 3.477 ( 2.129 -0.802 -1.422) 2.683 3.551 ( 3.970 -1.353 -1.572) 4.479 3.601 ( 2.615 -2.440 -0.665) 3.638 3.628 ( 0.114 -2.209 -0.345) 2.239 3.635 ( -1.354 -3.966 1.780) 4.553 3.695 ( 0.317 -1.607 3.761) 4.102 3.732 ( -1.522 -1.090 -0.077) 1.874 3.763 ( -1.548 -1.865 1.092) 2.659 3.783 ( -0.052 -0.791 0.410) 0.892 3.810 ( 1.045 -0.571 -1.766) 2.130 3.823 ( 1.070 -0.011 -2.540) 2.756 3.866 ( -0.409 2.130 -0.129) 2.173 3.904 ( -4.201 0.805 2.251) 4.834 3.974 ( 3.461 -0.922 0.723) 3.654 3.987 ( 1.492 1.902 -0.539) 2.477 4.011 ( 0.884 1.114 -3.218) 3.518 4.049 ( 1.360 0.471 0.481) 1.517 4.067 ( 1.262 2.098 -0.326) 2.470 4.086 ( 1.427 1.450 4.853) 5.263 4.134 ( -5.018 3.358 -0.965) 6.114 4.197 ( 1.198 -2.089 -0.367) 2.436 4.297 ( -4.013 2.922 -6.787) 8.408 4.304 ( -3.371 -2.663 2.102) 4.782 4.473 ( 2.500 0.372 4.474) 5.139 4.499 ( 1.376 0.315 1.432) 2.011 4.557 ( 1.975 -0.081 -0.665) 2.085 4.601 ( 0.818 -0.329 -1.676) 1.894 4.691 ( 0.100 -3.609 4.444) 5.726 4.781 ( -3.661 -2.774 -3.628) 5.854 5.339 ( 1.754 0.033 0.158) 1.761 5.383 ( -1.427 -0.289 -0.484) 1.535 5.753 ( 2.160 0.627 -0.062) 2.250 5.812 ( -2.394 0.508 -0.041) 2.447 11.177 ( 1.565 -0.714 1.818) 2.503 11.243 ( -2.239 -0.452 -2.427) 3.332 13.951 ( 5.138 -2.801 9.588) 11.233 14.105 ( -2.021 -1.300 -6.613) 7.036 14.846 ( 8.053 -3.759 -3.333) 9.491 15.043 ( -7.948 -5.597 2.621) 10.068 16.306 ( 4.631 0.858 1.258) 4.874 16.380 ( -0.540 0.978 -0.556) 1.248 16.952 ( -0.464 0.971 -0.039) 1.077 17.028 ( -5.395 1.784 -1.693) 5.929 17.534 ( 10.460 10.247 0.408) 14.649 17.818 ( -12.009 7.800 -1.121) 14.364 ======================= Grid point 88 (43/47) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 1.979 5.522 -6.999) 9.132 0.695 ( -1.979 5.522 6.999) 9.132 0.798 ( 0.549 2.959 -6.879) 7.509 0.798 ( -0.549 2.959 6.879) 7.509 0.951 ( 2.608 4.413 -3.477) 6.194 0.951 ( -2.608 4.413 3.477) 6.194 1.009 ( -1.986 0.356 -1.897) 2.770 1.009 ( 1.986 0.356 1.897) 2.770 1.147 ( 0.053 2.443 -0.437) 2.483 1.147 ( -0.053 2.443 0.437) 2.483 1.278 ( 1.751 -3.210 -3.943) 5.378 1.278 ( -1.751 -3.210 3.943) 5.378 1.356 ( -4.676 1.783 -0.001) 5.005 1.356 ( 4.676 1.783 0.001) 5.005 1.582 ( 0.449 4.100 -6.697) 7.865 1.582 ( -0.449 4.100 6.697) 7.865 1.667 ( 0.299 -0.340 -2.086) 2.134 1.667 ( -0.299 -0.340 2.086) 2.134 1.790 ( -1.101 2.786 -4.932) 5.771 1.790 ( 1.101 2.786 4.932) 5.771 1.823 ( 0.226 -0.124 -2.601) 2.613 1.823 ( -0.226 -0.124 2.601) 2.613 1.918 ( -1.646 0.950 -0.637) 2.005 1.918 ( 1.646 0.950 0.637) 2.005 1.945 ( 0.453 1.488 -3.364) 3.706 1.945 ( -0.453 1.488 3.364) 3.706 2.069 ( -0.092 0.018 -1.182) 1.186 2.069 ( 0.092 0.018 1.182) 1.186 2.169 ( 1.131 -0.223 -2.638) 2.879 2.169 ( -1.131 -0.223 2.638) 2.879 2.286 ( -1.120 1.074 -4.602) 4.856 2.286 ( 1.120 1.074 4.602) 4.856 2.392 ( -0.413 -2.735 -4.885) 5.614 2.392 ( 0.413 -2.735 4.885) 5.614 2.457 ( 1.899 -0.745 -7.017) 7.308 2.457 ( -1.899 -0.745 7.017) 7.308 2.601 ( 0.538 3.683 -1.623) 4.061 2.601 ( -0.538 3.683 1.623) 4.061 2.690 ( -2.413 3.298 -2.413) 4.746 2.690 ( 2.413 3.298 2.413) 4.746 2.711 ( -0.673 0.549 -3.583) 3.687 2.711 ( 0.673 0.549 3.583) 3.687 2.801 ( -2.308 2.538 -0.680) 3.498 2.801 ( 2.308 2.538 0.680) 3.498 2.886 ( 2.362 -0.646 -2.298) 3.358 2.886 ( -2.362 -0.646 2.298) 3.358 2.940 ( -1.722 -3.441 -1.027) 3.983 2.940 ( 1.722 -3.441 1.027) 3.983 2.967 ( -1.093 -3.499 -2.288) 4.321 2.967 ( 1.093 -3.499 2.288) 4.321 3.082 ( 0.303 3.500 -3.152) 4.720 3.082 ( -0.303 3.500 3.152) 4.720 3.181 ( -0.626 0.529 -2.681) 2.804 3.181 ( 0.626 0.529 2.681) 2.804 3.252 ( 1.151 -2.029 -1.264) 2.654 3.252 ( -1.151 -2.029 1.264) 2.654 3.296 ( -0.088 -0.973 -0.878) 1.313 3.296 ( 0.088 -0.973 0.878) 1.313 3.322 ( 0.259 -3.132 -1.983) 3.716 3.322 ( -0.259 -3.132 1.983) 3.716 3.419 ( -1.944 -1.990 -0.939) 2.936 3.419 ( 1.944 -1.990 0.939) 2.936 3.496 ( 0.046 -0.847 -0.587) 1.032 3.496 ( -0.046 -0.847 0.587) 1.032 3.624 ( 1.592 -0.520 -1.788) 2.449 3.624 ( -1.592 -0.520 1.788) 2.449 3.692 ( 3.437 -1.833 -2.836) 4.818 3.692 ( -3.437 -1.833 2.836) 4.818 3.706 ( -1.737 -0.858 -0.977) 2.169 3.706 ( 1.737 -0.858 0.977) 2.169 3.803 ( 0.114 0.112 -2.630) 2.635 3.803 ( -0.114 0.112 2.630) 2.635 3.823 ( -0.412 -2.402 -5.594) 6.102 3.823 ( 0.412 -2.402 5.594) 6.102 3.869 ( 1.737 -0.937 -5.005) 5.380 3.869 ( -1.737 -0.937 5.005) 5.380 3.992 ( 0.287 0.562 -2.384) 2.467 3.992 ( -0.287 0.562 2.384) 2.467 4.015 ( -3.288 1.904 -2.763) 4.698 4.015 ( 3.288 1.904 2.763) 4.698 4.041 ( -2.203 1.838 -1.258) 3.133 4.041 ( 2.203 1.838 1.258) 3.133 4.148 ( -6.352 0.171 -7.333) 9.703 4.148 ( 6.352 0.171 7.333) 9.703 4.304 ( 0.655 -2.911 -2.221) 3.720 4.304 ( -0.655 -2.911 2.221) 3.720 4.482 ( 0.618 1.192 -4.219) 4.428 4.482 ( -0.618 1.192 4.219) 4.428 4.599 ( -1.030 0.085 -0.616) 1.203 4.599 ( 1.030 0.085 0.616) 1.203 4.771 ( -1.195 -2.535 -5.461) 6.138 4.771 ( 1.195 -2.535 5.461) 6.138 5.372 ( -0.437 -1.252 -3.957) 4.173 5.372 ( 0.437 -1.252 3.957) 4.173 5.778 ( -2.177 -0.184 -0.372) 2.216 5.778 ( 2.177 -0.184 0.372) 2.216 11.223 ( -2.013 -1.399 -1.761) 3.019 11.223 ( 2.013 -1.399 1.761) 3.019 14.116 ( -1.571 -6.878 -13.266) 15.026 14.116 ( 1.571 -6.878 13.266) 15.026 15.014 ( 9.701 -3.873 -11.236) 15.341 15.014 ( -9.701 -3.873 11.236) 15.341 16.340 ( -1.564 1.754 -2.484) 3.420 16.340 ( 1.564 1.754 2.484) 3.420 16.945 ( 2.102 1.069 -5.395) 5.888 16.945 ( -2.102 1.069 5.395) 5.888 17.493 ( -8.083 12.101 -6.345) 15.876 17.493 ( 8.083 12.101 6.345) 15.876 ======================= Grid point 92 (44/47) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 47 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 0.875 0.000 -0.625) 1.075 0.714 ( -0.418 -0.000 -2.066) 2.108 0.833 ( 0.678 0.000 -2.696) 2.780 0.854 ( 13.753 0.000 6.007) 15.008 0.902 ( -1.772 -0.000 -2.205) 2.829 0.969 ( 3.781 0.000 -3.757) 5.331 1.037 ( -0.324 -0.000 0.799) 0.862 1.139 ( 4.775 0.000 4.570) 6.610 1.152 ( 2.267 0.000 3.759) 4.390 1.201 ( 4.132 0.000 1.860) 4.531 1.326 ( 5.126 0.000 -2.302) 5.619 1.422 ( 1.211 0.000 -0.699) 1.398 1.451 ( 1.556 0.000 -2.630) 3.056 1.519 ( 4.641 0.000 1.590) 4.906 1.584 ( -2.280 -0.000 -1.982) 3.021 1.588 ( 0.253 0.000 1.630) 1.650 1.634 ( 0.135 0.000 -1.810) 1.815 1.635 ( 1.863 0.000 4.603) 4.966 1.729 ( 1.220 0.000 1.795) 2.171 1.730 ( -6.233 -0.000 -4.076) 7.447 1.761 ( 1.184 0.000 -2.681) 2.931 1.864 ( -3.208 -0.000 -2.477) 4.053 1.905 ( 0.141 0.000 5.865) 5.866 1.957 ( -0.763 -0.000 0.924) 1.198 1.981 ( -2.863 -0.000 0.674) 2.942 2.028 ( 0.658 0.000 -1.434) 1.578 2.087 ( 2.849 0.000 -5.042) 5.791 2.106 ( -0.988 -0.000 -1.573) 1.858 2.113 ( -2.603 -0.000 -2.023) 3.296 2.155 ( -0.728 -0.000 2.693) 2.790 2.230 ( 4.448 0.000 -1.685) 4.756 2.294 ( -0.947 -0.000 0.301) 0.994 2.313 ( -2.141 -0.000 1.212) 2.460 2.381 ( -1.525 -0.000 0.574) 1.629 2.446 ( 3.096 0.000 -3.733) 4.850 2.453 ( -3.482 -0.000 2.269) 4.155 2.502 ( 0.564 0.000 0.752) 0.940 2.572 ( 0.277 0.000 4.420) 4.429 2.620 ( 0.029 0.000 0.656) 0.657 2.625 ( 2.751 0.000 -2.460) 3.690 2.655 ( 0.685 0.000 -3.387) 3.456 2.678 ( -1.526 -0.000 2.670) 3.075 2.734 ( -0.374 -0.000 4.115) 4.132 2.805 ( -0.038 -0.000 5.795) 5.795 2.856 ( 2.335 0.000 -6.590) 6.991 2.884 ( -2.811 -0.000 -4.116) 4.984 2.921 ( 3.547 0.000 0.311) 3.560 2.925 ( 5.003 0.000 -1.193) 5.143 3.051 ( 2.032 0.000 -0.442) 2.080 3.099 ( -1.563 -0.000 0.293) 1.591 3.131 ( -2.488 -0.000 4.670) 5.292 3.146 ( 1.088 0.000 -0.198) 1.106 3.156 ( -1.543 -0.000 1.273) 2.000 3.161 ( -0.327 -0.000 -2.440) 2.462 3.245 ( -0.178 -0.000 -0.318) 0.364 3.255 ( 0.600 0.000 -0.617) 0.860 3.260 ( -1.044 -0.000 3.431) 3.586 3.337 ( 1.155 0.000 0.953) 1.498 3.358 ( -1.791 -0.000 0.228) 1.806 3.362 ( -2.690 -0.000 0.068) 2.691 3.403 ( -3.227 -0.000 -1.882) 3.735 3.426 ( -0.486 -0.000 -0.548) 0.732 3.507 ( -0.749 -0.000 2.109) 2.238 3.512 ( -4.369 -0.000 1.027) 4.488 3.543 ( -2.209 -0.000 0.190) 2.218 3.570 ( 1.974 0.000 0.474) 2.030 3.644 ( -3.471 -0.000 -3.360) 4.831 3.671 ( -1.278 -0.000 3.143) 3.393 3.676 ( -1.797 -0.000 -1.304) 2.220 3.720 ( -1.157 -0.000 -0.771) 1.390 3.728 ( 0.391 0.000 -3.710) 3.731 3.737 ( 3.873 0.000 -0.354) 3.889 3.738 ( -2.000 -0.000 -0.155) 2.006 3.840 ( -5.763 -0.000 1.207) 5.888 3.875 ( 2.877 0.000 -5.208) 5.949 3.908 ( -1.347 -0.000 1.398) 1.941 3.953 ( 0.919 0.000 -2.201) 2.385 3.971 ( 3.766 0.000 3.983) 5.482 3.991 ( 3.207 0.000 -0.419) 3.234 4.041 ( -2.941 -0.000 3.371) 4.473 4.083 ( 0.657 0.000 -0.864) 1.086 4.090 ( -1.555 -0.000 2.029) 2.556 4.223 ( 0.400 0.000 0.820) 0.913 4.249 ( 3.343 0.000 0.367) 3.363 4.336 ( -5.477 -0.000 -0.907) 5.552 4.400 ( 1.148 0.000 -0.352) 1.201 4.449 ( 3.585 0.000 6.597) 7.508 4.460 ( 0.265 0.000 -0.695) 0.743 4.539 ( 1.632 0.000 0.854) 1.842 4.580 ( -5.000 -0.000 -3.074) 5.869 4.623 ( 0.137 0.000 -2.733) 2.737 4.717 ( -2.602 -0.000 -4.030) 4.797 5.327 ( 2.826 0.000 -2.119) 3.532 5.418 ( -2.188 -0.000 3.368) 4.017 5.790 ( 1.537 0.000 -1.716) 2.304 5.845 ( -0.727 -0.000 0.751) 1.045 11.149 ( -0.740 -0.000 1.897) 2.036 11.264 ( -1.766 -0.000 -1.605) 2.386 13.917 ( 4.904 0.000 -8.271) 9.615 14.418 ( -16.086 -0.000 4.787) 16.783 14.663 ( -1.548 -0.000 7.782) 7.935 14.673 ( 5.001 0.000 -8.240) 9.639 16.294 ( 2.385 0.000 5.251) 5.768 16.384 ( 3.033 0.000 -5.042) 5.884 16.967 ( -1.398 -0.000 9.936) 10.034 17.095 ( 0.765 0.000 -10.241) 10.270 17.717 ( 16.586 0.000 -8.434) 18.607 18.105 ( -4.898 -0.000 14.245) 15.063 ======================= Grid point 93 (45/47) ======================= q-point: ( 0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 1.504 -2.418 -2.165) 3.577 0.732 ( -1.444 -3.542 1.218) 4.014 0.829 ( 2.364 0.171 -3.480) 4.211 0.888 ( -3.892 -3.057 1.929) 5.312 0.968 ( 2.121 1.795 -1.044) 2.968 0.994 ( -1.527 3.092 2.810) 4.448 1.081 ( 11.750 -1.540 6.340) 13.440 1.203 ( 6.874 3.347 1.136) 7.730 1.208 ( 1.003 -2.776 -0.089) 2.953 1.280 ( 0.854 3.313 1.994) 3.960 1.285 ( -0.219 3.450 -0.989) 3.595 1.356 ( 3.035 4.312 -2.617) 5.886 1.463 ( -0.620 4.848 -1.843) 5.223 1.527 ( -0.296 -2.083 0.817) 2.257 1.535 ( -2.419 2.209 -0.688) 3.347 1.591 ( -2.090 -1.161 -0.240) 2.403 1.643 ( -1.029 -2.304 1.175) 2.783 1.658 ( -0.873 -3.856 0.794) 4.033 1.709 ( 1.070 3.463 0.217) 3.631 1.750 ( 1.364 -4.683 -2.775) 5.612 1.774 ( -0.999 1.155 -1.234) 1.964 1.830 ( -1.091 -1.066 -1.604) 2.213 1.897 ( 1.247 0.320 2.990) 3.255 1.946 ( -2.317 -0.666 1.142) 2.668 1.996 ( 0.838 -1.291 -1.722) 2.310 2.028 ( -0.976 0.064 -1.400) 1.708 2.062 ( -0.702 -0.051 -0.842) 1.097 2.077 ( -0.929 1.146 -1.192) 1.896 2.113 ( 1.286 -0.434 -1.733) 2.201 2.146 ( -1.908 0.318 2.578) 3.223 2.260 ( 1.785 -0.384 -3.058) 3.562 2.303 ( -2.711 -3.020 0.946) 4.167 2.361 ( 1.664 -4.287 -1.311) 4.782 2.400 ( -1.822 -3.434 1.794) 4.281 2.459 ( 1.483 -1.949 0.079) 2.451 2.464 ( -0.830 -2.096 2.305) 3.224 2.545 ( 2.124 -1.096 -0.866) 2.542 2.566 ( -0.110 1.275 1.492) 1.966 2.627 ( 0.437 -0.239 -0.614) 0.790 2.628 ( 0.005 1.719 1.320) 2.168 2.654 ( 0.414 -1.019 0.800) 1.360 2.687 ( -1.184 -1.664 -1.379) 2.464 2.760 ( 1.231 -1.027 3.141) 3.526 2.816 ( -1.518 -0.875 -1.226) 2.139 2.876 ( 1.350 -0.840 -2.015) 2.567 2.888 ( 0.117 -2.882 -0.712) 2.971 2.939 ( 3.858 2.755 -0.384) 4.756 2.987 ( 3.834 -0.098 -1.702) 4.196 3.068 ( -3.774 0.766 3.645) 5.303 3.082 ( -1.989 0.003 1.649) 2.584 3.101 ( 1.980 0.888 -1.255) 2.507 3.134 ( -0.303 1.641 -1.319) 2.127 3.144 ( 0.170 -0.411 0.830) 0.942 3.185 ( -1.125 -2.279 0.221) 2.551 3.235 ( 0.139 2.099 1.828) 2.787 3.248 ( -0.081 -1.562 -1.240) 1.996 3.270 ( 1.658 0.947 -0.951) 2.133 3.294 ( -2.304 2.696 0.472) 3.577 3.316 ( -1.805 1.828 1.194) 2.833 3.339 ( -1.462 1.421 -2.221) 3.015 3.376 ( 0.712 0.886 0.512) 1.247 3.402 ( -1.683 3.275 0.628) 3.735 3.463 ( -0.618 -0.170 -1.507) 1.638 3.487 ( 0.625 -0.433 1.182) 1.406 3.516 ( -2.144 0.410 -2.728) 3.494 3.573 ( -4.168 -0.693 0.321) 4.237 3.582 ( 2.609 1.729 -0.956) 3.273 3.633 ( -0.904 2.990 1.603) 3.511 3.667 ( -1.121 -1.415 0.752) 1.955 3.705 ( -0.021 0.581 -1.656) 1.755 3.726 ( -0.350 -1.293 -1.789) 2.236 3.747 ( 0.334 0.405 3.309) 3.350 3.777 ( -0.251 -0.611 0.746) 0.997 3.822 ( 1.352 -1.640 -1.039) 2.366 3.891 ( 0.993 -1.104 -0.224) 1.502 3.913 ( -0.837 0.097 -0.989) 1.299 3.969 ( 0.000 -1.512 0.683) 1.659 3.997 ( -1.316 -0.179 0.950) 1.633 4.027 ( 2.454 0.359 -1.243) 2.774 4.040 ( 1.340 0.036 0.997) 1.671 4.100 ( 0.680 -2.042 1.723) 2.757 4.106 ( 0.747 -2.201 0.809) 2.461 4.190 ( 0.180 3.501 0.096) 3.507 4.255 ( -4.791 1.925 -1.310) 5.327 4.270 ( 2.352 1.929 1.544) 3.411 4.390 ( -3.629 2.316 -3.198) 5.363 4.465 ( 0.719 -1.634 1.478) 2.318 4.488 ( 1.346 0.321 2.992) 3.296 4.556 ( 0.685 -1.669 -2.674) 3.226 4.579 ( 1.565 -1.588 1.578) 2.732 4.601 ( 0.153 1.304 0.918) 1.602 4.692 ( -3.690 -2.557 -3.866) 5.924 5.353 ( 2.533 0.321 -1.352) 2.889 5.395 ( -1.904 0.871 1.938) 2.853 5.793 ( 1.868 1.226 -1.087) 2.485 5.832 ( -1.637 0.418 0.598) 1.792 11.162 ( 1.084 -0.284 2.786) 3.003 11.232 ( -2.417 -0.255 -2.869) 3.760 13.962 ( 8.518 1.962 -2.499) 9.091 14.198 ( -11.284 5.253 2.297) 12.657 14.696 ( 3.444 -3.796 0.505) 5.150 14.791 ( -3.130 -8.962 -1.355) 9.589 16.335 ( 2.506 0.646 4.719) 5.382 16.391 ( 0.892 0.076 -4.306) 4.398 16.987 ( -0.700 0.635 9.117) 9.166 17.058 ( -0.770 0.468 -9.499) 9.541 17.814 ( 13.545 6.305 -6.007) 16.103 18.030 ( -8.580 4.495 7.720) 12.386 ======================= Grid point 94 (46/47) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 41 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 2.460 -1.539 -4.611) 5.449 0.761 ( -2.460 -1.539 4.611) 5.449 0.890 ( 3.909 -2.432 -2.907) 5.445 0.890 ( -3.909 -2.432 2.907) 5.445 0.962 ( -0.171 0.673 -3.069) 3.146 0.962 ( 0.171 0.673 3.069) 3.146 1.106 ( -1.464 7.262 -2.689) 7.881 1.106 ( 1.464 7.262 2.689) 7.881 1.218 ( -1.662 2.488 -2.982) 4.224 1.218 ( 1.662 2.488 2.982) 4.224 1.325 ( 3.149 3.410 -2.480) 5.262 1.325 ( -3.149 3.410 2.480) 5.262 1.410 ( -6.551 1.002 -1.452) 6.784 1.410 ( 6.551 1.002 1.452) 6.784 1.577 ( -2.327 0.020 -1.595) 2.821 1.577 ( 2.327 0.020 1.595) 2.821 1.685 ( 2.012 -0.510 -2.947) 3.605 1.685 ( -2.012 -0.510 2.947) 3.605 1.732 ( -3.420 -1.295 -1.065) 3.809 1.732 ( 3.420 -1.295 1.065) 3.809 1.827 ( 2.323 -2.973 -3.006) 4.824 1.827 ( -2.323 -2.973 3.006) 4.824 1.955 ( 1.973 -1.621 -1.843) 3.149 1.955 ( -1.973 -1.621 1.843) 3.149 1.990 ( 0.034 2.624 -3.162) 4.109 1.990 ( -0.034 2.624 3.162) 4.109 2.056 ( 1.302 -1.140 -2.836) 3.322 2.056 ( -1.302 -1.140 2.836) 3.322 2.145 ( -0.313 -1.888 -2.140) 2.871 2.145 ( 0.313 -1.888 2.140) 2.871 2.304 ( 2.954 -1.450 -6.220) 7.037 2.304 ( -2.954 -1.450 6.220) 7.037 2.408 ( 0.374 -0.244 -3.485) 3.513 2.408 ( -0.374 -0.244 3.485) 3.513 2.496 ( -1.239 2.044 -2.870) 3.735 2.496 ( 1.239 2.044 2.870) 3.735 2.584 ( 0.333 -4.274 -3.356) 5.444 2.584 ( -0.333 -4.274 3.356) 5.444 2.634 ( 0.553 -1.715 -2.906) 3.419 2.634 ( -0.553 -1.715 2.906) 3.419 2.683 ( -1.109 -1.444 -2.631) 3.200 2.683 ( 1.109 -1.444 2.631) 3.200 2.801 ( -1.813 -0.601 -0.965) 2.140 2.801 ( 1.813 -0.601 0.965) 2.140 2.887 ( -0.713 1.048 -2.036) 2.398 2.887 ( 0.713 1.048 2.036) 2.398 2.932 ( -2.768 3.684 -2.104) 5.066 2.932 ( 2.768 3.684 2.104) 5.066 3.040 ( 1.115 3.456 -4.003) 5.405 3.040 ( -1.115 3.456 4.003) 5.405 3.120 ( -1.176 -1.325 -2.410) 2.991 3.120 ( 1.176 -1.325 2.410) 2.991 3.178 ( 1.166 -0.390 -2.789) 3.047 3.178 ( -1.166 -0.390 2.789) 3.047 3.229 ( 0.424 0.566 -2.658) 2.750 3.229 ( -0.424 0.566 2.658) 2.750 3.275 ( 0.325 -0.992 -1.697) 1.993 3.275 ( -0.325 -0.992 1.697) 1.993 3.322 ( 0.232 -0.303 -0.878) 0.957 3.322 ( -0.232 -0.303 0.878) 0.957 3.345 ( 0.285 1.559 -1.246) 2.016 3.345 ( -0.285 1.559 1.246) 2.016 3.484 ( 2.955 -1.150 -1.582) 3.544 3.484 ( -2.955 -1.150 1.582) 3.544 3.557 ( 0.722 -1.128 -2.134) 2.520 3.557 ( -0.722 -1.128 2.134) 2.520 3.587 ( 0.168 -1.112 -1.170) 1.623 3.587 ( -0.168 -1.112 1.170) 1.623 3.701 ( 0.032 -1.225 -1.375) 1.842 3.701 ( -0.032 -1.225 1.375) 1.842 3.738 ( 0.316 -1.067 -2.577) 2.807 3.738 ( -0.316 -1.067 2.577) 2.807 3.824 ( -1.636 -0.359 -3.589) 3.960 3.824 ( 1.636 -0.359 3.589) 3.960 3.889 ( 1.822 1.159 -4.929) 5.381 3.889 ( -1.822 1.159 4.929) 5.381 3.992 ( -0.339 -0.093 -4.449) 4.463 3.992 ( 0.339 -0.093 4.449) 4.463 4.041 ( -1.176 -0.340 -0.412) 1.291 4.041 ( 1.176 -0.340 0.412) 1.291 4.144 ( -1.995 3.467 -0.582) 4.042 4.144 ( 1.995 3.467 0.582) 4.042 4.161 ( -0.920 -0.720 -1.680) 2.046 4.161 ( 0.920 -0.720 1.680) 2.046 4.278 ( -2.329 1.949 -4.944) 5.802 4.278 ( 2.329 1.949 4.944) 5.802 4.507 ( -0.119 -0.792 -2.489) 2.615 4.507 ( 0.119 -0.792 2.489) 2.615 4.574 ( -1.124 -0.297 -2.065) 2.370 4.574 ( 1.124 -0.297 2.065) 2.370 4.674 ( -3.239 -3.057 -5.192) 6.840 4.674 ( 3.239 -3.057 5.192) 6.840 5.366 ( -1.683 0.592 0.338) 1.816 5.366 ( 1.683 0.592 -0.338) 1.816 5.796 ( -1.342 1.119 -0.393) 1.791 5.796 ( 1.342 1.119 0.393) 1.791 11.199 ( -2.146 -0.464 -3.028) 3.740 11.199 ( 2.146 -0.464 3.028) 3.740 14.034 ( -7.019 1.401 -3.637) 8.029 14.034 ( 7.019 1.401 3.637) 8.029 14.848 ( 0.881 -6.877 -8.747) 11.162 14.848 ( -0.881 -6.877 8.747) 11.162 16.367 ( -0.076 0.537 -5.231) 5.259 16.367 ( 0.076 0.537 5.231) 5.259 16.998 ( 1.593 1.559 -10.397) 10.633 16.998 ( -1.593 1.559 10.397) 10.633 17.822 ( -0.442 8.992 -6.689) 11.215 17.822 ( 0.442 8.992 6.689) 11.215 ======================= Grid point 101 (47/47) ======================= q-point: ( 0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.337 0.000 -2.991) 3.010 0.690 ( -0.337 -0.000 2.991) 3.010 0.845 ( 1.923 0.000 -2.332) 3.023 0.845 ( -1.923 -0.000 2.332) 3.023 1.016 ( 1.952 0.000 -2.255) 2.983 1.016 ( -1.952 -0.000 2.255) 2.983 1.162 ( -3.015 -0.000 -0.016) 3.016 1.162 ( 3.015 0.000 0.016) 3.016 1.318 ( -8.500 -0.000 -8.887) 12.298 1.318 ( 8.500 0.000 8.887) 12.298 1.365 ( -5.894 -0.000 0.774) 5.945 1.365 ( 5.894 0.000 -0.774) 5.945 1.485 ( -3.573 -0.000 -2.021) 4.105 1.485 ( 3.573 0.000 2.021) 4.105 1.547 ( -0.588 -0.000 -2.631) 2.696 1.547 ( 0.588 0.000 2.631) 2.696 1.599 ( 0.375 0.000 -0.604) 0.711 1.599 ( -0.375 -0.000 0.604) 0.711 1.749 ( -0.066 -0.000 -3.492) 3.493 1.749 ( 0.066 0.000 3.492) 3.493 1.793 ( 0.833 0.000 -0.476) 0.959 1.793 ( -0.833 -0.000 0.476) 0.959 1.910 ( -0.272 -0.000 -4.807) 4.814 1.910 ( 0.272 0.000 4.807) 4.814 2.005 ( -2.910 -0.000 -1.949) 3.502 2.005 ( 2.910 0.000 1.949) 3.502 2.066 ( 0.273 0.000 -0.456) 0.532 2.066 ( -0.273 -0.000 0.456) 0.532 2.141 ( 3.166 0.000 -5.203) 6.091 2.141 ( -3.166 -0.000 5.203) 6.091 2.280 ( 1.084 0.000 -1.528) 1.874 2.280 ( -1.084 -0.000 1.528) 1.874 2.323 ( -2.804 -0.000 -0.196) 2.811 2.323 ( 2.804 0.000 0.196) 2.811 2.441 ( 1.655 0.000 -1.128) 2.003 2.441 ( -1.655 -0.000 1.128) 2.003 2.586 ( 2.356 0.000 -0.921) 2.529 2.586 ( -2.356 -0.000 0.921) 2.529 2.641 ( -1.851 -0.000 0.258) 1.869 2.641 ( 1.851 0.000 -0.258) 1.869 2.653 ( 0.495 0.000 -2.731) 2.775 2.653 ( -0.495 -0.000 2.731) 2.775 2.773 ( -1.158 -0.000 -5.499) 5.620 2.773 ( 1.158 0.000 5.499) 5.620 2.857 ( 1.473 0.000 -6.568) 6.731 2.857 ( -1.473 -0.000 6.568) 6.731 3.013 ( -0.189 -0.000 -1.716) 1.726 3.013 ( 0.189 0.000 1.716) 1.726 3.062 ( 0.341 0.000 -0.134) 0.367 3.062 ( -0.341 -0.000 0.134) 0.367 3.129 ( -1.366 -0.000 -2.467) 2.820 3.129 ( 1.366 0.000 2.467) 2.820 3.160 ( -1.392 -0.000 0.350) 1.435 3.160 ( 1.392 0.000 -0.350) 1.435 3.233 ( -2.128 -0.000 0.411) 2.167 3.233 ( 2.128 0.000 -0.411) 2.167 3.289 ( -1.676 -0.000 -2.103) 2.689 3.289 ( 1.676 0.000 2.103) 2.689 3.336 ( 0.065 0.000 -2.339) 2.340 3.336 ( -0.065 -0.000 2.339) 2.340 3.413 ( -2.152 -0.000 -0.266) 2.169 3.413 ( 2.152 0.000 0.266) 2.169 3.457 ( -1.037 -0.000 -1.399) 1.742 3.457 ( 1.037 0.000 1.399) 1.742 3.523 ( -0.362 -0.000 -3.450) 3.469 3.523 ( 0.362 0.000 3.450) 3.469 3.620 ( -1.792 -0.000 -0.900) 2.005 3.620 ( 1.792 0.000 0.900) 2.005 3.687 ( -0.449 -0.000 -4.808) 4.829 3.687 ( 0.449 0.000 4.808) 4.829 3.739 ( -2.520 -0.000 0.831) 2.654 3.739 ( 2.520 0.000 -0.831) 2.654 3.795 ( -1.201 -0.000 -3.963) 4.141 3.795 ( 1.201 0.000 3.963) 4.141 3.906 ( -0.452 -0.000 -4.414) 4.437 3.906 ( 0.452 0.000 4.414) 4.437 3.955 ( 4.151 0.000 -1.922) 4.575 3.955 ( -4.151 -0.000 1.922) 4.575 4.054 ( 1.526 0.000 -0.624) 1.649 4.054 ( -1.526 -0.000 0.624) 1.649 4.095 ( -1.330 -0.000 -0.080) 1.333 4.095 ( 1.330 0.000 0.080) 1.333 4.217 ( -1.075 -0.000 -1.031) 1.490 4.217 ( 1.075 0.000 1.031) 1.490 4.357 ( -4.271 -0.000 -3.331) 5.416 4.357 ( 4.271 0.000 3.331) 5.416 4.461 ( 0.258 0.000 -0.959) 0.993 4.461 ( -0.258 -0.000 0.959) 0.993 4.594 ( -0.496 -0.000 -1.348) 1.436 4.594 ( 0.496 0.000 1.348) 1.436 4.610 ( -1.929 -0.000 -0.983) 2.166 4.610 ( 1.929 0.000 0.983) 2.166 5.382 ( 2.587 0.000 -1.786) 3.144 5.382 ( -2.587 -0.000 1.786) 3.144 5.819 ( 1.810 0.000 -1.368) 2.269 5.819 ( -1.810 -0.000 1.368) 2.269 11.191 ( -2.171 -0.000 -3.351) 3.993 11.191 ( 2.171 0.000 3.351) 3.993 14.097 ( -12.471 -0.000 2.756) 12.772 14.097 ( 12.471 0.000 -2.756) 12.772 14.695 ( 2.468 0.000 -10.780) 11.059 14.695 ( -2.468 -0.000 10.780) 11.059 16.376 ( -0.301 -0.000 -6.582) 6.589 16.376 ( 0.301 0.000 6.582) 6.589 17.025 ( 0.733 0.000 -12.581) 12.602 17.025 ( -0.733 -0.000 12.581) 12.602 17.982 ( 11.389 0.000 -9.260) 14.678 17.982 ( -11.389 -0.000 9.260) 14.679 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/15552 10.0 17.430 18.458 21.524 0.000 0.756 0.000 3/15552 20.0 4.382 4.514 5.674 0.000 0.246 0.000 3/15552 30.0 2.184 2.232 2.856 0.000 0.100 0.000 3/15552 40.0 1.417 1.446 1.859 0.000 0.052 0.000 3/15552 50.0 1.054 1.073 1.384 0.000 0.032 0.000 3/15552 60.0 0.846 0.859 1.112 0.000 0.023 0.000 3/15552 70.0 0.712 0.719 0.935 0.000 0.018 0.000 3/15552 80.0 0.617 0.621 0.810 0.000 0.014 0.000 3/15552 90.0 0.546 0.548 0.717 0.000 0.012 0.000 3/15552 100.0 0.492 0.491 0.644 0.000 0.010 0.000 3/15552 110.0 0.448 0.446 0.587 0.000 0.009 0.000 3/15552 120.0 0.413 0.408 0.539 0.000 0.008 0.000 3/15552 130.0 0.385 0.378 0.500 0.000 0.006 0.000 3/15552 140.0 0.360 0.351 0.467 0.000 0.005 0.000 3/15552 150.0 0.340 0.329 0.438 0.000 0.005 0.000 3/15552 160.0 0.322 0.310 0.413 0.000 0.004 0.000 3/15552 170.0 0.307 0.293 0.392 0.000 0.003 0.000 3/15552 180.0 0.293 0.278 0.372 0.000 0.002 0.000 3/15552 190.0 0.281 0.264 0.355 0.000 0.002 0.000 3/15552 200.0 0.270 0.252 0.340 0.000 0.001 0.000 3/15552 210.0 0.261 0.241 0.326 0.000 0.001 0.000 3/15552 220.0 0.252 0.231 0.313 0.000 0.000 0.000 3/15552 230.0 0.243 0.222 0.301 0.000 -0.000 0.000 3/15552 240.0 0.236 0.214 0.291 0.000 -0.000 0.000 3/15552 250.0 0.229 0.206 0.281 0.000 -0.001 0.000 3/15552 260.0 0.222 0.199 0.271 0.000 -0.001 0.000 3/15552 270.0 0.216 0.192 0.263 0.000 -0.001 0.000 3/15552 280.0 0.210 0.186 0.254 0.000 -0.001 0.000 3/15552 290.0 0.204 0.180 0.247 0.000 -0.002 0.000 3/15552 300.0 0.199 0.175 0.240 0.000 -0.002 0.000 3/15552 310.0 0.194 0.170 0.233 0.000 -0.002 0.000 3/15552 320.0 0.189 0.165 0.227 0.000 -0.002 0.000 3/15552 330.0 0.185 0.161 0.221 0.000 -0.002 0.000 3/15552 340.0 0.180 0.156 0.215 0.000 -0.002 0.000 3/15552 350.0 0.176 0.152 0.209 0.000 -0.002 0.000 3/15552 360.0 0.172 0.148 0.204 0.000 -0.002 0.000 3/15552 370.0 0.169 0.145 0.199 0.000 -0.002 0.000 3/15552 380.0 0.165 0.141 0.195 0.000 -0.002 0.000 3/15552 390.0 0.162 0.138 0.190 0.000 -0.002 0.000 3/15552 400.0 0.158 0.135 0.186 0.000 -0.003 0.000 3/15552 410.0 0.155 0.132 0.182 0.000 -0.003 0.000 3/15552 420.0 0.152 0.129 0.178 0.000 -0.003 0.000 3/15552 430.0 0.149 0.126 0.174 0.000 -0.003 0.000 3/15552 440.0 0.146 0.123 0.171 0.000 -0.003 0.000 3/15552 450.0 0.143 0.121 0.167 0.000 -0.003 0.000 3/15552 460.0 0.141 0.118 0.164 0.000 -0.003 0.000 3/15552 470.0 0.138 0.116 0.161 0.000 -0.003 0.000 3/15552 480.0 0.136 0.114 0.158 0.000 -0.003 0.000 3/15552 490.0 0.133 0.111 0.155 0.000 -0.003 0.000 3/15552 500.0 0.131 0.109 0.152 0.000 -0.003 0.000 3/15552 510.0 0.129 0.107 0.149 0.000 -0.003 0.000 3/15552 520.0 0.127 0.105 0.146 0.000 -0.003 0.000 3/15552 530.0 0.124 0.103 0.144 0.000 -0.003 0.000 3/15552 540.0 0.122 0.102 0.141 0.000 -0.003 0.000 3/15552 550.0 0.120 0.100 0.139 0.000 -0.003 0.000 3/15552 560.0 0.119 0.098 0.137 0.000 -0.002 0.000 3/15552 570.0 0.117 0.097 0.135 0.000 -0.002 0.000 3/15552 580.0 0.115 0.095 0.132 0.000 -0.002 0.000 3/15552 590.0 0.113 0.093 0.130 0.000 -0.002 0.000 3/15552 600.0 0.111 0.092 0.128 0.000 -0.002 0.000 3/15552 610.0 0.110 0.091 0.126 0.000 -0.002 0.000 3/15552 620.0 0.108 0.089 0.124 0.000 -0.002 0.000 3/15552 630.0 0.107 0.088 0.122 0.000 -0.002 0.000 3/15552 640.0 0.105 0.086 0.121 0.000 -0.002 0.000 3/15552 650.0 0.104 0.085 0.119 0.000 -0.002 0.000 3/15552 660.0 0.102 0.084 0.117 0.000 -0.002 0.000 3/15552 670.0 0.101 0.083 0.116 0.000 -0.002 0.000 3/15552 680.0 0.100 0.082 0.114 0.000 -0.002 0.000 3/15552 690.0 0.098 0.080 0.112 0.000 -0.002 0.000 3/15552 700.0 0.097 0.079 0.111 0.000 -0.002 0.000 3/15552 710.0 0.096 0.078 0.109 0.000 -0.002 0.000 3/15552 720.0 0.094 0.077 0.108 0.000 -0.002 0.000 3/15552 730.0 0.093 0.076 0.107 0.000 -0.002 0.000 3/15552 740.0 0.092 0.075 0.105 0.000 -0.002 0.000 3/15552 750.0 0.091 0.074 0.104 0.000 -0.002 0.000 3/15552 760.0 0.090 0.073 0.102 0.000 -0.002 0.000 3/15552 770.0 0.089 0.072 0.101 0.000 -0.002 0.000 3/15552 780.0 0.088 0.071 0.100 0.000 -0.002 0.000 3/15552 790.0 0.087 0.071 0.099 0.000 -0.002 0.000 3/15552 800.0 0.086 0.070 0.098 0.000 -0.002 0.000 3/15552 810.0 0.085 0.069 0.096 0.000 -0.002 0.000 3/15552 820.0 0.084 0.068 0.095 0.000 -0.002 0.000 3/15552 830.0 0.083 0.067 0.094 0.000 -0.002 0.000 3/15552 840.0 0.082 0.066 0.093 0.000 -0.002 0.000 3/15552 850.0 0.081 0.066 0.092 0.000 -0.002 0.000 3/15552 860.0 0.080 0.065 0.091 0.000 -0.002 0.000 3/15552 870.0 0.079 0.064 0.090 0.000 -0.002 0.000 3/15552 880.0 0.078 0.064 0.089 0.000 -0.002 0.000 3/15552 890.0 0.077 0.063 0.088 0.000 -0.002 0.000 3/15552 900.0 0.077 0.062 0.087 0.000 -0.002 0.000 3/15552 910.0 0.076 0.062 0.086 0.000 -0.002 0.000 3/15552 920.0 0.075 0.061 0.085 0.000 -0.002 0.000 3/15552 930.0 0.074 0.060 0.084 0.000 -0.002 0.000 3/15552 940.0 0.074 0.060 0.084 0.000 -0.002 0.000 3/15552 950.0 0.073 0.059 0.083 0.000 -0.002 0.000 3/15552 960.0 0.072 0.058 0.082 0.000 -0.002 0.000 3/15552 970.0 0.071 0.058 0.081 0.000 -0.002 0.000 3/15552 980.0 0.071 0.057 0.080 0.000 -0.002 0.000 3/15552 990.0 0.070 0.057 0.079 0.000 -0.002 0.000 3/15552 1000.0 0.069 0.056 0.079 0.000 -0.002 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m664.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:13:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|