----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:08:04]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.562798405000891 -6.508028954999999 0.000000000000000 b 5.562798405000891 6.508028954999999 0.000000000000000 c -1.904172672273125 0.000000000000000 5.425534711740705 Atomic positions (fractional): *1 O 0.24596560737635 0.46377518059527 0.23278266842788 15.999 2 O 0.53622481940473 0.75403439262365 0.76721733157212 15.999 3 O 0.75403439262365 0.53622481940473 0.76721733157212 15.999 4 O 0.46377518059527 0.24596560737635 0.23278266842788 15.999 *5 O 0.99088461961237 0.76795869920425 0.19161146638141 15.999 6 O 0.23204130079575 0.00911538038763 0.80838853361859 15.999 7 O 0.00911538038763 0.23204130079575 0.80838853361859 15.999 8 O 0.76795869920425 0.99088461961237 0.19161146638141 15.999 *9 O 0.65391521466276 0.65391521466276 0.20876198051058 15.999 10 O 0.34608478533724 0.34608478533724 0.79123801948942 15.999 *11 O 0.12449905124149 0.66611217930624 0.77255114724859 15.999 12 O 0.33388782069376 0.87550094875851 0.22744885275141 15.999 13 O 0.87550094875851 0.33388782069376 0.22744885275141 15.999 *14 O 0.88752958668845 0.88752958668845 0.80169387198119 15.999 15 O 0.11247041331155 0.11247041331155 0.19830612801881 15.999 16 O 0.66611217930624 0.12449905124149 0.77255114724859 15.999 *17 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 *18 Na 0.25900432661206 0.74099567338794 0.50000000000000 22.990 19 Na 0.74099567338794 0.25900432661206 0.50000000000000 22.990 *20 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 *21 Na 0.88055815168269 0.62792404840047 0.48038962081690 22.990 22 Na 0.37207595159953 0.11944184831731 0.51961037918310 22.990 23 Na 0.11944184831731 0.37207595159953 0.51961037918310 22.990 24 Na 0.62792404840047 0.88055815168269 0.48038962081690 22.990 *25 Na 0.62411128757480 0.37588871242520 0.00000000000000 22.990 26 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 27 Na 0.37588871242520 0.62411128757480 0.00000000000000 22.990 *28 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 *29 Nb 0.26089217743062 0.26089217743062 0.02921336800807 92.906 30 Nb 0.73910782256938 0.73910782256938 0.97078663199193 92.906 *31 Nb 0.13323549925212 0.86676450074788 0.00000000000000 92.906 32 Nb 0.86676450074788 0.13323549925212 0.00000000000000 92.906 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.125596810001783 0.000000000000000 0.000000000000000 b 0.000000000000000 13.016057909999997 0.000000000000000 c -1.904172672273125 0.000000000000000 5.425534711740705 Atomic positions (fractional): *1 O 0.35487039398581 0.10890478660946 0.23278266842788 15.999 > 1 2 O 0.64512960601419 0.10890478660946 0.76721733157212 15.999 > 2 3 O 0.64512960601419 0.89109521339054 0.76721733157212 15.999 > 3 4 O 0.35487039398581 0.89109521339054 0.23278266842788 15.999 > 4 *5 O 0.87942165940831 0.88853703979594 0.19161146638141 15.999 > 5 6 O 0.12057834059169 0.88853703979594 0.80838853361859 15.999 > 6 7 O 0.12057834059169 0.11146296020406 0.80838853361859 15.999 > 7 8 O 0.87942165940831 0.11146296020406 0.19161146638141 15.999 > 8 *9 O 0.65391521466276 0.00000000000000 0.20876198051058 15.999 > 9 10 O 0.34608478533724 0.00000000000000 0.79123801948942 15.999 > 10 *11 O 0.39530561527386 0.27080656403237 0.77255114724859 15.999 > 11 12 O 0.60469438472614 0.27080656403237 0.22744885275141 15.999 > 12 13 O 0.60469438472614 0.72919343596763 0.22744885275141 15.999 > 13 *14 O 0.88752958668845 0.00000000000000 0.80169387198119 15.999 > 14 15 O 0.11247041331155 0.00000000000000 0.19830612801881 15.999 > 15 16 O 0.39530561527386 0.72919343596763 0.77255114724859 15.999 > 16 17 O 0.85487039398581 0.60890478660946 0.23278266842788 15.999 > 1 18 O 0.14512960601419 0.60890478660946 0.76721733157212 15.999 > 2 19 O 0.14512960601419 0.39109521339054 0.76721733157212 15.999 > 3 20 O 0.85487039398581 0.39109521339054 0.23278266842788 15.999 > 4 21 O 0.37942165940831 0.38853703979594 0.19161146638141 15.999 > 5 22 O 0.62057834059169 0.38853703979594 0.80838853361859 15.999 > 6 23 O 0.62057834059169 0.61146296020406 0.80838853361859 15.999 > 7 24 O 0.37942165940831 0.61146296020406 0.19161146638141 15.999 > 8 25 O 0.15391521466276 0.50000000000000 0.20876198051058 15.999 > 9 26 O 0.84608478533724 0.50000000000000 0.79123801948942 15.999 > 10 27 O 0.89530561527386 0.77080656403237 0.77255114724859 15.999 > 11 28 O 0.10469438472614 0.77080656403237 0.22744885275141 15.999 > 12 29 O 0.10469438472614 0.22919343596763 0.22744885275141 15.999 > 13 30 O 0.38752958668845 0.50000000000000 0.80169387198119 15.999 > 14 31 O 0.61247041331155 0.50000000000000 0.19830612801881 15.999 > 15 32 O 0.89530561527386 0.22919343596763 0.77255114724859 15.999 > 16 *33 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 17 *34 Na 0.50000000000000 0.24099567338794 0.50000000000000 22.990 > 18 35 Na 0.50000000000000 0.75900432661206 0.50000000000000 22.990 > 19 *36 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 > 20 *37 Na 0.75424110004158 0.87368294835889 0.48038962081690 22.990 > 21 38 Na 0.24575889995842 0.87368294835889 0.51961037918310 22.990 > 22 39 Na 0.24575889995842 0.12631705164111 0.51961037918310 22.990 > 23 40 Na 0.75424110004158 0.12631705164111 0.48038962081690 22.990 > 24 *41 Na 0.50000000000000 0.87588871242520 0.00000000000000 22.990 > 25 42 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 26 43 Na 0.50000000000000 0.12411128757480 0.00000000000000 22.990 > 27 *44 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 28 45 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 17 46 Na 0.00000000000000 0.74099567338794 0.50000000000000 22.990 > 18 47 Na 0.00000000000000 0.25900432661206 0.50000000000000 22.990 > 19 48 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 20 49 Na 0.25424110004158 0.37368294835889 0.48038962081690 22.990 > 21 50 Na 0.74575889995842 0.37368294835889 0.51961037918310 22.990 > 22 51 Na 0.74575889995842 0.62631705164111 0.51961037918310 22.990 > 23 52 Na 0.25424110004158 0.62631705164111 0.48038962081690 22.990 > 24 53 Na 0.00000000000000 0.37588871242520 0.00000000000000 22.990 > 25 54 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 26 55 Na 0.00000000000000 0.62411128757480 0.00000000000000 22.990 > 27 56 Na 0.00000000000000 0.50000000000000 0.50000000000000 22.990 > 28 *57 Nb 0.26089217743062 0.00000000000000 0.02921336800807 92.906 > 29 58 Nb 0.73910782256938 0.00000000000000 0.97078663199193 92.906 > 30 *59 Nb 0.50000000000000 0.36676450074788 0.00000000000000 92.906 > 31 60 Nb 0.50000000000000 0.63323549925212 0.00000000000000 92.906 > 32 61 Nb 0.76089217743062 0.50000000000000 0.02921336800807 92.906 > 29 62 Nb 0.23910782256938 0.50000000000000 0.97078663199193 92.906 > 30 63 Nb 0.00000000000000 0.86676450074788 0.00000000000000 92.906 > 31 64 Nb 0.00000000000000 0.13323549925212 0.00000000000000 92.906 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.125596810001783 0.000000000000000 0.000000000000000 b 0.000000000000000 13.016057909999997 0.000000000000000 c -3.808345344546250 0.000000000000000 10.851069423481411 Atomic positions (fractional): *1 O 0.35487039398581 0.10890478660946 0.11639133421394 15.999 > 1 2 O 0.35487039398581 0.10890478660946 0.61639133421394 15.999 > 1 3 O 0.64512960601419 0.10890478660946 0.38360866578606 15.999 > 2 4 O 0.64512960601419 0.10890478660946 0.88360866578606 15.999 > 2 5 O 0.64512960601419 0.89109521339054 0.38360866578606 15.999 > 3 6 O 0.64512960601419 0.89109521339054 0.88360866578606 15.999 > 3 7 O 0.35487039398581 0.89109521339054 0.11639133421394 15.999 > 4 8 O 0.35487039398581 0.89109521339054 0.61639133421394 15.999 > 4 *9 O 0.87942165940831 0.88853703979594 0.09580573319070 15.999 > 5 10 O 0.87942165940831 0.88853703979594 0.59580573319070 15.999 > 5 11 O 0.12057834059169 0.88853703979594 0.40419426680930 15.999 > 6 12 O 0.12057834059169 0.88853703979594 0.90419426680930 15.999 > 6 13 O 0.12057834059169 0.11146296020406 0.40419426680930 15.999 > 7 14 O 0.12057834059169 0.11146296020406 0.90419426680930 15.999 > 7 15 O 0.87942165940831 0.11146296020406 0.09580573319070 15.999 > 8 16 O 0.87942165940831 0.11146296020406 0.59580573319070 15.999 > 8 *17 O 0.65391521466276 0.00000000000000 0.10438099025529 15.999 > 9 18 O 0.65391521466276 0.00000000000000 0.60438099025529 15.999 > 9 19 O 0.34608478533724 0.00000000000000 0.39561900974471 15.999 > 10 20 O 0.34608478533724 0.00000000000000 0.89561900974471 15.999 > 10 *21 O 0.39530561527386 0.27080656403237 0.38627557362429 15.999 > 11 22 O 0.39530561527386 0.27080656403237 0.88627557362429 15.999 > 11 23 O 0.60469438472614 0.27080656403237 0.11372442637571 15.999 > 12 24 O 0.60469438472614 0.27080656403237 0.61372442637571 15.999 > 12 25 O 0.60469438472614 0.72919343596763 0.11372442637571 15.999 > 13 26 O 0.60469438472614 0.72919343596763 0.61372442637571 15.999 > 13 *27 O 0.88752958668845 0.00000000000000 0.40084693599060 15.999 > 14 28 O 0.88752958668845 0.00000000000000 0.90084693599060 15.999 > 14 29 O 0.11247041331155 0.00000000000000 0.09915306400940 15.999 > 15 30 O 0.11247041331155 0.00000000000000 0.59915306400940 15.999 > 15 31 O 0.39530561527386 0.72919343596763 0.38627557362429 15.999 > 16 32 O 0.39530561527386 0.72919343596763 0.88627557362429 15.999 > 16 33 O 0.85487039398581 0.60890478660946 0.11639133421394 15.999 > 1 34 O 0.85487039398581 0.60890478660946 0.61639133421394 15.999 > 1 35 O 0.14512960601419 0.60890478660946 0.38360866578606 15.999 > 2 36 O 0.14512960601419 0.60890478660946 0.88360866578606 15.999 > 2 37 O 0.14512960601419 0.39109521339054 0.38360866578606 15.999 > 3 38 O 0.14512960601419 0.39109521339054 0.88360866578606 15.999 > 3 39 O 0.85487039398581 0.39109521339054 0.11639133421394 15.999 > 4 40 O 0.85487039398581 0.39109521339054 0.61639133421394 15.999 > 4 41 O 0.37942165940831 0.38853703979594 0.09580573319070 15.999 > 5 42 O 0.37942165940831 0.38853703979594 0.59580573319070 15.999 > 5 43 O 0.62057834059169 0.38853703979594 0.40419426680930 15.999 > 6 44 O 0.62057834059169 0.38853703979594 0.90419426680930 15.999 > 6 45 O 0.62057834059169 0.61146296020406 0.40419426680930 15.999 > 7 46 O 0.62057834059169 0.61146296020406 0.90419426680930 15.999 > 7 47 O 0.37942165940831 0.61146296020406 0.09580573319070 15.999 > 8 48 O 0.37942165940831 0.61146296020406 0.59580573319070 15.999 > 8 49 O 0.15391521466276 0.50000000000000 0.10438099025529 15.999 > 9 50 O 0.15391521466276 0.50000000000000 0.60438099025529 15.999 > 9 51 O 0.84608478533724 0.50000000000000 0.39561900974471 15.999 > 10 52 O 0.84608478533724 0.50000000000000 0.89561900974471 15.999 > 10 53 O 0.89530561527386 0.77080656403237 0.38627557362429 15.999 > 11 54 O 0.89530561527386 0.77080656403237 0.88627557362429 15.999 > 11 55 O 0.10469438472614 0.77080656403237 0.11372442637571 15.999 > 12 56 O 0.10469438472614 0.77080656403237 0.61372442637571 15.999 > 12 57 O 0.10469438472614 0.22919343596763 0.11372442637571 15.999 > 13 58 O 0.10469438472614 0.22919343596763 0.61372442637571 15.999 > 13 59 O 0.38752958668845 0.50000000000000 0.40084693599060 15.999 > 14 60 O 0.38752958668845 0.50000000000000 0.90084693599060 15.999 > 14 61 O 0.61247041331155 0.50000000000000 0.09915306400940 15.999 > 15 62 O 0.61247041331155 0.50000000000000 0.59915306400940 15.999 > 15 63 O 0.89530561527386 0.22919343596763 0.38627557362429 15.999 > 16 64 O 0.89530561527386 0.22919343596763 0.88627557362429 15.999 > 16 *65 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 17 66 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 17 *67 Na 0.50000000000000 0.24099567338794 0.25000000000000 22.990 > 18 68 Na 0.50000000000000 0.24099567338794 0.75000000000000 22.990 > 18 69 Na 0.50000000000000 0.75900432661206 0.25000000000000 22.990 > 19 70 Na 0.50000000000000 0.75900432661206 0.75000000000000 22.990 > 19 *71 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 20 72 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 20 *73 Na 0.75424110004158 0.87368294835889 0.24019481040845 22.990 > 21 74 Na 0.75424110004158 0.87368294835889 0.74019481040845 22.990 > 21 75 Na 0.24575889995842 0.87368294835889 0.25980518959155 22.990 > 22 76 Na 0.24575889995842 0.87368294835889 0.75980518959155 22.990 > 22 77 Na 0.24575889995842 0.12631705164111 0.25980518959155 22.990 > 23 78 Na 0.24575889995842 0.12631705164111 0.75980518959155 22.990 > 23 79 Na 0.75424110004158 0.12631705164111 0.24019481040845 22.990 > 24 80 Na 0.75424110004158 0.12631705164111 0.74019481040845 22.990 > 24 *81 Na 0.50000000000000 0.87588871242520 0.00000000000000 22.990 > 25 82 Na 0.50000000000000 0.87588871242520 0.50000000000000 22.990 > 25 83 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 26 84 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 26 85 Na 0.50000000000000 0.12411128757480 0.00000000000000 22.990 > 27 86 Na 0.50000000000000 0.12411128757480 0.50000000000000 22.990 > 27 *87 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 28 88 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 28 89 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 17 90 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 17 91 Na 0.00000000000000 0.74099567338794 0.25000000000000 22.990 > 18 92 Na 0.00000000000000 0.74099567338794 0.75000000000000 22.990 > 18 93 Na 0.00000000000000 0.25900432661206 0.25000000000000 22.990 > 19 94 Na 0.00000000000000 0.25900432661206 0.75000000000000 22.990 > 19 95 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 20 96 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 20 97 Na 0.25424110004158 0.37368294835889 0.24019481040845 22.990 > 21 98 Na 0.25424110004158 0.37368294835889 0.74019481040845 22.990 > 21 99 Na 0.74575889995842 0.37368294835889 0.25980518959155 22.990 > 22 100 Na 0.74575889995842 0.37368294835889 0.75980518959155 22.990 > 22 101 Na 0.74575889995842 0.62631705164111 0.25980518959155 22.990 > 23 102 Na 0.74575889995842 0.62631705164111 0.75980518959155 22.990 > 23 103 Na 0.25424110004158 0.62631705164111 0.24019481040845 22.990 > 24 104 Na 0.25424110004158 0.62631705164111 0.74019481040845 22.990 > 24 105 Na 0.00000000000000 0.37588871242520 0.00000000000000 22.990 > 25 106 Na 0.00000000000000 0.37588871242520 0.50000000000000 22.990 > 25 107 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 26 108 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 26 109 Na 0.00000000000000 0.62411128757480 0.00000000000000 22.990 > 27 110 Na 0.00000000000000 0.62411128757480 0.50000000000000 22.990 > 27 111 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 28 112 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 28 *113 Nb 0.26089217743062 0.00000000000000 0.01460668400403 92.906 > 29 114 Nb 0.26089217743062 0.00000000000000 0.51460668400403 92.906 > 29 115 Nb 0.73910782256938 0.00000000000000 0.48539331599597 92.906 > 30 116 Nb 0.73910782256938 0.00000000000000 0.98539331599597 92.906 > 30 *117 Nb 0.50000000000000 0.36676450074788 0.00000000000000 92.906 > 31 118 Nb 0.50000000000000 0.36676450074788 0.50000000000000 92.906 > 31 119 Nb 0.50000000000000 0.63323549925212 0.00000000000000 92.906 > 32 120 Nb 0.50000000000000 0.63323549925212 0.50000000000000 92.906 > 32 121 Nb 0.76089217743062 0.50000000000000 0.01460668400403 92.906 > 29 122 Nb 0.76089217743062 0.50000000000000 0.51460668400403 92.906 > 29 123 Nb 0.23910782256938 0.50000000000000 0.48539331599597 92.906 > 30 124 Nb 0.23910782256938 0.50000000000000 0.98539331599597 92.906 > 30 125 Nb 0.00000000000000 0.86676450074788 0.00000000000000 92.906 > 31 126 Nb 0.00000000000000 0.86676450074788 0.50000000000000 92.906 > 31 127 Nb 0.00000000000000 0.13323549925212 0.00000000000000 92.906 > 32 128 Nb 0.00000000000000 0.13323549925212 0.50000000000000 92.906 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6849705 0.0000000 0.0356569 0.0000000 3.5287023 0.0000000 0.0356571 0.0000000 3.2053308 -------------------------- Born effective charges -------------------------- 1 O -1.6794247 -0.7457865 -0.6231437 -0.6139967 -2.3401950 -0.8459807 -0.3779622 -0.7220236 -1.7331721 2 O -1.6794247 0.7457865 -0.6231437 0.6139967 -2.3401950 0.8459807 -0.3779622 0.7220236 -1.7331721 3 O -1.6794247 -0.7457865 -0.6231437 -0.6139967 -2.3401950 -0.8459807 -0.3779622 -0.7220236 -1.7331721 4 O -1.6794247 0.7457865 -0.6231437 0.6139967 -2.3401950 0.8459807 -0.3779622 0.7220236 -1.7331721 5 O -2.8435729 0.5859583 0.4415011 0.6418834 -1.7410678 0.2975454 0.2560429 0.2975801 -1.6743495 6 O -2.8435729 -0.5859583 0.4415011 -0.6418834 -1.7410678 -0.2975454 0.2560429 -0.2975801 -1.6743495 7 O -2.8435729 0.5859583 0.4415011 0.6418834 -1.7410678 0.2975454 0.2560429 0.2975801 -1.6743495 8 O -2.8435729 -0.5859583 0.4415011 -0.6418834 -1.7410678 -0.2975454 0.2560429 -0.2975801 -1.6743495 9 O -2.5804831 0.0000000 1.0321541 0.0000000 -1.1112798 0.0000000 0.9688447 0.0000000 -2.0097536 10 O -2.5804831 0.0000000 1.0321541 0.0000000 -1.1112798 0.0000000 0.9688447 0.0000000 -2.0097536 11 O -1.5123725 -0.6570201 -0.4729127 -0.5969978 -2.3326600 -1.0644070 -0.4399936 -0.7964375 -1.8940299 12 O -1.5123725 0.6570201 -0.4729127 0.5969978 -2.3326600 1.0644070 -0.4399936 0.7964375 -1.8940299 13 O -1.5123725 -0.6570201 -0.4729127 -0.5969978 -2.3326600 -1.0644070 -0.4399936 -0.7964375 -1.8940299 14 O -2.5624816 0.0000000 0.0713510 0.0000000 -2.3168881 0.0000000 -0.0411938 0.0000000 -1.5845552 15 O -2.5624816 0.0000000 0.0713510 0.0000000 -2.3168881 0.0000000 -0.0411938 0.0000000 -1.5845552 16 O -1.5123725 0.6570201 -0.4729127 0.5969978 -2.3326600 1.0644070 -0.4399936 0.7964375 -1.8940299 17 Na 1.0706464 0.3867281 -0.0741641 0.2916543 1.3122350 -0.2010695 -0.0004137 -0.0579332 0.5594987 18 Na 0.9177850 0.0000000 0.0960355 0.0000000 1.3254328 0.0000000 -0.0173886 0.0000000 1.4307477 19 Na 0.9177850 0.0000000 0.0960355 0.0000000 1.3254328 0.0000000 -0.0173886 0.0000000 1.4307477 20 Na 0.7085252 0.0000000 -0.2610171 0.0000000 0.6919479 0.0000000 -0.0326443 0.0000000 1.5324656 21 Na 0.9760041 0.2031293 -0.0330877 0.0974206 0.9948355 0.2120111 0.0085491 0.0145296 1.4661908 22 Na 0.9760041 -0.2031293 -0.0330877 -0.0974206 0.9948355 -0.2120111 0.0085491 -0.0145296 1.4661908 23 Na 0.9760041 0.2031293 -0.0330877 0.0974206 0.9948355 0.2120111 0.0085491 0.0145296 1.4661908 24 Na 0.9760041 -0.2031293 -0.0330877 -0.0974206 0.9948355 -0.2120111 0.0085491 -0.0145296 1.4661908 25 Na 1.3249922 0.0000000 0.0147362 0.0000000 1.2296216 0.0000000 -0.0568961 0.0000000 0.5574710 26 Na 1.0706464 -0.3867281 -0.0741641 -0.2916543 1.3122350 0.2010695 -0.0004137 0.0579332 0.5594987 27 Na 1.3249922 0.0000000 0.0147362 0.0000000 1.2296216 0.0000000 -0.0568961 0.0000000 0.5574710 28 Na 1.4398661 0.0000000 0.1363849 0.0000000 0.6439973 0.0000000 0.0171814 0.0000000 1.3704408 29 Nb 5.5051168 0.0000000 0.5610042 0.0000000 4.7664442 0.0000000 0.0647916 0.0000000 3.7477007 30 Nb 5.5051168 0.0000000 0.5610042 0.0000000 4.7664442 0.0000000 0.0647916 0.0000000 3.7477007 31 Nb 5.3689605 0.0000000 -0.2635148 0.0000000 4.9646362 0.0000000 0.1967148 0.0000000 3.5181588 32 Nb 5.3689605 0.0000000 -0.2635148 0.0000000 4.9646362 0.0000000 0.1967148 0.0000000 3.5181588 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 22272/22272 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4884 Number of blocks in projector: 4884 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: 1128 Use submatrix version of eigh solver. (1) Block: 500 / 1128 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1128 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1128 / 1128 (1) 115 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 936 Use submatrix version of eigh solver. (1) Block: 500 / 936 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 936 / 936 (1) 426 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 936 Use submatrix version of eigh solver. (1) Block: 500 / 936 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 936 / 936 (1) 426 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 117 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 117 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 117 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (4884, 4800), data: False |-- (628, 615), data: False |-- (628, 11), data: (628, 24) @ (24, 11) |-- (128, 117), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (628, 615), data: False |-- (628, 11), data: (628, 24) @ (24, 11) |-- (128, 117), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (628, 615), data: False |-- (628, 11), data: (628, 24) @ (24, 11) |-- (128, 117), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (936, 926), data: False |-- (936, 10), data: (936, 20) @ (20, 10) |-- (436, 426), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (936, 926), data: False |-- (936, 10), data: (936, 20) @ (20, 10) |-- (436, 426), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1128, 1103), data: False |-- (1128, 34), data: (1128, 59) @ (59, 34) |-- (128, 115), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.418 Solver_block: 200 / 960 - Time: 1.250 Solver_block: 300 / 960 - Time: 1.269 Solver_block: 400 / 960 - Time: 1.271 Solver_block: 500 / 960 - Time: 1.244 Solver_block: 600 / 960 - Time: 1.269 Solver_block: 700 / 960 - Time: 1.249 Solver_block: 800 / 960 - Time: 1.253 Solver_block: 900 / 960 - Time: 1.258 Solver_block: 960 / 960 - Time: 0.812 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.638 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 22272/22272 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4884 Number of blocks in projector: 4884 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: 1128 Use submatrix version of eigh solver. (1) Block: 500 / 1128 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1000 / 1128 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1128 / 1128 (1) 115 eigenvectors found. (1) Complementary block size: 59 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 936 Use submatrix version of eigh solver. (1) Block: 500 / 936 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 936 / 936 (1) 426 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 936 Use submatrix version of eigh solver. (1) Block: 500 / 936 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 936 / 936 (1) 426 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 117 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 117 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 628 Use submatrix version of eigh solver. (1) Block: 500 / 628 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 628 / 628 (1) 117 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. Tree of FC basis block matrices: - (4884, 4800), data: False |-- (628, 615), data: False |-- (628, 11), data: (628, 24) @ (24, 11) |-- (128, 117), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (628, 615), data: False |-- (628, 11), data: (628, 24) @ (24, 11) |-- (128, 117), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (628, 615), data: False |-- (628, 11), data: (628, 24) @ (24, 11) |-- (128, 117), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (936, 926), data: False |-- (936, 10), data: (936, 20) @ (20, 10) |-- (436, 426), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (936, 926), data: False |-- (936, 10), data: (936, 20) @ (20, 10) |-- (436, 426), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1128, 1103), data: False |-- (1128, 34), data: (1128, 59) @ (59, 34) |-- (128, 115), data: True |-- (500, 479), data: False |-- (500, 19), data: (500, 40) @ (40, 19) |-- (250, 231), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), 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 06:08:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:08:55]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.562798405000891 -6.508028954999999 0.000000000000000 b 5.562798405000891 6.508028954999999 0.000000000000000 c -1.904172672273125 0.000000000000000 5.425534711740705 Atomic positions (fractional): 1 O 0.24596560737635 0.46377518059527 0.23278266842788 15.999 2 O 0.53622481940473 0.75403439262365 0.76721733157212 15.999 3 O 0.75403439262365 0.53622481940473 0.76721733157212 15.999 4 O 0.46377518059527 0.24596560737635 0.23278266842788 15.999 5 O 0.99088461961237 0.76795869920425 0.19161146638141 15.999 6 O 0.23204130079575 0.00911538038763 0.80838853361859 15.999 7 O 0.00911538038763 0.23204130079575 0.80838853361859 15.999 8 O 0.76795869920425 0.99088461961237 0.19161146638141 15.999 9 O 0.65391521466276 0.65391521466276 0.20876198051058 15.999 10 O 0.34608478533724 0.34608478533724 0.79123801948942 15.999 11 O 0.12449905124149 0.66611217930624 0.77255114724859 15.999 12 O 0.33388782069376 0.87550094875851 0.22744885275141 15.999 13 O 0.87550094875851 0.33388782069376 0.22744885275141 15.999 14 O 0.88752958668845 0.88752958668845 0.80169387198119 15.999 15 O 0.11247041331155 0.11247041331155 0.19830612801881 15.999 16 O 0.66611217930624 0.12449905124149 0.77255114724859 15.999 17 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 18 Na 0.25900432661206 0.74099567338794 0.50000000000000 22.990 19 Na 0.74099567338794 0.25900432661206 0.50000000000000 22.990 20 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 21 Na 0.88055815168269 0.62792404840047 0.48038962081690 22.990 22 Na 0.37207595159953 0.11944184831731 0.51961037918310 22.990 23 Na 0.11944184831731 0.37207595159953 0.51961037918310 22.990 24 Na 0.62792404840047 0.88055815168269 0.48038962081690 22.990 25 Na 0.62411128757480 0.37588871242520 0.00000000000000 22.990 26 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 27 Na 0.37588871242520 0.62411128757480 0.00000000000000 22.990 28 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 29 Nb 0.26089217743062 0.26089217743062 0.02921336800807 92.906 30 Nb 0.73910782256938 0.73910782256938 0.97078663199193 92.906 31 Nb 0.13323549925212 0.86676450074788 0.00000000000000 92.906 32 Nb 0.86676450074788 0.13323549925212 0.00000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.125596810001783 0.000000000000000 0.000000000000000 b 0.000000000000000 13.016057909999997 0.000000000000000 c -3.808345344546250 0.000000000000000 10.851069423481411 Atomic positions (fractional): 1 O 0.35487039398581 0.10890478660946 0.11639133421394 15.999 > 1 2 O 0.35487039398581 0.10890478660946 0.61639133421394 15.999 > 1 3 O 0.64512960601419 0.10890478660946 0.38360866578606 15.999 > 3 4 O 0.64512960601419 0.10890478660946 0.88360866578606 15.999 > 3 5 O 0.64512960601419 0.89109521339054 0.38360866578606 15.999 > 5 6 O 0.64512960601419 0.89109521339054 0.88360866578606 15.999 > 5 7 O 0.35487039398581 0.89109521339054 0.11639133421394 15.999 > 7 8 O 0.35487039398581 0.89109521339054 0.61639133421394 15.999 > 7 9 O 0.87942165940831 0.88853703979594 0.09580573319070 15.999 > 9 10 O 0.87942165940831 0.88853703979594 0.59580573319070 15.999 > 9 11 O 0.12057834059169 0.88853703979594 0.40419426680930 15.999 > 11 12 O 0.12057834059169 0.88853703979594 0.90419426680930 15.999 > 11 13 O 0.12057834059169 0.11146296020406 0.40419426680930 15.999 > 13 14 O 0.12057834059169 0.11146296020406 0.90419426680930 15.999 > 13 15 O 0.87942165940831 0.11146296020406 0.09580573319070 15.999 > 15 16 O 0.87942165940831 0.11146296020406 0.59580573319070 15.999 > 15 17 O 0.65391521466276 0.00000000000000 0.10438099025529 15.999 > 17 18 O 0.65391521466276 0.00000000000000 0.60438099025529 15.999 > 17 19 O 0.34608478533724 0.00000000000000 0.39561900974471 15.999 > 19 20 O 0.34608478533724 0.00000000000000 0.89561900974471 15.999 > 19 21 O 0.39530561527386 0.27080656403237 0.38627557362429 15.999 > 21 22 O 0.39530561527386 0.27080656403237 0.88627557362429 15.999 > 21 23 O 0.60469438472614 0.27080656403237 0.11372442637571 15.999 > 23 24 O 0.60469438472614 0.27080656403237 0.61372442637571 15.999 > 23 25 O 0.60469438472614 0.72919343596763 0.11372442637571 15.999 > 25 26 O 0.60469438472614 0.72919343596763 0.61372442637571 15.999 > 25 27 O 0.88752958668845 0.00000000000000 0.40084693599060 15.999 > 27 28 O 0.88752958668845 0.00000000000000 0.90084693599060 15.999 > 27 29 O 0.11247041331155 0.00000000000000 0.09915306400940 15.999 > 29 30 O 0.11247041331155 0.00000000000000 0.59915306400940 15.999 > 29 31 O 0.39530561527386 0.72919343596763 0.38627557362429 15.999 > 31 32 O 0.39530561527386 0.72919343596763 0.88627557362429 15.999 > 31 33 O 0.85487039398581 0.60890478660946 0.11639133421394 15.999 > 1 34 O 0.85487039398581 0.60890478660946 0.61639133421394 15.999 > 1 35 O 0.14512960601419 0.60890478660946 0.38360866578606 15.999 > 3 36 O 0.14512960601419 0.60890478660946 0.88360866578606 15.999 > 3 37 O 0.14512960601419 0.39109521339054 0.38360866578606 15.999 > 5 38 O 0.14512960601419 0.39109521339054 0.88360866578606 15.999 > 5 39 O 0.85487039398581 0.39109521339054 0.11639133421394 15.999 > 7 40 O 0.85487039398581 0.39109521339054 0.61639133421394 15.999 > 7 41 O 0.37942165940831 0.38853703979594 0.09580573319070 15.999 > 9 42 O 0.37942165940831 0.38853703979594 0.59580573319070 15.999 > 9 43 O 0.62057834059169 0.38853703979594 0.40419426680930 15.999 > 11 44 O 0.62057834059169 0.38853703979594 0.90419426680930 15.999 > 11 45 O 0.62057834059169 0.61146296020406 0.40419426680930 15.999 > 13 46 O 0.62057834059169 0.61146296020406 0.90419426680930 15.999 > 13 47 O 0.37942165940831 0.61146296020406 0.09580573319070 15.999 > 15 48 O 0.37942165940831 0.61146296020406 0.59580573319070 15.999 > 15 49 O 0.15391521466276 0.50000000000000 0.10438099025529 15.999 > 17 50 O 0.15391521466276 0.50000000000000 0.60438099025529 15.999 > 17 51 O 0.84608478533724 0.50000000000000 0.39561900974471 15.999 > 19 52 O 0.84608478533724 0.50000000000000 0.89561900974471 15.999 > 19 53 O 0.89530561527386 0.77080656403237 0.38627557362429 15.999 > 21 54 O 0.89530561527386 0.77080656403237 0.88627557362429 15.999 > 21 55 O 0.10469438472614 0.77080656403237 0.11372442637571 15.999 > 23 56 O 0.10469438472614 0.77080656403237 0.61372442637571 15.999 > 23 57 O 0.10469438472614 0.22919343596763 0.11372442637571 15.999 > 25 58 O 0.10469438472614 0.22919343596763 0.61372442637571 15.999 > 25 59 O 0.38752958668845 0.50000000000000 0.40084693599060 15.999 > 27 60 O 0.38752958668845 0.50000000000000 0.90084693599060 15.999 > 27 61 O 0.61247041331155 0.50000000000000 0.09915306400940 15.999 > 29 62 O 0.61247041331155 0.50000000000000 0.59915306400940 15.999 > 29 63 O 0.89530561527386 0.22919343596763 0.38627557362429 15.999 > 31 64 O 0.89530561527386 0.22919343596763 0.88627557362429 15.999 > 31 65 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 65 66 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 65 67 Na 0.50000000000000 0.24099567338794 0.25000000000000 22.990 > 67 68 Na 0.50000000000000 0.24099567338794 0.75000000000000 22.990 > 67 69 Na 0.50000000000000 0.75900432661206 0.25000000000000 22.990 > 69 70 Na 0.50000000000000 0.75900432661206 0.75000000000000 22.990 > 69 71 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 71 72 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 71 73 Na 0.75424110004158 0.87368294835889 0.24019481040845 22.990 > 73 74 Na 0.75424110004158 0.87368294835889 0.74019481040845 22.990 > 73 75 Na 0.24575889995842 0.87368294835889 0.25980518959155 22.990 > 75 76 Na 0.24575889995842 0.87368294835889 0.75980518959155 22.990 > 75 77 Na 0.24575889995842 0.12631705164111 0.25980518959155 22.990 > 77 78 Na 0.24575889995842 0.12631705164111 0.75980518959155 22.990 > 77 79 Na 0.75424110004158 0.12631705164111 0.24019481040845 22.990 > 79 80 Na 0.75424110004158 0.12631705164111 0.74019481040845 22.990 > 79 81 Na 0.50000000000000 0.87588871242520 0.00000000000000 22.990 > 81 82 Na 0.50000000000000 0.87588871242520 0.50000000000000 22.990 > 81 83 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 83 84 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 83 85 Na 0.50000000000000 0.12411128757480 0.00000000000000 22.990 > 85 86 Na 0.50000000000000 0.12411128757480 0.50000000000000 22.990 > 85 87 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 87 88 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 87 89 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 65 90 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 65 91 Na 0.00000000000000 0.74099567338794 0.25000000000000 22.990 > 67 92 Na 0.00000000000000 0.74099567338794 0.75000000000000 22.990 > 67 93 Na 0.00000000000000 0.25900432661206 0.25000000000000 22.990 > 69 94 Na 0.00000000000000 0.25900432661206 0.75000000000000 22.990 > 69 95 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 71 96 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 71 97 Na 0.25424110004158 0.37368294835889 0.24019481040845 22.990 > 73 98 Na 0.25424110004158 0.37368294835889 0.74019481040845 22.990 > 73 99 Na 0.74575889995842 0.37368294835889 0.25980518959155 22.990 > 75 100 Na 0.74575889995842 0.37368294835889 0.75980518959155 22.990 > 75 101 Na 0.74575889995842 0.62631705164111 0.25980518959155 22.990 > 77 102 Na 0.74575889995842 0.62631705164111 0.75980518959155 22.990 > 77 103 Na 0.25424110004158 0.62631705164111 0.24019481040845 22.990 > 79 104 Na 0.25424110004158 0.62631705164111 0.74019481040845 22.990 > 79 105 Na 0.00000000000000 0.37588871242520 0.00000000000000 22.990 > 81 106 Na 0.00000000000000 0.37588871242520 0.50000000000000 22.990 > 81 107 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 83 108 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 83 109 Na 0.00000000000000 0.62411128757480 0.00000000000000 22.990 > 85 110 Na 0.00000000000000 0.62411128757480 0.50000000000000 22.990 > 85 111 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 87 112 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 87 113 Nb 0.26089217743062 0.00000000000000 0.01460668400403 92.906 > 113 114 Nb 0.26089217743062 0.00000000000000 0.51460668400403 92.906 > 113 115 Nb 0.73910782256938 0.00000000000000 0.48539331599597 92.906 > 115 116 Nb 0.73910782256938 0.00000000000000 0.98539331599597 92.906 > 115 117 Nb 0.50000000000000 0.36676450074788 0.00000000000000 92.906 > 117 118 Nb 0.50000000000000 0.36676450074788 0.50000000000000 92.906 > 117 119 Nb 0.50000000000000 0.63323549925212 0.00000000000000 92.906 > 119 120 Nb 0.50000000000000 0.63323549925212 0.50000000000000 92.906 > 119 121 Nb 0.76089217743062 0.50000000000000 0.01460668400403 92.906 > 113 122 Nb 0.76089217743062 0.50000000000000 0.51460668400403 92.906 > 113 123 Nb 0.23910782256938 0.50000000000000 0.48539331599597 92.906 > 115 124 Nb 0.23910782256938 0.50000000000000 0.98539331599597 92.906 > 115 125 Nb 0.00000000000000 0.86676450074788 0.00000000000000 92.906 > 117 126 Nb 0.00000000000000 0.86676450074788 0.50000000000000 92.906 > 117 127 Nb 0.00000000000000 0.13323549925212 0.00000000000000 92.906 > 119 128 Nb 0.00000000000000 0.13323549925212 0.50000000000000 92.906 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6849705 0.0000000 0.0356569 0.0000000 3.5287023 0.0000000 0.0356571 0.0000000 3.2053308 -------------------------- Born effective charges -------------------------- 1 O -1.6794247 -0.7457865 -0.6231437 -0.6139967 -2.3401950 -0.8459807 -0.3779622 -0.7220236 -1.7331721 2 O -1.6794247 0.7457865 -0.6231437 0.6139967 -2.3401950 0.8459807 -0.3779622 0.7220236 -1.7331721 3 O -1.6794247 -0.7457865 -0.6231437 -0.6139967 -2.3401950 -0.8459807 -0.3779622 -0.7220236 -1.7331721 4 O -1.6794247 0.7457865 -0.6231437 0.6139967 -2.3401950 0.8459807 -0.3779622 0.7220236 -1.7331721 5 O -2.8435729 0.5859583 0.4415011 0.6418834 -1.7410678 0.2975454 0.2560429 0.2975801 -1.6743495 6 O -2.8435729 -0.5859583 0.4415011 -0.6418834 -1.7410678 -0.2975454 0.2560429 -0.2975801 -1.6743495 7 O -2.8435729 0.5859583 0.4415011 0.6418834 -1.7410678 0.2975454 0.2560429 0.2975801 -1.6743495 8 O -2.8435729 -0.5859583 0.4415011 -0.6418834 -1.7410678 -0.2975454 0.2560429 -0.2975801 -1.6743495 9 O -2.5804831 0.0000000 1.0321541 0.0000000 -1.1112798 0.0000000 0.9688447 0.0000000 -2.0097536 10 O -2.5804831 0.0000000 1.0321541 0.0000000 -1.1112798 0.0000000 0.9688447 0.0000000 -2.0097536 11 O -1.5123725 -0.6570201 -0.4729127 -0.5969978 -2.3326600 -1.0644070 -0.4399936 -0.7964375 -1.8940299 12 O -1.5123725 0.6570201 -0.4729127 0.5969978 -2.3326600 1.0644070 -0.4399936 0.7964375 -1.8940299 13 O -1.5123725 -0.6570201 -0.4729127 -0.5969978 -2.3326600 -1.0644070 -0.4399936 -0.7964375 -1.8940299 14 O -2.5624816 0.0000000 0.0713510 0.0000000 -2.3168881 0.0000000 -0.0411938 0.0000000 -1.5845552 15 O -2.5624816 0.0000000 0.0713510 0.0000000 -2.3168881 0.0000000 -0.0411938 0.0000000 -1.5845552 16 O -1.5123725 0.6570201 -0.4729127 0.5969978 -2.3326600 1.0644070 -0.4399936 0.7964375 -1.8940299 17 Na 1.0706464 0.3867281 -0.0741641 0.2916543 1.3122350 -0.2010695 -0.0004137 -0.0579332 0.5594987 18 Na 0.9177850 0.0000000 0.0960355 0.0000000 1.3254328 0.0000000 -0.0173886 0.0000000 1.4307477 19 Na 0.9177850 0.0000000 0.0960355 0.0000000 1.3254328 0.0000000 -0.0173886 0.0000000 1.4307477 20 Na 0.7085252 0.0000000 -0.2610171 0.0000000 0.6919479 0.0000000 -0.0326443 0.0000000 1.5324656 21 Na 0.9760041 0.2031293 -0.0330877 0.0974206 0.9948355 0.2120111 0.0085491 0.0145296 1.4661908 22 Na 0.9760041 -0.2031293 -0.0330877 -0.0974206 0.9948355 -0.2120111 0.0085491 -0.0145296 1.4661908 23 Na 0.9760041 0.2031293 -0.0330877 0.0974206 0.9948355 0.2120111 0.0085491 0.0145296 1.4661908 24 Na 0.9760041 -0.2031293 -0.0330877 -0.0974206 0.9948355 -0.2120111 0.0085491 -0.0145296 1.4661908 25 Na 1.3249922 0.0000000 0.0147362 0.0000000 1.2296216 0.0000000 -0.0568961 0.0000000 0.5574710 26 Na 1.0706464 -0.3867281 -0.0741641 -0.2916543 1.3122350 0.2010695 -0.0004137 0.0579332 0.5594987 27 Na 1.3249922 0.0000000 0.0147362 0.0000000 1.2296216 0.0000000 -0.0568961 0.0000000 0.5574710 28 Na 1.4398661 0.0000000 0.1363849 0.0000000 0.6439973 0.0000000 0.0171814 0.0000000 1.3704408 29 Nb 5.5051168 0.0000000 0.5610042 0.0000000 4.7664442 0.0000000 0.0647916 0.0000000 3.7477007 30 Nb 5.5051168 0.0000000 0.5610042 0.0000000 4.7664442 0.0000000 0.0647916 0.0000000 3.7477007 31 Nb 5.3689605 0.0000000 -0.2635148 0.0000000 4.9646362 0.0000000 0.1967148 0.0000000 3.5181588 32 Nb 5.3689605 0.0000000 -0.2635148 0.0000000 4.9646362 0.0000000 0.1967148 0.0000000 3.5181588 ---------------------------------------------------------------------------- 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 27, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 87, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Computing fc3[ 117, 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] [-0.0033 0.0000 0.0094] [ 0.0033 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:09:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:09:42]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.562798405000891 -6.508028954999999 0.000000000000000 b 5.562798405000891 6.508028954999999 0.000000000000000 c -1.904172672273125 0.000000000000000 5.425534711740705 Atomic positions (fractional): 1 O 0.24596560737635 0.46377518059527 0.23278266842788 15.999 2 O 0.53622481940473 0.75403439262365 0.76721733157212 15.999 3 O 0.75403439262365 0.53622481940473 0.76721733157212 15.999 4 O 0.46377518059527 0.24596560737635 0.23278266842788 15.999 5 O 0.99088461961237 0.76795869920425 0.19161146638141 15.999 6 O 0.23204130079575 0.00911538038763 0.80838853361859 15.999 7 O 0.00911538038763 0.23204130079575 0.80838853361859 15.999 8 O 0.76795869920425 0.99088461961237 0.19161146638141 15.999 9 O 0.65391521466276 0.65391521466276 0.20876198051058 15.999 10 O 0.34608478533724 0.34608478533724 0.79123801948942 15.999 11 O 0.12449905124149 0.66611217930624 0.77255114724859 15.999 12 O 0.33388782069376 0.87550094875851 0.22744885275141 15.999 13 O 0.87550094875851 0.33388782069376 0.22744885275141 15.999 14 O 0.88752958668845 0.88752958668845 0.80169387198119 15.999 15 O 0.11247041331155 0.11247041331155 0.19830612801881 15.999 16 O 0.66611217930624 0.12449905124149 0.77255114724859 15.999 17 Na 0.00000000000000 0.50000000000000 0.00000000000000 22.990 18 Na 0.25900432661206 0.74099567338794 0.50000000000000 22.990 19 Na 0.74099567338794 0.25900432661206 0.50000000000000 22.990 20 Na 0.00000000000000 0.00000000000000 0.50000000000000 22.990 21 Na 0.88055815168269 0.62792404840047 0.48038962081690 22.990 22 Na 0.37207595159953 0.11944184831731 0.51961037918310 22.990 23 Na 0.11944184831731 0.37207595159953 0.51961037918310 22.990 24 Na 0.62792404840047 0.88055815168269 0.48038962081690 22.990 25 Na 0.62411128757480 0.37588871242520 0.00000000000000 22.990 26 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 27 Na 0.37588871242520 0.62411128757480 0.00000000000000 22.990 28 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 29 Nb 0.26089217743062 0.26089217743062 0.02921336800807 92.906 30 Nb 0.73910782256938 0.73910782256938 0.97078663199193 92.906 31 Nb 0.13323549925212 0.86676450074788 0.00000000000000 92.906 32 Nb 0.86676450074788 0.13323549925212 0.00000000000000 92.906 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.125596810001783 0.000000000000000 0.000000000000000 b 0.000000000000000 13.016057909999997 0.000000000000000 c -3.808345344546250 0.000000000000000 10.851069423481411 Atomic positions (fractional): 1 O 0.35487039398581 0.10890478660946 0.11639133421394 15.999 > 1 2 O 0.35487039398581 0.10890478660946 0.61639133421394 15.999 > 1 3 O 0.64512960601419 0.10890478660946 0.38360866578606 15.999 > 3 4 O 0.64512960601419 0.10890478660946 0.88360866578606 15.999 > 3 5 O 0.64512960601419 0.89109521339054 0.38360866578606 15.999 > 5 6 O 0.64512960601419 0.89109521339054 0.88360866578606 15.999 > 5 7 O 0.35487039398581 0.89109521339054 0.11639133421394 15.999 > 7 8 O 0.35487039398581 0.89109521339054 0.61639133421394 15.999 > 7 9 O 0.87942165940831 0.88853703979594 0.09580573319070 15.999 > 9 10 O 0.87942165940831 0.88853703979594 0.59580573319070 15.999 > 9 11 O 0.12057834059169 0.88853703979594 0.40419426680930 15.999 > 11 12 O 0.12057834059169 0.88853703979594 0.90419426680930 15.999 > 11 13 O 0.12057834059169 0.11146296020406 0.40419426680930 15.999 > 13 14 O 0.12057834059169 0.11146296020406 0.90419426680930 15.999 > 13 15 O 0.87942165940831 0.11146296020406 0.09580573319070 15.999 > 15 16 O 0.87942165940831 0.11146296020406 0.59580573319070 15.999 > 15 17 O 0.65391521466276 0.00000000000000 0.10438099025529 15.999 > 17 18 O 0.65391521466276 0.00000000000000 0.60438099025529 15.999 > 17 19 O 0.34608478533724 0.00000000000000 0.39561900974471 15.999 > 19 20 O 0.34608478533724 0.00000000000000 0.89561900974471 15.999 > 19 21 O 0.39530561527386 0.27080656403237 0.38627557362429 15.999 > 21 22 O 0.39530561527386 0.27080656403237 0.88627557362429 15.999 > 21 23 O 0.60469438472614 0.27080656403237 0.11372442637571 15.999 > 23 24 O 0.60469438472614 0.27080656403237 0.61372442637571 15.999 > 23 25 O 0.60469438472614 0.72919343596763 0.11372442637571 15.999 > 25 26 O 0.60469438472614 0.72919343596763 0.61372442637571 15.999 > 25 27 O 0.88752958668845 0.00000000000000 0.40084693599060 15.999 > 27 28 O 0.88752958668845 0.00000000000000 0.90084693599060 15.999 > 27 29 O 0.11247041331155 0.00000000000000 0.09915306400940 15.999 > 29 30 O 0.11247041331155 0.00000000000000 0.59915306400940 15.999 > 29 31 O 0.39530561527386 0.72919343596763 0.38627557362429 15.999 > 31 32 O 0.39530561527386 0.72919343596763 0.88627557362429 15.999 > 31 33 O 0.85487039398581 0.60890478660946 0.11639133421394 15.999 > 1 34 O 0.85487039398581 0.60890478660946 0.61639133421394 15.999 > 1 35 O 0.14512960601419 0.60890478660946 0.38360866578606 15.999 > 3 36 O 0.14512960601419 0.60890478660946 0.88360866578606 15.999 > 3 37 O 0.14512960601419 0.39109521339054 0.38360866578606 15.999 > 5 38 O 0.14512960601419 0.39109521339054 0.88360866578606 15.999 > 5 39 O 0.85487039398581 0.39109521339054 0.11639133421394 15.999 > 7 40 O 0.85487039398581 0.39109521339054 0.61639133421394 15.999 > 7 41 O 0.37942165940831 0.38853703979594 0.09580573319070 15.999 > 9 42 O 0.37942165940831 0.38853703979594 0.59580573319070 15.999 > 9 43 O 0.62057834059169 0.38853703979594 0.40419426680930 15.999 > 11 44 O 0.62057834059169 0.38853703979594 0.90419426680930 15.999 > 11 45 O 0.62057834059169 0.61146296020406 0.40419426680930 15.999 > 13 46 O 0.62057834059169 0.61146296020406 0.90419426680930 15.999 > 13 47 O 0.37942165940831 0.61146296020406 0.09580573319070 15.999 > 15 48 O 0.37942165940831 0.61146296020406 0.59580573319070 15.999 > 15 49 O 0.15391521466276 0.50000000000000 0.10438099025529 15.999 > 17 50 O 0.15391521466276 0.50000000000000 0.60438099025529 15.999 > 17 51 O 0.84608478533724 0.50000000000000 0.39561900974471 15.999 > 19 52 O 0.84608478533724 0.50000000000000 0.89561900974471 15.999 > 19 53 O 0.89530561527386 0.77080656403237 0.38627557362429 15.999 > 21 54 O 0.89530561527386 0.77080656403237 0.88627557362429 15.999 > 21 55 O 0.10469438472614 0.77080656403237 0.11372442637571 15.999 > 23 56 O 0.10469438472614 0.77080656403237 0.61372442637571 15.999 > 23 57 O 0.10469438472614 0.22919343596763 0.11372442637571 15.999 > 25 58 O 0.10469438472614 0.22919343596763 0.61372442637571 15.999 > 25 59 O 0.38752958668845 0.50000000000000 0.40084693599060 15.999 > 27 60 O 0.38752958668845 0.50000000000000 0.90084693599060 15.999 > 27 61 O 0.61247041331155 0.50000000000000 0.09915306400940 15.999 > 29 62 O 0.61247041331155 0.50000000000000 0.59915306400940 15.999 > 29 63 O 0.89530561527386 0.22919343596763 0.38627557362429 15.999 > 31 64 O 0.89530561527386 0.22919343596763 0.88627557362429 15.999 > 31 65 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 65 66 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 65 67 Na 0.50000000000000 0.24099567338794 0.25000000000000 22.990 > 67 68 Na 0.50000000000000 0.24099567338794 0.75000000000000 22.990 > 67 69 Na 0.50000000000000 0.75900432661206 0.25000000000000 22.990 > 69 70 Na 0.50000000000000 0.75900432661206 0.75000000000000 22.990 > 69 71 Na 0.00000000000000 0.00000000000000 0.25000000000000 22.990 > 71 72 Na 0.00000000000000 0.00000000000000 0.75000000000000 22.990 > 71 73 Na 0.75424110004158 0.87368294835889 0.24019481040845 22.990 > 73 74 Na 0.75424110004158 0.87368294835889 0.74019481040845 22.990 > 73 75 Na 0.24575889995842 0.87368294835889 0.25980518959155 22.990 > 75 76 Na 0.24575889995842 0.87368294835889 0.75980518959155 22.990 > 75 77 Na 0.24575889995842 0.12631705164111 0.25980518959155 22.990 > 77 78 Na 0.24575889995842 0.12631705164111 0.75980518959155 22.990 > 77 79 Na 0.75424110004158 0.12631705164111 0.24019481040845 22.990 > 79 80 Na 0.75424110004158 0.12631705164111 0.74019481040845 22.990 > 79 81 Na 0.50000000000000 0.87588871242520 0.00000000000000 22.990 > 81 82 Na 0.50000000000000 0.87588871242520 0.50000000000000 22.990 > 81 83 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 83 84 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 83 85 Na 0.50000000000000 0.12411128757480 0.00000000000000 22.990 > 85 86 Na 0.50000000000000 0.12411128757480 0.50000000000000 22.990 > 85 87 Na 0.50000000000000 0.00000000000000 0.25000000000000 22.990 > 87 88 Na 0.50000000000000 0.00000000000000 0.75000000000000 22.990 > 87 89 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 65 90 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 65 91 Na 0.00000000000000 0.74099567338794 0.25000000000000 22.990 > 67 92 Na 0.00000000000000 0.74099567338794 0.75000000000000 22.990 > 67 93 Na 0.00000000000000 0.25900432661206 0.25000000000000 22.990 > 69 94 Na 0.00000000000000 0.25900432661206 0.75000000000000 22.990 > 69 95 Na 0.50000000000000 0.50000000000000 0.25000000000000 22.990 > 71 96 Na 0.50000000000000 0.50000000000000 0.75000000000000 22.990 > 71 97 Na 0.25424110004158 0.37368294835889 0.24019481040845 22.990 > 73 98 Na 0.25424110004158 0.37368294835889 0.74019481040845 22.990 > 73 99 Na 0.74575889995842 0.37368294835889 0.25980518959155 22.990 > 75 100 Na 0.74575889995842 0.37368294835889 0.75980518959155 22.990 > 75 101 Na 0.74575889995842 0.62631705164111 0.25980518959155 22.990 > 77 102 Na 0.74575889995842 0.62631705164111 0.75980518959155 22.990 > 77 103 Na 0.25424110004158 0.62631705164111 0.24019481040845 22.990 > 79 104 Na 0.25424110004158 0.62631705164111 0.74019481040845 22.990 > 79 105 Na 0.00000000000000 0.37588871242520 0.00000000000000 22.990 > 81 106 Na 0.00000000000000 0.37588871242520 0.50000000000000 22.990 > 81 107 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 83 108 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 83 109 Na 0.00000000000000 0.62411128757480 0.00000000000000 22.990 > 85 110 Na 0.00000000000000 0.62411128757480 0.50000000000000 22.990 > 85 111 Na 0.00000000000000 0.50000000000000 0.25000000000000 22.990 > 87 112 Na 0.00000000000000 0.50000000000000 0.75000000000000 22.990 > 87 113 Nb 0.26089217743062 0.00000000000000 0.01460668400403 92.906 > 113 114 Nb 0.26089217743062 0.00000000000000 0.51460668400403 92.906 > 113 115 Nb 0.73910782256938 0.00000000000000 0.48539331599597 92.906 > 115 116 Nb 0.73910782256938 0.00000000000000 0.98539331599597 92.906 > 115 117 Nb 0.50000000000000 0.36676450074788 0.00000000000000 92.906 > 117 118 Nb 0.50000000000000 0.36676450074788 0.50000000000000 92.906 > 117 119 Nb 0.50000000000000 0.63323549925212 0.00000000000000 92.906 > 119 120 Nb 0.50000000000000 0.63323549925212 0.50000000000000 92.906 > 119 121 Nb 0.76089217743062 0.50000000000000 0.01460668400403 92.906 > 113 122 Nb 0.76089217743062 0.50000000000000 0.51460668400403 92.906 > 113 123 Nb 0.23910782256938 0.50000000000000 0.48539331599597 92.906 > 115 124 Nb 0.23910782256938 0.50000000000000 0.98539331599597 92.906 > 115 125 Nb 0.00000000000000 0.86676450074788 0.00000000000000 92.906 > 117 126 Nb 0.00000000000000 0.86676450074788 0.50000000000000 92.906 > 117 127 Nb 0.00000000000000 0.13323549925212 0.00000000000000 92.906 > 119 128 Nb 0.00000000000000 0.13323549925212 0.50000000000000 92.906 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6849705 0.0000000 0.0356569 0.0000000 3.5287023 0.0000000 0.0356571 0.0000000 3.2053308 -------------------------- Born effective charges -------------------------- 1 O -1.6794247 -0.7457865 -0.6231437 -0.6139967 -2.3401950 -0.8459807 -0.3779622 -0.7220236 -1.7331721 2 O -1.6794247 0.7457865 -0.6231437 0.6139967 -2.3401950 0.8459807 -0.3779622 0.7220236 -1.7331721 3 O -1.6794247 -0.7457865 -0.6231437 -0.6139967 -2.3401950 -0.8459807 -0.3779622 -0.7220236 -1.7331721 4 O -1.6794247 0.7457865 -0.6231437 0.6139967 -2.3401950 0.8459807 -0.3779622 0.7220236 -1.7331721 5 O -2.8435729 0.5859583 0.4415011 0.6418834 -1.7410678 0.2975454 0.2560429 0.2975801 -1.6743495 6 O -2.8435729 -0.5859583 0.4415011 -0.6418834 -1.7410678 -0.2975454 0.2560429 -0.2975801 -1.6743495 7 O -2.8435729 0.5859583 0.4415011 0.6418834 -1.7410678 0.2975454 0.2560429 0.2975801 -1.6743495 8 O -2.8435729 -0.5859583 0.4415011 -0.6418834 -1.7410678 -0.2975454 0.2560429 -0.2975801 -1.6743495 9 O -2.5804831 0.0000000 1.0321541 0.0000000 -1.1112798 0.0000000 0.9688447 0.0000000 -2.0097536 10 O -2.5804831 0.0000000 1.0321541 0.0000000 -1.1112798 0.0000000 0.9688447 0.0000000 -2.0097536 11 O -1.5123725 -0.6570201 -0.4729127 -0.5969978 -2.3326600 -1.0644070 -0.4399936 -0.7964375 -1.8940299 12 O -1.5123725 0.6570201 -0.4729127 0.5969978 -2.3326600 1.0644070 -0.4399936 0.7964375 -1.8940299 13 O -1.5123725 -0.6570201 -0.4729127 -0.5969978 -2.3326600 -1.0644070 -0.4399936 -0.7964375 -1.8940299 14 O -2.5624816 0.0000000 0.0713510 0.0000000 -2.3168881 0.0000000 -0.0411938 0.0000000 -1.5845552 15 O -2.5624816 0.0000000 0.0713510 0.0000000 -2.3168881 0.0000000 -0.0411938 0.0000000 -1.5845552 16 O -1.5123725 0.6570201 -0.4729127 0.5969978 -2.3326600 1.0644070 -0.4399936 0.7964375 -1.8940299 17 Na 1.0706464 0.3867281 -0.0741641 0.2916543 1.3122350 -0.2010695 -0.0004137 -0.0579332 0.5594987 18 Na 0.9177850 0.0000000 0.0960355 0.0000000 1.3254328 0.0000000 -0.0173886 0.0000000 1.4307477 19 Na 0.9177850 0.0000000 0.0960355 0.0000000 1.3254328 0.0000000 -0.0173886 0.0000000 1.4307477 20 Na 0.7085252 0.0000000 -0.2610171 0.0000000 0.6919479 0.0000000 -0.0326443 0.0000000 1.5324656 21 Na 0.9760041 0.2031293 -0.0330877 0.0974206 0.9948355 0.2120111 0.0085491 0.0145296 1.4661908 22 Na 0.9760041 -0.2031293 -0.0330877 -0.0974206 0.9948355 -0.2120111 0.0085491 -0.0145296 1.4661908 23 Na 0.9760041 0.2031293 -0.0330877 0.0974206 0.9948355 0.2120111 0.0085491 0.0145296 1.4661908 24 Na 0.9760041 -0.2031293 -0.0330877 -0.0974206 0.9948355 -0.2120111 0.0085491 -0.0145296 1.4661908 25 Na 1.3249922 0.0000000 0.0147362 0.0000000 1.2296216 0.0000000 -0.0568961 0.0000000 0.5574710 26 Na 1.0706464 -0.3867281 -0.0741641 -0.2916543 1.3122350 0.2010695 -0.0004137 0.0579332 0.5594987 27 Na 1.3249922 0.0000000 0.0147362 0.0000000 1.2296216 0.0000000 -0.0568961 0.0000000 0.5574710 28 Na 1.4398661 0.0000000 0.1363849 0.0000000 0.6439973 0.0000000 0.0171814 0.0000000 1.3704408 29 Nb 5.5051168 0.0000000 0.5610042 0.0000000 4.7664442 0.0000000 0.0647916 0.0000000 3.7477007 30 Nb 5.5051168 0.0000000 0.5610042 0.0000000 4.7664442 0.0000000 0.0647916 0.0000000 3.7477007 31 Nb 5.3689605 0.0000000 -0.2635148 0.0000000 4.9646362 0.0000000 0.1967148 0.0000000 3.5181588 32 Nb 5.3689605 0.0000000 -0.2635148 0.0000000 4.9646362 0.0000000 0.1967148 0.0000000 3.5181588 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000006 (xxx) -0.00000006 (xxx) -0.00000006 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 6 9 ] 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: 0.57, Number of G-points: 301, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/97) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 3.008 ( 0.000 0.000 0.000) 0.000 3.202 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.927 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.358 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.737 ( 0.000 0.000 0.000) 0.000 4.892 ( 0.000 0.000 0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.062 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.198 ( 0.000 0.000 0.000) 0.000 5.331 ( 0.000 0.000 0.000) 0.000 5.508 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.721 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.148 ( 0.000 0.000 0.000) 0.000 6.178 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.394 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.676 ( 0.000 0.000 0.000) 0.000 6.683 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 0.000) 0.000 6.932 ( 0.000 0.000 0.000) 0.000 7.276 ( 0.000 0.000 0.000) 0.000 7.347 ( 0.000 0.000 0.000) 0.000 7.460 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 7.641 ( 0.000 0.000 0.000) 0.000 7.727 ( 0.000 0.000 0.000) 0.000 7.882 ( 0.000 0.000 0.000) 0.000 7.911 ( 0.000 0.000 0.000) 0.000 7.980 ( 0.000 0.000 0.000) 0.000 8.135 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.393 ( 0.000 0.000 0.000) 0.000 8.436 ( 0.000 0.000 0.000) 0.000 8.712 ( 0.000 0.000 0.000) 0.000 8.726 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.541 ( 0.000 0.000 0.000) 0.000 9.628 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 10.087 ( 0.000 0.000 0.000) 0.000 10.121 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.330 ( 0.000 0.000 0.000) 0.000 10.424 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.884 ( 0.000 0.000 0.000) 0.000 11.159 ( 0.000 0.000 0.000) 0.000 11.239 ( 0.000 0.000 0.000) 0.000 11.318 ( 0.000 0.000 0.000) 0.000 11.939 ( 0.000 0.000 0.000) 0.000 12.215 ( 0.000 0.000 0.000) 0.000 12.239 ( 0.000 0.000 0.000) 0.000 12.241 ( 0.000 0.000 0.000) 0.000 12.488 ( 0.000 0.000 0.000) 0.000 12.728 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 0.000 0.000) 0.000 12.798 ( 0.000 0.000 0.000) 0.000 12.864 ( 0.000 0.000 0.000) 0.000 13.376 ( 0.000 0.000 0.000) 0.000 14.303 ( 0.000 0.000 0.000) 0.000 14.637 ( 0.000 0.000 0.000) 0.000 14.970 ( 0.000 0.000 0.000) 0.000 15.687 ( 0.000 0.000 0.000) 0.000 16.596 ( 0.000 0.000 0.000) 0.000 16.655 ( 0.000 0.000 0.000) 0.000 18.322 ( 0.000 0.000 0.000) 0.000 18.679 ( 0.000 0.000 0.000) 0.000 18.962 ( 0.000 0.000 0.000) 0.000 19.485 ( 0.000 0.000 0.000) 0.000 19.580 ( 0.000 0.000 0.000) 0.000 20.546 ( 0.000 0.000 0.000) 0.000 21.194 ( 0.000 0.000 0.000) 0.000 21.372 ( 0.000 0.000 0.000) 0.000 21.808 ( 0.000 0.000 0.000) 0.000 22.586 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/97) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 15.702 -17.751 26.090) 35.247 0.783 ( 27.129 -24.818 8.817) 37.811 1.192 ( 45.293 -34.668 2.204) 57.081 1.731 ( 6.654 6.144 -14.428) 17.035 2.839 ( -2.289 8.866 -5.232) 10.546 3.004 ( 1.720 -1.669 -2.188) 3.245 3.155 ( -5.624 5.633 0.778) 7.998 3.246 ( -6.651 2.866 0.476) 7.258 3.427 ( -0.379 0.542 0.984) 1.185 3.646 ( 1.193 -1.061 1.630) 2.282 3.803 ( 4.424 -3.832 3.792) 6.974 3.865 ( -3.782 4.499 4.724) 7.541 4.051 ( -3.122 -2.873 3.332) 5.395 4.186 ( -2.153 -12.131 -3.292) 12.753 4.262 ( -9.804 3.304 -0.868) 10.382 4.397 ( -4.891 -6.176 -1.375) 7.998 4.711 ( -12.583 -8.157 4.404) 15.629 4.823 ( 0.165 5.752 -4.522) 7.318 5.008 ( 1.614 0.730 -1.970) 2.649 5.071 ( 0.254 3.817 -2.419) 4.526 5.128 ( 1.632 3.590 1.806) 4.337 5.242 ( 1.329 -5.116 -1.835) 5.595 5.346 ( -2.091 11.039 4.293) 12.028 5.451 ( 2.735 1.065 4.749) 5.582 5.570 ( -0.512 3.440 -4.745) 5.883 5.835 ( 0.483 -0.351 2.274) 2.351 5.980 ( -7.999 3.645 0.545) 8.808 6.048 ( -3.498 3.936 -2.234) 5.720 6.185 ( -5.773 2.784 2.160) 6.763 6.262 ( -2.926 -2.232 -3.531) 5.100 6.385 ( -3.702 -0.201 -2.063) 4.243 6.406 ( 9.860 1.068 7.524) 12.449 6.452 ( 0.739 4.029 0.692) 4.155 6.607 ( -4.890 -1.730 -3.552) 6.287 6.664 ( 2.323 0.578 5.299) 5.815 6.829 ( 9.466 -2.062 -3.978) 10.473 6.898 ( -2.659 -6.351 1.166) 6.983 6.964 ( 1.937 0.750 -2.381) 3.159 7.325 ( -3.136 3.960 3.256) 6.009 7.362 ( 2.337 0.016 0.311) 2.357 7.436 ( -7.904 -0.576 5.413) 9.597 7.565 ( -1.932 -7.282 -2.007) 7.796 7.678 ( 2.906 -0.709 -4.853) 5.700 7.771 ( -0.283 3.843 -2.803) 4.765 7.932 ( 1.492 -2.437 4.559) 5.381 8.020 ( 3.909 -0.142 2.415) 4.598 8.058 ( 6.433 -0.705 2.443) 6.917 8.142 ( 2.761 -0.082 3.897) 4.777 8.304 ( -6.663 -3.150 1.943) 7.622 8.418 ( 3.701 -4.963 -0.496) 6.211 8.617 ( -1.387 -8.920 0.439) 9.037 8.692 ( 0.456 3.553 0.094) 3.584 8.781 ( -0.137 -1.653 -2.172) 2.733 8.975 ( 1.857 2.925 -0.064) 3.465 9.049 ( -1.646 -1.125 3.052) 3.645 9.171 ( 4.281 4.385 -2.418) 6.588 9.284 ( 5.360 -0.281 -4.717) 7.145 9.386 ( -6.452 1.284 -8.670) 10.883 9.593 ( -5.116 -0.255 -0.183) 5.126 9.784 ( 10.863 1.871 3.568) 11.586 10.056 ( -3.179 -0.342 1.968) 3.755 10.178 ( 4.346 0.453 0.079) 4.370 10.291 ( -2.768 0.213 -1.646) 3.227 10.348 ( -0.215 -4.785 -2.521) 5.412 10.483 ( 3.297 -1.945 1.902) 4.274 10.761 ( -8.665 3.953 -5.460) 10.978 11.021 ( 0.143 10.523 2.495) 10.816 11.201 ( 12.666 12.218 1.164) 17.637 11.409 ( 1.634 -9.482 0.439) 9.632 11.922 ( -2.010 3.151 5.048) 6.281 12.101 ( -3.921 2.586 4.074) 6.218 12.178 ( 3.583 6.120 -10.527) 12.692 12.276 ( 4.197 2.995 -3.984) 6.516 12.328 ( 6.633 3.448 6.041) 9.612 12.510 ( -0.522 1.054 -0.149) 1.185 12.713 ( -2.400 2.455 -0.426) 3.460 12.784 ( -3.102 -4.389 0.963) 5.460 12.881 ( 1.335 -1.954 -2.860) 3.712 13.115 ( -14.861 -15.536 -1.267) 21.537 13.384 ( 0.299 -0.808 -0.162) 0.877 14.652 ( 1.013 -1.395 -0.896) 1.943 14.864 ( 19.266 22.552 6.467) 30.358 14.978 ( -6.697 -8.929 -0.502) 11.172 15.952 ( 20.030 34.004 -5.746) 39.881 16.691 ( 9.281 -0.617 0.385) 9.309 17.753 ( -15.583 -31.439 -23.805) 42.402 18.342 ( 0.464 -2.845 -1.715) 3.354 18.894 ( 5.934 8.603 -13.096) 16.755 19.120 ( 17.590 7.955 -17.558) 26.096 19.467 ( -4.117 4.681 5.581) 8.367 20.417 ( -6.666 4.479 2.353) 8.368 20.846 ( -0.218 -4.752 15.187) 15.915 21.397 ( -0.494 -6.549 0.677) 6.603 21.491 ( -8.316 -16.888 -1.224) 18.865 22.355 ( -7.074 6.129 9.905) 13.628 22.653 ( 3.591 -1.294 3.698) 5.315 ======================= Grid point 2 (3/97) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 7.862 -15.752 23.033) 28.990 1.521 ( 24.717 -20.819 7.667) 33.213 1.620 ( 4.780 2.479 -10.347) 11.664 2.301 ( 38.229 -27.524 0.624) 47.111 2.587 ( -6.882 11.656 -7.893) 15.669 2.855 ( -15.073 11.144 -1.909) 18.842 3.059 ( 2.609 2.952 1.292) 4.146 3.158 ( -2.617 1.530 -0.625) 3.095 3.437 ( 0.217 -1.210 2.210) 2.529 3.657 ( -2.327 -1.125 -2.116) 3.340 3.807 ( 0.031 -2.029 0.623) 2.123 3.922 ( 0.388 -4.793 0.616) 4.848 4.034 ( 3.047 6.861 0.684) 7.538 4.061 ( -9.503 3.052 0.927) 10.024 4.329 ( -2.369 -14.371 1.430) 14.635 4.444 ( 1.983 -3.259 1.167) 3.989 4.582 ( -18.239 -1.644 5.883) 19.235 4.712 ( -1.949 3.234 -6.948) 7.908 4.904 ( 1.262 13.560 3.352) 14.025 4.999 ( -0.820 2.294 -6.819) 7.241 5.129 ( 1.272 4.635 0.979) 4.905 5.208 ( -0.818 2.149 -3.818) 4.457 5.300 ( -4.186 -1.368 2.160) 4.906 5.493 ( -0.200 -1.675 -0.424) 1.740 5.571 ( 5.002 -3.134 -2.859) 6.558 5.721 ( -0.861 9.714 1.975) 9.950 5.868 ( -1.499 5.270 3.220) 6.355 5.957 ( -6.682 2.404 -0.374) 7.111 6.123 ( -2.069 -2.356 1.807) 3.619 6.216 ( -3.814 -1.755 -2.966) 5.140 6.287 ( -2.541 4.429 -2.897) 5.871 6.383 ( -0.019 4.032 0.448) 4.057 6.558 ( 3.336 -1.133 -0.715) 3.595 6.604 ( 2.963 -3.830 1.088) 4.963 6.723 ( -2.170 -3.409 4.094) 5.752 6.884 ( 1.771 0.542 -3.286) 3.772 6.937 ( 1.142 1.560 -4.758) 5.135 7.025 ( 2.149 -6.549 0.090) 6.893 7.240 ( -2.226 2.624 3.764) 5.100 7.352 ( -0.932 2.215 -0.582) 2.473 7.450 ( 5.398 -0.050 0.524) 5.424 7.615 ( -2.371 1.180 2.188) 3.435 7.702 ( 0.884 -1.361 -1.143) 1.985 7.781 ( 3.616 -8.015 -3.270) 9.382 7.982 ( -0.168 -0.770 -0.911) 1.205 8.039 ( 1.196 1.773 5.292) 5.708 8.162 ( 0.603 0.031 3.278) 3.333 8.221 ( 1.352 -0.949 4.771) 5.049 8.336 ( 2.621 -4.849 4.178) 6.916 8.532 ( 0.705 -4.723 0.467) 4.798 8.628 ( 1.755 4.477 -2.972) 5.653 8.668 ( -4.446 -4.501 2.218) 6.704 8.797 ( 2.148 0.150 -4.239) 4.754 8.967 ( 2.432 1.685 -4.108) 5.063 9.043 ( -5.015 0.732 13.528) 14.446 9.217 ( 3.652 -1.175 3.417) 5.137 9.241 ( 1.139 3.338 -10.841) 11.401 9.347 ( 3.882 1.337 -4.094) 5.798 9.505 ( -5.565 -0.853 -2.840) 6.306 9.897 ( 4.982 0.942 3.127) 5.957 10.037 ( -0.154 0.520 -2.698) 2.752 10.227 ( -0.569 -1.601 -2.293) 2.854 10.244 ( 0.735 1.905 1.931) 2.811 10.382 ( -2.775 -3.240 -1.348) 4.474 10.554 ( 2.098 -0.938 0.653) 2.389 10.568 ( -2.937 3.804 -3.296) 5.827 10.938 ( -0.851 3.651 1.614) 4.082 11.249 ( 6.666 4.193 0.467) 7.889 11.511 ( -0.107 -4.965 -0.492) 4.990 11.859 ( -3.529 2.374 5.141) 6.672 12.016 ( -3.693 5.069 1.279) 6.401 12.154 ( 6.641 1.360 -7.780) 10.319 12.263 ( -0.332 1.880 0.592) 1.999 12.411 ( 5.854 3.878 6.830) 9.796 12.479 ( -4.332 -4.707 -4.971) 8.101 12.627 ( -4.402 1.765 -0.132) 4.744 12.809 ( -0.942 -2.716 0.960) 3.031 12.915 ( 1.920 -2.105 -3.745) 4.705 13.070 ( -5.547 -1.767 1.334) 5.972 13.397 ( 0.087 -0.677 -0.047) 0.684 14.685 ( 1.360 -1.286 -0.927) 2.089 14.912 ( 13.916 14.224 5.228) 20.575 14.985 ( -11.461 -13.977 -1.243) 18.118 15.792 ( 3.856 13.671 -2.834) 14.484 16.828 ( 6.043 -1.044 0.427) 6.147 17.807 ( -3.540 -11.221 -7.191) 13.790 18.380 ( 0.439 -2.861 -1.259) 3.156 18.812 ( 2.574 5.454 -7.011) 9.248 19.173 ( 4.565 0.368 -4.475) 6.404 19.364 ( -4.089 3.299 1.265) 5.404 20.313 ( -2.193 2.638 0.692) 3.500 20.926 ( -0.831 -1.819 4.060) 4.525 21.527 ( 4.727 -3.864 4.097) 7.353 21.574 ( -0.089 -7.232 -1.958) 7.493 22.216 ( -6.295 4.215 2.954) 8.131 22.729 ( 2.207 -1.094 1.887) 3.103 ======================= Grid point 3 (4/97) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 -0.000 0.000) 0.000 1.655 ( 0.000 -0.000 0.000) 0.000 2.007 ( 0.000 -0.000 0.000) 0.000 2.380 ( 0.000 -0.000 0.000) 0.000 2.527 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 3.037 ( 0.000 -0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 -0.000 0.000) 0.000 3.627 ( 0.000 -0.000 0.000) 0.000 3.868 ( 0.000 -0.000 -0.000) 0.000 3.901 ( -0.000 0.000 0.000) 0.000 3.971 ( 0.000 -0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 -0.000 0.000) 0.000 4.487 ( 0.000 -0.000 0.000) 0.000 4.554 ( 0.000 -0.000 0.000) 0.000 4.584 ( -0.000 0.000 -0.000) 0.000 4.836 ( 0.000 -0.000 0.000) 0.000 4.949 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 -0.000 0.000) 0.000 5.178 ( 0.000 -0.000 0.000) 0.000 5.278 ( 0.000 -0.000 0.000) 0.000 5.508 ( 0.000 -0.000 0.000) 0.000 5.639 ( 0.000 -0.000 0.000) 0.000 5.685 ( 0.000 -0.000 0.000) 0.000 5.842 ( -0.000 0.000 -0.000) 0.000 5.843 ( 0.000 -0.000 0.000) 0.000 6.133 ( 0.000 -0.000 0.000) 0.000 6.182 ( 0.000 -0.000 0.000) 0.000 6.224 ( 0.000 -0.000 0.000) 0.000 6.364 ( 0.000 -0.000 0.000) 0.000 6.583 ( 0.000 -0.000 -0.000) 0.000 6.656 ( 0.000 -0.000 0.000) 0.000 6.756 ( 0.000 -0.000 0.000) 0.000 6.888 ( 0.000 0.000 -0.000) 0.000 6.907 ( -0.000 -0.000 0.000) 0.000 7.086 ( 0.000 -0.000 0.000) 0.000 7.225 ( 0.000 -0.000 0.000) 0.000 7.324 ( 0.000 -0.000 0.000) 0.000 7.533 ( 0.000 -0.000 -0.000) 0.000 7.548 ( -0.000 0.000 0.000) 0.000 7.714 ( 0.000 -0.000 0.000) 0.000 7.908 ( 0.000 -0.000 0.000) 0.000 7.976 ( 0.000 -0.000 0.000) 0.000 8.033 ( 0.000 0.000 0.000) 0.000 8.171 ( 0.000 -0.000 0.000) 0.000 8.251 ( 0.000 -0.000 0.000) 0.000 8.404 ( 0.000 -0.000 0.000) 0.000 8.546 ( 0.000 -0.000 0.000) 0.000 8.639 ( -0.000 -0.000 0.000) 0.000 8.658 ( 0.000 0.000 -0.000) 0.000 8.794 ( 0.000 -0.000 0.000) 0.000 8.963 ( 0.000 -0.000 0.000) 0.000 9.034 ( -0.000 -0.000 0.000) 0.000 9.196 ( 0.000 -0.000 -0.000) 0.000 9.296 ( 0.000 -0.000 0.000) 0.000 9.340 ( 0.000 -0.000 0.000) 0.000 9.454 ( 0.000 -0.000 0.000) 0.000 9.952 ( -0.000 0.000 -0.000) 0.000 10.006 ( 0.000 -0.000 0.000) 0.000 10.205 ( 0.000 -0.000 0.000) 0.000 10.252 ( 0.000 -0.000 -0.000) 0.000 10.365 ( 0.000 -0.000 0.000) 0.000 10.539 ( 0.000 -0.000 0.000) 0.000 10.576 ( 0.000 -0.000 -0.000) 0.000 10.913 ( 0.000 -0.000 0.000) 0.000 11.279 ( 0.000 -0.000 -0.000) 0.000 11.538 ( 0.000 -0.000 0.000) 0.000 11.838 ( 0.000 -0.000 0.000) 0.000 11.936 ( 0.000 -0.000 0.000) 0.000 12.198 ( -0.000 -0.000 0.000) 0.000 12.235 ( 0.000 -0.000 -0.000) 0.000 12.447 ( -0.000 -0.000 -0.000) 0.000 12.474 ( 0.000 0.000 0.000) 0.000 12.568 ( 0.000 -0.000 0.000) 0.000 12.823 ( 0.000 -0.000 0.000) 0.000 12.940 ( 0.000 -0.000 0.000) 0.000 13.034 ( 0.000 -0.000 -0.000) 0.000 13.402 ( 0.000 -0.000 0.000) 0.000 14.704 ( 0.000 -0.000 -0.000) 0.000 14.947 ( -0.000 -0.000 0.000) 0.000 14.981 ( 0.000 0.000 0.000) 0.000 15.721 ( 0.000 -0.000 0.000) 0.000 16.883 ( 0.000 -0.000 0.000) 0.000 17.837 ( 0.000 -0.000 0.000) 0.000 18.402 ( 0.000 -0.000 0.000) 0.000 18.773 ( 0.000 -0.000 0.000) 0.000 19.199 ( 0.000 -0.000 0.000) 0.000 19.306 ( 0.000 -0.000 0.000) 0.000 20.283 ( 0.000 -0.000 -0.000) 0.000 20.938 ( 0.000 -0.000 0.000) 0.000 21.590 ( 0.000 -0.000 0.000) 0.000 21.645 ( 0.000 -0.000 0.000) 0.000 22.135 ( 0.000 -0.000 0.000) 0.000 22.759 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 8 (5/97) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 18.989 0.000 24.362) 30.888 1.108 ( 33.642 0.000 5.024) 34.015 1.664 ( 12.835 0.000 -5.382) 13.917 1.937 ( 44.064 0.000 2.352) 44.127 2.853 ( -6.345 -0.000 -7.648) 9.937 2.881 ( -5.442 -0.000 -6.324) 8.343 3.025 ( -5.352 -0.000 -4.835) 7.212 3.290 ( 0.870 0.000 2.218) 2.383 3.481 ( -0.312 -0.000 7.121) 7.128 3.679 ( -14.770 -0.000 0.493) 14.778 3.768 ( 5.600 0.000 0.734) 5.648 3.895 ( -3.582 -0.000 0.334) 3.598 3.926 ( 4.978 0.000 8.844) 10.148 4.128 ( -6.088 -0.000 2.209) 6.477 4.220 ( 5.521 0.000 -1.626) 5.756 4.329 ( -1.365 -0.000 -1.416) 1.967 4.482 ( -15.351 -0.000 9.885) 18.259 4.811 ( -1.118 -0.000 -9.389) 9.455 5.017 ( -6.105 -0.000 0.616) 6.136 5.066 ( 4.054 0.000 -0.439) 4.078 5.165 ( 2.940 0.000 -2.824) 4.076 5.241 ( -2.596 -0.000 0.584) 2.661 5.389 ( -3.781 -0.000 -3.598) 5.220 5.454 ( -4.395 -0.000 8.753) 9.794 5.612 ( -4.606 -0.000 -4.795) 6.649 5.733 ( 1.277 0.000 -3.307) 3.545 5.935 ( -4.387 -0.000 -1.187) 4.545 6.041 ( -3.154 -0.000 6.793) 7.490 6.149 ( -0.972 -0.000 -1.773) 2.022 6.154 ( -3.942 -0.000 -2.830) 4.853 6.336 ( -4.257 -0.000 0.695) 4.313 6.428 ( -5.342 -0.000 -2.806) 6.034 6.525 ( -1.568 -0.000 8.048) 8.200 6.603 ( 8.002 0.000 -2.076) 8.267 6.681 ( -3.664 -0.000 6.364) 7.343 6.859 ( 2.422 0.000 -1.114) 2.666 6.948 ( 10.691 0.000 -7.970) 13.335 6.976 ( 2.727 0.000 -3.727) 4.618 7.315 ( -7.517 -0.000 6.833) 10.158 7.405 ( 2.161 0.000 3.722) 4.304 7.431 ( -0.514 -0.000 -4.835) 4.862 7.485 ( 7.030 0.000 -0.348) 7.038 7.677 ( 1.360 0.000 -3.967) 4.194 7.743 ( -5.052 -0.000 -0.204) 5.056 7.986 ( 1.609 0.000 8.923) 9.067 8.097 ( 0.932 0.000 4.804) 4.894 8.160 ( 7.010 0.000 1.790) 7.235 8.167 ( 1.697 0.000 4.405) 4.720 8.201 ( -2.070 -0.000 1.865) 2.786 8.496 ( 0.607 0.000 6.931) 6.958 8.576 ( -0.501 -0.000 0.025) 0.502 8.750 ( 3.604 0.000 -3.778) 5.221 8.759 ( 2.437 0.000 -1.175) 2.705 9.016 ( -0.807 -0.000 -2.126) 2.274 9.047 ( -1.828 -0.000 11.144) 11.293 9.193 ( 0.937 0.000 -2.365) 2.544 9.295 ( -0.156 -0.000 -11.016) 11.017 9.360 ( 7.967 0.000 -4.296) 9.052 9.495 ( -4.819 -0.000 -4.395) 6.522 9.961 ( 7.987 0.000 0.661) 8.014 9.991 ( -4.652 -0.000 1.963) 5.049 10.190 ( -0.983 -0.000 -3.939) 4.060 10.280 ( 1.135 0.000 -0.735) 1.353 10.310 ( 0.174 0.000 -3.315) 3.320 10.543 ( 4.405 0.000 0.185) 4.409 10.631 ( -6.697 -0.000 -4.503) 8.070 11.060 ( -6.653 -0.000 -0.914) 6.715 11.188 ( -0.923 -0.000 -1.722) 1.954 11.549 ( 9.904 0.000 1.489) 10.016 11.886 ( -7.598 -0.000 4.189) 8.677 12.102 ( 0.994 0.000 0.176) 1.009 12.212 ( -1.169 -0.000 -1.257) 1.717 12.253 ( -0.165 -0.000 -16.311) 16.311 12.334 ( -2.410 -0.000 0.059) 2.411 12.561 ( -4.622 -0.000 5.645) 7.296 12.717 ( 0.276 0.000 -1.938) 1.958 12.771 ( 3.122 0.000 -2.046) 3.733 12.845 ( 1.255 0.000 -1.620) 2.049 12.989 ( 1.057 0.000 9.297) 9.357 13.387 ( 0.735 0.000 -0.022) 0.735 14.650 ( 1.285 0.000 0.211) 1.302 14.767 ( -12.836 -0.000 1.394) 12.911 15.099 ( 3.203 0.000 7.055) 7.749 16.372 ( -4.415 -0.000 -16.703) 17.276 16.705 ( 0.218 0.000 6.651) 6.654 17.484 ( 19.482 0.000 -15.299) 24.771 18.331 ( 2.092 0.000 -1.792) 2.754 18.917 ( 1.931 0.000 -9.549) 9.742 19.258 ( 8.234 0.000 -21.032) 22.586 19.337 ( -13.495 -0.000 0.435) 13.502 20.577 ( 5.220 0.000 -9.876) 11.171 20.671 ( -11.389 -0.000 30.889) 32.922 21.452 ( 10.962 0.000 7.340) 13.193 21.459 ( 5.199 0.000 -1.353) 5.372 22.277 ( -10.198 -0.000 4.216) 11.035 22.713 ( 2.414 0.000 3.433) 4.197 ======================= Grid point 9 (6/97) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 5.515 -1.410 16.802) 17.740 1.698 ( 24.105 -9.744 1.641) 26.052 1.777 ( 16.053 -0.374 0.589) 16.068 2.580 ( -0.167 4.487 -8.145) 9.300 2.586 ( 4.558 7.312 -2.730) 9.039 2.757 ( -2.240 -2.454 -3.687) 4.963 3.048 ( 6.959 -2.958 -4.271) 8.685 3.234 ( -0.551 3.100 -2.725) 4.164 3.505 ( 3.148 2.347 7.853) 8.780 3.564 ( 0.216 -2.069 5.178) 5.581 3.810 ( -4.756 -0.552 -0.553) 4.819 3.853 ( 3.453 -2.425 -0.279) 4.229 4.015 ( -4.080 2.481 3.158) 5.725 4.188 ( 2.810 -3.238 0.372) 4.303 4.200 ( 0.221 3.032 5.043) 5.888 4.344 ( -8.497 -4.016 8.813) 12.884 4.395 ( 1.146 -6.394 1.195) 6.605 4.715 ( -0.913 3.704 -8.270) 9.108 4.943 ( -4.201 -0.081 -1.187) 4.366 5.082 ( -2.321 4.900 0.422) 5.439 5.094 ( -3.543 1.232 -1.025) 3.889 5.186 ( -6.696 6.257 -2.548) 9.512 5.273 ( 0.447 -0.802 1.935) 2.142 5.416 ( -3.939 -5.741 -4.019) 8.040 5.575 ( 0.036 -0.735 -0.968) 1.216 5.766 ( -3.303 -4.990 -1.884) 6.274 5.808 ( -1.547 7.310 -0.181) 7.474 5.999 ( -5.019 4.461 -3.182) 7.431 6.086 ( -1.308 -0.880 6.866) 7.044 6.153 ( -1.701 -2.352 -0.402) 2.930 6.286 ( -0.992 0.385 0.164) 1.077 6.359 ( -1.429 4.520 3.005) 5.613 6.568 ( -0.322 -5.189 4.383) 6.800 6.671 ( -1.215 -0.968 4.989) 5.225 6.703 ( 6.120 1.140 -1.169) 6.334 6.876 ( 0.226 1.107 -3.005) 3.210 6.986 ( 3.521 2.419 -4.620) 6.292 7.046 ( 6.173 -2.304 -5.721) 8.727 7.266 ( -0.479 2.710 4.677) 5.427 7.364 ( 0.033 2.886 -1.705) 3.352 7.478 ( -3.694 -4.519 0.511) 5.858 7.569 ( 0.120 1.505 -1.146) 1.895 7.684 ( 0.879 -1.124 -2.640) 3.001 7.742 ( 5.570 -7.199 -1.579) 9.238 8.031 ( 0.904 2.877 6.738) 7.382 8.073 ( -3.767 1.582 2.621) 4.855 8.206 ( 0.972 0.717 5.314) 5.450 8.230 ( 2.735 -0.303 0.663) 2.830 8.332 ( 3.723 -5.947 2.906) 7.594 8.464 ( -6.186 -0.419 7.388) 9.645 8.578 ( -2.101 -2.537 3.157) 4.563 8.759 ( 3.854 2.844 -1.728) 5.092 8.824 ( 3.609 0.182 -1.330) 3.851 8.978 ( -0.958 2.106 -0.078) 2.315 9.036 ( -4.467 0.013 7.907) 9.081 9.231 ( -0.696 1.510 -7.336) 7.522 9.263 ( 5.599 -1.360 -1.722) 6.013 9.355 ( -1.622 0.367 -12.167) 12.280 9.483 ( 3.996 1.111 0.379) 4.165 9.942 ( -1.793 -0.090 3.269) 3.729 10.026 ( 0.633 1.096 -3.312) 3.546 10.165 ( -1.487 -2.429 -2.058) 3.514 10.247 ( -3.593 -0.002 -4.436) 5.708 10.305 ( -0.761 -2.544 -1.406) 3.005 10.572 ( 2.493 1.479 -1.658) 3.340 10.594 ( 2.758 0.601 -1.693) 3.292 10.938 ( -4.901 1.140 -1.117) 5.155 11.204 ( -1.045 -2.981 -2.619) 4.103 11.653 ( 8.300 5.286 0.708) 9.866 11.797 ( -6.635 -1.501 2.809) 7.359 12.034 ( -5.199 5.107 -0.717) 7.323 12.175 ( 1.027 -1.159 -9.478) 9.603 12.224 ( -1.854 -2.246 -0.729) 3.003 12.281 ( -5.729 -4.255 -3.389) 7.900 12.561 ( 3.283 1.695 2.775) 4.621 12.689 ( 2.115 4.835 -0.902) 5.354 12.803 ( 2.243 0.564 2.705) 3.559 12.895 ( 2.999 -3.393 -4.017) 6.053 13.042 ( -1.148 0.282 8.741) 8.821 13.402 ( 0.920 -0.025 0.346) 0.984 14.605 ( -14.172 -6.012 2.212) 15.552 14.703 ( 1.189 -3.333 -0.719) 3.611 15.189 ( 6.330 3.097 8.837) 11.302 16.067 ( 0.951 19.515 -12.145) 23.005 16.801 ( -2.039 -6.485 3.630) 7.707 17.732 ( 12.071 -5.362 -5.345) 14.249 18.379 ( 3.600 -1.051 -0.376) 3.769 18.867 ( 0.710 5.201 -5.691) 7.742 19.158 ( -6.676 -2.877 -1.440) 7.411 19.270 ( -0.224 -1.459 -8.720) 8.844 20.455 ( 1.844 12.136 5.006) 13.257 20.801 ( -4.851 -10.647 6.556) 13.412 21.543 ( 4.448 -1.830 -2.004) 5.210 21.653 ( 9.624 0.038 4.968) 10.831 22.142 ( -8.054 0.347 0.894) 8.110 22.754 ( 0.757 -0.246 1.896) 2.057 ======================= Grid point 10 (7/97) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 2.506 -0.902 6.582) 7.101 1.743 ( -3.528 16.521 -6.372) 18.055 2.089 ( -0.181 14.108 -2.791) 14.382 2.330 ( -2.739 -2.564 -1.671) 4.107 2.525 ( 12.756 -7.065 0.472) 14.589 2.823 ( -2.839 -10.101 -3.843) 11.174 3.034 ( -7.179 18.278 2.065) 19.746 3.208 ( -0.113 0.994 -5.109) 5.206 3.531 ( 0.542 2.179 4.541) 5.066 3.655 ( -1.718 1.415 4.508) 5.028 3.818 ( 0.042 -3.358 0.050) 3.358 3.923 ( -1.561 0.650 1.634) 2.351 4.000 ( 11.355 2.430 3.286) 12.068 4.130 ( 1.090 4.856 -1.925) 5.336 4.276 ( 4.340 -14.110 6.183) 16.005 4.404 ( -2.763 -2.533 0.316) 3.761 4.577 ( 5.577 -6.829 2.035) 9.049 4.625 ( 0.926 4.603 -3.014) 5.580 4.856 ( 1.628 3.088 -4.558) 5.741 4.991 ( -1.146 -0.171 3.173) 3.378 5.051 ( -1.264 2.593 3.121) 4.250 5.103 ( -3.665 -5.188 0.141) 6.353 5.307 ( 2.267 -0.011 0.388) 2.300 5.438 ( -2.300 -8.942 -5.503) 10.749 5.553 ( -2.923 0.332 -0.358) 2.964 5.697 ( -4.257 2.290 3.713) 6.096 5.799 ( 0.976 -0.161 -7.001) 7.071 5.880 ( 1.185 0.638 -2.261) 2.631 6.126 ( -1.063 -3.582 5.496) 6.646 6.181 ( -0.461 -2.886 3.820) 4.809 6.297 ( -1.181 0.260 1.897) 2.250 6.314 ( 4.870 4.696 2.370) 7.169 6.620 ( -1.674 1.598 0.253) 2.328 6.675 ( -1.752 -0.662 3.241) 3.744 6.767 ( 1.663 -1.373 0.064) 2.158 6.822 ( -1.839 1.280 -1.799) 2.874 6.976 ( 2.114 3.075 -1.034) 3.873 7.141 ( 4.191 -3.604 -3.139) 6.357 7.249 ( 2.012 6.025 0.191) 6.354 7.305 ( -3.565 0.034 0.044) 3.565 7.441 ( -4.194 -2.912 -1.361) 5.284 7.546 ( 0.558 0.275 -2.531) 2.607 7.698 ( 0.129 -1.041 -0.749) 1.289 7.940 ( 2.384 0.576 1.220) 2.740 7.958 ( -1.422 -4.496 -3.163) 5.678 8.067 ( 1.850 4.535 9.760) 10.920 8.171 ( -2.465 3.597 -0.675) 4.413 8.232 ( -1.524 0.738 -3.332) 3.738 8.382 ( -1.375 -1.443 -2.036) 2.850 8.507 ( -1.838 -4.193 6.562) 8.001 8.617 ( 1.547 -0.067 6.321) 6.508 8.770 ( 1.606 0.955 -0.184) 1.878 8.830 ( 0.321 2.852 0.741) 2.964 8.941 ( -2.592 1.013 3.141) 4.197 9.030 ( 3.944 -0.109 -9.136) 9.951 9.177 ( -2.994 -0.510 5.626) 6.393 9.249 ( -2.798 1.071 -10.500) 10.919 9.324 ( 0.800 -0.070 1.026) 1.303 9.525 ( 3.528 0.048 -1.383) 3.790 9.917 ( -3.922 2.093 -1.838) 4.811 9.992 ( -1.473 -1.757 3.046) 3.812 10.177 ( -1.842 -3.199 -3.975) 5.425 10.216 ( 0.854 -2.828 0.046) 2.955 10.328 ( -0.097 -4.382 -1.715) 4.707 10.586 ( 2.730 3.525 -0.474) 4.484 10.599 ( 1.453 1.932 -1.248) 2.720 10.878 ( -3.493 -2.100 -1.765) 4.441 11.158 ( -6.060 -0.641 -4.699) 7.695 11.681 ( 3.034 4.534 1.921) 5.784 11.777 ( 0.487 -2.233 -1.919) 2.985 11.943 ( -0.111 -0.348 -0.272) 0.456 12.119 ( -5.360 -0.970 -1.029) 5.544 12.211 ( -2.442 -1.802 -4.088) 5.092 12.267 ( -3.217 -5.048 -1.613) 6.199 12.624 ( 5.258 1.353 1.701) 5.689 12.668 ( 4.729 5.817 -0.141) 7.498 12.836 ( 0.949 -0.237 1.096) 1.469 12.953 ( 2.761 -0.050 -3.155) 4.193 13.071 ( 1.163 0.044 8.443) 8.523 13.415 ( 0.955 0.594 0.399) 1.193 14.491 ( -16.991 -10.395 1.967) 20.016 14.753 ( 1.974 -0.668 -1.518) 2.579 15.287 ( 7.679 6.607 8.827) 13.437 15.833 ( 2.795 12.394 -8.873) 15.497 16.813 ( -5.455 -1.921 1.686) 6.024 17.910 ( 8.714 -1.273 -0.523) 8.822 18.435 ( 2.647 1.060 0.275) 2.864 18.776 ( -2.072 3.173 1.108) 3.949 19.173 ( -1.374 -6.412 0.880) 6.616 19.225 ( -1.458 -0.625 -6.873) 7.054 20.399 ( 3.896 7.464 5.072) 9.829 20.854 ( -4.772 -5.918 1.228) 7.701 21.593 ( 2.363 1.056 -2.017) 3.281 21.736 ( 2.762 5.193 2.417) 6.359 22.093 ( -0.901 -4.826 -1.377) 5.099 22.755 ( -1.060 0.742 0.362) 1.344 ======================= Grid point 11 (8/97) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -8.455 25.952 -12.953) 30.212 1.463 ( -7.548 14.524 -3.346) 16.707 1.648 ( -4.669 13.154 2.020) 14.103 2.335 ( -15.489 40.016 2.913) 43.008 2.566 ( 2.998 -8.741 2.436) 9.556 2.860 ( 4.006 -7.455 2.841) 8.927 3.023 ( 10.794 -11.200 1.945) 15.676 3.120 ( -5.679 -1.115 -7.912) 9.802 3.555 ( 1.553 1.119 5.745) 6.056 3.626 ( -2.573 -1.575 0.772) 3.114 3.787 ( -0.401 3.220 -1.034) 3.406 3.952 ( 0.463 0.967 1.466) 1.816 4.017 ( -0.164 5.020 -3.695) 6.236 4.195 ( 8.718 -1.199 0.314) 8.806 4.390 ( -1.446 -0.992 -0.665) 1.875 4.546 ( 0.183 -8.009 3.367) 8.690 4.628 ( 2.484 -3.487 -1.251) 4.460 4.676 ( 5.355 -7.457 1.103) 9.247 4.919 ( 3.004 1.005 -1.915) 3.701 4.987 ( 0.189 -1.233 -2.129) 2.467 5.042 ( 0.940 0.467 7.151) 7.228 5.165 ( -2.730 -4.227 3.421) 6.085 5.384 ( 5.790 0.974 -1.315) 6.017 5.488 ( -2.223 2.001 -1.531) 3.360 5.506 ( -2.541 -8.545 -3.507) 9.580 5.644 ( 0.299 1.014 4.982) 5.093 5.831 ( 8.129 -4.412 -2.214) 9.510 5.982 ( 4.628 -7.418 -2.316) 9.045 6.195 ( 1.128 -1.523 2.185) 2.892 6.244 ( -0.840 -2.974 1.805) 3.579 6.265 ( -0.999 -0.377 3.601) 3.756 6.380 ( 0.808 1.721 -1.330) 2.320 6.455 ( -7.138 1.562 -1.392) 7.439 6.666 ( -0.297 2.644 3.033) 4.034 6.780 ( 2.048 2.612 -2.573) 4.199 6.816 ( -2.336 -4.948 1.835) 5.772 6.929 ( -5.544 2.371 0.428) 6.045 7.114 ( -3.877 5.108 -2.551) 6.901 7.267 ( 8.833 3.658 1.544) 9.684 7.317 ( 1.606 -3.085 2.421) 4.238 7.432 ( 1.587 -0.468 -4.955) 5.224 7.545 ( -2.632 -5.041 -1.309) 5.836 7.699 ( -0.864 0.400 0.661) 1.159 7.865 ( 0.302 5.000 4.451) 6.701 7.986 ( -1.005 2.313 -4.930) 5.537 8.067 ( -0.280 5.341 9.798) 11.163 8.102 ( -6.034 1.644 -2.092) 6.595 8.188 ( 1.841 1.537 -9.349) 9.652 8.344 ( 1.863 0.238 -2.634) 3.235 8.511 ( -4.203 -1.070 1.303) 4.528 8.657 ( 1.650 2.776 2.026) 3.813 8.783 ( -1.540 -1.140 5.681) 5.996 8.808 ( 4.432 4.773 -0.069) 6.514 8.905 ( -3.009 -2.088 -1.731) 4.050 9.050 ( 3.479 0.137 -6.300) 7.198 9.136 ( -4.211 1.064 -5.832) 7.272 9.229 ( -2.051 -3.138 9.491) 10.204 9.342 ( 2.601 -1.591 2.412) 3.888 9.568 ( 0.287 -2.694 -2.694) 3.821 9.790 ( -5.749 3.709 -1.272) 6.959 10.023 ( -0.193 -2.714 0.337) 2.741 10.147 ( -3.778 -2.108 -2.326) 4.912 10.281 ( 2.415 -0.941 0.800) 2.712 10.446 ( 4.076 -6.456 0.320) 7.641 10.561 ( 0.973 0.759 1.235) 1.746 10.576 ( 0.463 3.291 -0.141) 3.327 10.854 ( -3.790 -3.966 -2.549) 6.049 11.017 ( -9.882 -1.556 -4.629) 11.023 11.664 ( 2.699 7.053 2.299) 7.894 11.819 ( 2.340 -2.406 -4.246) 5.412 12.013 ( 4.902 -4.478 -5.562) 8.661 12.063 ( -6.103 -2.390 8.381) 10.639 12.180 ( -3.088 -3.923 -4.058) 6.434 12.257 ( -3.396 -2.115 -0.765) 4.074 12.647 ( 3.140 6.460 2.664) 7.661 12.697 ( 3.518 0.968 -0.731) 3.721 12.857 ( 2.223 0.612 -0.767) 2.430 12.943 ( 0.045 2.601 0.339) 2.624 13.189 ( 7.309 -3.626 4.404) 9.271 13.415 ( 0.410 1.357 0.202) 1.431 14.366 ( -19.121 -10.536 0.731) 21.844 14.753 ( 0.741 2.586 -1.215) 2.952 15.301 ( 5.347 12.635 4.056) 14.307 15.746 ( 2.570 3.460 -3.483) 5.541 16.717 ( -7.391 1.576 0.487) 7.573 18.049 ( 9.547 0.637 3.268) 10.111 18.421 ( -0.620 2.755 -0.583) 2.884 18.748 ( -2.816 -0.276 5.290) 5.999 19.127 ( -4.527 3.431 0.595) 5.711 19.292 ( 1.586 -8.922 -3.662) 9.774 20.446 ( 8.533 3.661 6.026) 11.069 20.811 ( -8.351 -3.263 -4.730) 10.137 21.550 ( -0.620 6.125 -0.083) 6.157 21.726 ( 5.378 3.748 1.656) 6.761 22.176 ( 0.992 -7.296 -3.389) 8.106 22.708 ( -2.034 2.398 -0.790) 3.242 ======================= Grid point 12 (9/97) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( 0.000 28.945 0.000) 28.945 0.957 ( 0.000 36.232 0.000) 36.232 1.527 ( 0.000 56.796 0.000) 56.796 1.648 ( -0.000 -2.938 -0.000) 2.938 2.747 ( -0.000 -10.702 -0.000) 10.702 2.979 ( -0.000 -1.864 -0.000) 1.864 3.066 ( -0.000 -6.803 -0.000) 6.803 3.268 ( -0.000 -8.351 -0.000) 8.351 3.529 ( 0.000 7.780 0.000) 7.780 3.696 ( -0.000 -9.675 -0.000) 9.675 3.732 ( 0.000 6.090 0.000) 6.090 3.832 ( 0.000 5.249 0.000) 5.249 4.056 ( -0.000 -3.258 -0.000) 3.258 4.261 ( -0.000 -0.533 -0.000) 0.533 4.341 ( 0.000 4.181 0.000) 4.181 4.639 ( 0.000 4.670 0.000) 4.670 4.739 ( -0.000 -7.620 -0.000) 7.620 4.856 ( -0.000 -17.784 -0.000) 17.784 4.940 ( 0.000 10.235 0.000) 10.235 4.964 ( -0.000 -6.876 -0.000) 6.876 5.106 ( -0.000 -3.561 -0.000) 3.561 5.199 ( -0.000 -6.519 -0.000) 6.519 5.342 ( 0.000 7.063 0.000) 7.063 5.419 ( 0.000 3.934 0.000) 3.934 5.570 ( -0.000 -2.797 -0.000) 2.797 5.712 ( -0.000 -10.163 -0.000) 10.163 6.033 ( -0.000 -1.066 -0.000) 1.066 6.109 ( -0.000 -3.720 -0.000) 3.720 6.157 ( 0.000 5.084 0.000) 5.084 6.212 ( -0.000 -6.800 -0.000) 6.800 6.302 ( 0.000 0.050 0.000) 0.050 6.324 ( -0.000 -9.731 -0.000) 9.731 6.549 ( -0.000 -3.133 -0.000) 3.133 6.631 ( 0.000 2.351 0.000) 2.351 6.701 ( 0.000 13.861 0.000) 13.861 6.780 ( 0.000 2.381 0.000) 2.381 6.883 ( -0.000 -6.299 -0.000) 6.299 7.021 ( 0.000 6.013 0.000) 6.013 7.293 ( 0.000 0.884 0.000) 0.884 7.427 ( -0.000 -3.790 -0.000) 3.790 7.448 ( -0.000 -3.621 -0.000) 3.621 7.600 ( -0.000 -5.079 -0.000) 5.079 7.666 ( 0.000 2.703 0.000) 2.703 7.817 ( 0.000 8.074 0.000) 8.074 7.958 ( 0.000 2.862 0.000) 2.862 7.963 ( 0.000 0.094 0.000) 0.094 8.026 ( 0.000 6.591 0.000) 6.591 8.110 ( 0.000 1.670 0.000) 1.670 8.380 ( 0.000 1.910 0.000) 1.910 8.462 ( 0.000 2.751 0.000) 2.751 8.648 ( -0.000 -0.648 -0.000) 0.648 8.803 ( 0.000 1.774 0.000) 1.774 8.851 ( -0.000 -0.276 -0.000) 0.276 8.916 ( -0.000 -3.247 -0.000) 3.247 9.004 ( 0.000 0.146 0.000) 0.146 9.077 ( 0.000 1.439 0.000) 1.439 9.238 ( -0.000 -0.448 -0.000) 0.448 9.511 ( -0.000 -7.593 -0.000) 7.593 9.525 ( -0.000 -0.594 -0.000) 0.594 9.685 ( 0.000 4.063 0.000) 4.063 10.057 ( -0.000 -2.287 -0.000) 2.287 10.121 ( -0.000 -0.570 -0.000) 0.570 10.316 ( -0.000 -1.001 -0.000) 1.001 10.443 ( 0.000 5.441 0.000) 5.441 10.508 ( 0.000 5.593 0.000) 5.593 10.763 ( -0.000 -17.718 -0.000) 17.718 10.834 ( -0.000 -2.379 -0.000) 2.379 10.909 ( 0.000 0.858 0.000) 0.858 11.572 ( 0.000 11.494 0.000) 11.494 11.867 ( -0.000 -4.201 -0.000) 4.201 12.052 ( -0.000 -1.777 -0.000) 1.777 12.129 ( -0.000 -5.783 -0.000) 5.783 12.190 ( -0.000 -3.470 -0.000) 3.470 12.234 ( -0.000 -0.353 -0.000) 0.353 12.593 ( 0.000 6.674 0.000) 6.674 12.714 ( -0.000 -0.439 -0.000) 0.439 12.858 ( 0.000 2.673 0.000) 2.673 12.906 ( 0.000 2.868 0.000) 2.868 13.390 ( -0.000 -1.807 -0.000) 1.807 13.415 ( -0.000 -7.155 -0.000) 7.155 14.236 ( -0.000 -3.621 -0.000) 3.621 14.708 ( 0.000 4.043 0.000) 4.043 15.179 ( 0.000 13.433 0.000) 13.433 15.721 ( 0.000 2.527 0.000) 2.527 16.620 ( 0.000 2.040 0.000) 2.040 18.214 ( -0.000 -4.331 -0.000) 4.331 18.359 ( 0.000 2.760 0.000) 2.760 18.711 ( 0.000 2.163 0.000) 2.163 19.026 ( 0.000 4.394 0.000) 4.394 19.397 ( -0.000 -6.619 -0.000) 6.619 20.589 ( 0.000 3.203 0.000) 3.203 20.672 ( -0.000 -3.694 -0.000) 3.694 21.461 ( 0.000 6.082 0.000) 6.082 21.799 ( -0.000 -0.640 -0.000) 0.640 22.246 ( -0.000 -5.925 -0.000) 5.925 22.645 ( 0.000 3.449 0.000) 3.449 ======================= Grid point 15 (10/97) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 1.656 0.000 9.367) 9.512 1.999 ( 9.522 0.000 0.732) 9.550 2.020 ( 20.747 0.000 2.625) 20.913 2.516 ( -4.302 -0.000 -2.067) 4.773 2.606 ( -6.566 -0.000 -8.420) 10.678 2.656 ( -3.281 -0.000 -2.167) 3.932 3.088 ( 10.445 0.000 -10.165) 14.575 3.216 ( -1.738 -0.000 -5.780) 6.036 3.512 ( -7.448 -0.000 1.146) 7.536 3.746 ( -0.367 -0.000 3.430) 3.449 3.832 ( -4.889 -0.000 3.894) 6.250 3.846 ( 13.821 0.000 13.074) 19.025 4.049 ( 8.907 0.000 4.586) 10.018 4.091 ( -11.375 -0.000 4.058) 12.077 4.312 ( -2.300 -0.000 5.352) 5.826 4.354 ( 15.718 0.000 2.164) 15.866 4.441 ( 6.685 0.000 3.196) 7.410 4.642 ( -5.482 -0.000 -8.540) 10.148 4.900 ( -1.589 -0.000 1.385) 2.108 4.969 ( -4.243 -0.000 -2.913) 5.147 5.049 ( -8.355 -0.000 -2.409) 8.696 5.206 ( -3.434 -0.000 4.861) 5.952 5.222 ( -1.022 -0.000 -6.832) 6.908 5.298 ( 0.229 0.000 -0.300) 0.378 5.573 ( -0.205 -0.000 0.326) 0.385 5.687 ( -2.268 -0.000 -3.256) 3.968 5.859 ( -0.907 -0.000 -1.796) 2.012 5.878 ( -4.742 -0.000 -0.328) 4.753 6.069 ( -3.356 -0.000 1.077) 3.524 6.115 ( -1.092 -0.000 3.699) 3.857 6.330 ( 4.482 0.000 0.379) 4.498 6.473 ( -4.125 -0.000 5.762) 7.087 6.495 ( 4.777 0.000 6.148) 7.786 6.668 ( -3.255 -0.000 1.585) 3.621 6.779 ( 4.021 0.000 -1.067) 4.161 6.877 ( -0.502 -0.000 -2.373) 2.426 7.033 ( -1.728 -0.000 -1.268) 2.143 7.059 ( 4.630 0.000 -5.093) 6.883 7.315 ( -4.277 -0.000 -0.088) 4.278 7.320 ( -1.039 -0.000 0.434) 1.126 7.358 ( -3.737 -0.000 -1.416) 3.996 7.657 ( 4.511 0.000 -0.919) 4.603 7.679 ( 1.456 0.000 -2.599) 2.979 7.765 ( 8.537 0.000 -2.819) 8.990 7.990 ( -5.557 -0.000 0.893) 5.628 8.126 ( 2.269 0.000 9.012) 9.294 8.249 ( 0.816 0.000 3.868) 3.953 8.286 ( -1.062 -0.000 -1.463) 1.808 8.348 ( 3.811 0.000 -0.778) 3.889 8.395 ( -7.864 -0.000 7.767) 11.053 8.592 ( 1.949 0.000 10.088) 10.275 8.793 ( 1.115 0.000 -1.944) 2.241 8.829 ( -2.733 -0.000 2.028) 3.403 8.997 ( -2.183 -0.000 -0.545) 2.251 9.033 ( 3.811 0.000 0.034) 3.812 9.187 ( -2.971 -0.000 -0.495) 3.012 9.266 ( -1.641 -0.000 -11.178) 11.298 9.329 ( 4.593 0.000 -3.044) 5.510 9.512 ( -0.117 -0.000 -4.631) 4.632 9.933 ( -1.407 -0.000 4.386) 4.606 10.009 ( -3.945 -0.000 -2.454) 4.646 10.111 ( -0.491 -0.000 -2.672) 2.717 10.155 ( -2.469 -0.000 -4.980) 5.558 10.274 ( -0.478 -0.000 -0.947) 1.060 10.630 ( 2.853 0.000 -2.427) 3.746 10.636 ( 4.370 0.000 -1.062) 4.498 10.840 ( -5.134 -0.000 -2.226) 5.595 11.168 ( -3.488 -0.000 -5.206) 6.267 11.689 ( -4.383 -0.000 0.951) 4.485 11.795 ( 5.851 0.000 -0.779) 5.903 11.957 ( -5.915 -0.000 -0.492) 5.936 12.114 ( -2.961 -0.000 -2.819) 4.089 12.180 ( 0.146 0.000 -1.197) 1.206 12.189 ( -3.676 -0.000 -2.764) 4.599 12.649 ( 6.164 0.000 -1.057) 6.254 12.722 ( 1.174 0.000 -0.961) 1.518 12.857 ( 0.351 0.000 0.811) 0.883 12.926 ( 6.084 0.000 -1.556) 6.280 13.083 ( -1.177 -0.000 10.246) 10.314 13.423 ( 1.436 0.000 0.608) 1.560 14.362 ( -13.390 -0.000 3.422) 13.820 14.737 ( 4.346 0.000 -0.984) 4.456 15.356 ( 7.077 0.000 10.883) 12.982 16.078 ( -3.546 -0.000 -16.816) 17.186 16.763 ( -1.364 -0.000 6.910) 7.043 17.869 ( 10.962 0.000 -3.051) 11.378 18.442 ( 4.600 0.000 0.410) 4.619 18.919 ( 2.742 0.000 -4.336) 5.131 18.968 ( -7.985 -0.000 -0.701) 8.016 19.245 ( 0.222 0.000 -4.546) 4.551 20.590 ( 0.723 0.000 -6.476) 6.517 20.689 ( -3.492 -0.000 15.616) 16.002 21.601 ( 5.169 0.000 -1.546) 5.396 21.818 ( 7.963 0.000 3.012) 8.514 22.013 ( -8.283 -0.000 -1.228) 8.374 22.764 ( -0.339 -0.000 1.361) 1.403 ======================= Grid point 16 (11/97) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 1.631 -1.091 5.447) 5.790 1.852 ( -6.742 19.083 -7.047) 21.431 2.261 ( 5.468 -6.566 0.952) 8.598 2.320 ( -5.502 21.078 -4.488) 22.241 2.666 ( 11.329 -11.079 0.605) 15.857 2.728 ( 9.175 -1.932 6.337) 11.317 3.109 ( -7.135 0.151 -8.366) 10.997 3.171 ( 1.027 8.325 -2.932) 8.886 3.394 ( -7.752 -2.501 -2.520) 8.526 3.758 ( -5.126 -8.260 3.194) 10.233 3.789 ( 2.805 5.527 4.702) 7.780 3.906 ( -0.291 -0.296 2.868) 2.898 4.012 ( -3.420 -4.928 0.619) 6.030 4.239 ( 0.781 8.971 1.414) 9.115 4.321 ( 4.779 1.481 4.608) 6.802 4.435 ( 2.046 2.989 1.990) 4.133 4.571 ( 1.531 -2.125 -3.483) 4.358 4.624 ( 2.945 -6.595 0.816) 7.269 4.881 ( -5.267 -0.131 -0.180) 5.271 4.937 ( 1.880 -0.186 -1.428) 2.368 4.980 ( -2.436 -6.296 0.616) 6.779 5.191 ( 4.603 2.141 0.615) 5.113 5.278 ( 0.419 -2.655 -1.093) 2.901 5.356 ( 10.302 -3.771 2.612) 11.277 5.547 ( -1.199 2.530 0.079) 2.800 5.663 ( -1.946 -2.115 0.753) 2.971 5.818 ( 2.463 0.503 -0.104) 2.516 5.877 ( 3.159 -0.002 -4.936) 5.861 6.060 ( -2.092 -3.799 2.447) 4.979 6.151 ( -0.093 -3.517 3.903) 5.254 6.354 ( -1.444 2.910 -1.688) 3.661 6.449 ( 2.699 1.508 5.932) 6.690 6.522 ( -12.453 4.756 -2.992) 13.662 6.627 ( 0.867 -4.973 3.424) 6.100 6.779 ( -2.258 3.538 0.293) 4.208 6.836 ( -0.640 2.192 -1.421) 2.690 6.941 ( -6.452 -3.946 -1.701) 7.752 7.083 ( 0.336 -1.912 -5.264) 5.611 7.294 ( -0.125 0.674 7.168) 7.201 7.339 ( -1.704 -3.818 -0.433) 4.203 7.365 ( 6.960 0.556 -3.877) 7.987 7.633 ( 3.161 8.216 -2.785) 9.233 7.697 ( 0.856 -0.236 1.170) 1.469 7.860 ( -1.197 -4.047 -1.014) 4.340 8.035 ( 9.255 -0.241 0.732) 9.287 8.153 ( -6.458 3.369 -2.998) 7.876 8.211 ( 2.887 0.744 5.442) 6.205 8.227 ( -2.055 6.499 2.020) 7.109 8.317 ( -1.549 -1.897 0.777) 2.569 8.433 ( -3.188 -5.049 0.492) 5.992 8.694 ( 1.972 -1.051 10.295) 10.534 8.777 ( -2.096 1.513 -0.075) 2.586 8.803 ( -2.989 -2.086 2.884) 4.648 8.941 ( 1.404 2.651 -11.856) 12.229 9.076 ( 3.527 1.066 -2.437) 4.417 9.182 ( -0.951 -0.079 7.474) 7.535 9.187 ( -1.174 1.475 -2.922) 3.477 9.333 ( -0.541 0.785 -4.025) 4.137 9.479 ( -2.637 -3.344 -4.499) 6.195 9.907 ( -2.511 3.361 -0.195) 4.200 9.949 ( -1.980 -2.125 1.580) 3.306 10.096 ( -0.876 -0.705 -2.675) 2.902 10.173 ( 1.179 -6.744 -1.449) 6.998 10.277 ( -0.089 -1.233 -0.225) 1.257 10.657 ( 3.669 1.881 -0.719) 4.186 10.666 ( 2.009 2.732 -0.599) 3.444 10.784 ( -2.684 -1.416 -1.440) 3.359 11.005 ( -10.732 -0.129 -6.365) 12.478 11.718 ( 5.461 0.160 1.796) 5.751 11.853 ( 3.172 1.493 -0.410) 3.529 11.915 ( -0.826 -1.943 -0.318) 2.135 12.045 ( -4.955 -0.430 1.416) 5.171 12.114 ( -3.277 0.139 -4.203) 5.331 12.199 ( -0.577 -2.460 -0.214) 2.536 12.710 ( 2.942 1.386 0.129) 3.254 12.763 ( 4.582 -1.442 -2.367) 5.355 12.849 ( -0.610 1.789 1.259) 2.271 12.982 ( 2.214 0.293 -2.118) 3.078 13.125 ( 0.431 -0.700 7.471) 7.517 13.443 ( 1.105 0.644 0.386) 1.336 14.225 ( -9.121 -1.893 2.301) 9.595 14.790 ( 2.884 0.426 -0.939) 3.063 15.503 ( 6.407 3.259 10.611) 12.817 15.901 ( -2.331 5.352 -12.858) 14.121 16.763 ( -2.253 1.486 3.340) 4.294 17.998 ( 5.770 -2.282 -1.054) 6.294 18.481 ( 0.986 1.371 -0.744) 1.845 18.826 ( 0.068 5.941 1.381) 6.100 19.042 ( 0.828 -9.748 -1.669) 9.924 19.209 ( -1.268 2.113 -1.342) 2.806 20.539 ( 1.680 2.649 -0.935) 3.273 20.737 ( -3.222 -1.985 5.331) 6.538 21.663 ( 4.446 1.969 0.238) 4.868 21.824 ( -2.095 5.112 -0.701) 5.569 21.991 ( -0.104 -6.928 -0.861) 6.982 22.755 ( -0.796 1.003 0.495) 1.373 ======================= Grid point 17 (12/97) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 26.300 0.000) 26.300 1.510 ( -0.000 -0.264 -0.000) 0.264 1.906 ( 0.000 30.297 0.000) 30.297 2.433 ( -0.000 -12.199 -0.000) 12.199 2.796 ( 0.000 37.911 0.000) 37.911 2.929 ( -0.000 -6.805 -0.000) 6.805 2.941 ( -0.000 -0.013 -0.000) 0.013 2.978 ( -0.000 -9.909 -0.000) 9.909 3.391 ( -0.000 -10.095 -0.000) 10.095 3.732 ( 0.000 7.441 0.000) 7.441 3.834 ( -0.000 -0.908 -0.000) 0.908 3.969 ( -0.000 -3.489 -0.000) 3.489 4.088 ( 0.000 12.091 0.000) 12.091 4.182 ( -0.000 -23.839 -0.000) 23.839 4.259 ( 0.000 2.495 0.000) 2.495 4.465 ( 0.000 3.556 0.000) 3.556 4.630 ( -0.000 -5.204 -0.000) 5.204 4.715 ( -0.000 -1.969 -0.000) 1.969 4.823 ( -0.000 -1.962 -0.000) 1.962 4.986 ( -0.000 -3.369 -0.000) 3.369 5.050 ( -0.000 -7.266 -0.000) 7.266 5.181 ( 0.000 5.555 0.000) 5.555 5.343 ( -0.000 -8.063 -0.000) 8.063 5.492 ( 0.000 3.704 0.000) 3.704 5.498 ( 0.000 2.206 0.000) 2.206 5.670 ( -0.000 -0.178 -0.000) 0.178 5.892 ( -0.000 -6.150 -0.000) 6.150 6.059 ( 0.000 0.081 0.000) 0.081 6.098 ( -0.000 -1.983 -0.000) 1.983 6.120 ( -0.000 -4.992 -0.000) 4.992 6.231 ( -0.000 -5.260 -0.000) 5.260 6.337 ( 0.000 7.881 0.000) 7.881 6.507 ( -0.000 -0.392 -0.000) 0.392 6.696 ( 0.000 2.853 0.000) 2.853 6.700 ( -0.000 -5.619 -0.000) 5.619 6.818 ( 0.000 0.653 0.000) 0.653 6.921 ( 0.000 1.468 0.000) 1.468 7.084 ( -0.000 -0.960 -0.000) 0.960 7.312 ( -0.000 -1.360 -0.000) 1.360 7.370 ( -0.000 -3.613 -0.000) 3.613 7.456 ( -0.000 -3.643 -0.000) 3.643 7.512 ( 0.000 11.837 0.000) 11.837 7.705 ( 0.000 0.772 0.000) 0.772 7.910 ( -0.000 -3.441 -0.000) 3.441 8.032 ( 0.000 3.499 0.000) 3.499 8.052 ( 0.000 8.426 0.000) 8.426 8.159 ( 0.000 0.411 0.000) 0.411 8.232 ( 0.000 5.939 0.000) 5.939 8.359 ( -0.000 -1.613 -0.000) 1.613 8.426 ( -0.000 -4.158 -0.000) 4.158 8.715 ( 0.000 3.731 0.000) 3.731 8.793 ( -0.000 -1.649 -0.000) 1.649 8.799 ( -0.000 -4.738 -0.000) 4.738 8.884 ( 0.000 2.317 0.000) 2.317 9.083 ( 0.000 2.518 0.000) 2.518 9.113 ( 0.000 2.905 0.000) 2.905 9.224 ( 0.000 0.743 0.000) 0.743 9.336 ( -0.000 -5.028 -0.000) 5.028 9.483 ( -0.000 -3.238 -0.000) 3.238 9.824 ( 0.000 5.727 0.000) 5.727 9.978 ( -0.000 -3.464 -0.000) 3.464 10.093 ( -0.000 -1.172 -0.000) 1.172 10.288 ( -0.000 -1.022 -0.000) 1.022 10.319 ( -0.000 -13.243 -0.000) 13.243 10.623 ( 0.000 5.180 0.000) 5.180 10.654 ( 0.000 4.865 0.000) 4.865 10.776 ( -0.000 -1.718 -0.000) 1.718 10.900 ( -0.000 -1.698 -0.000) 1.698 11.789 ( 0.000 5.149 0.000) 5.149 11.804 ( 0.000 0.221 0.000) 0.221 11.971 ( -0.000 -5.598 -0.000) 5.598 12.042 ( 0.000 1.711 0.000) 1.711 12.070 ( -0.000 -5.491 -0.000) 5.491 12.215 ( -0.000 -1.366 -0.000) 1.366 12.720 ( 0.000 0.642 0.000) 0.642 12.772 ( 0.000 6.446 0.000) 6.446 12.855 ( -0.000 -3.394 -0.000) 3.394 12.975 ( 0.000 1.891 0.000) 1.891 13.187 ( -0.000 -4.779 -0.000) 4.779 13.439 ( 0.000 1.413 0.000) 1.413 14.170 ( -0.000 -1.288 -0.000) 1.288 14.792 ( 0.000 2.072 0.000) 2.072 15.504 ( 0.000 9.823 0.000) 9.823 15.799 ( 0.000 2.956 0.000) 2.956 16.705 ( 0.000 4.215 0.000) 4.215 18.089 ( -0.000 -4.641 -0.000) 4.641 18.446 ( 0.000 3.335 0.000) 3.335 18.779 ( 0.000 3.522 0.000) 3.522 19.149 ( 0.000 4.377 0.000) 4.377 19.174 ( -0.000 -9.958 -0.000) 9.958 20.579 ( -0.000 -3.043 -0.000) 3.043 20.688 ( 0.000 3.752 0.000) 3.752 21.636 ( 0.000 6.903 0.000) 6.903 21.783 ( -0.000 -0.473 -0.000) 0.473 22.076 ( -0.000 -6.849 -0.000) 6.849 22.725 ( 0.000 2.423 0.000) 2.423 ======================= Grid point 23 (13/97) ======================= q-point: (-0.50 0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -0.000 -0.000 -0.000) 0.000 1.933 ( -0.000 -0.000 -0.000) 0.000 2.203 ( -0.000 -0.000 -0.000) 0.000 2.458 ( -0.000 -0.000 -0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.925 ( -0.000 -0.000 -0.000) 0.000 2.936 ( -0.000 -0.000 -0.000) 0.000 3.167 ( -0.000 -0.000 -0.000) 0.000 3.402 ( -0.000 -0.000 -0.000) 0.000 3.594 ( -0.000 -0.000 -0.000) 0.000 3.869 ( -0.000 -0.000 -0.000) 0.000 3.898 ( -0.000 -0.000 -0.000) 0.000 3.964 ( -0.000 -0.000 -0.000) 0.000 4.327 ( -0.000 -0.000 -0.000) 0.000 4.423 ( -0.000 -0.000 -0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.550 ( -0.000 -0.000 -0.000) 0.000 4.608 ( -0.000 -0.000 -0.000) 0.000 4.845 ( -0.000 -0.000 -0.000) 0.000 4.903 ( -0.000 -0.000 -0.000) 0.000 4.928 ( -0.000 -0.000 -0.000) 0.000 5.231 ( -0.000 -0.000 -0.000) 0.000 5.237 ( -0.000 -0.000 -0.000) 0.000 5.541 ( -0.000 -0.000 -0.000) 0.000 5.552 ( -0.000 -0.000 -0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.816 ( -0.000 -0.000 -0.000) 0.000 5.995 ( -0.000 -0.000 -0.000) 0.000 6.071 ( -0.000 -0.000 -0.000) 0.000 6.133 ( -0.000 -0.000 -0.000) 0.000 6.136 ( 0.000 0.000 0.000) 0.000 6.488 ( -0.000 -0.000 -0.000) 0.000 6.509 ( -0.000 -0.000 -0.000) 0.000 6.620 ( -0.000 -0.000 -0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.835 ( -0.000 -0.000 -0.000) 0.000 6.843 ( -0.000 -0.000 -0.000) 0.000 7.058 ( -0.000 -0.000 -0.000) 0.000 7.306 ( -0.000 -0.000 -0.000) 0.000 7.320 ( -0.000 -0.000 -0.000) 0.000 7.422 ( -0.000 -0.000 -0.000) 0.000 7.701 ( -0.000 -0.000 -0.000) 0.000 7.723 ( -0.000 -0.000 -0.000) 0.000 7.834 ( -0.000 -0.000 -0.000) 0.000 8.069 ( -0.000 -0.000 -0.000) 0.000 8.159 ( -0.000 -0.000 -0.000) 0.000 8.262 ( -0.000 -0.000 -0.000) 0.000 8.283 ( -0.000 -0.000 -0.000) 0.000 8.285 ( 0.000 0.000 0.000) 0.000 8.343 ( -0.000 -0.000 -0.000) 0.000 8.728 ( -0.000 -0.000 -0.000) 0.000 8.745 ( -0.000 -0.000 -0.000) 0.000 8.786 ( -0.000 -0.000 -0.000) 0.000 8.938 ( -0.000 -0.000 -0.000) 0.000 9.098 ( -0.000 -0.000 -0.000) 0.000 9.177 ( -0.000 -0.000 -0.000) 0.000 9.258 ( -0.000 -0.000 -0.000) 0.000 9.271 ( -0.000 -0.000 -0.000) 0.000 9.412 ( -0.000 -0.000 -0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 9.917 ( -0.000 -0.000 -0.000) 0.000 10.085 ( -0.000 -0.000 -0.000) 0.000 10.122 ( -0.000 -0.000 -0.000) 0.000 10.273 ( -0.000 -0.000 -0.000) 0.000 10.699 ( -0.000 -0.000 -0.000) 0.000 10.721 ( -0.000 -0.000 -0.000) 0.000 10.755 ( -0.000 -0.000 -0.000) 0.000 10.864 ( -0.000 -0.000 -0.000) 0.000 11.848 ( -0.000 -0.000 -0.000) 0.000 11.850 ( -0.000 -0.000 -0.000) 0.000 11.886 ( 0.000 0.000 0.000) 0.000 11.964 ( -0.000 -0.000 -0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.176 ( -0.000 -0.000 -0.000) 0.000 12.746 ( -0.000 -0.000 -0.000) 0.000 12.765 ( -0.000 -0.000 -0.000) 0.000 12.869 ( -0.000 -0.000 -0.000) 0.000 12.994 ( -0.000 -0.000 -0.000) 0.000 13.143 ( -0.000 -0.000 -0.000) 0.000 13.458 ( -0.000 -0.000 -0.000) 0.000 14.158 ( -0.000 -0.000 -0.000) 0.000 14.816 ( -0.000 -0.000 -0.000) 0.000 15.632 ( -0.000 -0.000 -0.000) 0.000 15.842 ( -0.000 -0.000 -0.000) 0.000 16.776 ( -0.000 -0.000 -0.000) 0.000 18.020 ( -0.000 -0.000 -0.000) 0.000 18.493 ( -0.000 -0.000 -0.000) 0.000 18.907 ( 0.000 0.000 0.000) 0.000 18.950 ( -0.000 -0.000 -0.000) 0.000 19.211 ( -0.000 -0.000 -0.000) 0.000 20.536 ( -0.000 -0.000 -0.000) 0.000 20.743 ( -0.000 -0.000 -0.000) 0.000 21.759 ( -0.000 -0.000 -0.000) 0.000 21.777 ( -0.000 -0.000 -0.000) 0.000 21.952 ( -0.000 -0.000 -0.000) 0.000 22.758 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 39 (14/97) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( -2.915 -0.000 29.276) 29.420 0.635 ( 5.500 0.000 30.358) 30.853 1.250 ( -4.545 -0.000 59.759) 59.932 1.840 ( -30.778 -0.000 -3.950) 31.030 2.873 ( -4.789 -0.000 -2.584) 5.441 3.017 ( -5.466 -0.000 2.416) 5.976 3.316 ( 1.045 0.000 7.453) 7.525 3.333 ( -5.342 -0.000 -1.847) 5.652 3.543 ( 3.527 0.000 6.420) 7.324 3.638 ( 0.624 0.000 0.779) 0.997 3.710 ( 20.329 0.000 -2.316) 20.461 3.862 ( 2.394 0.000 -1.273) 2.711 3.934 ( 7.546 0.000 0.518) 7.564 4.153 ( -4.789 -0.000 2.330) 5.326 4.328 ( -0.891 -0.000 -3.101) 3.227 4.394 ( -3.919 -0.000 -0.953) 4.033 4.508 ( 6.488 0.000 -12.316) 13.921 4.965 ( -1.677 -0.000 -6.824) 7.027 5.033 ( 4.063 0.000 3.527) 5.380 5.052 ( -7.317 -0.000 -0.013) 7.317 5.056 ( 0.862 0.000 -5.960) 6.022 5.249 ( -1.957 -0.000 4.680) 5.073 5.500 ( -1.705 -0.000 0.286) 1.729 5.613 ( 3.484 0.000 6.748) 7.594 5.633 ( 1.365 0.000 -6.050) 6.202 5.744 ( -1.920 -0.000 3.786) 4.245 6.019 ( 1.551 0.000 -9.056) 9.187 6.088 ( 1.283 0.000 -2.611) 2.909 6.192 ( 8.963 0.000 0.526) 8.978 6.325 ( -1.113 -0.000 -4.524) 4.659 6.360 ( 2.562 0.000 0.543) 2.619 6.368 ( -5.892 -0.000 6.651) 8.886 6.411 ( 8.357 0.000 2.358) 8.683 6.584 ( -4.129 -0.000 -8.991) 9.893 6.660 ( 1.614 0.000 0.646) 1.738 6.760 ( 10.323 0.000 -1.014) 10.372 6.789 ( 2.957 0.000 -4.977) 5.789 6.914 ( -4.499 -0.000 -0.811) 4.572 7.236 ( 4.309 0.000 -1.595) 4.594 7.328 ( 5.882 0.000 -9.257) 10.968 7.380 ( 2.955 0.000 2.147) 3.652 7.593 ( -7.359 -0.000 -4.116) 8.432 7.781 ( 10.315 0.000 3.929) 11.038 7.818 ( -4.944 -0.000 0.268) 4.951 7.903 ( 5.731 0.000 1.960) 6.056 7.964 ( 5.251 0.000 4.217) 6.734 8.200 ( 1.762 0.000 2.778) 3.289 8.272 ( -12.491 -0.000 0.758) 12.514 8.360 ( -5.543 -0.000 2.561) 6.106 8.416 ( -7.787 -0.000 2.513) 8.182 8.442 ( 6.899 0.000 -6.842) 9.717 8.624 ( 6.273 0.000 -2.303) 6.683 8.704 ( 6.181 0.000 -2.304) 6.596 8.791 ( 2.765 0.000 -4.710) 5.462 8.859 ( -8.608 -0.000 2.197) 8.884 9.175 ( -0.702 -0.000 9.716) 9.741 9.365 ( -6.828 -0.000 -4.281) 8.059 9.528 ( -4.737 -0.000 8.161) 9.436 9.758 ( 2.503 0.000 8.996) 9.338 9.823 ( -7.084 -0.000 -8.436) 11.016 10.097 ( -3.035 -0.000 -6.008) 6.731 10.147 ( -0.694 -0.000 -2.992) 3.072 10.281 ( -1.177 -0.000 -2.610) 2.863 10.358 ( -3.959 -0.000 -3.064) 5.006 10.591 ( -21.045 -0.000 2.288) 21.169 10.843 ( -6.625 -0.000 -2.257) 6.999 11.005 ( 46.417 0.000 -0.484) 46.419 11.188 ( -1.033 -0.000 0.501) 1.149 11.258 ( -3.549 -0.000 1.572) 3.881 11.336 ( 3.509 0.000 2.953) 4.586 12.122 ( 4.525 0.000 -3.485) 5.711 12.174 ( 1.621 0.000 -7.740) 7.908 12.269 ( -2.713 -0.000 1.547) 3.123 12.409 ( -4.801 -0.000 -1.032) 4.911 12.544 ( 4.240 0.000 -11.622) 12.372 12.745 ( -1.015 -0.000 -0.296) 1.057 12.750 ( 2.713 0.000 -3.173) 4.174 12.992 ( 2.830 0.000 3.983) 4.886 13.113 ( -9.464 -0.000 -2.755) 9.857 13.465 ( -10.050 -0.000 6.460) 11.947 14.352 ( 26.222 0.000 0.312) 26.224 14.731 ( -2.223 -0.000 8.366) 8.656 14.867 ( 4.093 0.000 -9.277) 10.140 15.716 ( -10.220 -0.000 1.909) 10.396 16.625 ( -0.778 -0.000 2.600) 2.714 16.750 ( 2.178 0.000 9.242) 9.496 18.357 ( -3.609 -0.000 2.969) 4.674 18.716 ( -1.676 -0.000 3.422) 3.811 19.053 ( -2.693 -0.000 8.122) 8.557 19.591 ( 2.752 0.000 1.235) 3.016 20.375 ( -6.150 -0.000 -15.117) 16.320 21.254 ( 5.887 0.000 4.428) 7.367 21.373 ( -1.900 -0.000 0.127) 1.905 21.668 ( -21.214 -0.000 0.186) 21.215 22.399 ( 30.063 0.000 -0.412) 30.066 22.565 ( 0.175 0.000 -1.993) 2.000 ======================= Grid point 40 (15/97) ======================= q-point: ( 0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( 13.273 -27.200 19.774) 36.153 1.283 ( 29.376 -11.764 18.432) 36.621 1.586 ( -1.159 1.268 9.367) 9.523 1.658 ( 11.590 -11.986 38.006) 41.503 2.750 ( -6.496 6.374 -2.922) 9.559 2.974 ( -2.904 -4.363 0.252) 5.247 3.140 ( -13.193 2.811 -1.350) 13.556 3.310 ( -2.596 6.374 3.644) 7.787 3.538 ( 2.289 6.041 7.737) 10.080 3.656 ( 2.339 2.106 0.234) 3.156 3.853 ( 5.019 -2.409 2.028) 5.925 3.917 ( -7.033 3.355 0.325) 7.799 4.069 ( -0.357 1.376 -2.905) 3.234 4.086 ( 2.949 -12.175 -3.626) 13.042 4.238 ( -6.673 2.014 -1.300) 7.091 4.368 ( -0.929 -6.668 -1.097) 6.822 4.529 ( 2.059 -2.659 -12.384) 12.832 4.924 ( -5.463 0.134 3.914) 6.722 4.933 ( -1.302 5.483 -8.865) 10.505 5.016 ( -0.446 1.789 1.601) 2.442 5.105 ( 3.253 1.088 -1.953) 3.947 5.233 ( -0.194 3.996 0.846) 4.089 5.429 ( -3.335 5.301 -7.331) 9.642 5.463 ( -3.180 6.813 4.997) 9.028 5.596 ( -1.257 3.805 6.776) 7.872 5.861 ( -1.445 -10.244 0.198) 10.348 5.926 ( -7.419 5.838 -3.676) 10.131 6.014 ( 3.150 5.055 -1.054) 6.049 6.174 ( -4.317 -1.949 -2.848) 5.527 6.259 ( -3.792 4.922 -0.616) 6.244 6.356 ( -3.577 -0.040 2.635) 4.443 6.390 ( 7.422 6.214 -2.034) 9.891 6.507 ( 2.229 -0.787 -4.524) 5.104 6.565 ( 2.015 -3.015 0.757) 3.704 6.723 ( 2.866 5.981 -3.949) 7.719 6.728 ( 4.771 -2.155 -2.165) 5.665 6.824 ( 0.678 -3.423 -1.510) 3.802 6.944 ( -2.217 -6.968 -1.350) 7.436 7.280 ( 1.545 3.250 -5.359) 6.455 7.349 ( 4.143 0.272 -0.772) 4.223 7.420 ( -2.200 0.473 -3.453) 4.122 7.515 ( 0.587 -5.974 -2.918) 6.674 7.714 ( -4.296 -0.401 1.619) 4.608 7.823 ( -0.290 8.388 5.725) 10.160 8.000 ( 0.917 2.901 3.432) 4.587 8.089 ( 6.012 0.328 0.180) 6.024 8.109 ( 3.898 -2.041 6.357) 7.731 8.278 ( 0.887 -4.911 -0.692) 5.038 8.363 ( -4.799 -2.385 7.346) 9.093 8.435 ( 6.654 -0.626 -0.576) 6.708 8.555 ( 3.581 -6.139 -8.850) 11.350 8.677 ( -0.682 -0.089 1.389) 1.550 8.742 ( 1.960 3.318 2.536) 4.613 8.849 ( 3.058 -0.244 -1.536) 3.431 8.936 ( 8.913 -4.654 -7.015) 12.260 9.205 ( -4.132 1.843 -6.438) 7.868 9.265 ( 3.032 -1.735 8.944) 9.602 9.516 ( -6.509 -0.191 14.977) 16.331 9.591 ( -12.506 0.396 -4.929) 13.448 9.853 ( 6.352 1.754 3.064) 7.268 10.006 ( -1.527 1.165 -6.427) 6.708 10.133 ( 1.306 -1.141 -6.430) 6.660 10.282 ( 1.079 -3.260 -1.141) 3.618 10.311 ( -3.081 -3.878 1.370) 5.139 10.542 ( -0.095 -0.983 3.640) 3.771 10.672 ( -9.031 3.531 -2.828) 10.101 11.060 ( -2.784 6.533 0.744) 7.141 11.200 ( 5.779 4.939 -0.776) 7.641 11.408 ( 6.803 -2.925 -1.584) 7.573 11.708 ( 14.633 -11.660 -10.339) 21.377 12.041 ( -0.446 8.169 -4.041) 9.124 12.195 ( 0.654 0.647 -2.522) 2.684 12.239 ( -4.288 -3.576 0.579) 5.613 12.361 ( -3.668 -2.922 -6.665) 8.150 12.525 ( 4.230 4.519 -1.449) 6.358 12.688 ( -2.276 2.334 -1.263) 3.496 12.790 ( -0.517 -4.103 -0.460) 4.161 12.862 ( -2.302 6.397 6.065) 9.111 13.127 ( -3.931 -5.959 -0.039) 7.139 13.404 ( -2.052 -0.568 3.018) 3.693 14.684 ( 15.741 11.299 -1.567) 19.440 14.825 ( 9.223 0.550 -1.498) 9.360 14.883 ( 1.539 -3.349 -9.118) 9.835 15.784 ( 7.791 4.688 -5.027) 10.390 16.722 ( 10.208 1.049 2.352) 10.528 17.167 ( 7.659 -33.852 -9.914) 36.096 18.345 ( -1.265 -2.474 1.808) 3.316 18.759 ( 3.976 1.732 2.705) 5.111 19.094 ( 1.756 -1.345 6.513) 6.878 19.539 ( -10.624 -1.639 0.952) 10.792 20.281 ( 4.130 2.247 -12.979) 13.804 21.202 ( -5.030 10.439 10.924) 15.925 21.411 ( 4.258 -3.289 0.768) 5.435 21.535 ( -6.987 -8.248 3.468) 11.353 22.417 ( -6.271 6.842 -0.711) 9.309 22.632 ( 7.219 -0.104 -4.343) 8.426 ======================= Grid point 41 (16/97) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -1.585 4.915 -1.506) 5.379 1.749 ( 14.788 -22.526 14.528) 30.613 1.900 ( 5.450 -5.751 34.483) 35.382 2.339 ( 20.153 -11.537 2.856) 23.397 2.551 ( -4.821 1.097 4.259) 6.526 2.860 ( -12.881 5.887 1.760) 14.271 3.041 ( 1.102 -6.767 -0.170) 6.859 3.178 ( -2.156 6.886 1.391) 7.348 3.551 ( 0.669 3.242 6.866) 7.622 3.633 ( -0.700 1.910 0.827) 2.195 3.801 ( -1.463 -0.570 -0.526) 1.656 3.941 ( -1.602 -5.507 1.103) 5.841 4.031 ( 2.865 5.566 -0.412) 6.274 4.087 ( -5.714 4.660 1.143) 7.462 4.302 ( 3.227 -11.729 -3.905) 12.776 4.448 ( 1.010 -3.880 -0.795) 4.087 4.510 ( 0.373 -0.831 -11.339) 11.376 4.725 ( -16.042 3.825 6.577) 17.755 4.807 ( 0.059 11.896 -9.320) 15.112 4.967 ( 4.237 5.150 0.400) 6.681 5.103 ( -1.053 1.614 -2.779) 3.381 5.179 ( 0.672 2.219 2.102) 3.130 5.312 ( -3.998 1.211 -4.133) 5.876 5.423 ( 1.238 -1.309 -0.908) 2.017 5.595 ( 0.153 -0.618 2.405) 2.488 5.735 ( -2.380 6.586 -0.140) 7.004 5.900 ( -2.880 4.693 -0.975) 5.592 5.930 ( -6.849 -4.331 -1.999) 8.347 6.154 ( 1.249 0.815 0.426) 1.551 6.189 ( 1.719 3.836 -0.652) 4.254 6.302 ( -2.211 4.777 4.399) 6.860 6.395 ( 2.574 3.177 1.758) 4.450 6.535 ( 4.248 -0.196 -2.166) 4.772 6.628 ( 1.365 -1.057 0.848) 1.924 6.740 ( 6.914 -1.779 -6.756) 9.829 6.796 ( 1.646 -0.531 -2.909) 3.385 6.849 ( -2.536 -3.257 0.623) 4.174 7.001 ( -2.435 -8.400 -3.173) 9.304 7.208 ( -0.472 2.307 -4.718) 5.273 7.334 ( 0.002 1.463 -1.805) 2.324 7.458 ( 4.530 0.084 0.512) 4.560 7.626 ( 1.818 -3.856 -2.531) 4.957 7.658 ( -1.393 -1.422 -2.341) 3.073 7.792 ( -0.069 -0.888 3.945) 4.044 8.010 ( 4.367 5.354 2.778) 7.447 8.085 ( -1.808 2.588 -1.404) 3.455 8.210 ( 0.949 -0.765 3.670) 3.867 8.320 ( 0.127 -0.368 -1.343) 1.399 8.369 ( -0.323 0.189 -0.692) 0.786 8.511 ( 4.698 0.780 -4.195) 6.347 8.575 ( 4.119 5.963 -1.443) 7.390 8.689 ( 0.405 -2.442 -0.007) 2.475 8.765 ( -2.935 -2.212 5.152) 6.329 8.903 ( 4.167 -0.132 -0.713) 4.229 8.961 ( -0.107 1.496 -5.661) 5.857 9.195 ( 2.945 -2.815 -2.356) 4.706 9.392 ( -1.582 -4.559 8.018) 9.358 9.420 ( -4.355 -1.473 -5.865) 7.452 9.500 ( -5.677 0.267 15.589) 16.592 9.933 ( 1.505 0.369 -3.821) 4.123 9.940 ( 3.396 1.752 -0.594) 3.867 10.149 ( 1.883 -2.329 -5.728) 6.464 10.330 ( -3.882 -3.533 4.324) 6.801 10.346 ( -0.820 -4.910 -1.454) 5.186 10.517 ( -2.164 1.786 -1.651) 3.256 10.576 ( -0.573 -1.081 1.858) 2.225 10.957 ( -3.092 2.551 0.143) 4.011 11.236 ( 1.415 -2.007 -1.682) 2.976 11.491 ( 4.106 0.223 -1.856) 4.511 11.866 ( 0.494 -0.085 -4.443) 4.471 11.935 ( 0.720 2.211 -4.246) 4.841 12.158 ( -0.565 1.329 2.134) 2.577 12.236 ( -2.113 -3.550 -2.418) 4.786 12.310 ( -1.536 -3.687 -9.698) 10.489 12.548 ( 3.838 3.371 2.099) 5.523 12.614 ( -3.776 0.908 0.349) 3.899 12.818 ( 0.667 2.947 0.567) 3.074 12.847 ( 1.636 -3.036 0.992) 3.589 13.116 ( -1.866 0.683 1.251) 2.348 13.406 ( -0.244 -0.128 1.291) 1.320 14.742 ( 6.376 4.957 3.636) 8.857 14.857 ( -6.699 -9.276 -8.497) 14.252 14.920 ( 13.617 11.359 -4.605) 18.321 15.758 ( -1.994 0.717 0.754) 2.250 16.858 ( 6.589 0.893 2.387) 7.065 17.532 ( 6.485 -16.074 -11.819) 20.979 18.393 ( 0.399 -3.303 2.446) 4.130 18.804 ( 2.806 1.808 4.545) 5.639 19.190 ( 3.147 -2.480 5.933) 7.159 19.396 ( -12.236 -4.525 -0.598) 13.060 20.268 ( 5.956 4.726 -4.688) 8.932 21.078 ( -5.121 5.127 9.153) 11.674 21.523 ( 1.806 -4.383 -2.594) 5.403 21.586 ( 2.890 -2.288 0.854) 3.783 22.224 ( -6.894 5.417 -1.572) 8.907 22.688 ( 3.942 0.393 -5.226) 6.557 ======================= Grid point 42 (17/97) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( -2.593 8.471 3.820) 9.647 1.937 ( -12.824 3.574 14.673) 19.812 2.041 ( -14.865 8.750 3.541) 17.609 2.525 ( 4.088 -14.026 2.616) 14.842 2.546 ( 4.460 -8.236 16.441) 18.922 2.927 ( 1.119 -9.871 -1.995) 10.132 3.052 ( -9.259 9.602 5.550) 14.448 3.152 ( 1.129 1.216 2.935) 3.371 3.502 ( -0.070 6.153 3.290) 6.977 3.700 ( 5.511 3.341 5.134) 8.240 3.845 ( 4.324 -2.858 -0.763) 5.239 3.928 ( -3.007 5.986 2.026) 6.998 3.969 ( -4.197 -6.488 -0.553) 7.747 4.008 ( 2.044 5.869 0.434) 6.230 4.333 ( 2.278 4.774 -4.112) 6.700 4.418 ( 1.522 6.951 -5.515) 9.003 4.465 ( -1.992 0.829 -2.895) 3.611 4.648 ( 6.679 -2.930 1.576) 7.462 4.702 ( -1.556 -5.936 -7.161) 9.430 5.035 ( 5.401 -0.794 3.225) 6.340 5.052 ( -0.496 -3.084 -2.674) 4.112 5.199 ( 0.783 -0.318 2.944) 3.063 5.255 ( -0.856 0.048 -2.777) 2.906 5.458 ( 1.287 -1.313 -2.077) 2.774 5.631 ( -0.958 -6.214 -3.775) 7.334 5.656 ( -0.246 4.019 0.644) 4.078 5.838 ( -0.013 -3.056 -0.037) 3.056 5.862 ( -6.679 -0.188 0.414) 6.694 6.150 ( 3.422 6.471 1.424) 7.457 6.188 ( 3.564 1.508 -1.460) 4.136 6.268 ( 1.133 -0.087 3.217) 3.411 6.405 ( -0.831 1.262 3.940) 4.220 6.575 ( 5.111 3.619 -2.240) 6.651 6.650 ( 1.423 0.205 -1.342) 1.967 6.732 ( -3.547 3.713 -0.931) 5.219 6.860 ( 6.092 -1.854 -1.175) 6.475 6.886 ( -1.940 -6.192 -2.103) 6.821 7.030 ( -0.577 -4.171 -6.599) 7.828 7.160 ( -0.389 2.077 -3.327) 3.941 7.333 ( -0.082 -2.290 0.554) 2.357 7.516 ( 3.760 -0.073 -1.339) 3.992 7.537 ( -6.404 0.690 -1.536) 6.621 7.736 ( -0.090 -1.243 2.502) 2.795 7.870 ( 4.315 -2.984 -3.046) 6.066 7.985 ( -2.672 2.498 -0.950) 3.779 8.003 ( 2.131 6.054 -2.538) 6.902 8.189 ( -2.820 4.574 4.824) 7.221 8.256 ( -3.694 1.109 -0.714) 3.922 8.325 ( 0.730 3.577 -9.807) 10.465 8.539 ( 6.125 5.004 -0.336) 7.916 8.571 ( 5.556 5.535 -7.076) 10.563 8.692 ( -0.512 -0.946 -1.833) 2.125 8.744 ( -3.316 -0.157 0.306) 3.334 8.919 ( -1.743 -1.084 1.778) 2.716 8.997 ( 2.804 -1.965 4.203) 5.421 9.207 ( -4.391 -3.779 -3.449) 6.743 9.362 ( -0.935 -2.641 -3.047) 4.139 9.489 ( -2.921 -2.516 11.946) 12.553 9.543 ( 0.178 -2.895 10.912) 11.290 9.885 ( -0.513 1.206 -2.405) 2.739 10.014 ( 3.002 -0.760 -2.211) 3.805 10.206 ( 2.528 -3.369 -0.117) 4.214 10.293 ( -6.682 -2.952 1.288) 7.418 10.371 ( -0.104 -0.863 2.264) 2.425 10.527 ( 1.179 -2.876 -0.496) 3.148 10.585 ( -0.862 -0.709 1.246) 1.673 10.903 ( -1.673 0.039 -0.850) 1.877 11.254 ( -5.579 -6.558 -2.456) 8.954 11.519 ( 4.966 4.201 -2.238) 6.879 11.795 ( -3.318 0.866 -1.575) 3.773 11.920 ( 0.564 -1.397 -3.982) 4.257 12.154 ( 0.449 -0.341 -6.775) 6.799 12.252 ( -1.564 -4.561 0.091) 4.822 12.341 ( 1.513 -5.038 -1.656) 5.514 12.517 ( 0.925 4.263 -2.375) 4.967 12.608 ( 0.712 0.355 4.765) 4.831 12.788 ( 0.310 2.470 -1.997) 3.191 12.921 ( 2.280 -1.603 1.588) 3.208 13.085 ( 0.978 3.288 1.622) 3.795 13.407 ( -0.047 0.417 0.585) 0.720 14.782 ( 2.806 3.611 4.694) 6.554 14.808 ( -8.066 -8.182 -9.636) 14.995 14.931 ( 12.667 13.256 -5.741) 19.213 15.763 ( -4.208 -7.232 4.200) 9.362 16.903 ( -0.002 1.662 1.972) 2.579 17.686 ( 5.800 -3.859 -10.592) 12.678 18.438 ( -0.522 -0.799 3.278) 3.414 18.863 ( 1.439 -2.488 6.077) 6.722 19.269 ( -6.264 -1.411 2.247) 6.803 19.337 ( 0.249 -6.306 4.233) 7.599 20.298 ( 6.109 3.096 3.467) 7.676 20.995 ( -4.198 3.596 4.608) 7.196 21.521 ( -1.989 0.054 -5.167) 5.537 21.648 ( 3.438 2.740 -0.778) 4.465 22.095 ( -1.926 0.849 -3.650) 4.213 22.684 ( 1.358 1.562 -6.606) 6.922 ======================= Grid point 43 (18/97) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -13.015 11.364 17.300) 24.450 1.490 ( -29.223 16.668 6.646) 34.293 1.841 ( -5.609 -2.118 8.905) 10.735 2.382 ( -33.613 27.150 9.781) 44.301 2.808 ( -2.190 -14.080 8.860) 16.779 2.937 ( 10.443 -7.465 7.914) 15.081 3.059 ( 4.008 -4.484 4.176) 7.322 3.157 ( -2.986 -4.025 -0.070) 5.013 3.484 ( 4.873 6.252 4.679) 9.204 3.694 ( 0.148 4.187 1.381) 4.411 3.754 ( -4.825 2.485 -4.315) 6.933 3.896 ( -4.339 6.118 -2.942) 8.057 4.007 ( 0.515 -1.625 -1.161) 2.062 4.059 ( 11.319 -1.648 0.506) 11.450 4.250 ( 5.510 10.252 -5.336) 12.804 4.407 ( 0.180 2.716 -2.112) 3.445 4.490 ( 15.558 7.579 -3.550) 17.667 4.778 ( 7.452 -6.042 -3.704) 10.283 4.815 ( -0.714 -11.746 -0.894) 11.802 5.085 ( -3.065 -2.791 -2.176) 4.682 5.142 ( 1.873 -2.868 6.039) 6.943 5.226 ( 0.583 0.459 0.429) 0.857 5.298 ( 2.439 -6.623 -1.108) 7.144 5.465 ( 0.458 0.976 -1.333) 1.714 5.658 ( 2.490 2.743 2.379) 4.403 5.675 ( -4.786 -8.391 -0.137) 9.661 5.796 ( 2.280 -4.555 -3.561) 6.215 5.961 ( 5.297 -6.391 0.750) 8.335 6.126 ( 2.307 4.774 1.454) 5.498 6.203 ( 2.142 1.122 -8.700) 9.030 6.359 ( 4.218 -3.742 2.719) 6.260 6.375 ( -0.626 2.818 2.899) 4.091 6.578 ( -7.291 -0.053 2.298) 7.644 6.596 ( 0.461 3.070 -4.274) 5.283 6.669 ( 3.841 4.651 3.042) 6.756 6.866 ( -2.888 -0.482 -6.923) 7.517 6.953 ( 3.540 -1.290 -1.126) 3.932 7.030 ( -1.810 2.221 -1.082) 3.062 7.115 ( 2.746 -0.199 -5.851) 6.467 7.362 ( -4.214 -3.838 -1.809) 5.980 7.430 ( -7.205 -0.646 1.842) 7.465 7.556 ( 4.112 0.626 -4.258) 5.952 7.694 ( 0.874 4.668 -0.792) 4.814 7.906 ( -0.015 3.277 -2.183) 3.938 7.919 ( -0.847 0.415 5.605) 5.684 7.979 ( 2.785 1.789 -2.859) 4.374 8.136 ( -2.771 1.888 -0.363) 3.372 8.186 ( 0.586 5.176 -1.173) 5.340 8.236 ( -1.056 0.138 -1.550) 1.880 8.520 ( 5.935 5.810 -13.150) 15.553 8.535 ( 3.206 5.896 -2.529) 7.172 8.682 ( -4.121 -1.456 -1.209) 4.535 8.717 ( 1.564 -0.697 -2.753) 3.242 8.911 ( -2.590 0.252 4.454) 5.159 9.085 ( 0.056 -2.819 7.242) 7.771 9.192 ( -2.817 -4.412 -1.760) 5.523 9.353 ( -0.996 0.258 -0.411) 1.108 9.543 ( -3.050 -3.013 12.061) 12.800 9.643 ( -0.226 -4.464 7.511) 8.741 9.862 ( -2.560 -0.645 2.245) 3.465 10.002 ( -0.952 1.421 -5.047) 5.329 10.203 ( -3.307 -2.411 -3.965) 5.698 10.277 ( -2.044 -0.620 1.935) 2.882 10.403 ( 1.858 2.346 0.401) 3.019 10.557 ( -1.996 0.693 1.970) 2.888 10.660 ( 5.590 -7.428 5.921) 11.021 10.900 ( -1.191 -4.151 -1.925) 4.728 11.211 ( -12.544 -10.909 -3.236) 16.936 11.499 ( 4.771 9.157 -2.998) 10.752 11.744 ( -2.610 -0.711 -3.103) 4.117 11.956 ( 1.559 -4.901 -5.153) 7.280 12.130 ( 1.092 -1.779 -7.827) 8.101 12.301 ( -0.390 -4.704 -1.328) 4.903 12.384 ( -2.361 -1.109 4.903) 5.553 12.533 ( 7.278 1.121 -1.449) 7.505 12.633 ( 0.772 1.415 2.746) 3.184 12.748 ( 0.485 1.249 -3.656) 3.894 12.931 ( -2.613 0.752 0.943) 2.878 13.111 ( 7.120 3.954 2.163) 8.427 13.403 ( -0.111 0.452 0.670) 0.815 14.727 ( -8.589 -7.469 -10.859) 15.731 14.782 ( -0.549 3.608 6.492) 7.447 14.909 ( 10.534 11.428 -7.972) 17.468 15.856 ( -6.210 -15.410 3.638) 17.008 16.841 ( -5.815 2.329 1.736) 6.500 17.694 ( 6.076 7.841 -14.533) 17.596 18.433 ( -2.475 0.437 3.430) 4.252 18.964 ( -1.601 -6.965 5.340) 8.922 19.157 ( -9.291 -1.013 -3.857) 10.110 19.453 ( 3.915 -0.728 2.429) 4.664 20.454 ( 8.060 -3.792 18.727) 20.737 20.881 ( -7.184 1.959 -3.237) 8.119 21.445 ( 1.971 6.448 -2.496) 7.189 21.615 ( 1.823 6.723 2.030) 7.255 22.091 ( 2.268 -2.188 -8.735) 9.286 22.626 ( -0.491 2.389 -6.781) 7.206 ======================= Grid point 44 (19/97) ======================= q-point: (-0.17 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( -25.016 11.503 15.591) 31.642 1.011 ( -22.422 11.258 32.350) 40.939 1.408 ( -30.902 34.045 26.684) 53.161 2.032 ( -10.156 -19.151 6.760) 22.707 2.920 ( -4.405 -6.987 2.725) 8.697 3.068 ( -4.952 -1.389 3.462) 6.199 3.190 ( 3.435 -6.943 6.236) 9.944 3.295 ( 8.202 -2.659 4.307) 9.638 3.465 ( -4.087 4.699 -0.329) 6.236 3.562 ( 8.378 11.674 -1.269) 14.425 3.720 ( -4.558 5.868 -2.551) 7.856 3.797 ( 5.615 -3.168 -0.536) 6.470 3.968 ( 4.152 11.121 -3.931) 12.504 4.199 ( -1.689 1.087 -0.084) 2.011 4.262 ( 8.423 -5.613 -1.612) 10.249 4.391 ( 3.858 4.463 -1.414) 6.066 4.529 ( 10.612 10.717 -8.817) 17.471 4.928 ( 3.320 -4.569 2.693) 6.257 4.975 ( 4.911 -9.227 -10.588) 14.878 5.036 ( -5.501 -3.008 -0.127) 6.271 5.183 ( -4.302 1.582 -0.010) 4.583 5.237 ( -0.178 -2.598 6.925) 7.398 5.390 ( 4.798 0.719 5.589) 7.401 5.475 ( -0.448 -5.165 3.386) 6.192 5.592 ( -3.115 -0.019 -2.186) 3.806 5.794 ( 1.857 -5.127 -0.352) 5.465 5.918 ( 7.824 -1.177 -3.900) 8.821 6.080 ( 4.955 1.523 1.086) 5.297 6.117 ( -0.883 2.925 -11.842) 12.230 6.201 ( 3.705 -8.634 2.760) 9.792 6.353 ( 0.045 1.443 1.767) 2.282 6.420 ( -6.472 0.022 -0.731) 6.514 6.493 ( 2.005 0.470 2.986) 3.627 6.598 ( 1.558 2.179 0.040) 2.679 6.663 ( -1.539 1.288 -1.164) 2.319 6.780 ( 2.364 2.942 -6.472) 7.492 6.848 ( -13.046 2.554 -2.618) 13.549 6.990 ( 1.983 4.056 0.296) 4.525 7.194 ( 5.815 -2.701 -7.760) 10.066 7.307 ( -1.514 -2.536 -2.453) 3.839 7.355 ( -0.243 3.443 -2.178) 4.082 7.618 ( 5.562 -0.488 -0.261) 5.589 7.680 ( 0.459 2.190 0.052) 2.238 7.858 ( 3.272 3.836 -1.154) 5.172 7.917 ( 1.058 2.504 1.926) 3.332 7.975 ( -9.937 0.360 -0.740) 9.971 8.095 ( 4.353 -6.373 7.054) 10.456 8.173 ( 2.641 1.840 3.110) 4.476 8.288 ( 3.442 -1.630 0.546) 3.847 8.448 ( 1.543 6.003 -1.512) 6.380 8.526 ( 5.304 0.507 -10.577) 11.843 8.617 ( 1.785 5.282 -4.727) 7.310 8.736 ( -1.782 -3.649 -1.084) 4.203 8.871 ( -2.093 4.330 1.843) 5.150 9.099 ( -9.017 -0.817 -8.403) 12.353 9.155 ( -5.357 -2.401 7.618) 9.618 9.378 ( 1.609 -0.793 5.287) 5.583 9.580 ( -2.924 -1.293 3.888) 5.034 9.713 ( -5.233 -5.336 6.187) 9.702 9.832 ( -1.052 -1.218 3.442) 3.799 10.007 ( 6.625 -1.172 1.866) 6.982 10.159 ( -2.746 -0.747 -2.728) 3.942 10.284 ( -0.076 -2.606 -1.715) 3.121 10.365 ( 0.494 3.366 -2.024) 3.959 10.531 ( 0.245 1.215 6.986) 7.095 10.860 ( 4.516 -0.667 2.918) 5.418 10.973 ( -3.247 -13.106 -2.931) 13.816 11.133 ( -19.202 -19.093 -3.937) 27.363 11.375 ( 2.201 15.161 -4.738) 16.036 11.625 ( -5.627 9.994 -8.536) 14.297 12.032 ( 3.105 -5.505 -4.616) 7.827 12.159 ( 2.887 -2.611 -6.123) 7.255 12.299 ( -2.567 -0.030 1.318) 2.886 12.448 ( 2.294 -5.403 -0.277) 5.877 12.545 ( -4.005 2.183 -0.734) 4.620 12.669 ( 9.706 1.785 -5.640) 11.366 12.761 ( 0.438 -1.282 2.195) 2.580 12.881 ( -3.003 -1.754 1.940) 3.982 13.177 ( 10.031 8.379 0.033) 13.070 13.417 ( 1.550 -0.573 4.588) 4.877 14.589 ( -20.630 -10.246 -14.311) 27.118 14.752 ( -2.087 3.302 7.302) 8.281 14.875 ( 8.368 8.099 -9.941) 15.312 15.956 ( -19.014 -24.074 -3.134) 30.837 16.710 ( -8.982 1.066 2.359) 9.347 17.349 ( -3.868 40.863 -34.174) 53.410 18.397 ( -3.828 0.368 4.075) 5.603 18.886 ( -16.538 -1.704 -11.868) 20.427 19.062 ( -4.180 -1.012 8.839) 9.830 19.508 ( 7.934 3.593 -1.022) 8.770 20.594 ( -10.292 1.669 -5.248) 11.672 20.960 ( 7.137 -20.389 18.194) 28.243 21.409 ( 1.227 4.303 1.223) 4.638 21.680 ( 22.938 9.720 15.302) 29.237 22.051 ( 0.134 3.334 -12.336) 12.780 22.566 ( 0.326 1.145 -3.482) 3.680 ======================= Grid point 46 (20/97) ======================= q-point: ( 0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 24.958 0.000 16.448) 29.891 1.476 ( -0.049 -0.000 3.388) 3.389 1.832 ( 13.316 0.000 33.363) 35.922 2.149 ( 35.230 0.000 17.544) 39.357 2.710 ( -4.627 -0.000 -5.637) 7.293 2.838 ( -7.962 -0.000 2.513) 8.349 2.956 ( -10.214 -0.000 -1.820) 10.374 3.307 ( -7.606 -0.000 -1.211) 7.702 3.634 ( 0.884 0.000 6.918) 6.974 3.697 ( -10.308 -0.000 2.954) 10.723 3.767 ( 4.822 0.000 -1.113) 4.949 3.880 ( -4.297 -0.000 -2.005) 4.742 4.026 ( 7.562 0.000 2.086) 7.845 4.167 ( -5.670 -0.000 0.759) 5.720 4.194 ( 8.351 0.000 -1.425) 8.471 4.279 ( -0.949 -0.000 -3.166) 3.305 4.496 ( 2.368 0.000 -7.955) 8.300 4.788 ( -12.133 -0.000 6.781) 13.899 4.926 ( -1.198 -0.000 -8.950) 9.030 5.099 ( 5.076 0.000 3.435) 6.129 5.104 ( -1.797 -0.000 -3.504) 3.938 5.232 ( -0.815 -0.000 -5.102) 5.167 5.321 ( -8.043 -0.000 1.181) 8.129 5.559 ( -11.294 -0.000 0.286) 11.297 5.623 ( -3.263 -0.000 6.134) 6.947 5.655 ( 1.676 0.000 -3.267) 3.672 5.887 ( -2.776 -0.000 -3.330) 4.335 6.113 ( 1.760 0.000 -0.280) 1.782 6.144 ( -10.312 -0.000 2.156) 10.535 6.148 ( 1.547 0.000 0.916) 1.798 6.315 ( -2.861 -0.000 -1.792) 3.376 6.436 ( 2.582 0.000 1.447) 2.959 6.580 ( 7.448 0.000 0.153) 7.449 6.628 ( -1.703 -0.000 2.670) 3.166 6.735 ( 1.366 0.000 -2.941) 3.243 6.782 ( 2.170 0.000 -8.408) 8.683 6.826 ( 3.811 0.000 -1.319) 4.033 6.852 ( 3.175 0.000 -3.622) 4.816 7.315 ( 3.796 0.000 -5.616) 6.779 7.359 ( -2.906 -0.000 -3.249) 4.359 7.423 ( -1.337 -0.000 -4.382) 4.581 7.470 ( 7.465 0.000 1.309) 7.579 7.646 ( -5.036 -0.000 0.850) 5.107 7.845 ( -6.361 -0.000 8.257) 10.423 8.089 ( 3.135 0.000 3.703) 4.851 8.127 ( -1.226 -0.000 -2.341) 2.642 8.205 ( 5.554 0.000 3.376) 6.500 8.241 ( 2.094 0.000 1.503) 2.578 8.357 ( -0.714 -0.000 7.642) 7.675 8.536 ( 5.007 0.000 -6.592) 8.278 8.643 ( 12.239 0.000 4.525) 13.048 8.684 ( 0.849 0.000 -1.071) 1.367 8.728 ( -4.574 -0.000 3.876) 5.995 8.934 ( 2.873 0.000 -6.226) 6.856 8.943 ( 3.947 0.000 -5.174) 6.508 9.163 ( 2.385 0.000 -1.576) 2.859 9.322 ( -6.062 -0.000 2.337) 6.497 9.413 ( -0.156 -0.000 -5.845) 5.847 9.497 ( -6.878 -0.000 16.254) 17.649 9.947 ( 4.005 0.000 -1.449) 4.259 9.972 ( -0.780 -0.000 -3.502) 3.588 10.102 ( 1.177 0.000 -6.748) 6.850 10.237 ( -0.772 -0.000 -3.428) 3.514 10.277 ( -1.315 -0.000 2.028) 2.417 10.555 ( 0.337 0.000 1.577) 1.613 10.556 ( -4.900 -0.000 -3.114) 5.806 11.031 ( -7.633 -0.000 -1.965) 7.882 11.145 ( -0.761 -0.000 -2.793) 2.895 11.594 ( 7.630 0.000 2.524) 8.036 11.777 ( 11.142 0.000 -10.982) 15.645 12.032 ( -9.282 -0.000 -2.715) 9.671 12.121 ( 1.444 0.000 -7.963) 8.093 12.190 ( -1.782 -0.000 3.337) 3.783 12.273 ( -3.574 -0.000 -4.612) 5.835 12.579 ( 3.740 0.000 -7.170) 8.087 12.652 ( -5.110 -0.000 1.535) 5.336 12.784 ( 3.863 0.000 1.546) 4.161 12.904 ( -2.939 -0.000 7.168) 7.747 13.104 ( 2.961 0.000 0.857) 3.083 13.401 ( 0.111 0.000 1.897) 1.900 14.714 ( -7.162 -0.000 -5.414) 8.978 14.749 ( -2.392 -0.000 8.720) 9.042 15.140 ( 14.622 0.000 -6.903) 16.169 15.902 ( 4.647 0.000 -19.038) 19.597 16.919 ( -0.680 -0.000 13.947) 13.963 17.132 ( 27.624 0.000 -12.017) 30.124 18.341 ( 1.821 0.000 2.315) 2.946 18.853 ( 3.935 0.000 3.830) 5.491 19.159 ( 3.449 0.000 5.018) 6.089 19.301 ( -15.006 -0.000 -4.300) 15.610 20.361 ( 9.109 0.000 -10.377) 13.808 21.146 ( -13.454 -0.000 14.110) 19.497 21.450 ( 1.417 0.000 0.849) 1.652 21.546 ( 9.758 0.000 1.798) 9.923 22.304 ( -11.101 -0.000 -0.892) 11.137 22.698 ( 4.364 0.000 -4.145) 6.019 ======================= Grid point 47 (21/97) ======================= q-point: ( 0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 1.620 3.400 2.451) 4.493 1.865 ( 20.858 -11.509 11.987) 26.669 2.111 ( -1.477 5.117 27.444) 27.956 2.483 ( 1.374 5.273 -0.070) 5.449 2.552 ( -5.117 8.238 1.308) 9.786 2.725 ( -5.466 -4.079 1.193) 6.924 3.000 ( 3.654 -11.863 -1.161) 12.467 3.184 ( -1.620 1.182 -1.014) 2.247 3.649 ( -1.450 2.444 5.365) 6.071 3.760 ( 13.186 2.300 10.521) 17.025 3.783 ( -5.248 -0.190 -1.838) 5.564 3.850 ( 7.236 -2.771 1.644) 7.921 4.055 ( -4.821 2.944 0.736) 5.696 4.162 ( 1.371 3.221 -0.605) 3.553 4.265 ( 7.450 -4.996 -0.782) 9.004 4.357 ( 2.749 -5.411 -2.406) 6.528 4.498 ( 1.708 0.133 -5.114) 5.394 4.604 ( -12.129 4.443 6.815) 14.605 4.838 ( -1.393 3.943 -7.458) 8.550 5.025 ( -5.180 -0.449 -3.754) 6.413 5.138 ( 1.138 6.766 1.107) 6.950 5.161 ( -3.848 -0.462 1.141) 4.040 5.247 ( -0.179 -1.265 -5.674) 5.816 5.383 ( -7.167 -1.554 3.535) 8.141 5.581 ( -2.044 1.625 0.493) 2.657 5.720 ( -2.633 -6.043 -2.244) 6.963 5.798 ( -1.252 3.735 -0.911) 4.043 5.912 ( -6.620 5.675 -4.916) 10.010 6.193 ( -0.619 -3.625 1.790) 4.090 6.217 ( -1.943 -5.378 6.680) 8.794 6.279 ( -0.065 0.331 -0.999) 1.054 6.425 ( 0.836 8.275 1.715) 8.492 6.653 ( 1.145 -1.393 4.746) 5.077 6.672 ( 4.191 -2.976 -2.362) 5.657 6.719 ( 2.427 1.341 -4.226) 5.054 6.774 ( -1.352 -0.646 -4.435) 4.681 6.875 ( 6.369 2.113 -2.998) 7.349 6.947 ( 6.796 -2.769 -3.392) 8.085 7.260 ( 2.927 6.067 -4.670) 8.197 7.321 ( -0.807 0.569 -4.279) 4.392 7.447 ( -3.579 -6.151 -4.167) 8.247 7.551 ( -3.017 1.179 1.679) 3.648 7.625 ( 4.941 -5.197 -1.116) 7.257 7.817 ( -0.877 -0.268 6.200) 6.267 8.047 ( -4.735 1.934 -2.059) 5.513 8.135 ( 3.301 2.647 1.149) 4.385 8.257 ( 1.553 1.134 2.911) 3.489 8.282 ( -2.354 0.571 0.847) 2.566 8.381 ( 0.167 0.295 0.978) 1.036 8.580 ( 4.946 0.831 -5.616) 7.530 8.642 ( -5.046 -0.075 3.572) 6.183 8.719 ( 0.610 -1.434 1.735) 2.332 8.782 ( 6.742 5.334 -0.909) 8.645 8.911 ( -1.154 -0.587 -2.376) 2.706 8.976 ( 2.910 -0.276 -1.234) 3.173 9.168 ( -2.864 1.569 -4.281) 5.384 9.266 ( 1.618 -4.390 -1.019) 4.788 9.441 ( 0.337 -0.663 1.770) 1.920 9.494 ( -4.610 -1.416 13.897) 14.710 9.927 ( 0.126 2.595 -2.961) 3.939 9.996 ( 1.738 -1.333 -0.320) 2.214 10.111 ( 1.223 -2.988 -4.760) 5.752 10.198 ( -4.766 -2.879 -0.671) 5.608 10.281 ( -2.138 -3.371 0.154) 3.995 10.528 ( 3.342 0.937 -2.837) 4.482 10.571 ( 0.736 -0.320 0.203) 0.828 10.906 ( -6.140 -0.505 -1.749) 6.405 11.133 ( -2.092 -1.585 -4.283) 5.024 11.666 ( 7.387 4.881 0.022) 8.854 11.802 ( -6.990 0.224 -2.633) 7.473 11.901 ( -0.222 -1.226 -7.681) 7.781 12.129 ( 0.369 -1.730 -2.862) 3.365 12.178 ( -0.823 -0.130 -5.101) 5.169 12.230 ( -1.578 -2.663 4.580) 5.527 12.583 ( 0.099 1.302 -4.122) 4.324 12.605 ( 1.289 -0.855 -2.517) 2.954 12.874 ( 3.583 -0.108 1.400) 3.848 12.884 ( -0.238 1.973 5.628) 5.969 13.145 ( 2.837 1.315 0.452) 3.160 13.415 ( 0.489 0.129 1.121) 1.230 14.594 ( -10.412 -5.056 -3.105) 11.984 14.773 ( -1.259 -1.247 7.488) 7.695 15.271 ( 13.642 6.967 -5.537) 16.288 15.801 ( 0.622 6.119 -7.579) 9.760 16.943 ( -2.186 1.757 9.458) 9.865 17.494 ( 17.776 -8.032 -12.778) 23.320 18.409 ( 3.256 -1.041 2.667) 4.336 18.893 ( 0.729 3.843 4.828) 6.214 19.129 ( -9.022 -6.786 -3.308) 11.765 19.244 ( 2.250 -1.532 7.164) 7.664 20.409 ( 6.440 3.491 -5.245) 9.009 21.035 ( -10.475 0.254 11.653) 15.671 21.498 ( 3.583 -1.034 -2.163) 4.311 21.688 ( 8.532 0.509 -1.360) 8.655 22.124 ( -9.584 0.971 -2.467) 9.944 22.721 ( 2.487 0.957 -4.728) 5.427 ======================= Grid point 48 (22/97) ======================= q-point: (-0.50 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( 3.265 8.521 4.514) 10.180 1.868 ( -17.943 13.247 11.132) 24.927 2.061 ( -9.070 20.887 1.913) 22.852 2.379 ( 4.565 -14.883 4.816) 16.295 2.677 ( 7.416 -4.692 12.402) 15.193 2.842 ( 4.111 -7.281 8.460) 11.895 3.064 ( -3.920 3.510 -1.131) 5.382 3.154 ( -5.325 2.019 1.871) 5.995 3.605 ( -6.554 -3.982 2.106) 7.953 3.706 ( 0.045 5.762 0.580) 5.792 3.838 ( -1.055 1.642 1.063) 2.223 3.941 ( -0.187 1.707 0.743) 1.871 4.082 ( -2.195 5.503 -2.749) 6.531 4.114 ( 8.398 8.146 7.410) 13.849 4.374 ( -2.414 -2.555 -2.292) 4.197 4.397 ( 7.119 -6.065 3.103) 9.854 4.510 ( 3.192 -0.864 -5.486) 6.405 4.579 ( 2.612 -0.998 -3.584) 4.546 4.790 ( 9.808 0.979 -0.794) 9.888 4.976 ( -2.938 -3.447 -1.591) 4.800 5.094 ( -2.440 -3.592 -1.300) 4.533 5.165 ( 3.556 2.265 4.206) 5.955 5.255 ( 1.625 -1.447 -5.307) 5.736 5.388 ( -3.434 -8.053 2.505) 9.106 5.532 ( -1.478 1.245 -1.433) 2.406 5.676 ( -1.358 1.269 -4.294) 4.679 5.785 ( -1.500 -0.628 3.094) 3.495 5.816 ( 1.212 -2.901 -3.092) 4.410 6.206 ( -2.628 0.157 1.085) 2.847 6.236 ( -1.056 -3.705 -1.150) 4.021 6.338 ( -0.615 6.322 -0.147) 6.353 6.348 ( 2.930 -2.719 3.777) 5.500 6.610 ( -6.813 2.649 -0.188) 7.313 6.709 ( 4.018 3.413 -6.818) 8.618 6.742 ( -0.835 -4.564 -5.886) 7.495 6.762 ( 0.562 1.062 5.467) 5.597 6.926 ( 3.631 0.107 -1.763) 4.038 7.069 ( 6.694 -3.178 -4.624) 8.734 7.214 ( 1.812 5.564 -3.125) 6.634 7.287 ( 0.267 0.666 -4.418) 4.476 7.390 ( -5.782 -3.250 -1.056) 6.716 7.524 ( -0.983 -0.156 0.755) 1.250 7.728 ( 0.638 -2.185 2.649) 3.493 7.898 ( 3.214 -3.134 -1.983) 4.908 7.962 ( 0.132 3.038 0.588) 3.098 8.105 ( 0.521 4.867 -1.651) 5.165 8.182 ( -5.422 2.090 -2.335) 6.262 8.272 ( 0.156 2.832 5.934) 6.577 8.337 ( -0.665 4.183 -2.273) 4.807 8.554 ( 0.350 0.519 -12.997) 13.012 8.600 ( -4.853 -2.638 -0.919) 5.600 8.765 ( 1.446 3.133 -3.778) 5.116 8.782 ( 8.068 5.556 2.861) 10.205 8.882 ( -3.811 -0.823 4.390) 5.871 9.034 ( 1.895 -1.011 4.400) 4.897 9.116 ( -0.176 -0.115 -2.020) 2.031 9.323 ( -0.394 -2.389 -1.748) 2.986 9.462 ( -2.659 -2.680 7.873) 8.731 9.541 ( -2.339 -3.796 8.408) 9.517 9.881 ( -1.211 2.364 0.083) 2.657 10.001 ( -2.100 -0.924 -2.189) 3.171 10.128 ( -1.917 -2.849 -2.984) 4.549 10.237 ( 1.189 -4.299 2.240) 4.991 10.312 ( -0.152 -7.308 1.114) 7.394 10.553 ( 3.408 2.216 -2.698) 4.879 10.588 ( 1.460 0.414 0.793) 1.712 10.846 ( -4.006 -2.398 -1.089) 4.794 11.051 ( -7.542 -1.304 -5.390) 9.362 11.691 ( 1.013 1.040 -5.067) 5.271 11.722 ( 3.865 3.599 1.349) 5.451 11.888 ( 0.369 -0.895 -4.540) 4.642 12.095 ( -2.301 -0.559 -6.179) 6.618 12.184 ( -0.549 -3.665 2.161) 4.290 12.295 ( -2.217 -4.156 6.043) 7.662 12.574 ( 5.792 1.374 -5.469) 8.084 12.640 ( 2.364 -1.821 -2.991) 4.225 12.833 ( -0.757 4.557 0.956) 4.717 12.943 ( 1.044 0.088 1.550) 1.871 13.176 ( 4.141 1.796 0.925) 4.607 13.420 ( 0.426 0.722 0.228) 0.869 14.487 ( -12.982 -7.134 -1.903) 14.935 14.810 ( -0.725 -0.556 6.509) 6.573 15.290 ( 11.443 12.901 -11.482) 20.717 15.752 ( 1.875 2.639 4.489) 5.535 16.894 ( -6.308 2.452 5.820) 8.926 17.723 ( 12.635 -3.423 -13.490) 18.798 18.449 ( 0.147 0.895 0.810) 1.216 18.880 ( -1.319 0.171 6.189) 6.330 19.106 ( -3.868 -3.886 -3.238) 6.367 19.358 ( 0.919 -4.364 12.840) 13.593 20.450 ( 6.064 1.487 1.946) 6.540 20.914 ( -10.793 1.129 2.808) 11.209 21.549 ( 5.127 1.902 -1.633) 5.708 21.743 ( 3.002 3.714 -1.501) 5.006 22.016 ( -2.517 -3.227 -5.856) 7.144 22.696 ( 0.945 2.544 -5.586) 6.211 ======================= Grid point 49 (23/97) ======================= q-point: (-0.33 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 1.122 22.349 12.027) 25.404 1.451 ( -13.953 21.592 14.163) 29.351 1.765 ( -8.282 2.725 6.493) 10.871 2.474 ( -17.351 36.980 10.854) 42.266 2.625 ( -0.643 -13.768 3.108) 14.129 3.016 ( -8.202 -2.345 -1.134) 8.606 3.052 ( 6.540 -3.164 14.194) 15.945 3.115 ( 6.680 -8.556 6.694) 12.753 3.587 ( -7.847 -5.084 -3.229) 9.892 3.650 ( 0.635 2.116 1.991) 2.974 3.786 ( 2.688 5.401 0.596) 6.062 3.910 ( -2.717 8.713 -4.911) 10.364 4.004 ( 3.063 -2.304 2.609) 4.637 4.196 ( 6.573 -0.137 -0.384) 6.586 4.359 ( 0.412 2.992 -2.703) 4.053 4.517 ( 8.061 4.290 -9.020) 12.835 4.551 ( -2.922 -16.427 -3.024) 16.957 4.678 ( 5.498 -2.533 -1.256) 6.182 4.911 ( 3.730 1.563 1.048) 4.178 4.935 ( -3.149 -1.660 -1.760) 3.971 5.125 ( -3.839 -6.317 0.227) 7.395 5.223 ( -1.323 -0.648 1.643) 2.207 5.289 ( 7.478 1.369 -4.211) 8.690 5.464 ( -4.520 -6.933 -0.791) 8.315 5.501 ( 1.878 -1.734 2.824) 3.809 5.759 ( -1.116 2.968 3.392) 4.643 5.813 ( 15.470 -5.346 -1.054) 16.401 5.926 ( 2.652 -8.831 -2.204) 9.480 6.171 ( -2.670 0.654 -7.677) 8.155 6.222 ( -0.438 6.606 -1.980) 6.910 6.247 ( -3.381 -5.871 -1.411) 6.921 6.385 ( -8.849 -3.342 1.656) 9.603 6.505 ( 3.091 1.532 4.060) 5.327 6.683 ( 0.877 3.139 -4.966) 5.940 6.740 ( -0.886 -2.222 -6.209) 6.654 6.782 ( 0.387 0.315 4.033) 4.064 6.924 ( -5.805 1.493 -0.404) 6.007 7.078 ( -0.898 2.931 -0.853) 3.182 7.208 ( 6.879 0.162 -9.892) 12.049 7.252 ( 2.907 1.798 -2.620) 4.307 7.410 ( 3.002 1.788 2.230) 4.145 7.515 ( -2.421 -4.540 -3.098) 6.006 7.756 ( 0.670 0.440 2.638) 2.757 7.914 ( 1.099 0.652 -1.461) 1.941 7.985 ( 2.136 0.464 4.943) 5.405 8.018 ( -5.461 4.779 -4.651) 8.619 8.049 ( -3.026 4.111 -1.918) 5.453 8.281 ( 0.858 3.651 7.474) 8.362 8.303 ( 5.142 1.521 -1.555) 5.583 8.509 ( 1.529 -1.214 -8.496) 8.717 8.545 ( -0.623 0.284 -8.864) 8.890 8.715 ( -1.430 2.467 1.021) 3.029 8.800 ( 4.833 6.087 -0.024) 7.772 8.891 ( -0.628 -0.512 3.381) 3.477 9.068 ( -5.209 -1.108 -1.747) 5.605 9.115 ( 0.409 0.312 5.314) 5.339 9.322 ( -1.733 -3.297 -0.517) 3.761 9.521 ( 0.384 -3.042 4.327) 5.303 9.587 ( -5.186 -4.626 10.783) 12.828 9.819 ( -4.245 2.470 3.638) 6.112 9.979 ( 0.578 -1.538 -2.474) 2.970 10.125 ( -0.510 -1.701 -2.455) 3.030 10.263 ( 0.980 0.024 -1.049) 1.436 10.467 ( 2.249 -0.318 0.239) 2.284 10.574 ( 0.133 -10.550 0.755) 10.578 10.601 ( 0.786 2.739 2.982) 4.125 10.827 ( -2.531 -2.826 0.137) 3.796 10.929 ( -5.493 -1.191 -3.319) 6.528 11.680 ( 4.482 6.088 -7.193) 10.435 11.723 ( 1.875 3.456 2.440) 4.627 11.898 ( 1.319 -3.044 -4.866) 5.889 12.079 ( 1.513 -3.748 -5.420) 6.761 12.246 ( -0.161 -4.150 2.943) 5.090 12.313 ( -5.708 -3.610 7.789) 10.309 12.643 ( 5.250 2.016 -3.048) 6.396 12.682 ( 2.004 -0.709 -0.626) 2.216 12.762 ( 1.858 2.715 -6.298) 7.105 12.924 ( -1.045 2.524 -0.586) 2.794 13.233 ( 4.007 -0.903 -1.047) 4.239 13.414 ( 0.206 0.756 0.180) 0.804 14.355 ( -15.329 -6.229 -0.930) 16.573 14.825 ( -1.197 1.653 6.949) 7.243 15.188 ( 7.090 13.303 -13.244) 20.066 15.797 ( 2.577 2.792 7.045) 8.005 16.761 ( -8.762 3.231 3.651) 10.026 17.816 ( 9.989 3.527 -19.351) 22.060 18.421 ( -1.354 1.810 1.462) 2.692 18.860 ( -6.536 0.203 1.393) 6.686 19.070 ( -1.740 0.547 2.085) 2.770 19.492 ( -0.222 -4.554 11.740) 12.594 20.617 ( 8.791 -4.916 12.061) 15.714 20.696 ( -13.009 2.340 -7.861) 15.379 21.544 ( 0.632 5.962 -0.474) 6.014 21.759 ( 4.426 0.057 1.395) 4.641 22.044 ( 4.581 -3.850 -8.316) 10.245 22.636 ( 0.833 3.615 -5.291) 6.462 ======================= Grid point 50 (24/97) ======================= q-point: (-0.17 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 13.303 29.115 11.996) 34.184 1.255 ( 0.266 20.344 33.393) 39.103 1.676 ( -13.936 -3.129 3.187) 14.634 1.773 ( -7.960 41.424 24.967) 49.017 2.754 ( -5.358 -9.766 0.908) 11.176 2.977 ( -2.291 -5.220 2.495) 6.223 3.206 ( 0.570 -0.349 7.111) 7.142 3.301 ( -3.534 -7.584 2.905) 8.857 3.457 ( -1.866 3.083 -1.734) 3.999 3.652 ( -3.845 -1.840 -2.773) 5.085 3.780 ( 4.581 1.698 3.033) 5.750 3.854 ( 5.731 1.826 1.021) 6.101 4.083 ( -0.302 -2.439 2.024) 3.184 4.218 ( 1.207 4.987 -4.955) 7.133 4.304 ( 1.932 3.857 -3.221) 5.384 4.474 ( -1.059 3.266 -7.431) 8.186 4.637 ( -1.437 4.197 -9.080) 10.106 4.804 ( 5.058 -16.153 -8.497) 18.940 4.915 ( -0.554 -1.352 0.616) 1.586 4.999 ( 5.881 -2.538 0.511) 6.425 5.128 ( -10.164 -3.431 4.398) 11.594 5.172 ( -3.859 -4.433 -1.893) 6.174 5.356 ( 3.525 -0.752 -1.153) 3.785 5.486 ( 0.913 -3.393 3.202) 4.754 5.565 ( -4.505 -0.563 0.281) 4.549 5.775 ( 3.768 -5.499 4.825) 8.229 5.961 ( -3.353 -5.215 -4.572) 7.704 6.079 ( 1.617 4.695 -3.038) 5.821 6.119 ( 4.381 -8.442 -5.445) 10.960 6.167 ( 2.800 -2.450 -1.337) 3.953 6.315 ( -0.681 -3.506 0.397) 3.594 6.370 ( 5.486 -2.455 1.933) 6.314 6.516 ( -12.361 -0.967 -2.904) 12.734 6.610 ( 1.367 0.215 -1.046) 1.734 6.701 ( 3.971 8.263 -0.825) 9.205 6.743 ( -2.353 2.640 -7.644) 8.423 6.833 ( 2.445 1.102 1.555) 3.100 7.049 ( -1.038 6.101 1.937) 6.485 7.232 ( 4.057 -2.425 -5.499) 7.251 7.338 ( 4.757 0.123 0.296) 4.768 7.398 ( 3.437 2.102 -3.996) 5.674 7.540 ( -1.720 -5.251 -4.950) 7.419 7.765 ( 0.652 3.091 2.074) 3.779 7.808 ( -9.126 0.537 -2.553) 9.492 7.943 ( 1.162 -2.517 -0.704) 2.860 8.013 ( 3.817 2.881 2.023) 5.193 8.054 ( 1.046 0.122 8.790) 8.853 8.278 ( 3.458 4.353 3.684) 6.669 8.362 ( 2.240 0.912 0.389) 2.450 8.478 ( -0.788 2.442 -2.947) 3.908 8.575 ( 8.567 -3.002 -9.288) 12.988 8.683 ( -1.367 0.937 2.750) 3.211 8.798 ( -9.212 -1.275 -2.463) 9.620 8.858 ( 4.617 8.986 -5.862) 11.681 8.908 ( 0.062 4.527 0.329) 4.539 9.171 ( 1.444 -0.364 7.153) 7.306 9.316 ( -5.958 -3.071 -2.062) 7.013 9.537 ( -4.581 -0.726 7.537) 8.850 9.690 ( 1.596 -5.810 9.306) 11.086 9.745 ( -4.189 1.078 1.192) 4.487 10.027 ( 0.261 -3.577 -3.307) 4.879 10.135 ( 2.057 -0.205 -1.849) 2.774 10.276 ( 1.469 0.035 -0.617) 1.594 10.416 ( 0.350 5.588 -2.902) 6.306 10.566 ( -2.434 2.844 4.448) 5.814 10.713 ( -7.275 -12.135 -2.158) 14.312 10.884 ( 8.876 -4.474 3.086) 10.408 10.961 ( 4.966 -2.443 4.207) 6.952 11.548 ( -0.633 11.516 -4.292) 12.306 11.730 ( 6.613 7.359 -4.918) 11.048 11.953 ( 1.037 -6.568 -4.255) 7.894 12.152 ( 4.010 -3.139 -4.259) 6.639 12.276 ( -2.169 -0.611 3.774) 4.396 12.370 ( -1.044 -8.585 5.450) 10.223 12.549 ( -3.839 7.679 -3.374) 9.224 12.699 ( 0.265 -0.435 -1.530) 1.613 12.804 ( 3.219 -2.049 -4.040) 5.557 12.857 ( -0.958 3.892 -1.450) 4.263 13.266 ( -1.378 -0.795 -7.676) 7.840 13.428 ( -1.561 -2.103 2.240) 3.447 14.252 ( 2.166 -3.973 1.636) 4.812 14.810 ( -1.650 3.017 7.902) 8.618 15.039 ( 2.860 11.001 -11.884) 16.445 15.780 ( -1.598 5.501 4.582) 7.335 16.650 ( -1.227 2.243 2.716) 3.730 17.633 ( 3.339 23.542 -29.009) 37.508 18.391 ( -0.885 2.658 2.750) 3.926 18.732 ( -4.472 1.719 1.255) 4.953 19.070 ( -0.535 1.404 7.102) 7.259 19.584 ( -0.986 -2.528 7.832) 8.289 20.410 ( -9.948 3.014 -13.401) 16.960 20.942 ( 6.562 -12.622 15.202) 20.820 21.457 ( -0.739 5.503 -0.498) 5.575 21.748 ( -7.177 1.856 -3.504) 8.200 22.235 ( 12.908 -8.615 -0.719) 15.536 22.594 ( 2.985 2.975 -3.911) 5.750 ======================= Grid point 53 (25/97) ======================= q-point: ( 0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 0.895 0.000 4.527) 4.615 2.124 ( 13.009 0.000 6.886) 14.719 2.175 ( -11.551 -0.000 12.887) 17.306 2.530 ( 0.904 0.000 3.781) 3.887 2.544 ( -6.015 -0.000 1.048) 6.105 2.758 ( 7.237 0.000 15.177) 16.814 2.916 ( 7.827 0.000 -5.866) 9.781 3.138 ( -5.345 -0.000 -1.560) 5.568 3.507 ( -13.220 -0.000 -0.709) 13.239 3.813 ( 2.928 0.000 1.961) 3.524 3.854 ( 1.156 0.000 -1.611) 1.983 3.985 ( -4.290 -0.000 1.593) 4.577 4.135 ( -6.186 -0.000 -0.007) 6.186 4.249 ( 20.688 0.000 12.222) 24.029 4.375 ( 16.798 0.000 0.125) 16.799 4.422 ( 5.134 0.000 -4.406) 6.766 4.476 ( -3.252 -0.000 -6.761) 7.502 4.500 ( -10.528 -0.000 11.660) 15.710 4.834 ( 3.217 0.000 -6.035) 6.839 4.927 ( -3.422 -0.000 -1.272) 3.651 5.074 ( -10.453 -0.000 3.857) 11.142 5.115 ( -0.973 -0.000 -2.984) 3.138 5.277 ( 3.039 0.000 -1.364) 3.331 5.292 ( -1.422 -0.000 2.844) 3.180 5.597 ( -0.298 -0.000 1.032) 1.074 5.620 ( -1.209 -0.000 -3.299) 3.513 5.801 ( -1.570 -0.000 -3.107) 3.481 5.813 ( -5.297 -0.000 -5.296) 7.490 6.077 ( -2.910 -0.000 -0.634) 2.978 6.220 ( -1.328 -0.000 5.968) 6.114 6.297 ( 0.558 0.000 -3.681) 3.723 6.542 ( -0.499 -0.000 0.546) 0.739 6.602 ( 4.116 0.000 0.217) 4.122 6.676 ( -6.215 -0.000 1.090) 6.310 6.745 ( 2.832 0.000 -8.472) 8.933 6.783 ( 3.297 0.000 1.350) 3.562 6.957 ( 4.598 0.000 -2.369) 5.172 6.987 ( -1.152 -0.000 -4.763) 4.900 7.285 ( -3.067 -0.000 -3.964) 5.011 7.289 ( -0.829 -0.000 -4.838) 4.908 7.339 ( 1.410 0.000 -0.470) 1.486 7.587 ( 5.019 0.000 -0.711) 5.069 7.652 ( 4.268 0.000 0.022) 4.268 7.819 ( -1.047 -0.000 4.740) 4.854 8.015 ( -0.218 -0.000 2.028) 2.040 8.200 ( 2.612 0.000 -3.399) 4.287 8.218 ( -6.106 -0.000 -3.700) 7.140 8.300 ( -0.297 -0.000 3.657) 3.670 8.392 ( -0.642 -0.000 2.970) 3.038 8.524 ( -7.921 -0.000 1.105) 7.998 8.569 ( 1.238 0.000 -15.854) 15.902 8.809 ( 5.064 0.000 4.891) 7.040 8.864 ( 0.633 0.000 1.709) 1.822 8.867 ( -2.771 -0.000 2.129) 3.494 9.023 ( 3.908 0.000 1.641) 4.238 9.171 ( 1.505 0.000 -1.159) 1.899 9.259 ( 0.951 0.000 -1.737) 1.980 9.425 ( -1.018 -0.000 -1.908) 2.162 9.475 ( -5.925 -0.000 14.805) 15.946 9.959 ( -1.430 -0.000 -1.745) 2.256 9.963 ( -0.505 -0.000 -0.025) 0.506 10.080 ( 0.714 0.000 -2.589) 2.685 10.121 ( -2.542 -0.000 1.375) 2.890 10.246 ( 0.729 0.000 -0.773) 1.062 10.587 ( 5.190 0.000 -3.574) 6.302 10.600 ( 3.101 0.000 0.106) 3.103 10.799 ( -4.285 -0.000 -1.574) 4.565 11.051 ( -6.806 -0.000 -5.381) 8.676 11.701 ( -1.668 -0.000 -0.852) 1.873 11.770 ( 4.531 0.000 -2.340) 5.100 11.885 ( 1.459 0.000 -3.281) 3.591 12.102 ( -4.780 -0.000 -4.497) 6.563 12.140 ( 3.081 0.000 -2.816) 4.174 12.220 ( -3.358 -0.000 9.310) 9.897 12.588 ( 2.959 0.000 -8.617) 9.111 12.607 ( 3.790 0.000 -3.149) 4.928 12.901 ( -1.620 -0.000 3.443) 3.805 12.942 ( 3.091 0.000 1.653) 3.505 13.203 ( 2.461 0.000 0.979) 2.648 13.431 ( 0.755 0.000 0.282) 0.806 14.401 ( -10.560 -0.000 0.670) 10.581 14.794 ( 0.507 0.000 5.950) 5.971 15.457 ( 9.664 0.000 -8.683) 12.992 15.818 ( 1.222 0.000 -0.377) 1.279 16.941 ( -6.280 -0.000 9.850) 11.682 17.650 ( 16.556 0.000 -13.997) 21.679 18.462 ( 2.258 0.000 0.857) 2.415 18.946 ( -3.943 -0.000 -1.109) 4.096 18.984 ( 1.129 0.000 5.162) 5.284 19.301 ( 0.300 0.000 10.683) 10.687 20.473 ( 3.602 0.000 -4.512) 5.774 20.933 ( -10.331 -0.000 7.699) 12.884 21.567 ( 6.881 0.000 -1.256) 6.994 21.800 ( 7.270 0.000 -4.357) 8.476 21.963 ( -9.479 -0.000 -3.525) 10.114 22.733 ( 1.272 0.000 -4.214) 4.402 ======================= Grid point 54 (26/97) ======================= q-point: (-0.50 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.547 ( -2.013 0.073 2.917) 3.545 1.950 ( -7.059 17.618 15.005) 24.195 2.278 ( -2.615 18.355 0.829) 18.559 2.320 ( 1.737 -3.697 4.927) 6.400 2.733 ( 8.543 -9.260 6.061) 13.982 2.971 ( -0.105 0.491 5.971) 5.992 3.014 ( 1.543 0.177 9.707) 9.831 3.118 ( 2.996 -4.277 -1.664) 5.481 3.358 ( -9.852 -6.593 -0.349) 11.860 3.808 ( -0.668 4.960 -2.882) 5.776 3.839 ( -2.422 0.564 2.679) 3.655 3.942 ( -2.006 -1.385 0.256) 2.451 4.054 ( -4.547 -1.519 2.824) 5.565 4.273 ( -4.807 8.722 1.839) 10.128 4.338 ( -1.685 9.204 1.624) 9.496 4.449 ( -1.127 -1.308 -7.548) 7.743 4.525 ( 7.834 -4.452 2.828) 9.444 4.599 ( 3.989 -2.473 -4.287) 6.357 4.880 ( -3.144 -1.437 1.113) 3.631 4.893 ( 0.918 -0.821 -0.886) 1.517 5.007 ( -2.640 -4.411 0.490) 5.165 5.158 ( 1.382 -4.518 -0.991) 4.828 5.315 ( 1.004 -0.605 2.349) 2.625 5.386 ( 11.575 2.784 -1.072) 11.953 5.550 ( -0.384 3.433 -0.266) 3.465 5.673 ( 5.357 -3.822 0.021) 6.580 5.758 ( 0.916 -3.000 -5.838) 6.627 5.799 ( 4.444 -1.528 -1.146) 4.837 6.089 ( -1.862 -5.832 0.594) 6.150 6.204 ( -3.708 0.573 -3.343) 5.025 6.259 ( -6.216 -3.308 -2.061) 7.337 6.431 ( -5.291 7.752 -5.309) 10.783 6.565 ( -3.403 2.800 4.087) 6.010 6.646 ( -1.655 -1.749 -3.369) 4.141 6.740 ( 2.099 0.903 -7.223) 7.575 6.809 ( -1.461 0.320 2.690) 3.078 6.898 ( -3.959 -4.274 -2.191) 6.224 7.041 ( 5.100 -1.097 2.632) 5.844 7.211 ( -1.584 0.508 -8.352) 8.516 7.292 ( 1.052 -2.370 -3.179) 4.103 7.401 ( 5.768 1.407 -1.998) 6.265 7.609 ( 4.685 6.742 1.239) 8.303 7.727 ( 0.643 -1.807 1.992) 2.765 7.874 ( 0.520 -3.430 2.064) 4.036 8.026 ( 0.626 1.273 -3.313) 3.604 8.110 ( 0.574 2.569 0.711) 2.726 8.155 ( -1.972 3.457 -4.528) 6.028 8.297 ( -1.432 0.515 1.652) 2.246 8.380 ( -0.743 2.076 -0.127) 2.209 8.461 ( -3.748 -3.215 -1.788) 5.251 8.500 ( 0.420 -2.086 -14.269) 14.426 8.796 ( -4.002 0.815 0.917) 4.186 8.810 ( -3.503 1.087 3.194) 4.863 8.976 ( 7.267 2.304 7.360) 10.596 9.090 ( 1.958 2.452 2.316) 3.900 9.158 ( 2.392 2.445 2.026) 3.976 9.243 ( -4.241 -2.404 -4.317) 6.512 9.438 ( 1.072 -2.815 2.007) 3.620 9.485 ( -4.872 -2.710 13.351) 14.468 9.906 ( -1.486 2.759 1.100) 3.321 9.943 ( -2.378 -0.924 -1.001) 2.741 10.094 ( 1.364 -0.251 -0.201) 1.401 10.181 ( 1.328 -8.260 2.554) 8.747 10.265 ( 0.497 -0.607 -0.086) 0.789 10.624 ( 3.559 2.467 -3.091) 5.320 10.662 ( 5.142 1.368 1.516) 5.533 10.768 ( -1.070 -1.301 -0.137) 1.690 10.908 ( -6.492 -0.742 -2.776) 7.100 11.729 ( 6.530 2.846 -2.145) 7.439 11.835 ( 4.152 -0.623 -1.055) 4.329 11.880 ( 0.808 0.773 -1.437) 1.821 11.993 ( -5.961 -1.467 -4.720) 7.744 12.167 ( 0.085 -0.418 2.963) 2.994 12.235 ( -3.229 -3.050 6.218) 7.642 12.606 ( 3.732 -2.831 -9.794) 10.856 12.664 ( 6.145 0.363 -4.578) 7.672 12.871 ( -1.523 3.098 1.282) 3.682 12.970 ( 0.716 0.878 -0.011) 1.133 13.221 ( -0.902 -0.041 1.338) 1.615 13.436 ( 0.464 0.561 -0.745) 1.042 14.268 ( -9.401 -1.164 1.992) 9.680 14.839 ( 0.921 -0.080 5.023) 5.108 15.442 ( 2.936 5.384 -16.062) 17.193 15.890 ( 5.746 2.671 11.528) 13.155 16.857 ( -7.406 3.041 5.321) 9.613 17.800 ( 11.092 -1.849 -13.880) 17.863 18.474 ( 0.902 1.532 0.208) 1.790 18.895 ( -2.045 2.303 2.048) 3.699 19.046 ( 1.027 -2.424 1.733) 3.152 19.370 ( -2.755 -3.122 15.493) 16.042 20.521 ( 3.987 -1.898 0.517) 4.446 20.784 ( -9.963 2.415 -1.754) 10.400 21.667 ( 6.715 2.358 0.236) 7.121 21.780 ( -2.799 2.914 -3.080) 5.081 21.914 ( 2.045 -5.445 -6.421) 8.664 22.713 ( 0.723 1.799 -4.237) 4.659 ======================= Grid point 55 (27/97) ======================= q-point: (-0.33 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -5.195 -0.216 -0.237) 5.205 1.766 ( 1.902 20.499 25.618) 32.865 1.972 ( 4.958 28.029 6.560) 29.210 2.461 ( -3.360 -9.303 3.278) 10.420 2.836 ( -0.892 17.561 2.424) 17.750 2.857 ( -5.208 4.794 3.385) 7.846 3.032 ( -9.544 -7.993 5.265) 13.516 3.202 ( 5.427 -0.282 14.662) 15.637 3.402 ( 1.308 -7.968 0.967) 8.133 3.670 ( -3.972 6.140 -5.671) 9.254 3.832 ( -0.874 1.193 -0.096) 1.483 3.924 ( -1.362 -2.391 -2.531) 3.738 4.093 ( 3.605 2.521 0.198) 4.404 4.241 ( -3.473 -14.663 3.802) 15.541 4.260 ( 1.261 3.017 -0.418) 3.297 4.394 ( -1.128 -0.772 -5.944) 6.099 4.596 ( 2.657 2.985 -7.282) 8.306 4.649 ( -0.894 -2.648 -1.036) 2.980 4.878 ( 2.047 -2.731 3.448) 4.851 4.900 ( -3.506 -3.747 -5.469) 7.499 5.052 ( 1.945 -2.526 -1.068) 3.362 5.166 ( -4.423 1.819 -0.598) 4.820 5.364 ( 0.295 -2.520 0.224) 2.547 5.426 ( 5.128 0.439 -2.936) 5.925 5.529 ( 0.399 1.100 2.795) 3.030 5.692 ( -11.528 -2.995 -1.759) 12.040 5.829 ( 2.853 -6.337 -3.093) 7.608 5.970 ( 3.994 -1.264 -7.511) 8.601 6.046 ( -1.998 -2.356 -1.268) 3.339 6.180 ( 1.254 -4.765 1.635) 5.191 6.251 ( -0.772 -0.961 -3.175) 3.406 6.320 ( 7.489 2.151 1.505) 7.936 6.494 ( -7.962 0.199 -1.448) 8.095 6.615 ( 0.565 -0.688 -4.413) 4.502 6.706 ( 1.259 0.490 -3.963) 4.187 6.834 ( 0.614 -0.757 4.203) 4.315 6.900 ( 0.971 2.364 -2.717) 3.730 7.140 ( 3.805 0.476 4.465) 5.886 7.170 ( 1.001 -2.778 -8.183) 8.700 7.330 ( 3.663 -2.046 -1.619) 4.497 7.424 ( 0.448 0.649 -3.205) 3.301 7.562 ( 1.602 8.864 0.765) 9.040 7.744 ( -2.642 -2.504 2.223) 4.265 7.849 ( -3.592 -0.181 -4.861) 6.047 7.992 ( -1.096 4.974 -6.380) 8.163 8.080 ( 2.263 3.117 0.162) 3.855 8.121 ( 3.273 3.491 5.634) 7.392 8.310 ( -1.663 -3.738 0.559) 4.129 8.348 ( 1.078 -0.032 -3.558) 3.718 8.458 ( -0.599 -5.340 -4.421) 6.959 8.491 ( 0.799 -1.828 -6.640) 6.934 8.745 ( -1.595 0.502 -0.975) 1.935 8.772 ( -0.889 2.449 4.318) 5.044 9.024 ( -2.394 4.178 0.550) 4.847 9.032 ( 1.617 5.032 -0.251) 5.291 9.162 ( -0.298 -0.131 -1.011) 1.062 9.261 ( 2.778 -0.588 8.081) 8.566 9.493 ( -2.633 -1.920 5.884) 6.726 9.557 ( 0.677 -3.970 10.193) 10.960 9.853 ( -0.759 4.673 2.370) 5.294 9.939 ( -0.447 -3.048 -2.614) 4.040 10.127 ( 2.848 -0.343 0.375) 2.893 10.264 ( -0.588 -0.726 -0.632) 1.128 10.349 ( -0.023 -11.908 2.926) 12.262 10.590 ( 1.517 5.743 -2.960) 6.636 10.666 ( -1.219 3.666 1.583) 4.175 10.797 ( 2.101 -2.157 1.810) 3.513 10.947 ( 8.137 -0.961 4.358) 9.280 11.740 ( -0.787 2.984 -4.919) 5.807 11.816 ( 1.121 3.502 0.107) 3.678 11.880 ( 1.769 -0.073 -2.330) 2.926 12.029 ( 3.704 -6.294 -3.041) 7.910 12.205 ( -1.008 -3.371 6.304) 7.220 12.250 ( -1.996 -1.502 3.884) 4.618 12.633 ( 0.104 -1.946 -8.095) 8.326 12.734 ( 6.218 -0.965 -6.302) 8.905 12.793 ( -1.663 4.831 -0.970) 5.200 12.943 ( -0.489 2.501 -1.998) 3.239 13.198 ( -4.261 -2.164 0.342) 4.791 13.424 ( -0.107 0.785 -0.809) 1.133 14.184 ( -3.250 -1.280 1.462) 3.787 14.862 ( -0.995 1.036 5.857) 6.031 15.293 ( -0.186 7.192 -15.309) 16.915 15.966 ( 2.710 7.652 11.081) 13.737 16.732 ( -3.676 3.724 2.419) 5.765 17.861 ( 5.453 0.724 -16.080) 16.994 18.470 ( 1.407 2.865 2.485) 4.045 18.806 ( -4.693 3.696 0.064) 5.974 19.098 ( 2.412 -0.033 2.679) 3.605 19.458 ( -4.823 -5.735 17.174) 18.738 20.511 ( -9.480 4.066 -8.758) 13.531 20.714 ( 6.013 -5.775 4.963) 9.702 21.615 ( -0.919 6.204 -2.146) 6.628 21.770 ( 0.093 0.511 -1.606) 1.688 22.024 ( 5.379 -7.811 -4.235) 10.387 22.675 ( 1.657 2.736 -4.340) 5.391 ======================= Grid point 56 (28/97) ======================= q-point: (-0.17 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -5.232 -2.462 -2.031) 6.129 1.739 ( 8.240 18.593 27.627) 34.306 1.821 ( 11.075 23.671 16.471) 30.891 2.354 ( 1.766 21.154 5.225) 21.861 2.602 ( -0.702 8.984 7.628) 11.806 2.883 ( -3.776 -9.105 3.651) 10.511 3.039 ( -10.280 -11.463 3.113) 15.709 3.256 ( -3.296 6.075 1.346) 7.041 3.480 ( 1.399 0.002 2.507) 2.871 3.592 ( 1.269 -3.178 -1.640) 3.795 3.822 ( 1.535 -1.611 1.894) 2.922 3.920 ( -1.810 -0.141 -1.646) 2.450 4.065 ( -0.796 3.967 0.990) 4.166 4.171 ( -8.079 -0.471 -2.503) 8.471 4.376 ( 2.642 -1.559 -3.066) 4.337 4.449 ( 1.294 0.975 -4.812) 5.077 4.607 ( 0.617 -16.130 -3.950) 16.618 4.611 ( -1.630 2.176 -4.992) 5.684 4.862 ( -3.407 -3.347 -7.437) 8.838 4.976 ( -7.879 4.216 4.079) 9.823 5.024 ( 4.351 -5.001 1.453) 6.786 5.114 ( 2.305 -1.182 -1.449) 2.968 5.365 ( -5.724 -4.451 -2.027) 7.529 5.451 ( 1.707 3.099 -6.527) 7.425 5.551 ( 3.585 0.467 3.778) 5.229 5.652 ( -3.314 -9.963 2.576) 10.811 5.896 ( -1.401 -0.050 1.946) 2.399 6.003 ( -0.243 -8.164 0.853) 8.212 6.112 ( 1.536 -0.410 -4.576) 4.844 6.170 ( 0.872 -1.939 -6.293) 6.643 6.247 ( -1.671 -5.360 2.865) 6.303 6.325 ( -6.283 1.341 -2.978) 7.081 6.503 ( 8.199 1.483 -1.140) 8.409 6.632 ( 1.817 -0.275 -1.831) 2.594 6.721 ( 2.819 0.122 -6.194) 6.806 6.804 ( -0.102 2.867 -1.905) 3.444 6.894 ( 2.033 3.354 1.946) 4.379 7.153 ( 0.403 5.041 0.997) 5.154 7.225 ( 3.126 -0.988 -1.927) 3.802 7.313 ( -6.167 1.304 0.231) 6.308 7.440 ( 1.773 0.201 -1.039) 2.064 7.541 ( 6.735 -2.085 -1.736) 7.261 7.713 ( -2.012 1.429 -3.605) 4.369 7.808 ( 1.269 1.817 0.909) 2.395 7.910 ( 0.456 -0.738 -3.645) 3.746 8.076 ( 0.021 0.149 1.557) 1.564 8.177 ( 3.394 2.135 5.574) 6.866 8.306 ( -0.702 -2.937 -5.000) 5.841 8.371 ( 0.418 -0.900 0.173) 1.008 8.483 ( 1.993 0.796 -4.637) 5.109 8.521 ( -1.906 -6.662 -2.684) 7.431 8.711 ( 0.422 2.389 0.494) 2.476 8.778 ( 3.561 2.053 -0.056) 4.111 8.911 ( -4.183 4.901 3.402) 7.287 8.982 ( -0.131 -0.592 -6.832) 6.859 9.189 ( 3.693 1.807 -1.340) 4.324 9.336 ( 3.327 3.280 10.350) 11.355 9.496 ( -5.474 -1.374 12.626) 13.830 9.600 ( -6.916 0.062 0.671) 6.949 9.834 ( 5.397 1.978 2.719) 6.359 9.949 ( -0.709 -2.862 -5.631) 6.356 10.171 ( 3.020 1.227 -4.614) 5.650 10.293 ( 0.818 -2.193 5.339) 5.829 10.463 ( -3.287 -2.577 1.076) 4.313 10.513 ( -0.096 1.184 -2.599) 2.858 10.606 ( -1.263 3.429 2.564) 4.464 10.915 ( 2.894 -5.307 3.140) 6.811 11.102 ( 9.190 0.909 3.431) 9.852 11.611 ( -2.988 7.478 -3.673) 8.851 11.835 ( 1.112 -3.478 -2.137) 4.231 11.908 ( 3.873 0.793 -3.302) 5.151 12.125 ( 0.863 -3.784 -0.840) 3.971 12.253 ( -0.610 -0.989 3.990) 4.155 12.322 ( 4.348 -5.512 0.207) 7.024 12.546 ( -4.517 4.140 -4.115) 7.381 12.690 ( -3.184 3.287 -1.563) 4.835 12.791 ( 2.551 -1.269 -5.771) 6.436 12.885 ( -0.708 2.950 -1.510) 3.389 13.156 ( -5.515 -2.282 0.464) 5.986 13.411 ( -0.576 0.235 0.479) 0.785 14.327 ( 15.936 -10.362 -2.519) 19.175 14.851 ( -2.267 1.466 6.938) 7.444 15.099 ( -2.475 8.392 -13.139) 15.785 15.867 ( -4.615 9.922 6.462) 12.709 16.737 ( 6.128 0.859 2.028) 6.512 17.749 ( 0.872 10.060 -16.877) 19.667 18.444 ( -1.095 4.106 2.130) 4.753 18.739 ( 1.040 1.420 2.995) 3.474 19.145 ( 2.990 1.934 4.616) 5.829 19.524 ( -7.187 -3.803 12.096) 14.575 20.275 ( -4.294 3.244 -11.004) 12.249 20.942 ( 3.490 -9.476 8.042) 12.909 21.535 ( 2.333 5.330 -1.965) 6.141 21.690 ( -4.613 3.999 -1.949) 6.409 22.184 ( 0.849 -9.419 -1.860) 9.638 22.661 ( 3.707 1.668 -4.733) 6.239 ======================= Grid point 60 (29/97) ======================= q-point: (-0.50 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -6.293 -0.000 0.992) 6.371 2.178 ( 2.494 -0.000 21.611) 21.755 2.254 ( -0.125 -0.000 5.126) 5.127 2.475 ( 2.544 -0.000 2.500) 3.567 2.721 ( -5.812 0.000 4.075) 7.098 2.850 ( -11.605 -0.000 0.328) 11.610 3.175 ( 8.302 -0.000 -1.482) 8.434 3.201 ( 5.617 -0.000 16.503) 17.433 3.267 ( 7.767 -0.000 -3.785) 8.641 3.776 ( -3.806 -0.000 -8.136) 8.983 3.784 ( -9.849 -0.000 9.727) 13.843 3.886 ( -2.410 -0.000 -1.083) 2.642 3.977 ( -2.484 -0.000 1.970) 3.170 4.303 ( -6.533 -0.000 -9.135) 11.230 4.315 ( -3.445 0.000 -0.155) 3.448 4.472 ( 5.479 -0.000 3.704) 6.614 4.503 ( 0.225 0.000 -5.515) 5.520 4.641 ( 0.111 -0.000 1.719) 1.722 4.793 ( -1.739 -0.000 -6.344) 6.578 4.933 ( 0.317 -0.000 2.662) 2.681 4.940 ( 2.167 -0.000 3.588) 4.192 5.184 ( 4.765 -0.000 -2.305) 5.293 5.328 ( -1.126 -0.000 5.738) 5.847 5.453 ( -6.115 -0.000 -5.802) 8.429 5.598 ( 3.235 -0.000 -2.905) 4.348 5.605 ( -8.268 0.000 2.675) 8.690 5.732 ( 3.610 -0.000 -6.007) 7.008 5.936 ( 6.548 -0.000 -6.031) 8.902 6.022 ( -8.518 -0.000 -3.012) 9.035 6.129 ( 12.020 -0.000 -1.623) 12.130 6.140 ( -4.740 -0.000 -0.120) 4.742 6.439 ( 4.859 -0.000 -3.903) 6.233 6.510 ( -6.883 -0.000 0.072) 6.883 6.588 ( -3.368 -0.000 -3.334) 4.739 6.762 ( 3.300 -0.000 -5.293) 6.238 6.821 ( 1.828 0.000 -2.568) 3.152 6.857 ( 3.293 -0.000 7.171) 7.890 7.147 ( 3.831 -0.000 6.466) 7.515 7.152 ( -0.017 -0.000 -9.662) 9.662 7.274 ( 1.155 -0.000 -2.043) 2.347 7.454 ( 2.087 -0.000 -3.302) 3.906 7.694 ( -2.324 -0.000 1.241) 2.635 7.728 ( 0.565 -0.000 -0.198) 0.599 7.825 ( -1.659 -0.000 -2.484) 2.987 8.100 ( -3.159 -0.000 -9.306) 9.828 8.103 ( 9.254 0.000 3.350) 9.842 8.198 ( 4.070 -0.000 -0.063) 4.071 8.283 ( -1.740 -0.000 0.773) 1.904 8.283 ( -13.065 0.000 3.113) 13.430 8.370 ( 1.135 -0.000 -16.750) 16.788 8.442 ( 0.570 -0.000 -2.969) 3.024 8.729 ( -0.906 -0.000 0.109) 0.912 8.836 ( -1.253 -0.000 3.752) 3.956 9.092 ( -8.217 -0.000 -6.861) 10.705 9.125 ( -1.626 0.000 0.942) 1.879 9.136 ( 5.789 -0.000 7.648) 9.592 9.268 ( 6.068 -0.000 8.887) 10.761 9.470 ( 4.098 -0.000 3.023) 5.093 9.494 ( -1.805 -0.000 12.845) 12.971 9.885 ( -2.762 -0.000 -1.327) 3.064 9.922 ( 0.429 -0.000 1.613) 1.670 10.143 ( 2.798 0.000 0.117) 2.800 10.166 ( 2.084 -0.000 6.603) 6.924 10.254 ( -1.294 -0.000 -0.920) 1.588 10.673 ( 2.152 -0.000 -2.128) 3.026 10.716 ( -1.840 -0.000 0.348) 1.872 10.770 ( 1.233 -0.000 1.194) 1.716 10.923 ( 10.837 -0.000 5.471) 12.140 11.823 ( -9.306 0.000 -1.225) 9.386 11.843 ( 2.567 -0.000 -4.573) 5.245 11.882 ( -1.264 -0.000 -2.009) 2.374 11.909 ( 10.075 -0.000 0.614) 10.094 12.197 ( 0.789 0.000 1.424) 1.628 12.203 ( -1.920 -0.000 7.568) 7.808 12.580 ( 3.544 -0.000 -12.719) 13.204 12.718 ( 3.472 -0.000 -4.506) 5.688 12.878 ( -1.192 -0.000 0.525) 1.302 12.976 ( -0.083 -0.000 -1.988) 1.989 13.173 ( -5.904 -0.000 1.887) 6.198 13.436 ( -0.043 -0.000 -1.588) 1.589 14.173 ( -3.979 -0.000 1.419) 4.224 14.872 ( -0.490 -0.000 4.725) 4.750 15.384 ( -2.412 -0.000 -16.117) 16.296 16.081 ( 6.656 -0.000 15.028) 16.436 16.793 ( -6.178 -0.000 1.438) 6.343 17.850 ( 6.138 -0.000 -12.580) 13.997 18.510 ( 1.363 -0.000 1.684) 2.167 18.880 ( -2.189 -0.000 -2.183) 3.092 19.070 ( 1.201 -0.000 5.915) 6.036 19.376 ( -4.558 -0.000 17.281) 17.872 20.576 ( 4.262 -0.000 3.559) 5.553 20.634 ( -8.159 -0.000 -9.622) 12.615 21.716 ( -4.119 -0.000 -2.818) 4.991 21.808 ( 7.719 -0.000 1.434) 7.851 21.868 ( 1.216 -0.000 -7.854) 7.948 22.713 ( 0.678 -0.000 -3.945) 4.002 ======================= Grid point 62 (30/97) ======================= q-point: (-0.33 0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -6.728 -0.010 0.569) 6.752 2.169 ( 0.760 13.264 19.991) 24.003 2.288 ( -10.830 -1.872 4.360) 11.824 2.460 ( 9.246 16.192 8.785) 20.612 2.679 ( -14.596 -6.121 1.847) 15.935 2.751 ( 1.270 -7.279 8.064) 10.937 3.208 ( 3.807 13.059 2.077) 13.760 3.331 ( 1.606 0.324 11.052) 11.172 3.416 ( 6.379 -2.370 -0.519) 6.825 3.639 ( -2.860 4.077 -8.159) 9.559 3.786 ( -2.465 -7.755 4.195) 9.155 3.836 ( -2.625 -2.619 -3.411) 5.038 4.011 ( 0.266 -5.183 0.103) 5.190 4.148 ( -9.808 -4.707 -8.668) 13.910 4.226 ( -2.782 4.407 -0.045) 5.212 4.385 ( -2.187 5.076 -6.021) 8.174 4.588 ( -8.793 -3.346 -0.905) 9.452 4.630 ( 6.540 -0.664 1.425) 6.727 4.781 ( 2.838 -0.984 -8.775) 9.275 4.980 ( 5.679 0.629 3.586) 6.745 5.030 ( 1.676 -3.475 2.711) 4.716 5.130 ( -8.721 6.985 -1.403) 11.262 5.289 ( -1.097 -3.115 -2.134) 3.932 5.392 ( -1.115 -6.575 5.492) 8.639 5.544 ( -0.191 2.600 -2.041) 3.311 5.619 ( 4.326 3.381 -3.224) 6.367 5.807 ( 4.433 -4.328 0.787) 6.246 5.960 ( -1.867 -6.425 0.843) 6.744 5.980 ( 2.014 2.415 -2.812) 4.218 6.103 ( -1.592 -2.739 -0.465) 3.201 6.262 ( 4.996 0.203 -7.562) 9.066 6.352 ( -5.978 2.905 -4.189) 7.856 6.536 ( 1.498 -1.742 -3.307) 4.027 6.568 ( 3.511 -1.637 -2.489) 4.605 6.754 ( 2.514 3.354 -2.816) 5.050 6.836 ( 1.864 0.811 -2.284) 3.058 6.983 ( 5.382 0.742 3.800) 6.630 7.153 ( 2.958 -0.768 -1.386) 3.355 7.177 ( 1.431 -1.044 -0.650) 1.887 7.344 ( 4.412 -3.761 1.635) 6.024 7.425 ( -4.140 2.207 1.420) 4.902 7.639 ( -2.494 4.087 -2.164) 5.254 7.699 ( 0.230 0.365 0.679) 0.804 7.839 ( 4.210 0.474 -4.395) 6.105 7.974 ( -2.988 3.626 -7.075) 8.493 8.090 ( -9.856 -1.487 -0.277) 9.972 8.180 ( -0.201 0.352 -0.206) 0.455 8.249 ( 1.307 -0.232 -0.495) 1.416 8.312 ( 1.378 -2.529 -13.337) 13.644 8.351 ( 2.107 -5.484 0.237) 5.880 8.463 ( 1.625 -1.504 -1.214) 2.525 8.751 ( 2.421 0.385 -1.365) 2.806 8.790 ( -3.318 0.104 -2.325) 4.053 8.953 ( -5.052 0.107 -3.271) 6.019 9.072 ( -1.823 4.476 2.861) 5.616 9.246 ( 4.282 1.174 6.018) 7.478 9.399 ( 4.713 1.216 10.604) 11.668 9.500 ( -2.525 2.072 9.763) 10.295 9.572 ( 0.607 -1.870 5.132) 5.496 9.846 ( -1.753 -2.392 -5.423) 6.180 9.952 ( 3.839 3.010 2.845) 5.647 10.189 ( 4.285 0.310 1.932) 4.710 10.225 ( -2.013 -1.425 3.451) 4.241 10.285 ( 1.866 -5.192 3.847) 6.726 10.652 ( -0.459 3.502 -1.792) 3.960 10.679 ( -1.943 1.643 1.524) 2.966 10.821 ( 3.290 -1.838 1.930) 4.234 11.148 ( 10.421 1.365 6.867) 12.554 11.695 ( -3.194 -0.075 -0.381) 3.218 11.823 ( -1.673 2.403 -3.221) 4.353 11.887 ( 1.138 -2.190 -1.086) 2.697 12.058 ( 7.622 -0.985 -1.134) 7.769 12.221 ( 0.816 -2.073 2.749) 3.538 12.235 ( 0.236 -0.252 6.240) 6.250 12.566 ( 1.814 -0.932 -13.646) 13.798 12.727 ( -0.283 -1.771 -3.968) 4.354 12.835 ( -1.109 4.314 0.173) 4.457 12.940 ( -1.066 1.112 -4.779) 5.022 13.096 ( -6.463 -1.546 3.547) 7.533 13.421 ( -0.519 0.328 -1.269) 1.409 14.180 ( 4.859 -2.097 -1.782) 5.584 14.866 ( -3.668 -0.070 5.518) 6.626 15.236 ( -3.910 2.407 -14.185) 14.909 16.176 ( 1.749 10.225 12.326) 16.110 16.730 ( -0.950 -1.413 0.083) 1.705 17.841 ( 0.953 0.084 -11.991) 12.029 18.511 ( -2.300 1.062 2.605) 3.633 18.833 ( 2.052 4.551 0.109) 4.993 19.139 ( 1.406 -2.721 5.769) 6.532 19.419 ( -4.507 -2.260 18.162) 18.848 20.420 ( -5.064 6.400 -11.928) 14.452 20.718 ( 3.760 -7.411 3.998) 9.222 21.642 ( -1.489 2.347 -2.197) 3.543 21.779 ( -2.069 3.515 -5.802) 7.092 21.972 ( 4.336 -6.513 -1.623) 7.991 22.697 ( 1.192 0.869 -4.607) 4.837 ======================= Grid point 63 (31/97) ======================= q-point: (-0.17 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -6.328 -1.134 2.033) 6.743 2.052 ( -13.269 2.948 15.464) 20.588 2.161 ( -7.871 3.440 6.866) 10.997 2.466 ( 8.848 11.862 10.473) 18.129 2.599 ( -5.753 -4.256 6.598) 9.734 2.962 ( 4.841 -5.987 8.489) 11.460 3.053 ( 3.693 19.510 4.563) 20.374 3.253 ( -7.795 6.314 -1.544) 10.149 3.493 ( -2.588 -1.646 1.397) 3.370 3.559 ( 0.816 -3.489 -2.392) 4.308 3.826 ( 3.324 -5.292 -0.633) 6.281 3.877 ( -0.434 0.437 -1.250) 1.393 3.971 ( -7.941 -1.575 -0.290) 8.101 4.154 ( -2.563 6.561 -0.218) 7.047 4.188 ( -2.684 -18.167 -2.185) 18.494 4.321 ( -0.137 -8.370 -7.529) 11.259 4.509 ( -6.357 -4.932 -3.115) 8.628 4.643 ( 4.072 7.968 -2.694) 9.345 4.817 ( 3.547 2.580 -7.281) 8.500 4.973 ( 0.948 4.503 4.839) 6.677 5.072 ( 2.888 0.897 2.091) 3.676 5.115 ( 2.510 -3.521 1.336) 4.526 5.293 ( 0.094 1.489 -1.085) 1.845 5.468 ( 0.568 -0.342 -3.767) 3.825 5.547 ( 3.325 -4.138 0.708) 5.355 5.665 ( 5.500 1.030 -0.358) 5.607 5.908 ( -2.508 -0.002 1.624) 2.988 5.928 ( -1.478 1.873 2.260) 3.286 6.034 ( -0.566 -7.206 -0.999) 7.297 6.143 ( 2.992 0.788 -1.214) 3.323 6.247 ( 3.659 -0.786 -0.570) 3.786 6.284 ( 0.063 -0.918 -0.626) 1.113 6.559 ( 1.917 -0.043 -7.241) 7.490 6.601 ( -0.761 -5.574 -3.112) 6.429 6.749 ( 1.183 0.732 -1.827) 2.296 6.834 ( 3.012 2.865 -1.571) 4.444 6.985 ( -0.580 5.351 1.464) 5.578 7.149 ( -0.693 -1.380 -3.011) 3.384 7.251 ( -9.249 7.055 1.188) 11.693 7.308 ( 6.225 -0.056 0.412) 6.239 7.450 ( 1.949 -2.100 -0.023) 2.865 7.563 ( -0.274 -0.539 -0.790) 0.994 7.729 ( 1.508 -0.212 0.321) 1.556 7.875 ( 4.065 2.239 -4.842) 6.707 7.902 ( 2.440 -0.982 -3.927) 4.726 8.020 ( -4.330 -2.866 0.054) 5.193 8.165 ( -2.799 -2.941 0.806) 4.139 8.294 ( -1.091 -4.980 -11.967) 13.007 8.300 ( 2.441 -1.952 -0.163) 3.130 8.404 ( -0.862 -4.338 -1.926) 4.824 8.505 ( 3.261 -1.000 -2.300) 4.114 8.705 ( -0.555 -1.181 -7.186) 7.304 8.815 ( -0.544 0.800 0.666) 1.175 8.905 ( 0.927 -0.092 1.142) 1.474 9.004 ( -0.997 5.003 4.179) 6.595 9.282 ( 1.125 3.244 1.802) 3.878 9.462 ( -0.248 2.007 0.999) 2.256 9.490 ( -3.352 1.196 12.137) 12.648 9.534 ( -4.265 3.725 8.479) 10.196 9.865 ( 1.691 -3.509 -4.719) 6.119 9.983 ( 4.618 3.607 1.513) 6.052 10.197 ( 1.564 1.470 -1.588) 2.670 10.313 ( 2.290 -2.986 5.465) 6.635 10.374 ( -2.842 -3.440 4.977) 6.684 10.568 ( -0.711 4.855 -1.606) 5.163 10.631 ( -2.077 2.570 1.417) 3.596 10.908 ( 1.425 -1.725 1.129) 2.506 11.230 ( 3.867 -0.076 2.070) 4.387 11.644 ( -4.441 8.662 -2.534) 10.059 11.773 ( -0.153 -3.923 0.607) 3.973 11.931 ( 2.610 0.097 -2.509) 3.621 12.141 ( 4.327 -0.173 -3.256) 5.418 12.264 ( 0.493 -1.319 2.847) 3.176 12.345 ( 6.370 -3.388 1.200) 7.314 12.488 ( -2.857 1.426 -8.361) 8.950 12.670 ( -4.887 4.017 0.407) 6.339 12.781 ( 0.048 -0.351 -2.866) 2.888 12.907 ( 1.619 1.197 -2.273) 3.036 13.062 ( -4.323 -2.695 3.664) 6.275 13.407 ( -0.421 0.017 -0.115) 0.437 14.411 ( 17.256 -11.778 -5.782) 21.677 14.841 ( -4.069 -1.088 6.030) 7.355 15.060 ( -4.494 4.991 -12.063) 13.807 15.992 ( -5.518 17.319 6.361) 19.258 16.817 ( 4.676 -3.749 1.377) 6.149 17.757 ( -0.899 2.462 -10.794) 11.108 18.461 ( -3.074 1.433 3.432) 4.825 18.837 ( 4.208 4.694 4.200) 7.575 19.229 ( 2.420 -1.422 5.571) 6.238 19.448 ( -6.043 0.256 10.747) 12.332 20.247 ( 0.217 4.026 -6.150) 7.354 20.896 ( 1.840 -8.759 4.558) 10.044 21.604 ( 1.436 1.201 -2.655) 3.249 21.644 ( -6.051 2.294 -5.049) 8.208 22.080 ( 1.015 -4.854 -2.119) 5.393 22.685 ( 1.667 0.037 -5.891) 6.122 ======================= Grid point 68 (32/97) ======================= q-point: (-0.33 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -5.333 -0.000 6.363) 8.303 2.035 ( -24.681 -0.000 4.369) 25.065 2.113 ( -19.030 -0.000 9.498) 21.268 2.607 ( 5.863 0.000 6.869) 9.031 2.755 ( 4.912 0.000 7.088) 8.624 2.885 ( 6.991 0.000 17.148) 18.518 3.281 ( -6.128 -0.000 7.172) 9.433 3.361 ( -3.977 -0.000 7.780) 8.737 3.425 ( -1.487 -0.000 -6.921) 7.079 3.574 ( -18.843 -0.000 -11.323) 21.983 3.688 ( 7.972 0.000 -3.947) 8.895 3.776 ( 7.160 0.000 2.102) 7.462 3.983 ( -1.390 -0.000 -2.660) 3.002 4.005 ( 2.646 0.000 -3.735) 4.577 4.218 ( -15.405 -0.000 -10.656) 18.731 4.257 ( 1.761 0.000 -1.125) 2.089 4.379 ( -7.173 -0.000 -1.828) 7.402 4.789 ( 8.376 0.000 4.990) 9.749 4.796 ( 4.535 0.000 -8.526) 9.657 5.045 ( 3.752 0.000 3.797) 5.338 5.088 ( 3.653 0.000 0.850) 3.750 5.168 ( 5.026 0.000 1.978) 5.401 5.284 ( 2.980 0.000 -1.566) 3.367 5.360 ( -1.252 -0.000 6.263) 6.387 5.572 ( 1.667 0.000 -0.846) 1.870 5.712 ( 5.065 0.000 -4.360) 6.684 5.851 ( 3.010 0.000 1.099) 3.204 5.871 ( 0.095 0.000 -0.180) 0.204 6.072 ( 5.188 0.000 2.121) 5.605 6.113 ( 4.330 0.000 4.382) 6.161 6.286 ( -1.753 -0.000 -3.886) 4.263 6.318 ( 4.539 0.000 -8.651) 9.770 6.406 ( -4.604 -0.000 -2.692) 5.333 6.579 ( -0.106 -0.000 -6.766) 6.767 6.775 ( -0.912 -0.000 -2.615) 2.769 6.881 ( 3.753 0.000 -2.424) 4.467 7.086 ( 3.928 0.000 3.297) 5.128 7.086 ( -6.451 -0.000 -0.820) 6.502 7.296 ( 9.903 0.000 -2.051) 10.113 7.369 ( -6.179 -0.000 5.489) 8.265 7.375 ( 1.725 0.000 -0.058) 1.726 7.649 ( -1.121 -0.000 -2.219) 2.486 7.670 ( -4.245 -0.000 -0.214) 4.250 7.881 ( -2.685 -0.000 -1.697) 3.176 7.930 ( -1.930 -0.000 -7.563) 7.805 7.943 ( 2.547 0.000 1.560) 2.987 8.178 ( 1.688 0.000 -7.266) 7.459 8.195 ( -1.394 -0.000 -8.238) 8.355 8.210 ( -1.890 -0.000 -8.328) 8.540 8.378 ( -0.416 -0.000 2.363) 2.400 8.486 ( 2.065 0.000 -0.430) 2.109 8.683 ( -0.807 -0.000 -12.055) 12.082 8.825 ( 4.898 0.000 2.099) 5.329 8.904 ( -2.617 -0.000 0.697) 2.709 9.086 ( -2.857 -0.000 6.243) 6.866 9.327 ( 0.629 0.000 5.171) 5.209 9.489 ( -0.495 -0.000 0.404) 0.639 9.526 ( -3.942 -0.000 13.273) 13.846 9.585 ( -1.522 -0.000 9.401) 9.523 9.797 ( 3.825 0.000 -7.079) 8.046 10.058 ( 2.900 0.000 2.224) 3.654 10.226 ( -0.668 -0.000 4.085) 4.139 10.254 ( 3.000 0.000 0.634) 3.066 10.303 ( 2.293 0.000 8.745) 9.041 10.635 ( -2.932 -0.000 -0.813) 3.043 10.672 ( -2.214 -0.000 1.333) 2.584 10.881 ( 5.239 0.000 1.605) 5.480 11.236 ( -2.411 -0.000 1.131) 2.663 11.709 ( 2.349 0.000 3.551) 4.258 11.807 ( -4.310 -0.000 -0.108) 4.311 11.934 ( 9.992 0.000 -0.679) 10.015 12.139 ( 5.170 0.000 -4.419) 6.801 12.197 ( -1.290 -0.000 0.703) 1.469 12.299 ( 2.355 0.000 7.089) 7.470 12.533 ( 5.018 0.000 -17.984) 18.671 12.665 ( -4.368 -0.000 1.050) 4.493 12.871 ( 0.696 0.000 2.055) 2.170 12.873 ( -3.541 -0.000 -5.322) 6.392 13.026 ( -4.436 -0.000 3.975) 5.956 13.408 ( -0.654 -0.000 -0.590) 0.881 14.263 ( 11.638 0.000 -5.685) 12.952 14.816 ( -6.011 -0.000 5.597) 8.213 15.118 ( -4.142 -0.000 -12.136) 12.823 16.375 ( 3.098 0.000 11.279) 11.697 16.670 ( -1.474 -0.000 -2.137) 2.596 17.763 ( -3.565 -0.000 -9.517) 10.163 18.473 ( -4.533 -0.000 3.932) 6.001 18.964 ( 9.517 0.000 -1.289) 9.604 19.136 ( -3.492 -0.000 11.507) 12.025 19.458 ( -1.069 -0.000 13.479) 13.521 20.368 ( 0.144 0.000 -11.393) 11.394 20.722 ( 0.905 0.000 6.126) 6.192 21.613 ( -2.818 -0.000 -0.675) 2.898 21.675 ( -7.799 -0.000 -10.577) 13.142 22.013 ( 5.899 0.000 -1.094) 6.000 22.686 ( 0.345 0.000 -5.697) 5.707 ======================= Grid point 69 (33/97) ======================= q-point: (-0.17 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( -13.568 3.643 14.283) 20.034 1.722 ( -29.212 -12.231 5.170) 32.089 1.919 ( -11.491 0.481 9.571) 14.962 2.644 ( -28.122 -5.373 4.658) 29.007 2.773 ( 9.451 1.690 9.531) 13.529 2.904 ( -0.368 6.339 10.929) 12.640 3.156 ( -5.324 6.085 3.428) 8.782 3.244 ( -1.989 8.927 -0.587) 9.165 3.408 ( -1.858 -2.007 -0.668) 2.815 3.551 ( 7.894 -6.949 3.207) 10.996 3.789 ( -0.404 -2.490 -2.764) 3.743 3.874 ( 0.053 -2.973 1.740) 3.445 3.950 ( 2.954 0.893 -2.759) 4.140 4.015 ( -4.311 -6.163 -9.275) 11.941 4.150 ( 10.574 -8.538 -6.485) 15.059 4.222 ( 0.379 4.541 -0.306) 4.567 4.377 ( -0.154 -6.277 -1.675) 6.498 4.778 ( 5.275 6.877 -4.033) 9.560 4.911 ( 4.547 1.216 -1.634) 4.983 5.086 ( 0.764 3.486 1.942) 4.063 5.159 ( 6.642 -0.070 2.298) 7.029 5.195 ( 3.407 7.329 1.352) 8.194 5.308 ( 0.002 0.027 2.847) 2.847 5.435 ( 1.338 -4.102 -0.287) 4.324 5.604 ( 3.944 0.962 -0.392) 4.079 5.744 ( 4.585 0.379 -3.805) 5.970 5.834 ( -2.854 1.291 1.922) 3.676 5.959 ( 2.459 -3.014 -2.662) 4.714 6.074 ( 2.470 8.406 3.032) 9.270 6.198 ( 2.835 0.815 -3.351) 4.464 6.278 ( 1.868 -4.003 3.334) 5.534 6.323 ( 4.830 1.962 -0.467) 5.234 6.483 ( 3.454 -9.181 -0.761) 9.839 6.546 ( 1.936 0.354 -6.410) 6.706 6.727 ( -4.256 0.463 -1.041) 4.405 6.909 ( 1.630 0.993 0.107) 1.912 6.972 ( -4.538 0.885 -4.050) 6.146 7.126 ( 0.954 1.066 -3.208) 3.512 7.199 ( -10.039 6.552 1.563) 12.090 7.394 ( -0.610 -0.205 2.817) 2.889 7.439 ( 5.443 -4.125 -3.675) 7.755 7.555 ( -1.431 2.449 -1.893) 3.410 7.667 ( -4.013 -5.305 -2.032) 6.955 7.875 ( -0.013 -1.980 0.252) 1.996 7.886 ( -1.687 -1.451 2.502) 3.348 7.978 ( 1.631 0.700 -6.364) 6.607 8.129 ( -0.199 -0.726 -4.680) 4.740 8.156 ( 0.521 -1.941 -6.461) 6.766 8.265 ( -0.537 -5.035 0.211) 5.068 8.365 ( 2.861 -1.886 -4.247) 5.457 8.506 ( 3.003 -1.596 -8.558) 9.209 8.671 ( 3.815 -1.345 -7.796) 8.783 8.820 ( -3.833 4.337 2.341) 6.244 8.910 ( -0.859 -2.180 2.090) 3.140 9.079 ( -0.349 2.816 8.846) 9.290 9.305 ( -3.847 2.962 2.266) 5.358 9.396 ( -4.777 0.004 -5.670) 7.414 9.543 ( -2.419 1.563 14.147) 14.437 9.633 ( 0.607 2.652 12.350) 12.646 9.853 ( 4.162 -0.929 -4.013) 5.855 10.041 ( -2.264 1.011 -1.933) 3.144 10.246 ( 1.534 -0.397 0.687) 1.728 10.292 ( -1.838 -1.320 2.096) 3.085 10.374 ( -0.214 0.311 5.749) 5.761 10.610 ( 2.100 1.735 2.848) 3.941 10.615 ( -3.966 1.302 0.378) 4.191 10.951 ( 3.258 3.270 0.221) 4.621 11.239 ( 2.054 -5.073 0.490) 5.495 11.638 ( -9.889 8.744 -1.434) 13.278 11.757 ( 0.817 -1.386 0.831) 1.811 12.017 ( 3.924 5.434 -3.243) 7.446 12.164 ( 2.246 0.767 -6.835) 7.236 12.272 ( 5.811 -4.919 1.093) 7.691 12.374 ( 0.587 -3.315 0.646) 3.428 12.477 ( 4.000 5.229 -10.379) 12.291 12.641 ( -2.939 -1.555 1.806) 3.784 12.771 ( -1.855 3.446 -0.143) 3.916 12.936 ( 2.594 -1.505 1.578) 3.388 12.992 ( -3.131 -2.513 3.474) 5.309 13.400 ( -0.382 -0.122 0.349) 0.531 14.497 ( 17.265 -8.427 -8.422) 20.977 14.776 ( -4.792 -2.473 5.743) 7.878 14.987 ( -3.535 2.730 -10.463) 11.376 16.222 ( -3.502 24.719 3.846) 25.260 16.781 ( 1.833 -10.233 0.650) 10.416 17.665 ( -4.103 -3.511 -8.905) 10.415 18.441 ( -3.239 -0.379 5.677) 6.547 19.015 ( 4.291 8.496 4.306) 10.447 19.217 ( -0.006 -5.581 5.878) 8.105 19.463 ( -1.486 2.696 -1.459) 3.407 20.336 ( 4.617 5.772 7.333) 10.412 20.824 ( 0.373 -8.865 4.509) 9.953 21.487 ( -9.224 -1.694 -10.280) 13.915 21.574 ( -3.084 -2.080 0.350) 3.736 22.086 ( 4.768 -0.011 -4.329) 6.440 22.654 ( -0.501 -0.657 -6.932) 6.982 ======================= Grid point 75 (34/97) ======================= q-point: (-0.17 -0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -22.062 -0.000 32.543) 39.317 1.159 ( -34.534 -0.000 9.633) 35.853 1.735 ( -38.830 -0.000 4.743) 39.119 2.120 ( -8.614 -0.000 14.372) 16.756 3.004 ( 6.427 0.000 6.601) 9.213 3.062 ( 1.702 0.000 10.018) 10.162 3.123 ( 0.182 0.000 3.765) 3.770 3.268 ( -4.283 -0.000 1.129) 4.430 3.381 ( 2.591 0.000 -1.686) 3.091 3.605 ( -7.266 -0.000 -6.594) 9.812 3.732 ( 3.246 0.000 -5.462) 6.353 3.738 ( -4.133 -0.000 -2.284) 4.722 3.883 ( 1.522 0.000 -0.417) 1.578 4.135 ( 12.175 0.000 2.644) 12.459 4.242 ( -2.539 -0.000 -0.002) 2.539 4.265 ( 15.429 0.000 -9.157) 17.942 4.342 ( 2.289 0.000 -0.720) 2.399 4.934 ( 1.367 0.000 0.982) 1.683 4.939 ( 10.002 0.000 -7.008) 12.213 5.098 ( -3.196 -0.000 2.893) 4.310 5.237 ( -0.103 -0.000 -0.119) 0.158 5.277 ( -3.423 -0.000 6.802) 7.614 5.319 ( 1.638 0.000 -2.208) 2.749 5.438 ( 2.987 0.000 2.334) 3.791 5.710 ( 5.924 0.000 2.229) 6.330 5.715 ( -0.954 -0.000 -6.278) 6.350 5.910 ( 5.145 0.000 -2.479) 5.711 5.942 ( 2.435 0.000 0.469) 2.480 6.189 ( 0.511 0.000 -12.513) 12.523 6.222 ( 1.120 0.000 3.467) 3.644 6.253 ( 2.841 0.000 5.053) 5.796 6.396 ( 4.438 0.000 -1.531) 4.695 6.538 ( 4.697 0.000 7.082) 8.498 6.559 ( 2.491 0.000 -4.932) 5.525 6.652 ( -4.749 -0.000 0.763) 4.810 6.825 ( -6.313 -0.000 -5.123) 8.130 6.955 ( 1.528 0.000 -3.198) 3.544 7.060 ( -14.719 -0.000 0.589) 14.731 7.187 ( 5.354 0.000 -5.007) 7.331 7.303 ( -1.211 -0.000 -5.630) 5.759 7.460 ( -8.663 -0.000 -2.335) 8.972 7.512 ( 4.605 0.000 4.005) 6.103 7.649 ( 4.368 0.000 -3.239) 5.438 7.826 ( -0.349 -0.000 -4.291) 4.305 7.897 ( -2.024 -0.000 5.961) 6.295 7.996 ( 5.280 0.000 -0.616) 5.316 8.098 ( 3.015 0.000 -1.868) 3.547 8.121 ( -7.352 -0.000 -1.753) 7.559 8.250 ( 3.871 0.000 3.187) 5.014 8.376 ( 2.769 0.000 -5.107) 5.810 8.500 ( 5.705 0.000 -13.206) 14.385 8.654 ( -1.138 -0.000 -5.610) 5.725 8.832 ( -1.895 -0.000 -1.265) 2.278 8.849 ( -4.616 -0.000 5.309) 7.035 9.134 ( -1.566 -0.000 7.844) 7.999 9.275 ( -4.626 -0.000 -5.617) 7.276 9.324 ( -0.106 -0.000 6.382) 6.383 9.586 ( -2.964 -0.000 12.734) 13.074 9.729 ( 1.995 0.000 10.197) 10.390 9.915 ( 6.022 0.000 -3.097) 6.772 9.922 ( -10.288 -0.000 -2.142) 10.508 10.230 ( -1.889 -0.000 -4.642) 5.011 10.296 ( 1.127 0.000 3.250) 3.440 10.359 ( -3.299 -0.000 1.309) 3.549 10.543 ( -5.254 -0.000 1.417) 5.442 10.740 ( 7.944 0.000 5.565) 9.699 11.078 ( 5.797 0.000 1.093) 5.900 11.206 ( 1.557 0.000 -1.348) 2.059 11.538 ( -12.272 -0.000 0.435) 12.280 11.722 ( -3.080 -0.000 -9.647) 10.126 12.054 ( 0.780 0.000 -5.263) 5.320 12.181 ( 1.796 0.000 -4.987) 5.301 12.312 ( 1.294 0.000 -1.237) 1.790 12.424 ( 10.684 0.000 -1.475) 10.786 12.534 ( 6.676 0.000 -16.600) 17.892 12.574 ( -4.507 -0.000 6.561) 7.960 12.794 ( -0.634 -0.000 0.365) 0.732 12.931 ( -3.104 -0.000 2.496) 3.983 12.980 ( 1.184 0.000 9.679) 9.751 13.399 ( -0.265 -0.000 1.784) 1.803 14.640 ( 15.402 0.000 -10.208) 18.478 14.726 ( -3.399 -0.000 6.545) 7.375 14.909 ( -2.640 -0.000 -11.559) 11.857 16.487 ( 0.837 0.000 -4.279) 4.360 16.652 ( 0.543 0.000 1.553) 1.646 17.424 ( -15.319 -0.000 -17.921) 23.576 18.420 ( -3.526 -0.000 6.574) 7.460 19.103 ( -6.214 -0.000 9.954) 11.734 19.297 ( 13.144 0.000 -3.008) 13.484 19.316 ( -11.003 -0.000 -27.505) 29.624 20.692 ( 20.649 0.000 38.808) 43.960 20.727 ( -5.947 -0.000 3.300) 6.801 21.270 ( -7.910 -0.000 -9.028) 12.002 21.498 ( -4.801 -0.000 2.513) 5.419 22.119 ( 2.690 0.000 -10.153) 10.503 22.594 ( -1.549 -0.000 -6.186) 6.377 ======================= Grid point 76 (35/97) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -2.726 -0.000 28.471) 28.601 1.221 ( 3.874 0.000 25.873) 26.161 1.780 ( -17.754 -0.000 -0.382) 17.758 2.415 ( -4.208 -0.000 52.717) 52.884 2.822 ( -6.571 -0.000 -2.066) 6.888 3.115 ( -7.144 -0.000 6.462) 9.634 3.295 ( -5.992 -0.000 -1.822) 6.263 3.423 ( 0.505 0.000 2.102) 2.162 3.635 ( 0.179 0.000 -1.412) 1.423 3.671 ( 0.330 0.000 3.353) 3.370 3.716 ( 11.708 0.000 3.368) 12.183 3.836 ( 5.585 0.000 0.175) 5.588 3.946 ( 5.190 0.000 0.866) 5.262 4.170 ( -8.952 -0.000 -1.355) 9.054 4.227 ( 1.595 0.000 -5.402) 5.633 4.343 ( 1.280 0.000 -4.169) 4.361 4.375 ( -5.277 -0.000 -0.711) 5.325 4.735 ( 5.032 0.000 -11.579) 12.625 4.969 ( 0.213 0.000 -5.546) 5.550 5.025 ( -0.692 -0.000 0.089) 0.698 5.099 ( 1.092 0.000 -1.103) 1.552 5.204 ( -0.645 -0.000 -4.330) 4.378 5.557 ( -2.113 -0.000 1.732) 2.732 5.580 ( -0.818 -0.000 1.344) 1.573 5.706 ( 2.955 0.000 1.540) 3.332 5.796 ( -4.282 -0.000 -1.458) 4.523 5.897 ( 7.475 0.000 -0.198) 7.477 6.056 ( 0.807 0.000 -0.946) 1.244 6.140 ( 2.207 0.000 -9.332) 9.590 6.222 ( -1.387 -0.000 1.196) 1.832 6.284 ( 5.094 0.000 -11.989) 13.026 6.367 ( -0.517 -0.000 -4.221) 4.253 6.457 ( 3.642 0.000 2.424) 4.375 6.526 ( -7.581 -0.000 8.102) 11.096 6.708 ( 7.049 0.000 -1.362) 7.180 6.724 ( -1.645 -0.000 -2.311) 2.837 6.768 ( 1.127 0.000 6.129) 6.232 6.905 ( -6.152 -0.000 -0.013) 6.152 7.156 ( 4.768 0.000 -7.309) 8.727 7.246 ( 6.604 0.000 2.365) 7.014 7.394 ( 0.790 0.000 -1.267) 1.493 7.458 ( -3.215 -0.000 -8.602) 9.183 7.808 ( 2.934 0.000 -0.190) 2.940 7.840 ( -1.860 -0.000 0.713) 1.992 7.974 ( 9.606 0.000 1.437) 9.713 8.029 ( 7.011 0.000 -12.676) 14.486 8.039 ( 2.813 0.000 2.577) 3.815 8.291 ( 1.430 0.000 -1.517) 2.085 8.341 ( -3.439 -0.000 5.966) 6.886 8.354 ( -0.088 -0.000 -3.045) 3.046 8.505 ( -2.643 -0.000 2.485) 3.628 8.676 ( 5.374 0.000 -0.551) 5.402 8.715 ( 9.341 0.000 5.611) 10.897 8.805 ( -4.214 -0.000 5.422) 6.867 8.971 ( -7.149 -0.000 7.489) 10.353 9.209 ( -7.009 -0.000 -8.618) 11.109 9.345 ( -0.037 -0.000 3.362) 3.363 9.645 ( -6.188 -0.000 -7.132) 9.442 9.679 ( 2.441 0.000 5.946) 6.428 9.886 ( 0.395 0.000 -11.403) 11.410 9.917 ( -1.820 -0.000 3.041) 3.544 10.023 ( -4.656 -0.000 -6.789) 8.232 10.232 ( -3.078 -0.000 -0.176) 3.083 10.363 ( -0.384 -0.000 1.512) 1.561 10.644 ( -4.585 -0.000 2.369) 5.161 10.816 ( -9.742 -0.000 -0.131) 9.743 10.992 ( 20.929 0.000 -1.029) 20.955 11.126 ( -0.889 -0.000 -6.181) 6.244 11.297 ( -5.197 -0.000 2.301) 5.683 11.444 ( 3.233 0.000 6.204) 6.996 11.907 ( 4.962 0.000 -15.648) 16.416 11.976 ( 8.028 0.000 -11.658) 14.155 12.239 ( -3.605 -0.000 -3.092) 4.750 12.404 ( 4.239 0.000 -3.027) 5.209 12.443 ( -5.967 -0.000 3.880) 7.118 12.691 ( 2.931 0.000 -1.566) 3.323 12.741 ( -0.580 -0.000 -0.126) 0.593 13.016 ( 2.086 0.000 -0.991) 2.309 13.094 ( -1.671 -0.000 0.649) 1.793 13.578 ( -4.348 -0.000 3.359) 5.494 14.383 ( 6.028 0.000 2.789) 6.643 14.645 ( 5.392 0.000 -10.712) 11.992 14.934 ( -1.778 -0.000 10.394) 10.545 15.764 ( -4.509 -0.000 2.644) 5.227 16.689 ( -2.267 -0.000 3.313) 4.015 17.027 ( 4.128 0.000 17.410) 17.893 18.418 ( -5.063 -0.000 2.378) 5.593 18.811 ( 0.739 0.000 5.417) 5.467 19.254 ( -4.711 -0.000 10.431) 11.445 19.640 ( 1.420 0.000 3.551) 3.824 19.986 ( -5.066 -0.000 -21.796) 22.377 21.331 ( 6.047 0.000 2.653) 6.603 21.373 ( -3.108 -0.000 -0.251) 3.118 21.671 ( -6.897 -0.000 0.000) 6.897 22.386 ( 15.015 0.000 -0.827) 15.038 22.511 ( -0.561 -0.000 -2.986) 3.038 ======================= Grid point 77 (36/97) ======================= q-point: ( 0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( 2.428 -3.559 10.298) 11.163 1.587 ( 5.896 -16.541 19.106) 25.950 1.780 ( 23.029 -8.064 16.381) 29.389 2.615 ( -4.915 2.091 34.299) 34.712 2.743 ( -5.296 -2.657 10.027) 11.647 3.042 ( -5.171 -0.560 6.667) 8.456 3.123 ( -12.904 1.524 -0.086) 12.994 3.351 ( -4.522 7.043 0.563) 8.389 3.647 ( 3.536 0.935 -0.016) 3.658 3.677 ( 0.714 2.118 2.359) 3.250 3.882 ( -3.340 1.226 -0.562) 3.602 3.926 ( -3.364 -2.765 2.718) 5.134 3.976 ( 6.272 -8.100 -3.921) 10.969 4.037 ( 1.996 2.108 -1.767) 3.398 4.203 ( -2.100 2.350 -2.387) 3.954 4.308 ( -1.003 -2.539 -6.353) 6.915 4.365 ( -0.543 -4.882 -1.417) 5.112 4.701 ( 3.063 6.252 -10.816) 12.863 4.919 ( -1.414 0.135 -5.044) 5.241 5.065 ( 4.310 0.932 2.521) 5.079 5.110 ( -1.894 0.967 0.306) 2.148 5.159 ( -3.012 -2.120 -4.699) 5.971 5.406 ( -3.423 14.072 4.252) 15.094 5.532 ( -1.713 4.551 1.783) 5.180 5.717 ( -2.862 1.320 4.738) 5.691 5.813 ( -2.508 -7.864 -5.043) 9.673 5.883 ( -8.752 4.369 -1.159) 9.850 5.981 ( 4.339 6.902 -1.786) 8.346 6.089 ( 1.646 -1.572 -5.474) 5.929 6.228 ( 1.359 6.671 -0.482) 6.825 6.326 ( 7.415 4.247 -4.619) 9.714 6.367 ( 2.462 -0.454 -7.498) 7.905 6.474 ( -0.091 -1.825 3.087) 3.587 6.531 ( 4.422 1.364 1.107) 4.759 6.643 ( 0.101 2.565 0.068) 2.568 6.734 ( -1.032 -0.507 -1.013) 1.532 6.878 ( -0.463 -5.732 3.848) 6.919 6.904 ( -4.892 -8.849 -0.701) 10.135 7.165 ( 0.833 0.666 -4.675) 4.795 7.323 ( -3.217 1.248 -4.504) 5.674 7.379 ( 6.360 -2.176 -0.630) 6.752 7.414 ( 0.876 -2.850 -4.678) 5.547 7.703 ( -4.276 2.055 -1.865) 5.097 7.906 ( 6.056 6.747 1.188) 9.143 8.037 ( 2.520 4.688 -0.294) 5.331 8.053 ( 4.754 2.445 -8.699) 10.211 8.140 ( 7.794 -0.491 -1.036) 7.877 8.258 ( 2.243 -0.283 4.491) 5.028 8.341 ( -3.347 -3.235 1.462) 4.879 8.482 ( 1.339 -1.518 1.540) 2.543 8.527 ( 4.544 -2.891 0.294) 5.394 8.756 ( -2.559 0.592 2.769) 3.817 8.764 ( 4.157 0.888 0.661) 4.302 8.868 ( 3.269 -2.578 -0.555) 4.200 8.950 ( -3.463 -2.415 8.110) 9.143 9.114 ( 1.828 0.295 -1.198) 2.206 9.334 ( -4.045 -1.720 -10.065) 10.983 9.508 ( -6.269 -1.603 3.497) 7.355 9.737 ( -0.215 -0.138 6.506) 6.511 9.876 ( 2.496 -0.367 -3.920) 4.662 9.903 ( -0.420 0.271 -1.759) 1.829 9.966 ( 1.647 -2.274 -6.000) 6.625 10.224 ( -0.381 -3.560 -0.556) 3.623 10.378 ( -1.045 -2.917 2.275) 3.844 10.597 ( -4.970 1.859 0.793) 5.365 10.660 ( -7.010 -1.286 1.825) 7.357 11.040 ( -3.080 2.340 -2.545) 4.630 11.156 ( -0.504 -2.181 -4.389) 4.927 11.354 ( 13.529 3.810 -1.346) 14.120 11.630 ( 5.445 -9.080 -0.888) 10.624 11.891 ( 4.807 1.432 -9.804) 11.013 12.016 ( 6.300 0.697 -14.309) 15.650 12.136 ( -5.983 0.187 -4.444) 7.456 12.378 ( -3.900 1.044 5.070) 6.481 12.476 ( 2.189 -3.840 -1.775) 4.763 12.663 ( -0.696 3.014 -1.080) 3.276 12.783 ( 1.107 -3.123 -0.044) 3.314 12.978 ( 0.480 6.360 2.430) 6.826 13.118 ( -0.630 -3.149 0.371) 3.233 13.505 ( -4.912 1.457 5.372) 7.423 14.522 ( 17.407 7.924 -9.304) 21.269 14.670 ( 1.379 -3.668 -8.475) 9.337 14.968 ( -2.830 -1.920 9.606) 10.197 15.789 ( -0.459 -3.315 3.566) 4.890 16.765 ( 9.184 0.305 1.633) 9.333 17.254 ( 1.984 -11.589 13.311) 17.760 18.397 ( -1.121 -2.604 2.911) 4.063 18.862 ( 2.917 1.662 5.688) 6.605 19.265 ( -0.149 0.427 8.390) 8.402 19.488 ( -17.066 -5.909 -6.941) 19.348 20.029 ( 13.201 -0.563 -8.700) 15.820 21.313 ( -2.177 2.777 1.914) 4.014 21.428 ( 5.603 0.571 0.381) 5.645 21.596 ( -5.666 -1.761 2.347) 6.381 22.383 ( -6.091 6.542 -2.228) 9.213 22.526 ( 5.987 0.291 -5.487) 8.126 ======================= Grid point 78 (37/97) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.485 ( -0.759 1.476 8.750) 8.906 2.074 ( 8.225 -18.249 16.629) 26.023 2.376 ( 18.916 -8.463 9.399) 22.755 2.473 ( -12.503 7.979 9.519) 17.624 2.829 ( -8.168 -1.254 21.973) 23.475 2.899 ( -10.094 -1.073 3.470) 10.727 3.130 ( 0.775 -6.061 6.944) 9.250 3.198 ( -1.832 2.860 2.111) 3.999 3.636 ( -0.296 5.095 1.917) 5.452 3.708 ( 5.031 0.615 2.770) 5.776 3.812 ( -0.112 -0.721 3.156) 3.239 3.958 ( -3.692 -6.423 0.649) 7.437 4.042 ( 4.679 5.373 1.638) 7.310 4.096 ( -3.334 5.583 -0.527) 6.524 4.185 ( 5.397 -7.894 -6.468) 11.544 4.294 ( 2.866 0.388 -8.492) 8.971 4.415 ( -1.327 -5.192 -2.764) 6.029 4.587 ( 1.381 7.064 -8.520) 11.153 4.894 ( -1.785 11.624 -0.220) 11.763 4.916 ( -8.700 -0.888 3.799) 9.535 5.076 ( -1.135 3.862 -0.617) 4.072 5.170 ( -0.222 -3.549 -4.182) 5.490 5.281 ( -0.867 2.237 4.224) 4.858 5.472 ( 0.470 3.941 4.013) 5.644 5.602 ( -4.442 3.297 -2.305) 5.993 5.744 ( -3.512 2.286 1.069) 4.324 5.848 ( -4.822 1.026 -3.767) 6.204 5.872 ( -1.799 -2.123 -3.284) 4.305 6.122 ( 6.400 3.269 -2.606) 7.645 6.169 ( 0.397 5.502 -3.769) 6.681 6.324 ( 2.151 3.489 -2.403) 4.751 6.397 ( 9.059 2.783 -10.316) 14.008 6.510 ( -0.426 0.242 7.894) 7.909 6.611 ( 3.223 0.932 -0.747) 3.437 6.659 ( 5.490 -3.018 -0.680) 6.302 6.773 ( 2.792 -1.820 0.957) 3.468 6.879 ( -1.704 -1.513 -5.363) 5.827 6.920 ( -9.133 -6.825 2.208) 11.613 7.130 ( -1.596 -0.978 -3.015) 3.549 7.275 ( -1.121 -2.994 -4.719) 5.700 7.447 ( 0.760 -2.206 -2.838) 3.674 7.552 ( 9.260 -6.200 -1.877) 11.301 7.620 ( -0.950 3.577 0.277) 3.712 7.888 ( -0.569 3.278 2.775) 4.332 8.000 ( 0.755 4.110 -5.137) 6.622 8.028 ( 3.889 6.118 -4.072) 8.315 8.176 ( 3.650 5.282 -3.270) 7.206 8.312 ( -2.066 -0.830 1.281) 2.569 8.334 ( -1.017 1.145 2.908) 3.287 8.495 ( 0.220 1.287 -1.529) 2.011 8.540 ( 2.821 6.413 -2.104) 7.315 8.697 ( -0.405 3.721 -0.486) 3.774 8.813 ( -1.296 -1.462 -1.175) 2.280 8.920 ( 2.423 -2.233 2.311) 4.024 9.008 ( 0.103 -4.454 7.192) 8.460 9.163 ( -2.904 -2.199 -3.887) 5.327 9.259 ( 0.717 -4.634 -3.773) 6.019 9.521 ( -1.035 -3.402 1.847) 4.007 9.757 ( -2.185 -0.567 8.260) 8.563 9.880 ( 0.122 -0.894 -0.638) 1.105 9.919 ( 3.643 0.692 -2.664) 4.566 10.060 ( 4.812 -5.374 -1.113) 7.299 10.290 ( -0.377 -6.279 -0.325) 6.299 10.409 ( -2.134 -3.278 0.900) 4.013 10.506 ( -4.396 -2.091 0.956) 4.961 10.641 ( -2.972 -1.681 4.200) 5.413 10.942 ( -4.190 1.098 -1.576) 4.609 11.169 ( -2.566 -6.571 -5.192) 8.759 11.444 ( 8.306 5.330 -2.040) 10.078 11.707 ( 2.197 -0.449 -10.261) 10.503 11.896 ( -3.505 -0.747 -5.612) 6.658 12.025 ( 4.396 0.032 -7.240) 8.470 12.078 ( 2.469 -2.711 -5.397) 6.525 12.353 ( -1.542 0.046 5.042) 5.272 12.530 ( -0.194 -1.176 -0.935) 1.514 12.615 ( -1.425 -1.072 -0.459) 1.841 12.843 ( 3.081 -0.020 1.280) 3.336 12.925 ( 1.021 4.942 3.395) 6.082 13.131 ( -2.136 -0.945 1.293) 2.669 13.457 ( -2.440 1.429 3.277) 4.328 14.575 ( 13.092 8.670 -15.527) 22.083 14.694 ( 3.156 -0.609 -5.922) 6.738 14.990 ( -3.472 -1.501 7.938) 8.793 15.834 ( -2.986 -4.239 5.850) 7.818 16.904 ( 8.942 2.572 1.523) 9.428 17.449 ( -0.103 -9.059 3.018) 9.549 18.466 ( 0.310 -4.063 4.055) 5.749 18.911 ( 2.726 0.829 5.296) 6.014 19.275 ( -6.416 -5.089 -7.815) 11.320 19.381 ( -2.215 -3.504 7.768) 8.805 20.201 ( 11.312 -1.915 -0.625) 11.490 21.246 ( -3.309 5.785 6.690) 9.443 21.472 ( 0.321 0.805 -1.965) 2.147 21.568 ( 0.335 -1.333 -2.335) 2.709 22.171 ( -7.468 6.096 -3.362) 10.210 22.551 ( 3.397 1.255 -7.356) 8.200 ======================= Grid point 79 (38/97) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -1.681 -1.137 14.566) 14.707 2.144 ( -14.575 9.502 8.230) 19.247 2.207 ( -18.012 7.366 13.723) 23.812 2.646 ( 2.072 -18.388 7.813) 20.087 2.911 ( -2.280 -3.805 5.923) 7.400 3.004 ( 8.758 -3.946 20.767) 22.881 3.110 ( -3.385 -0.272 1.604) 3.756 3.273 ( -3.573 0.459 6.483) 7.416 3.577 ( 1.081 6.602 3.171) 7.403 3.743 ( 0.396 1.532 -1.048) 1.898 3.860 ( -3.273 4.152 0.671) 5.330 3.943 ( -4.446 0.730 -1.306) 4.691 4.014 ( -0.548 5.373 -0.201) 5.405 4.017 ( 4.298 4.395 6.032) 8.612 4.168 ( 3.074 4.587 -8.244) 9.922 4.362 ( 7.050 1.670 -1.337) 7.368 4.396 ( 0.911 4.465 -4.107) 6.135 4.543 ( 1.979 -2.396 -5.218) 6.073 4.723 ( 0.268 -2.781 3.508) 4.485 4.961 ( 2.705 -4.938 -4.583) 7.260 5.072 ( 3.910 -2.423 0.425) 4.620 5.183 ( -2.644 -4.196 -2.061) 5.371 5.283 ( 0.478 0.398 1.978) 2.074 5.466 ( 0.348 4.706 1.891) 5.083 5.555 ( -1.330 -7.018 -2.741) 7.651 5.676 ( -0.761 2.427 1.931) 3.194 5.807 ( -0.263 -4.129 -2.244) 4.707 5.865 ( -2.712 -2.305 -1.414) 3.830 6.051 ( 0.807 5.777 -11.260) 12.681 6.156 ( 5.035 5.418 -1.360) 7.520 6.307 ( 1.784 -0.221 -1.229) 2.178 6.444 ( 6.842 1.675 -8.102) 10.736 6.513 ( -4.200 0.728 5.477) 6.940 6.640 ( 3.222 0.697 -1.031) 3.454 6.755 ( 3.159 3.195 2.996) 5.401 6.808 ( -1.970 -1.192 -3.082) 3.848 6.863 ( -2.835 -3.506 -0.264) 4.516 6.902 ( 4.161 -2.221 -2.739) 5.454 7.103 ( -1.811 -0.242 -2.975) 3.491 7.301 ( -1.303 -6.900 -4.751) 8.478 7.431 ( -2.016 -0.482 -4.957) 5.373 7.603 ( -0.374 0.596 6.630) 6.668 7.770 ( -1.552 1.896 0.335) 2.473 7.799 ( 5.155 -2.624 -3.551) 6.787 7.928 ( 0.108 3.357 -2.975) 4.487 7.959 ( 3.677 7.952 -8.233) 12.023 8.117 ( 0.711 6.209 -2.984) 6.925 8.221 ( -4.543 1.736 -0.111) 4.865 8.319 ( 1.047 4.062 3.442) 5.426 8.412 ( -4.350 3.610 -3.272) 6.531 8.521 ( 7.797 8.129 -2.531) 11.544 8.663 ( 1.891 4.217 -2.387) 5.201 8.773 ( -5.895 -3.850 1.260) 7.153 8.999 ( 1.832 -0.694 4.985) 5.356 9.129 ( -2.481 -2.832 -2.134) 4.328 9.132 ( 1.753 -6.382 5.987) 8.924 9.326 ( 0.351 -3.790 -1.449) 4.072 9.560 ( -0.374 -4.127 -1.447) 4.389 9.783 ( -1.854 -1.165 8.480) 8.759 9.906 ( 1.107 -1.905 -4.039) 4.601 9.943 ( 1.554 1.193 4.388) 4.805 10.146 ( -2.134 -3.290 -4.750) 6.159 10.337 ( -2.636 -2.825 2.814) 4.780 10.406 ( -1.072 -1.314 -0.284) 1.720 10.559 ( 0.930 -7.280 4.497) 8.607 10.648 ( -1.990 -2.432 4.590) 5.563 10.882 ( -1.712 0.445 -1.224) 2.151 11.179 ( -8.736 -11.536 -4.677) 15.207 11.455 ( 6.461 8.030 -3.682) 10.944 11.686 ( 0.984 -3.007 -11.189) 11.627 11.808 ( -2.059 -0.803 -8.332) 8.620 12.009 ( 1.223 2.632 -2.429) 3.784 12.175 ( 3.496 -3.943 -3.064) 6.096 12.392 ( 4.287 0.118 0.205) 4.294 12.485 ( -2.212 2.481 1.802) 3.781 12.665 ( 0.253 -5.646 1.521) 5.853 12.820 ( -2.037 5.698 4.100) 7.310 12.973 ( 4.439 -0.857 1.997) 4.942 13.086 ( -2.573 1.783 -0.577) 3.183 13.429 ( -0.859 0.824 1.409) 1.844 14.552 ( 7.182 5.606 -14.235) 16.901 14.706 ( 5.451 3.801 -7.435) 9.972 14.984 ( -3.572 0.244 6.951) 7.819 15.882 ( -3.879 -6.253 6.861) 10.061 16.956 ( 2.314 4.400 2.861) 5.736 17.514 ( -0.543 -2.423 -5.491) 6.026 18.513 ( -2.577 -2.975 3.844) 5.502 18.993 ( 1.229 -2.360 6.099) 6.654 19.183 ( -6.414 -4.434 -8.564) 11.582 19.462 ( 3.429 2.131 6.410) 7.575 20.452 ( 11.329 -8.611 9.417) 17.064 21.084 ( -11.560 8.024 3.428) 14.483 21.432 ( 2.092 3.142 -2.258) 4.399 21.601 ( 5.030 1.539 -3.761) 6.467 22.005 ( -5.130 1.470 -4.476) 6.965 22.527 ( 1.765 1.798 -7.921) 8.312 ======================= Grid point 80 (39/97) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -19.994 4.277 13.642) 24.580 1.902 ( -13.363 6.271 29.782) 33.240 1.976 ( -8.338 2.169 5.744) 10.355 2.690 ( -24.827 19.257 19.018) 36.728 2.890 ( -3.099 -14.315 3.187) 14.990 3.152 ( 6.741 -0.472 7.989) 10.464 3.190 ( -6.328 -3.101 4.369) 8.291 3.259 ( 5.667 -3.315 12.252) 13.900 3.559 ( 3.223 4.693 2.240) 6.118 3.651 ( -6.501 7.979 -2.292) 10.544 3.727 ( -0.447 1.718 -0.115) 1.779 3.825 ( -2.249 4.835 -2.144) 5.747 3.965 ( 2.573 3.601 -3.751) 5.802 4.081 ( 6.627 2.535 1.694) 7.295 4.164 ( 2.983 -1.227 -2.182) 3.894 4.359 ( 2.521 2.941 -2.786) 4.772 4.428 ( 9.204 8.329 -2.435) 12.650 4.628 ( 4.296 -7.894 -7.425) 11.658 4.839 ( 3.909 -3.978 0.551) 5.604 5.068 ( 0.263 -4.309 -0.814) 4.393 5.171 ( 1.693 -2.449 -0.874) 3.103 5.207 ( -0.606 -7.974 -5.497) 9.704 5.309 ( 0.242 -3.569 3.027) 4.686 5.448 ( 4.582 1.379 0.145) 4.788 5.647 ( 1.816 -6.546 -1.618) 6.983 5.711 ( 4.805 0.230 0.784) 4.874 5.748 ( -6.561 -0.491 -0.628) 6.609 5.945 ( 3.152 3.248 -11.509) 12.367 5.990 ( 6.124 -8.516 0.641) 10.509 6.153 ( 2.000 1.476 0.275) 2.501 6.323 ( -1.166 -1.146 -8.313) 8.473 6.444 ( -1.207 -2.222 -7.397) 7.817 6.504 ( 2.457 1.085 7.338) 7.814 6.596 ( -2.392 6.166 -0.542) 6.636 6.722 ( -5.340 -2.465 -0.795) 5.935 6.791 ( 2.504 3.889 3.440) 5.764 6.925 ( 6.750 0.643 -2.749) 7.316 6.990 ( 2.029 -0.730 -0.071) 2.157 7.012 ( -3.845 2.841 -4.336) 6.454 7.301 ( -7.030 -5.130 -2.318) 9.007 7.426 ( 5.046 -1.900 -7.699) 9.400 7.476 ( -9.619 5.534 -1.168) 11.158 7.734 ( 4.490 0.480 4.722) 6.534 7.843 ( 0.367 3.586 -3.368) 4.933 7.882 ( 4.088 4.771 -5.499) 8.349 8.011 ( 2.180 1.130 -7.090) 7.503 8.066 ( 4.814 -5.137 3.686) 7.947 8.148 ( -3.463 2.824 -3.466) 5.655 8.294 ( 2.298 4.517 -0.578) 5.101 8.321 ( 1.674 4.685 6.164) 7.921 8.524 ( 8.997 9.430 -1.095) 13.079 8.593 ( -4.813 -1.044 -3.255) 5.903 8.772 ( -2.602 -2.392 3.027) 4.653 9.025 ( -1.249 2.861 5.302) 6.153 9.107 ( -4.419 -1.784 -1.398) 4.967 9.250 ( -1.552 -6.321 3.197) 7.252 9.361 ( 0.300 -3.807 -0.758) 3.893 9.598 ( -1.255 -4.233 -1.406) 4.634 9.799 ( -1.571 1.568 3.695) 4.310 9.898 ( -0.758 -1.057 -2.545) 2.858 9.982 ( -0.874 -0.124 4.585) 4.669 10.082 ( -2.353 -1.439 -4.761) 5.502 10.299 ( -4.575 -1.467 0.608) 4.843 10.399 ( -1.057 2.035 -0.391) 2.326 10.631 ( -0.110 0.757 4.147) 4.217 10.797 ( 5.502 -8.874 6.398) 12.245 10.862 ( -1.098 -1.762 -1.655) 2.655 11.137 ( -17.038 -15.659 -2.841) 23.315 11.386 ( 4.351 10.851 -7.080) 13.668 11.700 ( 0.597 -2.579 -5.730) 6.312 11.791 ( 4.129 -1.401 -9.756) 10.686 11.985 ( 0.643 1.080 -3.828) 4.029 12.238 ( 2.368 -2.308 -3.853) 5.077 12.402 ( 1.354 3.111 -3.020) 4.542 12.498 ( 7.109 3.663 0.658) 8.024 12.708 ( -6.812 2.927 3.273) 8.105 12.762 ( 0.490 -4.518 4.299) 6.255 12.957 ( -5.557 0.537 0.860) 5.649 13.110 ( 6.358 0.709 -1.752) 6.633 13.434 ( 0.698 -1.256 2.161) 2.595 14.507 ( 1.712 1.871 -10.443) 10.747 14.679 ( 5.030 5.631 -9.339) 12.010 14.954 ( -2.418 2.803 6.909) 7.838 15.939 ( -6.218 -8.763 4.118) 11.507 16.902 ( -4.229 4.047 4.376) 7.308 17.398 ( -4.038 10.493 -11.005) 15.733 18.520 ( -4.280 -2.494 5.057) 7.079 18.940 ( -9.277 -0.555 -5.610) 10.856 19.210 ( 2.729 -3.128 6.380) 7.612 19.470 ( 3.421 6.908 2.514) 8.108 20.726 ( -14.267 3.261 -11.222) 18.442 20.869 ( 7.413 -10.842 17.182) 21.627 21.443 ( 4.591 4.527 1.049) 6.533 21.667 ( 11.639 3.233 3.318) 12.527 21.912 ( -3.801 -1.106 -7.479) 8.462 22.493 ( 1.678 1.057 -5.945) 6.267 ======================= Grid point 81 (40/97) ======================= q-point: (-0.17 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -18.543 2.285 22.200) 29.016 1.537 ( -22.518 23.610 21.475) 39.060 2.006 ( -10.932 -7.268 3.220) 13.517 2.305 ( -15.109 8.079 43.727) 46.964 2.941 ( -6.832 -1.831 -0.489) 7.090 3.166 ( -6.556 -3.245 6.252) 9.623 3.261 ( 1.760 -3.491 -0.179) 3.914 3.392 ( 3.469 -0.378 2.794) 4.470 3.525 ( 1.949 -1.105 7.764) 8.081 3.624 ( 8.820 6.513 5.596) 12.309 3.674 ( -2.378 1.423 -1.828) 3.320 3.836 ( 4.576 -1.342 3.324) 5.813 3.880 ( 0.801 8.334 -5.034) 9.770 4.187 ( 6.069 -2.277 -3.922) 7.576 4.218 ( -0.604 -2.544 0.962) 2.786 4.351 ( 1.636 1.556 -2.434) 3.320 4.418 ( 6.037 7.636 -2.199) 9.980 4.719 ( 1.813 -5.785 -12.303) 13.716 4.936 ( 4.503 -1.758 -1.913) 5.199 5.051 ( -6.428 -4.025 0.099) 7.585 5.146 ( -2.548 1.929 -2.110) 3.830 5.236 ( 1.659 -0.022 -7.924) 8.096 5.455 ( 0.706 -11.933 0.814) 11.982 5.571 ( 6.908 -2.136 6.242) 9.552 5.628 ( -3.836 3.055 4.579) 6.709 5.780 ( 5.538 -4.595 -2.961) 7.782 5.826 ( 11.064 1.560 -5.944) 12.656 5.928 ( 3.314 -2.839 -3.978) 5.905 6.113 ( -1.062 3.975 0.851) 4.202 6.228 ( 1.507 -12.188 -1.946) 12.434 6.293 ( 1.904 -2.217 -8.951) 9.416 6.399 ( -6.289 -4.866 -1.607) 8.112 6.478 ( 0.533 5.417 -3.978) 6.742 6.586 ( 3.283 3.971 5.209) 7.327 6.656 ( -6.080 3.193 3.233) 7.590 6.744 ( -6.371 -0.749 -3.155) 7.149 6.799 ( -0.553 4.402 0.449) 4.460 6.999 ( 3.807 5.725 0.851) 6.928 7.076 ( 3.976 -3.140 -3.367) 6.083 7.250 ( -0.239 5.107 -2.125) 5.537 7.358 ( -0.410 -2.359 1.389) 2.768 7.488 ( 3.137 -2.663 -8.942) 9.843 7.754 ( -1.237 2.262 0.995) 2.763 7.858 ( 5.377 -1.279 -1.088) 5.633 7.888 ( 1.603 0.849 1.705) 2.490 7.999 ( 4.026 1.335 -5.399) 6.866 8.029 ( -0.369 1.871 -7.526) 7.763 8.215 ( 1.062 -5.406 0.349) 5.520 8.304 ( 2.668 3.946 6.485) 8.046 8.373 ( 7.352 1.848 1.569) 7.742 8.543 ( -3.335 -2.337 -0.184) 4.076 8.567 ( 9.616 5.222 2.268) 11.175 8.751 ( -5.150 0.494 -0.099) 5.174 8.889 ( -7.905 6.189 1.058) 10.095 9.050 ( -7.363 -1.483 4.747) 8.886 9.287 ( -3.711 -5.715 -1.884) 7.070 9.382 ( -2.963 0.648 -0.796) 3.135 9.613 ( -1.031 -2.977 1.758) 3.608 9.736 ( -0.564 3.616 -2.597) 4.488 9.912 ( -1.033 -1.566 2.830) 3.395 9.948 ( -0.246 0.303 -8.567) 8.576 10.096 ( -1.082 -2.245 -2.017) 3.206 10.286 ( -2.453 -1.216 0.786) 2.848 10.341 ( 0.189 1.350 0.782) 1.571 10.655 ( 2.023 -0.640 3.984) 4.514 10.850 ( -3.441 -1.358 -3.960) 5.419 10.894 ( -3.402 -0.594 -0.180) 3.458 11.167 ( -6.698 -19.477 4.258) 21.032 11.252 ( 1.731 10.651 -5.568) 12.142 11.614 ( -5.256 11.966 3.082) 13.428 11.859 ( 6.240 -4.959 -12.793) 15.073 11.955 ( 4.660 1.898 -12.835) 13.786 12.266 ( 0.658 -1.654 -4.292) 4.646 12.379 ( 2.661 2.661 -1.844) 4.191 12.519 ( -0.138 3.770 -0.574) 3.816 12.633 ( -0.536 -1.434 2.225) 2.700 12.787 ( -1.398 2.293 0.051) 2.686 12.944 ( -0.289 -5.111 2.460) 5.680 13.136 ( 1.209 2.620 -2.147) 3.597 13.523 ( 3.171 -4.453 3.702) 6.602 14.421 ( -8.465 -1.370 -2.611) 8.964 14.637 ( 7.332 5.542 -11.004) 14.338 14.926 ( -1.287 3.082 8.557) 9.186 15.903 ( -12.240 -4.030 -1.363) 12.958 16.788 ( -10.600 0.004 4.659) 11.578 17.066 ( -0.846 21.459 2.033) 21.571 18.489 ( -5.787 -0.472 3.796) 6.937 18.812 ( -4.699 -0.375 0.792) 4.780 19.279 ( -6.010 -1.969 10.916) 12.616 19.504 ( 12.336 4.946 1.359) 13.360 20.326 ( -17.658 4.080 -17.381) 25.111 21.182 ( 5.276 -7.644 6.527) 11.352 21.424 ( -1.044 2.420 0.164) 2.641 21.786 ( -6.107 -0.638 -3.697) 7.168 22.023 ( 25.156 -2.248 6.362) 26.045 22.497 ( 2.214 -0.718 -3.373) 4.098 ======================= Grid point 83 (41/97) ======================= q-point: ( 0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 0.166 0.000 5.049) 5.052 1.729 ( 16.136 0.000 20.323) 25.950 2.291 ( 31.136 0.000 13.754) 34.039 2.649 ( -4.201 -0.000 0.142) 4.203 2.742 ( -9.883 -0.000 29.368) 30.986 2.950 ( -10.327 -0.000 1.225) 10.400 2.994 ( -7.954 -0.000 13.716) 15.855 3.273 ( -9.360 -0.000 -0.583) 9.378 3.696 ( 4.770 0.000 -5.659) 7.401 3.729 ( 2.938 0.000 0.553) 2.989 3.809 ( 2.050 0.000 7.120) 7.409 3.840 ( -6.996 -0.000 -0.359) 7.005 4.048 ( 7.804 0.000 0.190) 7.807 4.161 ( 8.657 0.000 -0.206) 8.660 4.171 ( -6.158 -0.000 0.057) 6.158 4.210 ( -0.984 -0.000 -3.479) 3.615 4.355 ( 3.227 0.000 -4.977) 5.931 4.712 ( 1.042 0.000 -10.615) 10.667 4.865 ( -2.343 -0.000 -0.548) 2.407 5.057 ( -7.332 -0.000 -0.151) 7.333 5.085 ( 0.453 0.000 -6.268) 6.284 5.177 ( 5.257 0.000 3.466) 6.297 5.431 ( -9.519 -0.000 7.516) 12.128 5.563 ( -10.188 -0.000 -0.857) 10.224 5.597 ( 0.661 0.000 -3.164) 3.232 5.720 ( -3.675 -0.000 3.461) 5.048 5.812 ( -4.060 -0.000 -3.383) 5.285 6.028 ( -6.109 -0.000 -4.381) 7.518 6.155 ( 5.417 0.000 -0.570) 5.447 6.276 ( -5.774 -0.000 -2.107) 6.147 6.282 ( -0.751 -0.000 7.813) 7.849 6.371 ( 3.987 0.000 -5.768) 7.012 6.482 ( 6.808 0.000 -13.706) 15.304 6.650 ( 9.310 0.000 -1.359) 9.409 6.658 ( -6.341 -0.000 -1.430) 6.500 6.729 ( 3.279 0.000 6.388) 7.180 6.834 ( 1.469 0.000 0.900) 1.723 6.854 ( 1.302 0.000 2.084) 2.457 7.195 ( 1.571 0.000 -7.002) 7.177 7.246 ( -0.040 -0.000 -6.334) 6.334 7.291 ( -2.961 -0.000 -6.992) 7.593 7.498 ( 5.935 0.000 0.976) 6.015 7.664 ( -2.302 -0.000 1.434) 2.713 7.990 ( -3.210 -0.000 4.717) 5.705 8.059 ( -1.136 -0.000 -2.841) 3.060 8.093 ( 3.780 0.000 -5.334) 6.537 8.227 ( 4.460 0.000 -8.723) 9.797 8.298 ( -0.580 -0.000 4.913) 4.948 8.333 ( 3.513 0.000 7.026) 7.855 8.523 ( -0.269 -0.000 -1.211) 1.240 8.650 ( 8.195 0.000 -2.678) 8.621 8.725 ( -0.850 -0.000 3.109) 3.223 8.808 ( 3.422 0.000 -1.008) 3.568 8.876 ( 0.746 0.000 -0.193) 0.770 8.943 ( -0.524 -0.000 6.595) 6.616 9.161 ( -5.600 -0.000 -10.071) 11.523 9.173 ( 4.167 0.000 1.560) 4.450 9.466 ( -2.326 -0.000 3.315) 4.050 9.753 ( -2.562 -0.000 7.581) 8.002 9.918 ( 1.782 0.000 -1.195) 2.145 9.920 ( 2.056 0.000 -0.796) 2.205 9.922 ( 4.926 0.000 -7.899) 9.309 10.208 ( -0.234 -0.000 2.076) 2.089 10.323 ( -3.677 -0.000 1.211) 3.871 10.490 ( -5.900 -0.000 -3.428) 6.823 10.608 ( -1.621 -0.000 3.122) 3.518 10.986 ( -6.692 -0.000 -2.174) 7.036 11.065 ( -0.691 -0.000 -4.844) 4.893 11.621 ( 4.446 0.000 -1.352) 4.646 11.633 ( 12.249 0.000 -2.893) 12.586 11.908 ( -8.246 -0.000 -13.764) 16.046 11.927 ( 6.247 0.000 -8.320) 10.404 12.094 ( 0.617 0.000 -1.172) 1.325 12.364 ( -2.455 -0.000 5.831) 6.327 12.470 ( 1.933 0.000 -3.790) 4.255 12.643 ( -3.826 -0.000 -0.743) 3.897 12.816 ( 5.294 0.000 1.329) 5.458 13.057 ( 3.119 0.000 -4.117) 5.165 13.073 ( -3.583 -0.000 7.510) 8.321 13.475 ( -3.452 -0.000 4.890) 5.986 14.576 ( -1.516 -0.000 -8.730) 8.861 14.824 ( 19.391 0.000 -16.612) 25.534 14.952 ( -4.072 -0.000 9.823) 10.633 15.802 ( 1.149 0.000 4.521) 4.664 16.984 ( 17.337 0.000 -3.849) 17.760 17.251 ( -3.812 -0.000 17.489) 17.900 18.405 ( 2.104 0.000 3.428) 4.022 18.951 ( 3.217 0.000 4.007) 5.138 19.155 ( -13.352 -0.000 -9.610) 16.450 19.345 ( 3.003 0.000 11.515) 11.900 20.185 ( 11.873 0.000 -6.236) 13.411 21.305 ( -2.262 -0.000 3.503) 4.170 21.501 ( -6.687 -0.000 3.484) 7.540 21.534 ( 6.885 0.000 -2.617) 7.365 22.258 ( -11.604 -0.000 -3.400) 12.092 22.582 ( 4.409 0.000 -6.328) 7.713 ======================= Grid point 84 (42/97) ======================= q-point: ( 0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 1.940 1.962 6.745) 7.288 2.132 ( 12.779 -9.743 13.339) 20.885 2.463 ( -11.483 10.337 10.953) 18.939 2.523 ( -5.810 10.456 3.498) 12.463 2.777 ( -6.443 -4.888 9.622) 12.569 2.944 ( 9.034 -3.312 23.768) 25.642 2.998 ( -3.916 -9.202 2.713) 10.361 3.207 ( -2.355 -0.252 3.361) 4.111 3.704 ( -4.618 -1.691 -5.417) 7.316 3.724 ( -1.647 2.320 1.255) 3.110 3.791 ( 3.236 -1.826 -0.819) 3.804 4.031 ( 6.884 1.118 3.218) 7.681 4.081 ( 5.984 1.516 4.511) 7.646 4.157 ( 0.162 1.011 0.044) 1.025 4.183 ( 7.896 -2.335 -6.178) 10.294 4.313 ( 5.690 -3.258 -0.097) 6.557 4.374 ( 3.053 0.152 -4.296) 5.272 4.636 ( 0.680 6.393 -6.041) 8.822 4.825 ( -8.016 1.172 6.354) 10.295 4.948 ( -1.644 1.345 -3.201) 3.842 5.088 ( 1.136 -2.181 -3.560) 4.326 5.171 ( -3.203 12.111 2.016) 12.689 5.259 ( -5.127 -0.754 2.911) 5.944 5.453 ( -6.757 -3.019 2.090) 7.690 5.566 ( -2.434 2.537 -1.919) 4.005 5.674 ( -4.575 -3.704 -2.328) 6.330 5.783 ( 0.155 -0.369 0.040) 0.402 5.826 ( -7.412 3.807 -2.582) 8.723 6.172 ( -4.983 -3.058 -4.830) 7.583 6.226 ( 1.977 1.271 -2.323) 3.305 6.352 ( 0.951 -1.339 -0.394) 1.689 6.387 ( -0.493 1.210 -3.509) 3.744 6.485 ( 6.654 0.605 -9.818) 11.876 6.598 ( -2.297 -4.085 -3.464) 5.828 6.742 ( 1.459 1.061 3.624) 4.048 6.833 ( 2.357 1.798 2.407) 3.819 6.864 ( 4.138 0.109 5.306) 6.730 6.896 ( 4.746 -0.037 -2.602) 5.413 7.149 ( 2.115 -1.104 -8.558) 8.884 7.168 ( 0.197 2.718 -6.825) 7.348 7.343 ( -1.201 -5.965 -5.113) 7.948 7.595 ( 3.562 -2.519 -0.136) 4.365 7.651 ( 0.048 -0.956 5.341) 5.426 7.923 ( -3.228 3.581 2.980) 5.668 8.010 ( -1.015 3.261 -1.655) 3.795 8.109 ( 2.342 2.142 -4.974) 5.901 8.221 ( 1.209 0.641 -8.389) 8.500 8.254 ( -5.454 1.611 -1.692) 5.934 8.391 ( 0.464 1.126 4.967) 5.114 8.465 ( -3.470 1.334 -3.790) 5.309 8.586 ( -4.889 -1.495 -7.691) 9.235 8.781 ( 5.971 3.305 4.188) 8.007 8.832 ( 2.930 6.312 2.988) 7.573 8.965 ( 2.297 -1.579 5.084) 5.798 9.011 ( 4.912 -2.710 3.571) 6.650 9.097 ( -0.267 0.028 -1.472) 1.497 9.233 ( 1.327 -2.955 -2.420) 4.044 9.457 ( -1.972 -2.925 -0.596) 3.578 9.757 ( -3.071 -0.638 9.064) 9.591 9.897 ( 2.680 1.958 -2.031) 3.890 9.974 ( 2.828 0.543 -0.566) 2.935 10.008 ( 1.009 -5.720 -1.688) 6.049 10.237 ( -1.174 -4.953 4.781) 6.983 10.293 ( -3.880 -4.006 0.704) 5.621 10.454 ( 2.346 -0.451 -3.850) 4.531 10.608 ( -0.847 -0.530 2.826) 2.997 10.877 ( -5.914 -1.234 -0.856) 6.102 11.038 ( -1.983 -0.550 -4.611) 5.049 11.629 ( 2.311 3.384 -5.668) 6.995 11.691 ( 0.478 2.386 -6.788) 7.211 11.771 ( 0.735 -0.333 -6.898) 6.945 12.035 ( 5.580 -4.345 -2.416) 7.473 12.080 ( -0.274 0.694 -2.164) 2.289 12.378 ( 1.130 -0.041 4.956) 5.084 12.491 ( -0.060 -2.673 -2.463) 3.635 12.576 ( -3.130 0.115 -0.142) 3.135 12.910 ( 4.336 0.109 1.548) 4.605 13.014 ( -2.191 3.703 5.107) 6.678 13.101 ( 1.957 -0.443 -2.566) 3.258 13.451 ( -1.873 0.591 2.347) 3.060 14.511 ( -4.329 -2.223 -5.036) 7.003 14.936 ( 6.707 3.451 -4.258) 8.661 14.961 ( 5.690 2.047 -6.995) 9.247 15.858 ( 2.709 1.329 8.822) 9.324 17.110 ( 5.035 8.135 3.624) 10.230 17.350 ( 2.162 -9.239 0.965) 9.538 18.459 ( 0.707 -1.186 1.465) 2.013 18.963 ( -0.952 0.702 1.577) 1.972 19.048 ( -2.457 -4.875 -3.310) 6.384 19.475 ( 4.602 -0.555 12.656) 13.478 20.323 ( 9.107 -1.964 -2.470) 9.638 21.218 ( -12.839 2.443 6.106) 14.425 21.469 ( 2.994 0.331 -0.240) 3.022 21.613 ( 6.324 -0.167 -5.444) 8.346 22.051 ( -10.724 1.364 -4.438) 11.686 22.590 ( 3.366 2.131 -7.151) 8.186 ======================= Grid point 85 (43/97) ======================= q-point: (-0.50 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -1.003 3.132 5.757) 6.630 2.140 ( -11.596 14.090 11.209) 21.416 2.220 ( -10.620 14.372 18.265) 25.553 2.509 ( 2.618 -12.684 8.237) 15.349 2.897 ( 1.550 -5.745 10.858) 12.382 3.057 ( -2.800 -2.210 1.705) 3.953 3.183 ( 2.506 -1.554 12.830) 13.164 3.248 ( 0.295 -2.169 12.449) 12.640 3.615 ( -9.641 -6.128 -1.154) 11.482 3.690 ( 1.345 4.447 -1.532) 4.892 3.840 ( 0.151 1.029 -0.832) 1.332 3.950 ( -2.444 3.753 -0.944) 4.577 4.038 ( -1.440 5.143 -0.236) 5.346 4.199 ( 2.271 8.295 -5.058) 9.978 4.309 ( 9.121 6.334 -2.660) 11.419 4.348 ( -2.423 -3.114 -3.714) 5.419 4.463 ( -3.445 0.139 -1.208) 3.653 4.527 ( 5.663 -0.037 1.719) 5.918 4.808 ( 9.673 -0.056 1.656) 9.814 4.954 ( 3.327 -2.221 -1.256) 4.193 5.055 ( -5.172 -0.796 -1.324) 5.398 5.139 ( 5.255 -0.465 -2.583) 5.874 5.258 ( -1.100 -2.657 1.828) 3.407 5.429 ( -1.923 -4.790 -2.912) 5.926 5.512 ( -0.860 1.067 2.189) 2.583 5.633 ( -3.119 -2.941 -0.114) 4.288 5.745 ( -0.268 -3.535 -1.936) 4.039 5.835 ( 1.671 -2.028 1.077) 2.840 6.070 ( -0.308 3.942 -10.739) 11.443 6.229 ( -3.901 -4.649 -0.730) 6.112 6.266 ( -1.299 6.383 -6.778) 9.401 6.384 ( -0.516 -2.284 -6.714) 7.111 6.538 ( 1.086 1.358 -1.814) 2.513 6.595 ( -1.167 -6.311 -3.137) 7.143 6.702 ( -3.603 2.414 3.314) 5.458 6.866 ( 0.732 0.370 1.712) 1.898 6.923 ( 4.006 -1.393 -0.054) 4.242 7.001 ( 6.663 1.109 1.811) 6.994 7.105 ( -2.787 0.795 -8.029) 8.536 7.187 ( 5.529 0.737 -3.009) 6.338 7.325 ( -2.615 -4.295 -5.606) 7.530 7.567 ( -5.036 1.861 0.862) 5.437 7.780 ( 1.005 -2.230 2.303) 3.360 7.875 ( 5.862 1.466 0.855) 6.103 7.947 ( -1.062 2.073 -3.133) 3.904 8.034 ( -0.198 5.634 -8.294) 10.028 8.137 ( -2.619 2.946 -1.869) 4.362 8.174 ( -1.494 -0.358 -7.742) 7.893 8.388 ( 0.400 2.531 1.401) 2.921 8.393 ( -2.401 0.707 3.459) 4.270 8.528 ( -2.825 -3.009 -6.152) 7.408 8.790 ( 3.031 7.144 4.994) 9.229 8.852 ( 7.568 8.665 3.095) 11.913 8.993 ( -4.479 -3.246 4.718) 7.270 9.084 ( -1.025 -0.267 -0.543) 1.191 9.153 ( 4.379 -1.333 5.029) 6.801 9.255 ( -1.102 -3.830 -4.561) 6.057 9.484 ( -0.242 -4.466 -1.211) 4.633 9.776 ( -2.893 -2.351 8.952) 9.697 9.906 ( 1.284 1.632 -1.765) 2.726 9.980 ( -1.022 0.508 3.488) 3.670 10.034 ( -1.777 -2.190 -3.678) 4.635 10.280 ( -1.254 -0.785 1.494) 2.102 10.404 ( 0.941 -11.658 7.149) 13.708 10.481 ( 2.069 -0.467 -3.440) 4.042 10.639 ( 2.172 -0.344 3.548) 4.174 10.840 ( -3.575 -3.370 0.367) 4.927 10.956 ( -5.641 0.122 -3.359) 6.567 11.555 ( 1.404 1.603 -9.319) 9.560 11.705 ( 7.093 4.420 -2.762) 8.802 11.762 ( 3.159 -0.575 -8.577) 9.159 12.018 ( -2.748 1.760 -0.090) 3.265 12.157 ( 2.796 -3.999 -2.264) 5.380 12.461 ( 5.453 -0.148 -3.970) 6.747 12.468 ( -3.540 -1.853 7.018) 8.076 12.597 ( -0.107 -5.687 0.250) 5.694 12.881 ( -3.710 6.505 2.733) 7.972 12.974 ( -3.005 0.428 1.286) 3.297 13.139 ( 6.346 1.469 -3.482) 7.386 13.431 ( -0.791 0.545 0.843) 1.278 14.444 ( -6.846 -3.096 -2.064) 7.792 14.946 ( 11.146 9.778 -18.137) 23.427 14.958 ( -2.099 -1.192 6.321) 6.766 15.929 ( 4.258 4.360 10.295) 11.963 17.023 ( -6.901 5.699 6.001) 10.776 17.481 ( 6.703 -2.334 -8.936) 11.411 18.474 ( -0.668 -0.989 2.088) 2.405 18.933 ( -4.475 0.152 -2.491) 5.124 19.101 ( 1.468 -4.418 3.575) 5.870 19.597 ( 4.376 2.108 9.167) 10.374 20.521 ( 8.083 -8.218 4.306) 12.305 20.940 ( -18.206 5.224 0.600) 18.950 21.536 ( 5.861 2.511 -0.330) 6.385 21.686 ( 6.772 -1.116 -3.428) 7.672 21.885 ( -6.485 -0.752 -5.968) 8.845 22.560 ( 2.745 3.545 -6.972) 8.289 ======================= Grid point 86 (44/97) ======================= q-point: (-0.33 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -3.452 12.956 6.715) 14.996 1.911 ( -8.832 5.971 9.452) 14.247 2.048 ( -7.032 14.356 31.152) 35.014 2.701 ( -5.395 -6.523 6.536) 10.694 2.790 ( -8.394 16.391 17.322) 25.282 3.067 ( -7.777 -2.995 5.789) 10.147 3.251 ( 3.726 -4.496 6.347) 8.625 3.344 ( 0.222 1.549 8.112) 8.261 3.534 ( -5.777 -0.241 2.492) 6.297 3.653 ( -3.876 -3.061 -1.194) 5.081 3.805 ( 4.206 5.088 0.767) 6.646 3.834 ( -1.768 3.994 -1.854) 4.745 4.064 ( 5.806 1.969 1.893) 6.416 4.144 ( 2.776 0.603 -5.015) 5.763 4.265 ( 3.562 7.811 -5.460) 10.174 4.349 ( 0.512 -1.752 -5.798) 6.078 4.454 ( -0.255 -9.848 -5.502) 11.284 4.628 ( 2.474 2.240 -2.825) 4.373 4.910 ( 5.518 1.664 -0.268) 5.770 4.951 ( -7.366 -2.744 1.201) 7.952 5.084 ( 0.941 -9.440 -2.468) 9.803 5.194 ( 1.901 0.049 -1.500) 2.422 5.287 ( 1.007 0.246 -0.595) 1.195 5.451 ( -4.240 -7.352 -0.678) 8.514 5.589 ( 6.368 -2.242 4.315) 8.012 5.716 ( 7.269 -4.905 -4.614) 9.909 5.779 ( 1.450 2.215 -2.115) 3.389 5.892 ( -3.498 -10.554 -1.638) 11.239 6.010 ( 4.263 2.576 -6.419) 8.124 6.173 ( -1.232 0.912 -3.085) 3.445 6.229 ( 0.104 -2.208 -2.183) 3.107 6.292 ( -2.155 -1.127 -10.164) 10.451 6.564 ( -3.865 -0.778 -0.604) 3.989 6.618 ( -2.620 -0.184 2.935) 3.939 6.651 ( 0.477 -3.532 -1.268) 3.783 6.854 ( -9.734 5.543 -3.607) 11.768 6.880 ( 1.081 0.596 -0.023) 1.235 7.047 ( 5.172 0.270 -3.199) 6.088 7.115 ( 7.282 1.143 3.764) 8.277 7.252 ( 5.327 1.398 1.697) 5.763 7.356 ( 1.347 -5.030 -6.485) 8.317 7.454 ( -2.614 4.636 -2.437) 5.854 7.804 ( 1.242 -0.240 -1.679) 2.102 7.840 ( -4.766 2.395 -3.822) 6.562 7.910 ( -2.536 0.816 -2.585) 3.712 8.001 ( 2.701 -1.287 -4.160) 5.124 8.104 ( 3.257 3.269 -5.492) 7.173 8.129 ( 1.593 -0.103 -0.036) 1.597 8.391 ( 1.879 2.091 3.374) 4.392 8.411 ( 2.062 -1.057 3.996) 4.619 8.502 ( -0.426 -1.351 -3.695) 3.957 8.775 ( 3.219 6.904 5.263) 9.259 8.842 ( 5.310 9.057 2.556) 10.805 8.942 ( -11.190 -3.064 0.174) 11.604 9.058 ( -2.047 1.670 3.056) 4.039 9.160 ( -3.165 -2.113 -4.039) 5.549 9.334 ( 3.441 -3.250 2.599) 5.399 9.531 ( 0.010 -3.317 -0.125) 3.319 9.826 ( -0.765 -1.732 7.953) 8.175 9.860 ( -1.905 2.382 0.293) 3.064 9.952 ( -2.689 0.346 -3.047) 4.078 10.035 ( 0.593 -1.548 -2.013) 2.607 10.277 ( 0.747 0.673 1.841) 2.098 10.434 ( 0.482 5.146 -2.498) 5.740 10.630 ( -4.477 -16.762 4.975) 18.049 10.682 ( 0.555 2.048 3.923) 4.460 10.825 ( -2.239 -2.204 -0.762) 3.232 10.925 ( 4.318 -0.399 3.030) 5.290 11.516 ( 4.389 6.379 -9.022) 11.889 11.726 ( 4.593 1.331 -4.621) 6.649 11.804 ( 4.829 0.159 -5.326) 7.191 11.967 ( -0.706 -0.056 -3.372) 3.446 12.209 ( 1.083 -2.847 -5.094) 5.935 12.419 ( -2.555 0.647 1.307) 2.942 12.577 ( 2.982 -2.425 -1.234) 4.037 12.685 ( -0.418 -2.000 1.859) 2.762 12.734 ( -3.009 2.112 2.814) 4.630 12.908 ( -2.827 2.516 -1.207) 3.972 13.181 ( 2.839 1.117 -3.164) 4.395 13.434 ( 0.292 -1.357 1.598) 2.116 14.358 ( -9.125 -2.730 1.244) 9.606 14.867 ( 7.827 10.073 -16.325) 20.718 14.973 ( -1.496 0.004 6.610) 6.777 15.958 ( 2.509 7.658 7.695) 11.143 16.848 ( -10.427 3.954 4.192) 11.913 17.490 ( 5.385 7.941 -9.778) 13.699 18.490 ( -0.867 0.647 5.009) 5.124 18.821 ( -4.744 1.652 -2.792) 5.747 19.194 ( -1.216 -4.366 6.234) 7.707 19.656 ( 5.885 5.129 5.542) 9.573 20.483 ( -17.365 6.520 -11.643) 21.900 20.893 ( 5.348 -12.261 12.970) 18.632 21.520 ( -0.167 4.569 -2.082) 5.024 21.760 ( -3.154 -1.260 -2.318) 4.112 21.913 ( 12.839 -5.877 -2.737) 14.383 22.523 ( 2.631 2.989 -5.433) 6.736 ======================= Grid point 87 (45/97) ======================= q-point: (-0.17 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 9.688 13.332 13.468) 21.284 1.763 ( -11.522 3.610 8.499) 14.766 1.808 ( -4.997 28.558 22.038) 36.416 2.522 ( -6.009 10.093 38.625) 40.371 2.805 ( -6.465 -3.362 6.009) 9.445 3.066 ( -4.013 -4.151 5.400) 7.906 3.231 ( -3.808 2.096 -1.156) 4.497 3.356 ( -7.112 -5.322 1.582) 9.023 3.570 ( 1.287 -1.957 7.888) 8.228 3.623 ( -0.526 -2.201 0.645) 2.353 3.836 ( 6.553 4.240 1.346) 7.920 3.864 ( 3.126 -4.072 1.206) 5.273 4.053 ( 5.776 10.391 -6.794) 13.693 4.133 ( -6.022 -1.892 -0.513) 6.333 4.225 ( 1.408 1.122 -5.118) 5.425 4.350 ( 0.650 -1.054 -6.153) 6.277 4.503 ( -4.642 7.466 -2.287) 9.084 4.587 ( 4.655 -9.882 -10.406) 15.086 4.924 ( -0.865 -3.091 -2.414) 4.016 4.991 ( 4.029 -1.222 0.115) 4.211 5.140 ( -2.442 -0.241 0.386) 2.484 5.242 ( 0.644 -8.534 -1.382) 8.669 5.253 ( -4.424 -1.043 -0.937) 4.641 5.493 ( -2.992 -6.104 0.234) 6.801 5.659 ( -0.917 -3.171 6.063) 6.904 5.833 ( 6.574 -2.836 -1.232) 7.265 5.900 ( -5.369 -6.686 -0.306) 8.580 5.965 ( 10.709 -4.914 -7.537) 13.987 6.013 ( 1.490 0.142 -3.885) 4.163 6.121 ( -0.412 -4.154 -3.440) 5.410 6.286 ( 1.695 -1.526 -5.335) 5.802 6.338 ( 5.276 -2.063 -4.314) 7.121 6.422 ( -4.255 -2.205 -4.304) 6.441 6.556 ( -8.996 1.903 -1.510) 9.318 6.668 ( -0.784 2.347 1.372) 2.830 6.725 ( 2.908 0.773 1.438) 3.335 6.900 ( 2.619 2.990 3.031) 4.998 7.106 ( 0.027 7.470 3.402) 8.209 7.142 ( 3.477 1.624 -2.150) 4.399 7.336 ( 1.894 5.271 -1.484) 5.794 7.361 ( 2.311 -1.138 0.071) 2.577 7.414 ( 2.430 -4.347 -6.522) 8.207 7.701 ( -3.483 -3.272 -4.953) 6.883 7.827 ( -2.296 0.616 1.732) 2.942 7.927 ( 2.230 -5.512 -1.068) 6.041 8.010 ( 3.654 -1.282 -9.832) 10.567 8.086 ( 4.936 3.479 -4.207) 7.360 8.194 ( 3.573 0.158 4.092) 5.435 8.385 ( -1.212 1.833 2.852) 3.600 8.480 ( 1.120 -1.405 0.125) 1.801 8.557 ( 4.908 -0.483 0.674) 4.977 8.715 ( -2.027 7.392 -0.821) 7.708 8.800 ( -6.251 -0.239 5.208) 8.140 8.841 ( 6.137 5.952 1.828) 8.742 9.008 ( -4.171 3.095 7.472) 9.100 9.125 ( -2.791 -3.565 -6.631) 8.029 9.386 ( 0.513 1.746 2.578) 3.155 9.578 ( -0.059 -3.169 -2.249) 3.886 9.765 ( -3.939 4.868 3.361) 7.107 9.886 ( -0.347 -1.934 -0.141) 1.970 9.899 ( -1.015 -0.150 -1.062) 1.477 10.014 ( -1.375 0.086 -6.560) 6.703 10.292 ( 1.142 4.179 -0.635) 4.379 10.381 ( 1.594 1.714 1.030) 2.557 10.640 ( -4.234 0.179 2.472) 4.906 10.711 ( -6.262 -7.318 1.851) 9.808 10.948 ( 12.291 -2.710 2.740) 12.881 11.044 ( 1.653 -4.614 3.509) 6.028 11.398 ( 2.494 11.933 -8.545) 14.887 11.718 ( -0.396 6.977 -0.268) 6.993 11.833 ( 4.810 -1.726 -6.806) 8.511 11.971 ( 5.949 -0.960 -12.907) 14.245 12.208 ( -0.869 -2.271 -8.515) 8.855 12.392 ( -2.765 -0.749 3.687) 4.669 12.538 ( -2.159 5.239 0.149) 5.669 12.641 ( 1.419 0.131 -2.097) 2.535 12.830 ( -0.133 3.706 -1.258) 3.916 12.860 ( -0.381 -8.562 5.350) 10.104 13.163 ( 0.097 1.920 -3.065) 3.618 13.491 ( -0.738 -4.434 2.948) 5.375 14.307 ( -1.273 -3.990 3.623) 5.538 14.764 ( 4.561 7.834 -13.499) 16.260 14.978 ( -1.629 1.591 7.994) 8.312 15.876 ( -2.150 8.917 4.537) 10.234 16.716 ( -2.639 2.280 3.288) 4.793 17.361 ( 3.762 16.232 -0.024) 16.662 18.456 ( -2.730 3.320 3.153) 5.331 18.786 ( 0.269 -1.125 4.020) 4.183 19.235 ( -2.562 -1.750 7.068) 7.719 19.713 ( 2.378 4.223 5.920) 7.650 20.074 ( -10.039 6.633 -18.000) 21.651 21.180 ( 3.813 -10.452 8.261) 13.857 21.436 ( -1.430 3.754 -1.610) 4.327 21.688 ( -4.070 1.047 -2.280) 4.781 22.223 ( 10.330 -11.402 -0.496) 15.393 22.507 ( 2.430 1.573 -4.441) 5.301 ======================= Grid point 90 (46/97) ======================= q-point: ( 0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -0.325 -0.000 4.707) 4.718 2.281 ( 5.609 0.000 8.352) 10.061 2.434 ( -9.371 -0.000 11.336) 14.708 2.658 ( -9.747 -0.000 11.844) 15.339 2.677 ( 6.094 0.000 9.898) 11.623 2.869 ( 3.157 0.000 1.682) 3.576 3.153 ( -6.214 -0.000 5.728) 8.451 3.220 ( 7.911 0.000 22.893) 24.222 3.503 ( -12.553 -0.000 0.393) 12.560 3.757 ( 1.294 0.000 -6.528) 6.655 3.831 ( 3.086 0.000 -0.943) 3.227 3.995 ( -4.526 -0.000 -0.066) 4.527 4.096 ( -1.970 -0.000 -3.462) 3.983 4.238 ( 6.375 0.000 -9.636) 11.554 4.357 ( 8.203 0.000 -3.231) 8.816 4.373 ( 0.538 0.000 -3.170) 3.215 4.428 ( 8.973 0.000 0.624) 8.995 4.731 ( -10.895 -0.000 9.552) 14.490 4.774 ( 12.360 0.000 2.008) 12.522 4.922 ( -0.500 -0.000 0.619) 0.795 5.091 ( 2.024 0.000 -0.407) 2.064 5.147 ( -10.887 -0.000 2.587) 11.190 5.263 ( -1.435 -0.000 0.383) 1.485 5.318 ( -0.131 -0.000 -0.247) 0.279 5.551 ( -2.079 -0.000 -5.498) 5.878 5.566 ( -0.275 -0.000 -0.978) 1.016 5.705 ( -6.944 -0.000 -4.216) 8.124 5.795 ( 0.115 0.000 2.859) 2.861 6.032 ( -2.251 -0.000 -4.374) 4.919 6.218 ( -2.668 -0.000 -2.034) 3.355 6.287 ( -4.388 -0.000 -4.046) 5.968 6.475 ( 6.664 0.000 -9.313) 11.452 6.483 ( -5.276 -0.000 -5.535) 7.647 6.545 ( 6.187 0.000 -5.221) 8.096 6.737 ( -6.307 -0.000 2.206) 6.682 6.837 ( -3.062 -0.000 -0.170) 3.067 6.890 ( 1.479 0.000 -0.855) 1.709 7.021 ( 7.650 0.000 8.139) 11.170 7.113 ( 2.940 0.000 -12.318) 12.664 7.200 ( 1.997 0.000 -3.520) 4.047 7.279 ( -1.512 -0.000 -4.434) 4.685 7.631 ( 4.061 0.000 -2.307) 4.671 7.666 ( 1.472 0.000 4.932) 5.147 7.909 ( -1.663 -0.000 3.751) 4.103 8.033 ( -1.757 -0.000 -1.868) 2.564 8.103 ( -0.760 -0.000 -5.820) 5.870 8.158 ( -3.990 -0.000 -1.617) 4.305 8.176 ( -0.382 -0.000 -13.948) 13.953 8.373 ( -2.901 -0.000 -0.005) 2.901 8.442 ( -0.807 -0.000 -0.647) 1.034 8.473 ( -3.038 -0.000 -2.020) 3.648 8.901 ( 0.552 0.000 5.359) 5.388 8.951 ( -5.254 -0.000 4.488) 6.909 8.970 ( 8.446 0.000 5.429) 10.040 9.115 ( 2.534 0.000 3.023) 3.944 9.143 ( 6.830 0.000 1.638) 7.023 9.180 ( -1.987 -0.000 -6.092) 6.408 9.409 ( -0.212 -0.000 -1.209) 1.227 9.737 ( -5.135 -0.000 9.572) 10.863 9.967 ( 0.484 0.000 2.581) 2.626 9.970 ( 4.727 0.000 -6.619) 8.134 10.000 ( -1.855 -0.000 4.176) 4.569 10.193 ( -0.774 -0.000 5.437) 5.491 10.265 ( 1.277 0.000 2.203) 2.546 10.507 ( 5.937 0.000 -3.657) 6.973 10.634 ( 2.962 0.000 2.870) 4.124 10.782 ( -3.334 -0.000 0.049) 3.334 10.969 ( -5.811 -0.000 -2.391) 6.283 11.614 ( 2.937 0.000 -7.998) 8.521 11.656 ( 3.115 0.000 -9.339) 9.844 11.858 ( 3.680 0.000 0.204) 3.685 12.050 ( -3.690 -0.000 0.522) 3.726 12.075 ( 5.563 0.000 -2.821) 6.238 12.414 ( -1.460 -0.000 7.238) 7.383 12.460 ( 0.495 0.000 -3.166) 3.204 12.535 ( -0.333 -0.000 -2.304) 2.328 12.965 ( 1.409 0.000 0.406) 1.466 12.983 ( -5.925 -0.000 4.000) 7.149 13.164 ( 6.095 0.000 -3.654) 7.107 13.441 ( -1.128 -0.000 0.800) 1.383 14.403 ( -6.331 -0.000 -0.347) 6.341 14.931 ( -2.060 -0.000 6.256) 6.586 15.085 ( 10.552 0.000 -21.118) 23.607 16.006 ( 6.931 0.000 12.718) 14.484 17.132 ( -11.927 -0.000 7.715) 14.205 17.410 ( 14.143 0.000 -8.535) 16.518 18.462 ( 0.968 0.000 -0.757) 1.229 18.941 ( -1.119 -0.000 1.039) 1.528 19.035 ( 1.761 0.000 0.264) 1.781 19.609 ( 3.122 0.000 16.481) 16.775 20.418 ( 7.589 0.000 -0.876) 7.639 21.011 ( -18.516 -0.000 0.783) 18.532 21.566 ( 7.944 0.000 1.137) 8.025 21.661 ( 5.281 0.000 -8.599) 10.091 21.877 ( -9.348 -0.000 -4.579) 10.409 22.617 ( 2.795 0.000 -6.349) 6.937 ======================= Grid point 91 (47/97) ======================= q-point: (-0.50 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -4.024 1.109 3.409) 5.389 2.294 ( -0.562 13.279 11.782) 17.761 2.383 ( -1.606 7.754 10.932) 13.498 2.526 ( 0.123 4.987 17.858) 18.541 2.908 ( 2.983 -8.602 10.739) 14.079 2.995 ( -3.601 -0.899 3.431) 5.054 3.121 ( -0.453 -8.897 2.391) 9.224 3.383 ( -8.593 -5.805 3.128) 10.831 3.407 ( 2.589 2.395 17.629) 17.978 3.688 ( -3.585 1.346 -7.135) 8.097 3.859 ( 0.947 0.590 -0.404) 1.187 3.924 ( -3.201 1.101 -1.589) 3.740 4.071 ( -0.488 -1.200 -0.921) 1.589 4.224 ( -0.586 0.010 -9.957) 9.975 4.303 ( 0.986 4.172 -2.145) 4.794 4.455 ( 1.634 2.875 -7.559) 8.251 4.475 ( -4.184 9.473 3.914) 11.071 4.536 ( -0.621 -2.351 2.829) 3.731 4.888 ( -1.617 -2.174 1.613) 3.153 4.951 ( -1.073 -0.604 3.288) 3.511 5.013 ( -2.178 1.638 -0.273) 2.739 5.138 ( 0.572 -3.135 -1.988) 3.756 5.298 ( 4.359 -1.137 -3.500) 5.705 5.353 ( 2.867 1.665 -1.880) 3.812 5.571 ( 3.211 -0.722 1.169) 3.492 5.602 ( 7.273 -3.289 -4.591) 9.209 5.663 ( 1.255 -3.976 -2.342) 4.782 5.812 ( -3.436 -1.745 1.343) 4.081 6.022 ( 0.620 -1.508 -5.300) 5.546 6.156 ( -4.014 -2.430 0.670) 4.740 6.211 ( -4.554 -2.240 -6.541) 8.279 6.303 ( -3.898 4.201 -5.950) 8.261 6.510 ( 1.468 -1.137 -7.278) 7.511 6.592 ( 1.074 1.324 -1.432) 2.226 6.634 ( -4.820 0.150 -2.237) 5.316 6.813 ( -2.164 -3.941 -2.476) 5.132 6.939 ( 0.745 0.534 5.267) 5.346 7.037 ( -1.423 0.070 -7.144) 7.284 7.155 ( 6.387 1.789 5.459) 8.590 7.231 ( 2.092 -2.120 -3.461) 4.566 7.275 ( 4.699 -1.518 -6.708) 8.330 7.613 ( 3.253 6.449 -1.573) 7.392 7.759 ( 1.287 -3.966 -0.057) 4.170 7.869 ( -7.754 0.581 -2.706) 8.233 7.989 ( 1.260 4.410 -1.505) 4.827 8.038 ( 0.284 1.666 -5.890) 6.128 8.089 ( -0.495 -1.472 -11.864) 11.965 8.158 ( 3.506 0.352 2.106) 4.105 8.356 ( -2.224 -2.003 1.748) 3.466 8.415 ( -0.817 0.213 -0.329) 0.906 8.452 ( -1.693 -1.970 -1.171) 2.849 8.866 ( -9.389 -1.632 4.078) 10.366 8.905 ( -0.753 2.930 4.893) 5.753 9.047 ( -3.200 2.263 -5.864) 7.053 9.102 ( 7.955 5.861 5.199) 11.165 9.156 ( -1.649 -1.299 -2.236) 3.067 9.280 ( 7.430 -0.387 6.291) 9.743 9.443 ( 2.026 -3.100 -1.239) 3.905 9.734 ( -3.277 -2.671 8.746) 9.714 9.954 ( -0.729 2.066 1.446) 2.625 9.967 ( -2.829 1.043 3.760) 4.820 10.023 ( 3.366 0.166 -2.959) 4.485 10.284 ( 0.462 -3.205 4.781) 5.774 10.297 ( 0.455 -4.478 4.522) 6.381 10.554 ( 4.458 3.012 -3.244) 6.282 10.725 ( 4.094 0.959 4.160) 5.915 10.776 ( 0.403 -1.059 0.839) 1.410 10.904 ( 0.803 -1.356 2.443) 2.907 11.603 ( 5.988 3.893 -9.847) 12.165 11.735 ( 7.054 -4.867 -9.742) 12.976 11.850 ( 0.805 4.438 -1.565) 4.774 11.988 ( -4.087 1.209 3.986) 5.836 12.142 ( 2.730 -1.712 -3.425) 4.703 12.404 ( -5.917 -1.356 7.122) 9.358 12.483 ( 0.988 -4.946 -0.138) 5.045 12.557 ( 3.868 -0.586 -5.026) 6.369 12.894 ( -3.933 3.905 0.694) 5.586 12.956 ( -1.389 0.958 -1.392) 2.187 13.207 ( 1.925 0.695 -1.996) 2.859 13.427 ( -0.676 0.164 0.110) 0.705 14.310 ( -7.552 -0.865 2.080) 7.881 14.951 ( -0.128 -0.768 5.038) 5.097 15.066 ( 5.389 4.232 -19.031) 20.227 16.157 ( 7.467 5.361 12.851) 15.800 16.954 ( -11.753 3.168 3.459) 12.654 17.551 ( 9.521 -0.445 -9.158) 13.218 18.497 ( 2.941 -0.285 2.090) 3.620 18.891 ( -3.701 2.770 -1.070) 4.745 19.091 ( 2.195 -2.839 1.569) 3.917 19.727 ( 1.141 0.744 17.227) 17.281 20.554 ( 3.413 -1.946 1.143) 4.092 20.709 ( -14.945 -0.430 -2.596) 15.175 21.634 ( 2.403 4.104 -5.567) 7.322 21.728 ( 3.231 -1.510 -0.695) 3.633 21.765 ( 0.632 -4.475 -6.852) 8.208 22.606 ( 2.212 2.363 -5.493) 6.376 ======================= Grid point 92 (48/97) ======================= q-point: (-0.33 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( -5.191 1.454 4.222) 6.847 2.147 ( 6.733 22.155 10.959) 25.618 2.335 ( -0.286 12.898 25.302) 28.401 2.597 ( -5.294 -3.101 10.538) 12.194 2.919 ( -5.280 -1.501 6.468) 8.483 3.043 ( 0.172 5.171 13.036) 14.025 3.145 ( -10.505 -4.179 4.971) 12.351 3.383 ( -2.200 3.063 -1.753) 4.158 3.476 ( 1.308 -4.164 5.540) 7.053 3.592 ( -2.894 0.422 3.210) 4.343 3.824 ( -2.023 0.999 -0.880) 2.422 3.891 ( 1.382 -0.001 -0.822) 1.608 4.092 ( -1.177 -2.063 -0.720) 2.482 4.160 ( -2.640 -1.189 -7.558) 8.094 4.267 ( -0.627 1.034 -5.356) 5.491 4.326 ( -0.304 -4.593 1.199) 4.757 4.430 ( 5.411 7.699 -7.929) 12.305 4.609 ( 0.324 -1.182 -1.661) 2.064 4.834 ( -11.359 -6.412 -0.584) 13.057 4.949 ( 2.424 0.474 2.141) 3.268 5.021 ( 4.897 1.166 -0.673) 5.079 5.152 ( -2.779 -2.082 -0.899) 3.587 5.333 ( 2.170 1.411 -2.776) 3.796 5.388 ( 1.127 -1.619 -1.343) 2.386 5.593 ( -6.127 -0.774 1.604) 6.381 5.639 ( -6.282 -7.967 -0.309) 10.151 5.779 ( 8.177 -3.099 -5.950) 10.577 5.838 ( 9.474 -3.755 0.476) 10.202 6.025 ( -2.025 -0.711 -1.197) 2.457 6.123 ( -1.351 1.855 -7.235) 7.590 6.180 ( 1.324 -5.249 -2.931) 6.156 6.324 ( 5.016 -0.715 -1.751) 5.361 6.439 ( -4.763 2.079 -3.654) 6.353 6.519 ( -3.631 -2.205 -4.880) 6.470 6.642 ( 2.564 -1.061 -1.798) 3.306 6.797 ( -2.865 -0.261 -3.785) 4.754 6.928 ( 3.840 1.805 -0.537) 4.277 7.099 ( 4.515 -2.589 3.366) 6.198 7.221 ( 0.467 0.308 1.550) 1.648 7.294 ( 6.400 -2.738 -4.984) 8.561 7.355 ( 5.392 -0.814 0.682) 5.496 7.553 ( 1.278 9.424 -1.039) 9.567 7.699 ( -7.360 2.105 -6.412) 9.986 7.804 ( -0.097 -3.186 0.586) 3.241 7.891 ( -2.111 3.395 -2.538) 4.735 7.981 ( 0.834 -0.835 -12.739) 12.794 8.095 ( 1.096 -1.781 -5.071) 5.485 8.247 ( 4.891 2.078 5.183) 7.424 8.381 ( -2.147 -4.825 0.450) 5.300 8.398 ( -2.338 -1.083 -0.347) 2.599 8.481 ( 2.306 -3.983 0.922) 4.694 8.776 ( -6.913 -0.249 2.556) 7.375 8.833 ( -6.215 0.108 -3.138) 6.963 8.951 ( -0.220 3.487 -0.065) 3.495 9.111 ( -2.511 3.633 4.688) 6.440 9.165 ( 7.036 5.888 2.179) 9.430 9.410 ( 5.128 0.345 2.525) 5.726 9.508 ( 2.338 -2.384 -0.978) 3.479 9.789 ( -1.907 -3.955 6.988) 8.253 9.887 ( -5.587 2.036 0.283) 5.953 9.933 ( 0.270 3.741 4.713) 6.024 10.043 ( 3.489 1.607 -5.669) 6.848 10.319 ( 2.288 -0.878 4.498) 5.123 10.444 ( -0.769 -8.752 5.987) 10.632 10.520 ( 2.139 6.790 -3.222) 7.814 10.716 ( -1.785 2.346 2.850) 4.100 10.840 ( 3.674 -3.221 2.091) 5.315 11.058 ( 10.565 1.267 5.854) 12.145 11.595 ( 4.403 3.087 -9.323) 10.762 11.741 ( -1.220 1.175 -6.656) 6.868 11.879 ( 8.121 -0.496 -6.970) 10.713 11.954 ( -1.658 0.803 2.933) 3.463 12.154 ( 1.009 -0.924 -7.701) 7.821 12.370 ( -4.587 -0.984 5.511) 7.237 12.567 ( -2.074 -3.082 -0.480) 3.745 12.619 ( 4.404 -6.765 -0.469) 8.086 12.780 ( -1.645 6.751 -0.776) 6.992 12.900 ( -1.701 1.731 -2.273) 3.325 13.189 ( -1.433 0.520 -1.162) 1.916 13.425 ( -0.418 -0.920 0.811) 1.295 14.231 ( -5.802 -1.685 2.974) 6.734 14.959 ( 2.435 6.072 -16.417) 17.673 14.986 ( -0.733 -0.620 5.537) 5.620 16.176 ( 1.021 12.488 8.766) 15.292 16.786 ( -5.243 2.569 2.313) 6.281 17.598 ( 5.017 3.089 -8.109) 10.023 18.552 ( 1.416 2.234 5.472) 6.078 18.795 ( -1.558 2.180 -0.388) 2.707 19.170 ( 2.053 -2.574 2.399) 4.074 19.800 ( -1.035 2.196 15.458) 15.647 20.278 ( -13.050 8.054 -11.934) 19.432 20.862 ( 4.547 -12.399 8.487) 15.698 21.543 ( -1.372 4.229 -4.996) 6.687 21.705 ( -1.234 -0.144 -4.555) 4.721 21.943 ( 7.479 -8.965 -3.158) 12.094 22.574 ( 2.020 2.950 -4.944) 6.101 ======================= Grid point 93 (49/97) ======================= q-point: (-0.17 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -4.571 0.125 7.178) 8.511 2.094 ( 11.888 18.664 13.587) 25.967 2.271 ( 7.766 21.431 19.382) 29.920 2.533 ( -12.602 -3.428 10.360) 16.670 2.899 ( -4.772 6.620 15.907) 17.878 3.014 ( -4.782 -0.472 11.102) 12.097 3.121 ( -5.528 -3.072 5.563) 8.422 3.211 ( -4.324 3.809 -1.652) 5.995 3.575 ( 0.877 -4.270 0.219) 4.364 3.626 ( 0.241 -1.768 7.425) 7.637 3.841 ( -0.926 -2.669 -0.391) 2.852 3.903 ( 1.196 -2.284 0.558) 2.638 4.065 ( -1.014 3.240 -0.898) 3.512 4.100 ( -3.623 -3.022 -3.554) 5.907 4.249 ( 1.617 -0.043 -8.163) 8.322 4.325 ( 1.862 6.676 -8.148) 10.697 4.463 ( 2.646 -10.784 -8.175) 13.789 4.548 ( -2.308 5.413 -0.337) 5.894 4.796 ( -4.446 -8.637 -0.472) 9.726 5.022 ( 2.214 -2.609 -1.755) 3.845 5.069 ( -9.815 0.640 3.689) 10.504 5.132 ( 7.277 -2.057 3.664) 8.403 5.298 ( -2.407 3.342 -5.669) 7.007 5.370 ( -0.360 -5.866 2.437) 6.362 5.608 ( -0.712 -3.673 0.700) 3.807 5.704 ( -2.339 -8.203 2.930) 9.019 5.873 ( 1.300 -0.766 -2.989) 3.348 5.993 ( -1.468 1.308 -5.944) 6.261 6.026 ( 0.159 -2.956 -5.656) 6.384 6.073 ( 8.667 -4.172 1.550) 9.743 6.255 ( 0.964 -0.794 -3.670) 3.877 6.345 ( 5.268 -5.133 -0.644) 7.383 6.372 ( -2.433 -0.536 -5.276) 5.835 6.524 ( 5.957 0.530 -3.444) 6.901 6.674 ( 0.379 -0.100 -0.634) 0.745 6.761 ( 0.751 -0.301 -1.919) 2.083 6.955 ( 0.657 2.232 -1.046) 2.551 7.146 ( -5.713 4.096 0.773) 7.071 7.214 ( 1.539 2.136 0.515) 2.683 7.321 ( -3.793 4.553 0.960) 6.003 7.421 ( 3.026 1.874 -0.434) 3.586 7.492 ( 9.407 0.859 -3.752) 10.164 7.598 ( -1.067 -2.025 -5.184) 5.667 7.841 ( 0.457 0.748 2.048) 2.227 7.888 ( 3.282 -5.498 -0.265) 6.409 7.970 ( 2.498 -3.304 -11.582) 12.301 8.110 ( 0.962 -3.093 -5.129) 6.066 8.305 ( 3.234 2.137 4.164) 5.689 8.349 ( -4.811 -1.890 1.499) 5.382 8.436 ( 1.676 -4.498 -2.534) 5.428 8.537 ( -5.293 -2.662 0.784) 5.977 8.710 ( -3.740 -3.936 -3.771) 6.611 8.781 ( 2.801 0.989 0.302) 2.986 8.925 ( 0.618 2.847 2.270) 3.693 9.047 ( -2.372 5.093 8.021) 9.793 9.190 ( 4.985 5.797 1.589) 7.809 9.400 ( -2.891 2.846 -7.318) 8.368 9.546 ( 0.405 0.581 0.961) 1.194 9.768 ( -4.301 2.086 8.151) 9.449 9.860 ( 0.787 -2.059 0.289) 2.223 9.919 ( 0.413 2.518 1.201) 2.820 10.041 ( 4.886 3.377 -3.645) 6.969 10.383 ( 1.594 3.247 1.058) 3.768 10.435 ( 0.550 4.592 -0.810) 4.695 10.539 ( -1.639 -3.988 3.981) 5.868 10.671 ( -2.351 1.604 3.364) 4.406 10.973 ( 0.386 -5.583 2.319) 6.058 11.149 ( 6.428 3.675 0.944) 7.464 11.499 ( -0.931 9.311 -7.204) 11.809 11.722 ( 2.452 -1.385 -9.541) 9.948 11.921 ( 1.478 2.858 2.721) 4.214 11.968 ( 5.318 -3.166 -11.184) 12.782 12.130 ( 1.764 0.701 -10.718) 10.885 12.357 ( -2.906 -1.021 4.947) 5.827 12.548 ( -1.676 -0.592 -1.084) 2.082 12.672 ( -1.209 5.066 0.269) 5.215 12.774 ( 1.000 -6.112 3.673) 7.201 12.868 ( 0.976 0.470 -0.335) 1.133 13.159 ( -1.311 0.150 -0.407) 1.381 13.446 ( -1.217 -2.370 2.240) 3.481 14.282 ( 6.528 -7.965 -1.544) 10.413 14.818 ( 0.076 6.329 -12.912) 14.380 15.002 ( -2.080 0.103 6.851) 7.161 15.990 ( -5.704 12.700 5.607) 15.009 16.781 ( 4.818 0.911 1.901) 5.259 17.546 ( 1.649 7.462 -2.862) 8.160 18.515 ( -1.285 5.519 4.634) 7.320 18.824 ( 3.256 -0.726 4.806) 5.851 19.246 ( 3.174 -1.209 2.856) 4.438 19.681 ( -15.662 7.123 1.413) 17.263 20.086 ( 7.377 4.467 -3.547) 9.325 21.112 ( 1.003 -11.733 7.986) 14.228 21.468 ( 1.479 2.797 -4.139) 5.210 21.643 ( -3.587 1.118 -2.784) 4.676 22.127 ( 1.031 -10.552 -3.244) 11.087 22.547 ( 2.343 1.701 -5.827) 6.507 ======================= Grid point 97 (50/97) ======================= q-point: (-0.50 0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -5.861 -0.000 5.842) 8.275 2.421 ( -0.151 -0.000 11.252) 11.253 2.567 ( 8.873 -0.000 8.296) 12.148 2.710 ( -3.785 -0.000 25.373) 25.653 2.835 ( -8.674 -0.000 6.696) 10.958 2.922 ( -9.380 -0.000 6.781) 11.574 3.112 ( 11.678 0.000 -1.225) 11.742 3.310 ( 0.824 -0.000 4.549) 4.623 3.533 ( -0.650 0.000 13.430) 13.446 3.574 ( -4.280 -0.000 -10.158) 11.023 3.856 ( -5.595 0.000 -1.540) 5.803 3.880 ( 0.559 -0.000 0.471) 0.731 4.017 ( -3.180 -0.000 -0.209) 3.187 4.115 ( -6.183 -0.000 -8.073) 10.169 4.333 ( -2.099 -0.000 -10.409) 10.618 4.394 ( -8.724 0.000 7.999) 11.836 4.542 ( 4.333 -0.000 2.857) 5.190 4.561 ( 5.280 -0.000 -8.960) 10.400 4.723 ( -11.314 -0.000 0.188) 11.316 5.002 ( 0.550 -0.000 3.458) 3.502 5.019 ( 2.876 -0.000 2.194) 3.617 5.122 ( 2.748 -0.000 -3.713) 4.619 5.362 ( -3.763 -0.000 -2.788) 4.683 5.370 ( 8.109 -0.000 -5.157) 9.610 5.525 ( -1.909 -0.000 0.771) 2.058 5.594 ( -9.772 -0.000 -4.814) 10.893 5.732 ( 7.343 -0.000 6.515) 9.817 5.791 ( 6.021 0.000 -5.107) 7.895 6.003 ( -0.492 -0.000 0.925) 1.048 6.076 ( 2.595 -0.000 -2.213) 3.411 6.108 ( -2.243 -0.000 -3.311) 3.999 6.344 ( 3.834 -0.000 -5.002) 6.302 6.474 ( -0.917 -0.000 -7.381) 7.438 6.501 ( -6.779 -0.000 -2.322) 7.166 6.661 ( 4.272 -0.000 -4.256) 6.030 6.744 ( -0.301 -0.000 -4.059) 4.070 6.975 ( 3.245 -0.000 -4.299) 5.386 7.050 ( 4.052 -0.000 7.684) 8.687 7.202 ( -0.450 -0.000 -2.181) 2.227 7.305 ( 4.763 -0.000 4.453) 6.520 7.309 ( 8.702 0.000 -8.887) 12.438 7.699 ( 1.591 -0.000 -2.196) 2.712 7.730 ( -4.838 -0.000 -5.236) 7.129 7.757 ( -1.941 -0.000 3.991) 4.438 7.943 ( -2.722 -0.000 -10.197) 10.554 7.985 ( -1.020 0.000 -10.997) 11.044 8.064 ( -0.398 -0.000 -6.061) 6.074 8.284 ( 7.042 0.000 7.473) 10.268 8.284 ( -4.564 -0.000 -2.568) 5.236 8.368 ( -7.275 -0.000 3.842) 8.227 8.420 ( 2.568 -0.000 -0.571) 2.631 8.772 ( -3.517 -0.000 3.420) 4.906 8.836 ( -10.116 -0.000 -6.410) 11.976 8.999 ( -2.099 -0.000 0.850) 2.264 9.161 ( 1.200 -0.000 2.054) 2.379 9.276 ( 5.896 -0.000 6.354) 8.668 9.415 ( 6.355 -0.000 2.918) 6.993 9.462 ( 5.166 -0.000 -3.566) 6.277 9.721 ( -2.183 -0.000 7.774) 8.075 9.911 ( -6.101 -0.000 4.190) 7.401 10.000 ( 1.093 -0.000 5.505) 5.612 10.067 ( 4.332 -0.000 -5.401) 6.924 10.303 ( 0.495 -0.000 5.079) 5.103 10.323 ( 3.035 -0.000 8.436) 8.966 10.622 ( 3.109 -0.000 -2.665) 4.095 10.749 ( -2.390 0.000 2.511) 3.467 10.797 ( 1.803 -0.000 1.261) 2.200 11.068 ( 15.131 -0.000 7.891) 17.065 11.665 ( 5.907 0.000 -13.263) 14.519 11.709 ( -0.897 -0.000 -7.741) 7.793 11.876 ( 3.794 -0.000 -2.668) 4.638 11.969 ( -3.825 -0.000 6.513) 7.553 12.164 ( 3.496 -0.000 -5.353) 6.393 12.365 ( -2.932 -0.000 7.688) 8.229 12.421 ( -3.226 -0.000 0.114) 3.228 12.595 ( 4.804 -0.000 -6.687) 8.234 12.880 ( -1.518 -0.000 -0.390) 1.567 12.921 ( -2.638 -0.000 -3.122) 4.087 13.195 ( -2.869 -0.000 0.047) 2.869 13.417 ( -0.654 -0.000 -0.124) 0.665 14.213 ( -6.282 -0.000 2.357) 6.710 14.973 ( -0.344 -0.000 4.447) 4.460 15.040 ( 1.046 -0.000 -16.962) 16.994 16.371 ( 6.010 -0.000 12.154) 13.559 16.821 ( -9.471 -0.000 0.965) 9.520 17.620 ( 5.801 -0.000 -8.742) 10.492 18.561 ( 3.474 -0.000 3.160) 4.696 18.843 ( -3.824 -0.000 -0.831) 3.913 19.136 ( 4.839 -0.000 1.293) 5.009 19.825 ( -3.724 -0.000 23.809) 24.099 20.413 ( -13.874 -0.000 -10.288) 17.272 20.664 ( 6.376 -0.000 4.670) 7.904 21.647 ( -3.102 0.000 -4.085) 5.129 21.653 ( 0.895 -0.000 -12.493) 12.525 21.823 ( 7.413 -0.000 -0.098) 7.414 22.619 ( 1.005 -0.000 -4.711) 4.817 ======================= Grid point 99 (51/97) ======================= q-point: (-0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -3.195 1.905 10.544) 11.181 2.422 ( -9.660 1.518 9.854) 13.882 2.569 ( -13.179 4.542 14.800) 20.331 2.655 ( 11.161 13.538 11.070) 20.746 2.771 ( -10.949 -5.968 7.939) 14.782 3.015 ( 6.592 0.772 15.183) 16.570 3.268 ( 5.837 3.114 4.322) 7.902 3.341 ( -2.771 0.690 -5.169) 5.905 3.506 ( 3.677 0.380 -1.494) 3.987 3.564 ( -3.853 -2.324 6.100) 7.580 3.735 ( -8.454 -3.660 -3.459) 9.840 3.885 ( -1.364 -0.622 2.263) 2.714 4.000 ( -2.572 -3.267 -1.903) 4.573 4.024 ( -3.804 -5.455 -2.253) 7.021 4.205 ( -5.612 0.929 -8.807) 10.485 4.274 ( -5.741 1.168 3.367) 6.757 4.547 ( -4.438 -1.141 -8.468) 9.628 4.576 ( -4.719 1.569 -1.838) 5.302 4.672 ( 9.626 0.630 0.070) 9.647 5.037 ( 3.000 2.910 1.835) 4.565 5.060 ( 1.377 -2.002 -1.000) 2.627 5.154 ( 3.092 2.231 1.419) 4.068 5.258 ( -5.853 -1.859 0.884) 6.205 5.412 ( 2.656 4.557 -5.223) 7.423 5.510 ( -0.435 -3.093 2.277) 3.866 5.561 ( 3.447 -3.409 -1.849) 5.188 5.834 ( 5.170 -0.624 -2.244) 5.670 5.910 ( 3.263 -4.472 3.132) 6.361 6.015 ( 2.163 0.876 -1.426) 2.735 6.118 ( 3.300 1.857 0.963) 3.907 6.176 ( 5.973 -2.966 0.908) 6.731 6.251 ( -5.860 -0.777 -4.182) 7.241 6.409 ( -2.124 0.405 -8.137) 8.420 6.476 ( 2.460 -2.663 -5.858) 6.889 6.668 ( 1.755 0.605 -6.186) 6.458 6.746 ( 2.226 -0.043 -3.644) 4.271 7.029 ( 6.237 2.696 -2.531) 7.251 7.170 ( 2.340 -1.027 2.249) 3.404 7.177 ( -0.257 -1.719 1.135) 2.076 7.377 ( 1.427 -2.057 0.130) 2.507 7.425 ( 8.694 0.560 -1.256) 8.803 7.608 ( -2.695 5.030 -0.188) 5.709 7.653 ( -1.990 4.034 -4.988) 6.717 7.772 ( -0.219 -3.198 -0.004) 3.206 7.870 ( -1.505 -1.253 -7.559) 7.809 7.916 ( 1.552 1.355 -9.343) 9.568 8.024 ( -1.620 -2.602 -6.994) 7.637 8.241 ( -1.932 -4.769 -2.548) 5.742 8.255 ( -9.035 -3.962 5.490) 11.290 8.411 ( 2.807 2.246 2.271) 4.252 8.490 ( 1.445 -1.528 2.581) 3.329 8.620 ( -10.336 -1.720 -9.962) 14.458 8.790 ( 3.534 0.010 2.603) 4.389 8.974 ( -2.216 0.781 3.067) 3.863 9.174 ( 0.692 3.308 5.366) 6.341 9.346 ( 4.068 5.041 4.053) 7.641 9.455 ( -0.968 1.235 -4.306) 4.584 9.536 ( 5.547 -0.927 -3.624) 6.691 9.748 ( -1.894 -3.179 6.028) 7.073 9.850 ( -3.879 1.276 8.138) 9.105 10.024 ( 1.737 4.390 1.703) 5.018 10.100 ( 4.606 0.343 -3.779) 5.968 10.369 ( 1.639 -0.530 7.609) 7.802 10.432 ( 2.574 -3.065 8.349) 9.259 10.604 ( 0.484 4.408 -2.481) 5.081 10.719 ( -2.594 1.141 2.150) 3.557 10.854 ( 3.058 -2.728 0.986) 4.215 11.253 ( 3.067 2.796 2.752) 4.980 11.666 ( 8.576 2.437 -5.090) 10.266 11.704 ( 3.318 0.154 -8.408) 9.040 11.893 ( -2.599 -0.480 -0.304) 2.660 11.959 ( 2.349 0.479 -4.996) 5.542 12.173 ( 4.309 1.578 -7.477) 8.773 12.332 ( -3.952 -0.005 3.675) 5.397 12.443 ( -4.129 -7.032 2.888) 8.651 12.648 ( 5.658 -1.172 -1.896) 6.082 12.826 ( -1.836 4.256 -1.161) 4.778 12.877 ( -0.083 -0.188 -1.686) 1.698 13.146 ( -3.880 -0.628 0.916) 4.036 13.412 ( -0.368 -0.395 0.452) 0.704 14.162 ( -1.500 -1.763 0.098) 2.316 14.939 ( -1.065 2.587 -13.616) 13.900 14.979 ( -2.685 -1.200 4.070) 5.021 16.377 ( -2.199 14.181 7.059) 15.993 16.754 ( -1.038 -3.760 1.732) 4.268 17.629 ( 1.642 0.446 -7.823) 8.006 18.602 ( -1.749 0.745 6.400) 6.677 18.824 ( 3.899 0.560 -0.963) 4.055 19.222 ( 4.697 -0.315 1.909) 5.080 19.802 ( -14.192 2.263 14.314) 20.284 20.232 ( 2.194 4.959 -1.475) 5.619 20.823 ( 3.516 -8.039 5.615) 10.417 21.539 ( -1.289 2.704 -9.203) 9.678 21.623 ( -2.784 -2.599 -6.986) 7.957 21.939 ( 5.196 -3.464 -1.853) 6.513 22.592 ( 0.127 1.253 -5.147) 5.299 ======================= Grid point 100 (52/97) ======================= q-point: (-0.17 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -1.338 4.105 15.683) 16.266 2.251 ( -16.369 -2.654 9.164) 18.947 2.377 ( -17.320 -0.326 9.506) 19.760 2.718 ( 6.551 10.666 13.759) 18.601 2.827 ( 6.598 2.448 13.904) 15.583 3.050 ( -3.002 7.998 2.245) 8.833 3.163 ( -4.270 4.641 2.553) 6.803 3.305 ( -2.982 4.108 7.003) 8.649 3.501 ( -1.942 -4.246 2.054) 5.101 3.634 ( 2.418 -5.369 6.055) 8.446 3.781 ( 1.299 -7.493 -2.214) 7.920 3.890 ( 1.624 -2.041 1.635) 3.078 3.974 ( -3.970 -2.631 0.409) 4.780 4.087 ( -4.906 -0.235 -6.160) 7.878 4.137 ( 1.999 -7.545 -3.218) 8.443 4.227 ( -5.476 -8.377 0.072) 10.009 4.429 ( -4.503 -0.468 -6.143) 7.631 4.530 ( 4.305 3.066 -4.061) 6.665 4.756 ( 3.580 3.468 -0.435) 5.003 5.038 ( 1.471 6.197 -4.485) 7.789 5.047 ( 1.874 1.709 2.462) 3.535 5.212 ( 1.895 -2.930 5.713) 6.694 5.265 ( 1.213 3.170 -0.991) 3.536 5.381 ( 2.991 -1.400 -2.768) 4.309 5.577 ( 2.104 -2.657 1.466) 3.693 5.649 ( 1.779 -1.377 -0.341) 2.275 5.888 ( 0.843 3.830 -1.467) 4.187 5.935 ( -3.474 -0.723 -3.648) 5.089 5.991 ( 3.078 -2.558 -5.311) 6.650 6.097 ( -0.857 -0.594 -3.069) 3.241 6.277 ( 2.352 -0.068 1.238) 2.659 6.326 ( 6.298 -2.886 -1.660) 7.124 6.415 ( 7.629 -2.370 1.543) 8.136 6.535 ( 1.958 -5.973 -3.273) 7.087 6.678 ( 1.395 -3.410 -4.991) 6.203 6.773 ( 4.756 1.470 -1.270) 5.138 6.992 ( -1.540 5.858 -4.001) 7.259 7.097 ( -7.420 3.610 -0.526) 8.269 7.216 ( -4.343 3.397 -4.317) 7.003 7.340 ( 0.212 1.232 -0.215) 1.268 7.472 ( -0.768 0.909 0.711) 1.386 7.534 ( 1.350 -0.736 1.842) 2.399 7.695 ( 11.905 3.142 -2.492) 12.562 7.818 ( -2.737 -4.610 -0.488) 5.383 7.864 ( 0.936 -4.476 -4.165) 6.185 7.902 ( 2.747 -1.586 -10.107) 10.593 8.032 ( 1.162 -4.752 -3.863) 6.233 8.242 ( -4.406 -5.346 4.522) 8.273 8.320 ( -0.263 -3.458 0.122) 3.470 8.334 ( -5.287 -4.413 -4.480) 8.216 8.463 ( -2.078 -1.321 -2.748) 3.690 8.591 ( 1.490 -3.519 -3.385) 5.105 8.861 ( 1.737 1.856 2.869) 3.833 8.957 ( 0.025 0.286 3.423) 3.435 9.158 ( 0.726 6.151 7.982) 10.103 9.276 ( -4.527 5.558 -5.409) 8.980 9.373 ( -0.068 3.940 -0.974) 4.059 9.588 ( 2.758 1.280 -1.560) 3.417 9.779 ( -2.223 -0.058 7.942) 8.248 9.871 ( 1.536 -1.197 5.259) 5.609 9.965 ( -0.132 4.742 -2.679) 5.448 10.155 ( 5.017 1.108 -1.655) 5.398 10.396 ( -2.561 0.970 4.472) 5.244 10.481 ( -3.068 3.121 0.746) 4.439 10.577 ( 3.557 2.204 4.494) 6.140 10.665 ( -3.010 1.260 2.672) 4.217 10.923 ( -1.211 -1.215 0.178) 1.725 11.235 ( 2.843 -1.563 -1.723) 3.674 11.576 ( -5.558 14.012 -3.541) 15.484 11.725 ( 6.628 2.132 -12.652) 14.442 11.882 ( -4.029 -2.641 3.044) 5.699 11.960 ( 4.996 -1.449 -12.766) 13.785 12.182 ( 4.601 2.550 -6.043) 8.012 12.336 ( 0.035 -2.279 2.242) 3.197 12.464 ( -3.312 -5.336 0.319) 6.288 12.720 ( -0.269 3.349 3.170) 4.619 12.766 ( 0.520 -1.005 2.190) 2.465 12.904 ( 3.997 0.564 0.503) 4.068 13.113 ( -3.665 -1.978 1.252) 4.348 13.420 ( -0.448 -0.925 1.184) 1.568 14.275 ( 10.519 -9.447 -6.683) 15.639 14.806 ( -1.990 4.264 -10.750) 11.734 14.981 ( -3.354 -2.377 5.597) 6.945 16.106 ( -7.243 17.112 5.028) 19.250 16.846 ( 3.832 -3.606 1.229) 5.403 17.583 ( -1.086 1.311 -5.669) 5.919 18.569 ( -2.862 3.236 6.397) 7.719 18.915 ( 6.086 0.184 3.803) 7.179 19.299 ( 3.912 -1.321 -3.566) 5.456 19.532 ( -15.632 5.816 2.249) 16.830 20.314 ( 11.372 6.532 11.464) 17.419 21.009 ( -0.275 -10.903 5.998) 12.447 21.451 ( -3.112 -1.598 -8.674) 9.353 21.576 ( -0.971 -0.614 -4.135) 4.292 22.024 ( 0.575 -4.028 -3.098) 5.114 22.547 ( 0.221 0.669 -6.847) 6.883 ======================= Grid point 105 (53/97) ======================= q-point: (-0.33 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 3.009 0.000 17.259) 17.520 2.194 ( -25.770 -0.000 10.568) 27.852 2.339 ( -21.180 -0.000 12.064) 24.375 2.799 ( 5.645 0.000 11.630) 12.928 2.951 ( 7.076 0.000 11.791) 13.752 3.201 ( -10.664 -0.000 10.603) 15.038 3.280 ( -2.089 -0.000 -5.832) 6.195 3.354 ( 1.655 0.000 0.563) 1.748 3.443 ( -2.299 -0.000 0.311) 2.320 3.515 ( -8.048 -0.000 6.723) 10.486 3.608 ( 8.396 0.000 -3.661) 9.159 3.885 ( 0.618 0.000 6.284) 6.314 3.943 ( -1.718 -0.000 -1.215) 2.105 3.949 ( -1.562 -0.000 -1.556) 2.204 4.023 ( -11.061 -0.000 -6.196) 12.678 4.248 ( 0.147 0.000 0.267) 0.305 4.337 ( -9.132 -0.000 -2.260) 9.408 4.609 ( 5.267 0.000 -7.894) 9.490 4.827 ( 7.597 0.000 -1.641) 7.773 5.089 ( 5.750 0.000 0.354) 5.761 5.130 ( 2.812 0.000 3.446) 4.448 5.210 ( 4.252 0.000 -6.409) 7.691 5.233 ( 1.533 0.000 3.645) 3.954 5.477 ( -0.556 -0.000 4.176) 4.212 5.511 ( 4.773 0.000 -4.835) 6.794 5.602 ( 5.551 0.000 -1.387) 5.722 5.885 ( 2.494 0.000 0.557) 2.555 5.893 ( -1.058 -0.000 0.803) 1.328 6.073 ( 5.125 0.000 -5.425) 7.463 6.114 ( -3.597 -0.000 -6.810) 7.702 6.261 ( 2.283 0.000 5.182) 5.663 6.287 ( 8.249 0.000 4.147) 9.233 6.385 ( 6.207 0.000 2.880) 6.842 6.421 ( -0.282 -0.000 -7.624) 7.629 6.618 ( -1.013 -0.000 -11.892) 11.935 6.806 ( 5.406 0.000 -2.562) 5.983 7.101 ( -5.414 -0.000 0.502) 5.437 7.114 ( 1.612 0.000 -2.187) 2.717 7.228 ( 3.895 0.000 -3.787) 5.433 7.324 ( -4.071 -0.000 -4.080) 5.764 7.528 ( 1.926 0.000 8.581) 8.794 7.609 ( -9.693 -0.000 -2.596) 10.034 7.647 ( -4.131 -0.000 -2.630) 4.897 7.731 ( 12.110 0.000 -6.436) 13.714 7.796 ( 0.893 0.000 -10.643) 10.681 7.940 ( 2.681 0.000 -1.887) 3.279 7.967 ( 1.794 0.000 -3.630) 4.049 8.149 ( -4.747 -0.000 6.117) 7.743 8.180 ( 0.590 0.000 -1.558) 1.666 8.376 ( -9.574 -0.000 -10.208) 13.995 8.411 ( -5.748 -0.000 0.021) 5.748 8.550 ( 4.964 0.000 -0.730) 5.017 8.891 ( 5.853 0.000 3.702) 6.925 8.952 ( -3.306 -0.000 3.473) 4.795 9.249 ( 1.612 0.000 7.139) 7.319 9.365 ( -6.218 -0.000 -7.711) 9.906 9.437 ( -0.810 -0.000 5.582) 5.640 9.603 ( 7.150 0.000 -6.996) 10.003 9.734 ( -0.660 -0.000 6.022) 6.058 9.881 ( -0.904 -0.000 10.884) 10.922 10.088 ( -1.560 -0.000 0.529) 1.647 10.108 ( 2.814 0.000 -6.887) 7.440 10.433 ( -0.716 -0.000 8.515) 8.545 10.477 ( -0.421 -0.000 6.630) 6.643 10.626 ( 1.429 0.000 1.005) 1.747 10.691 ( -3.514 -0.000 1.023) 3.660 10.898 ( 5.260 0.000 -0.213) 5.265 11.211 ( -5.653 -0.000 -3.389) 6.591 11.725 ( 5.142 0.000 -10.109) 11.341 11.826 ( -3.082 -0.000 7.160) 7.795 11.935 ( 14.731 0.000 -1.881) 14.850 11.951 ( 1.617 0.000 -11.272) 11.388 12.175 ( -4.135 -0.000 -10.894) 11.652 12.227 ( -2.305 -0.000 1.163) 2.582 12.369 ( -1.949 -0.000 -0.032) 1.949 12.728 ( 2.943 0.000 5.408) 6.157 12.813 ( -1.272 -0.000 -1.097) 1.680 12.911 ( 5.002 0.000 1.093) 5.119 13.079 ( -4.766 -0.000 0.890) 4.848 13.412 ( 0.087 0.000 0.933) 0.938 14.158 ( 4.960 0.000 -4.109) 6.441 14.867 ( -1.665 -0.000 -11.956) 12.071 14.928 ( -5.035 -0.000 4.787) 6.948 16.517 ( -1.925 -0.000 2.424) 3.095 16.676 ( -1.335 -0.000 2.654) 2.971 17.578 ( -3.132 -0.000 -8.045) 8.633 18.607 ( -3.110 -0.000 8.731) 9.269 18.912 ( 8.949 0.000 -3.649) 9.664 19.277 ( 1.056 0.000 -0.121) 1.063 19.612 ( -17.994 -0.000 5.184) 18.726 20.436 ( 13.778 0.000 16.402) 21.421 20.833 ( 1.182 0.000 4.375) 4.532 21.410 ( -7.328 -0.000 -14.353) 16.115 21.564 ( -0.246 -0.000 -4.118) 4.125 21.977 ( 3.407 0.000 -2.264) 4.090 22.560 ( -1.142 -0.000 -5.937) 6.046 ======================= Grid point 106 (54/97) ======================= q-point: (-0.17 -0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -7.221 9.114 22.146) 25.013 1.921 ( -19.531 -8.287 13.611) 25.207 2.105 ( -18.514 -1.147 10.274) 21.205 2.832 ( -26.804 -6.708 13.451) 30.731 2.990 ( 4.723 -2.355 11.503) 12.656 3.120 ( 2.668 8.401 1.050) 8.877 3.147 ( -1.522 6.083 7.983) 10.151 3.295 ( -0.820 6.986 2.845) 7.587 3.441 ( -2.827 -5.110 2.371) 6.303 3.653 ( 4.994 -4.570 5.038) 8.439 3.708 ( -0.272 -4.093 -3.118) 5.152 3.805 ( -9.489 -8.191 -7.395) 14.554 3.922 ( -1.975 -1.921 1.111) 2.970 3.958 ( 5.816 1.176 2.520) 6.447 4.113 ( 9.114 -9.564 2.008) 13.363 4.194 ( 0.288 4.559 -1.976) 4.978 4.329 ( 0.942 -4.637 -2.621) 5.410 4.640 ( 7.559 3.963 -7.167) 11.145 4.865 ( 2.937 3.613 -3.247) 5.677 5.116 ( 1.708 5.019 -1.140) 5.423 5.173 ( 5.187 4.196 0.873) 6.729 5.267 ( 1.710 -1.849 -2.541) 3.578 5.294 ( 3.584 -0.111 3.396) 4.939 5.429 ( 2.136 6.455 -2.315) 7.183 5.601 ( 3.833 -3.120 2.101) 5.371 5.670 ( 2.028 -1.177 -2.023) 3.097 5.850 ( -3.221 0.935 -2.788) 4.361 5.923 ( 1.518 -3.854 -7.889) 8.911 6.024 ( 2.743 8.440 0.368) 8.882 6.112 ( 3.700 2.298 -1.164) 4.509 6.322 ( 4.100 -2.628 -1.072) 4.987 6.399 ( -0.964 -4.606 2.390) 5.278 6.412 ( 6.164 2.114 -4.061) 7.678 6.571 ( 4.185 -4.249 -7.376) 9.485 6.601 ( 5.338 -5.050 6.428) 9.763 6.860 ( 3.387 1.276 -1.586) 3.952 6.979 ( -9.857 2.427 1.421) 10.250 7.031 ( -3.267 7.010 -4.691) 9.045 7.149 ( -7.559 3.262 -5.916) 10.138 7.322 ( 1.914 -7.642 -5.365) 9.531 7.441 ( -1.020 3.138 -4.281) 5.405 7.587 ( -8.369 -3.574 2.032) 9.325 7.635 ( 1.817 -2.401 4.421) 5.349 7.792 ( 1.702 -3.322 -5.328) 6.505 7.825 ( 4.081 -0.570 -6.819) 7.967 7.976 ( 6.555 1.540 -3.648) 7.658 8.025 ( 4.741 1.856 1.182) 5.227 8.152 ( -2.782 -2.921 3.647) 5.438 8.215 ( 0.845 -4.293 -5.873) 7.323 8.278 ( -0.669 -2.629 0.796) 2.827 8.347 ( -0.766 -4.800 -4.251) 6.457 8.611 ( 2.946 -0.571 -1.654) 3.427 8.887 ( -4.551 3.781 3.702) 6.979 8.981 ( 0.477 -1.807 3.995) 4.411 9.207 ( -5.953 2.433 -3.467) 7.306 9.294 ( 1.955 4.317 5.827) 7.511 9.412 ( -2.177 2.304 2.784) 4.219 9.645 ( 3.871 2.552 -4.664) 6.576 9.777 ( -0.682 -2.155 4.256) 4.819 9.917 ( 0.526 0.995 5.043) 5.167 9.995 ( -3.261 3.009 0.570) 4.473 10.134 ( -0.513 -2.909 -6.242) 6.906 10.400 ( -5.155 1.949 3.927) 6.767 10.441 ( -5.217 0.904 0.845) 5.362 10.636 ( -3.272 0.445 2.566) 4.181 10.708 ( 6.304 0.939 5.586) 8.475 10.945 ( 2.209 5.074 -0.977) 5.620 11.200 ( 3.319 -7.677 -4.434) 9.467 11.610 ( -11.838 13.607 -0.552) 18.044 11.790 ( -2.663 -2.296 -4.321) 5.571 11.832 ( 2.481 8.709 -13.716) 16.436 11.971 ( 3.098 0.619 -6.458) 7.190 12.235 ( 4.813 0.321 -6.261) 7.904 12.297 ( 5.632 -10.313 0.579) 11.765 12.361 ( -0.612 -3.289 -1.851) 3.823 12.751 ( -3.818 -0.053 6.315) 7.380 12.790 ( 0.332 3.060 1.811) 3.571 13.008 ( 4.302 1.272 2.956) 5.373 13.024 ( -2.724 -1.976 -0.338) 3.382 13.423 ( 0.606 0.244 1.661) 1.785 14.301 ( 13.172 -6.725 -9.502) 17.579 14.762 ( -2.689 2.492 -9.464) 10.149 14.913 ( -3.445 -3.682 5.637) 7.563 16.263 ( -7.398 20.709 0.383) 21.994 16.806 ( 1.507 -9.535 2.271) 9.916 17.465 ( -8.464 -4.290 -8.939) 13.037 18.588 ( -4.109 1.991 7.565) 8.836 19.044 ( 8.083 1.209 0.797) 8.212 19.205 ( -6.808 -2.103 -14.706) 16.341 19.423 ( -9.003 0.019 12.332) 15.268 20.732 ( 17.312 10.779 21.767) 29.827 20.874 ( -5.287 -5.981 -2.079) 8.249 21.288 ( -2.156 -7.218 -6.106) 9.697 21.552 ( 0.855 -1.354 -2.719) 3.156 21.989 ( -0.369 -0.069 -4.506) 4.522 22.511 ( -0.422 0.086 -6.412) 6.426 ======================= Grid point 112 (55/97) ======================= q-point: (-0.17 -0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.459 ( -28.371 -0.000 18.405) 33.819 1.745 ( -32.393 -0.000 17.415) 36.778 2.000 ( 1.620 0.000 19.926) 19.992 2.416 ( -23.610 -0.000 21.693) 32.063 3.052 ( -4.565 -0.000 -1.809) 4.910 3.223 ( 6.166 0.000 5.563) 8.305 3.252 ( -4.850 -0.000 8.571) 9.849 3.329 ( 0.979 0.000 2.517) 2.701 3.413 ( 5.393 0.000 4.434) 6.982 3.535 ( -8.712 -0.000 1.056) 8.776 3.681 ( -0.125 -0.000 -2.896) 2.899 3.737 ( 5.050 0.000 5.200) 7.249 3.878 ( -2.540 -0.000 -0.771) 2.655 4.123 ( 9.955 0.000 -3.931) 10.703 4.197 ( 11.277 0.000 2.484) 11.547 4.229 ( 0.624 0.000 -0.403) 0.743 4.321 ( 2.386 0.000 -1.266) 2.701 4.746 ( 7.500 0.000 -10.412) 12.832 4.907 ( 2.736 0.000 -2.606) 3.779 5.165 ( -3.722 -0.000 2.251) 4.350 5.200 ( -1.469 -0.000 -5.784) 5.968 5.256 ( 1.706 0.000 -5.856) 6.100 5.385 ( 6.452 0.000 7.243) 9.700 5.527 ( 1.571 0.000 1.908) 2.471 5.640 ( -2.373 -0.000 3.012) 3.834 5.663 ( 8.672 0.000 -5.177) 10.100 5.822 ( 1.905 0.000 -13.304) 13.439 5.912 ( 4.726 0.000 1.021) 4.835 6.095 ( -3.620 -0.000 4.273) 5.600 6.243 ( 7.454 0.000 -0.997) 7.521 6.310 ( 2.710 0.000 -1.789) 3.247 6.440 ( 0.665 0.000 -14.251) 14.266 6.441 ( 7.205 0.000 3.361) 7.950 6.506 ( -0.702 -0.000 1.845) 1.974 6.707 ( 1.871 0.000 6.872) 7.122 6.804 ( -11.833 -0.000 2.054) 12.010 6.923 ( 1.888 0.000 -0.089) 1.890 6.954 ( -13.306 -0.000 -8.990) 16.058 7.086 ( 1.806 0.000 -5.256) 5.557 7.207 ( 1.105 0.000 -3.455) 3.628 7.428 ( -6.794 -0.000 -0.167) 6.796 7.479 ( 5.142 0.000 -7.591) 9.169 7.709 ( 1.253 0.000 7.929) 8.027 7.786 ( 2.310 0.000 0.140) 2.314 7.857 ( 3.625 0.000 -2.286) 4.285 7.982 ( 5.494 0.000 -16.573) 17.459 8.080 ( -5.608 -0.000 -0.892) 5.679 8.187 ( 3.202 0.000 10.918) 11.378 8.187 ( 3.451 0.000 1.155) 3.639 8.278 ( 5.535 0.000 -4.495) 7.130 8.373 ( 8.513 0.000 1.490) 8.642 8.615 ( -1.419 -0.000 -0.944) 1.704 8.878 ( -4.447 -0.000 4.933) 6.641 8.919 ( -7.651 -0.000 -0.305) 7.657 9.131 ( -4.064 -0.000 -0.405) 4.084 9.365 ( -1.468 -0.000 5.417) 5.612 9.411 ( -1.040 -0.000 0.481) 1.146 9.703 ( 3.691 0.000 -6.480) 7.458 9.715 ( -6.951 -0.000 1.395) 7.089 9.939 ( -3.709 -0.000 2.921) 4.721 9.957 ( 1.668 0.000 -1.923) 2.546 10.106 ( 1.222 0.000 -2.209) 2.524 10.338 ( -4.067 -0.000 1.403) 4.302 10.369 ( -5.401 -0.000 0.144) 5.402 10.615 ( -1.306 -0.000 4.289) 4.483 10.827 ( 5.571 0.000 2.417) 6.073 11.068 ( -4.364 -0.000 -10.963) 11.800 11.105 ( 6.952 0.000 0.926) 7.014 11.575 ( -14.071 -0.000 3.378) 14.471 11.589 ( -11.909 -0.000 -2.807) 12.235 11.896 ( 3.895 0.000 -9.414) 10.188 11.925 ( 4.704 0.000 -18.799) 19.379 12.289 ( 1.227 0.000 -1.118) 1.660 12.302 ( 5.111 0.000 -4.625) 6.893 12.394 ( 10.283 0.000 -1.285) 10.362 12.697 ( -7.450 -0.000 6.396) 9.819 12.811 ( -1.943 -0.000 0.828) 2.112 12.964 ( -0.708 -0.000 0.542) 0.891 13.098 ( 2.396 0.000 1.572) 2.865 13.471 ( 3.417 0.000 3.765) 5.084 14.405 ( 12.901 0.000 -11.172) 17.066 14.676 ( -4.957 -0.000 -9.078) 10.343 14.878 ( -1.925 -0.000 7.630) 7.869 16.268 ( -13.437 -0.000 -12.765) 18.533 16.767 ( 2.822 0.000 9.499) 9.909 17.130 ( -22.141 -0.000 -6.712) 23.136 18.564 ( -5.888 -0.000 5.935) 8.360 18.950 ( -11.459 -0.000 -7.204) 13.535 19.245 ( 14.683 0.000 -1.030) 14.719 19.355 ( -8.834 -0.000 13.325) 15.988 20.633 ( -14.950 -0.000 -12.584) 19.541 21.173 ( 1.388 0.000 0.282) 1.416 21.300 ( 19.009 0.000 15.185) 24.330 21.588 ( 10.768 0.000 7.824) 13.310 21.929 ( -3.797 -0.000 -7.408) 8.324 22.488 ( 1.445 0.000 -4.268) 4.506 ======================= Grid point 113 (56/97) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 0.167 0.000 10.856) 10.858 1.747 ( -2.203 -0.000 24.797) 24.895 1.890 ( -9.270 -0.000 11.792) 15.000 2.795 ( -5.274 -0.000 -0.661) 5.315 3.216 ( -6.766 -0.000 8.189) 10.623 3.261 ( -3.815 -0.000 -1.544) 4.116 3.350 ( -2.196 -0.000 27.481) 27.569 3.445 ( 1.255 0.000 3.040) 3.289 3.554 ( -3.873 -0.000 -5.534) 6.755 3.641 ( 1.763 0.000 -4.890) 5.198 3.784 ( 8.965 0.000 1.964) 9.177 3.901 ( 3.776 0.000 4.296) 5.720 3.992 ( -0.196 -0.000 3.574) 3.579 4.126 ( -10.390 -0.000 -0.540) 10.404 4.147 ( 2.288 0.000 -3.289) 4.007 4.289 ( -1.048 -0.000 -1.419) 1.764 4.363 ( -3.917 -0.000 -0.230) 3.924 4.550 ( 3.240 0.000 -5.587) 6.459 4.848 ( -0.434 -0.000 -5.535) 5.552 5.004 ( 1.779 0.000 -2.324) 2.927 5.043 ( 2.532 0.000 1.525) 2.955 5.222 ( 1.136 0.000 2.530) 2.774 5.516 ( 0.461 0.000 -5.988) 6.006 5.624 ( -2.486 -0.000 3.928) 4.649 5.651 ( 4.723 0.000 -4.069) 6.234 5.798 ( -1.504 -0.000 0.648) 1.638 5.858 ( 7.064 0.000 -4.491) 8.370 6.005 ( 9.877 0.000 -8.318) 12.913 6.055 ( -4.495 -0.000 1.240) 4.663 6.066 ( -2.648 -0.000 -4.712) 5.405 6.263 ( 2.499 0.000 2.139) 3.289 6.304 ( -1.123 -0.000 -3.049) 3.250 6.495 ( 1.933 0.000 1.228) 2.290 6.641 ( 4.037 0.000 -4.281) 5.885 6.646 ( -5.042 -0.000 -1.062) 5.153 6.740 ( -1.649 -0.000 8.312) 8.474 6.911 ( -6.765 -0.000 0.468) 6.781 6.939 ( -1.038 -0.000 7.670) 7.740 7.033 ( 5.222 0.000 -3.682) 6.389 7.277 ( 2.158 0.000 -2.408) 3.233 7.278 ( -1.582 -0.000 -8.028) 8.182 7.370 ( 0.872 0.000 2.154) 2.324 7.749 ( 10.119 0.000 -7.911) 12.844 7.791 ( 3.377 0.000 -1.335) 3.631 7.823 ( -7.733 -0.000 -2.405) 8.098 8.078 ( 1.909 0.000 1.786) 2.614 8.099 ( 6.621 0.000 4.226) 7.854 8.274 ( 4.717 0.000 -3.688) 5.988 8.305 ( 0.402 0.000 2.348) 2.382 8.479 ( 1.089 0.000 -2.872) 3.072 8.488 ( -1.204 -0.000 6.943) 7.046 8.665 ( 5.070 0.000 -0.364) 5.083 8.845 ( 0.959 0.000 3.524) 3.652 8.893 ( -5.674 -0.000 1.983) 6.010 9.065 ( 2.304 0.000 -2.687) 3.539 9.070 ( -3.051 -0.000 -2.109) 3.709 9.216 ( -4.012 -0.000 -8.567) 9.460 9.602 ( -3.350 -0.000 -0.324) 3.365 9.732 ( 2.238 0.000 -3.797) 4.407 9.764 ( -0.211 -0.000 -2.453) 2.462 9.874 ( 0.828 0.000 0.449) 0.942 9.966 ( -6.121 -0.000 2.950) 6.794 10.297 ( -2.824 -0.000 4.266) 5.116 10.365 ( 1.129 0.000 -1.823) 2.144 10.677 ( -1.762 -0.000 0.825) 1.946 10.826 ( -14.301 -0.000 -0.185) 14.302 10.957 ( 12.072 0.000 -2.363) 12.301 10.963 ( 4.838 0.000 -7.847) 9.218 11.352 ( -5.107 -0.000 2.947) 5.896 11.524 ( 1.056 0.000 -1.524) 1.854 11.667 ( 5.418 0.000 -4.008) 6.739 11.691 ( 6.052 0.000 -13.864) 15.128 12.212 ( -3.333 -0.000 0.624) 3.391 12.367 ( 3.104 0.000 -1.209) 3.331 12.471 ( -0.988 -0.000 -2.308) 2.511 12.730 ( -2.604 -0.000 5.578) 6.156 12.742 ( 0.316 0.000 0.216) 0.383 12.975 ( 0.306 0.000 -2.465) 2.484 13.120 ( 1.168 0.000 1.581) 1.966 13.565 ( 1.754 0.000 -4.703) 5.019 14.438 ( -4.621 -0.000 0.539) 4.652 14.499 ( 7.064 0.000 -1.453) 7.212 15.127 ( -0.565 -0.000 7.960) 7.980 15.824 ( -1.276 -0.000 3.197) 3.442 16.748 ( -2.861 -0.000 2.272) 3.654 17.436 ( 5.163 0.000 21.443) 22.056 18.444 ( -3.065 -0.000 0.322) 3.082 18.918 ( 1.982 0.000 4.579) 4.990 19.446 ( -4.375 -0.000 7.743) 8.894 19.486 ( -14.246 -0.000 -23.582) 27.551 19.757 ( 9.195 0.000 4.752) 10.350 21.361 ( 4.076 0.000 0.451) 4.101 21.363 ( -3.012 -0.000 -0.655) 3.082 21.667 ( -1.882 -0.000 -0.310) 1.907 22.365 ( 8.926 0.000 -1.148) 8.999 22.455 ( -1.497 -0.000 -2.272) 2.721 ======================= Grid point 114 (57/97) ======================= q-point: ( 0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.635 ( -1.553 0.577 7.068) 7.259 2.026 ( 3.578 -17.497 20.381) 27.098 2.115 ( 21.617 -4.671 14.545) 26.470 2.741 ( -4.304 -1.038 3.416) 5.592 3.124 ( -7.804 1.907 4.891) 9.405 3.148 ( -8.354 0.992 4.653) 9.614 3.348 ( -4.322 5.263 1.648) 7.007 3.425 ( -8.999 1.145 18.499) 20.604 3.580 ( 2.238 -7.192 -6.399) 9.883 3.651 ( 2.517 0.844 -3.396) 4.310 3.854 ( -0.867 -0.468 -3.236) 3.382 3.934 ( -1.446 -1.268 0.650) 2.030 4.041 ( -0.090 0.259 7.199) 7.204 4.048 ( 7.229 1.935 4.767) 8.873 4.141 ( 0.787 2.152 -3.453) 4.144 4.228 ( -1.811 3.530 -1.476) 4.233 4.353 ( -3.646 -6.134 0.409) 7.147 4.529 ( 1.006 3.235 -5.184) 6.193 4.810 ( 0.110 0.480 -4.319) 4.347 5.040 ( 0.672 -3.618 -0.922) 3.793 5.111 ( 4.848 1.898 1.040) 5.309 5.195 ( -4.918 1.039 3.256) 5.990 5.492 ( -1.195 6.448 0.486) 6.575 5.521 ( -0.268 3.455 -0.738) 3.543 5.707 ( -3.689 -4.313 -3.802) 6.832 5.769 ( -1.201 3.445 -1.356) 3.892 5.824 ( -3.725 2.252 -1.944) 4.767 5.978 ( -3.338 5.505 -0.161) 6.440 6.026 ( 4.771 3.216 0.302) 5.762 6.100 ( 8.938 0.937 -12.591) 15.469 6.231 ( -3.907 8.559 -2.947) 9.859 6.278 ( 3.270 2.925 -0.959) 4.491 6.502 ( 6.973 1.566 2.030) 7.429 6.616 ( -4.547 -5.173 -0.790) 6.932 6.642 ( -0.778 0.614 1.125) 1.499 6.738 ( 2.334 1.342 3.002) 4.033 6.842 ( -0.821 2.404 -2.176) 3.345 6.985 ( -6.130 -9.249 2.204) 11.312 7.125 ( -2.823 -4.151 1.089) 5.137 7.190 ( -4.102 -0.794 -6.727) 7.919 7.272 ( 1.982 -4.660 -4.932) 7.068 7.441 ( 3.654 -0.149 2.120) 4.227 7.680 ( -0.374 2.451 0.719) 2.581 7.836 ( 8.391 2.096 -6.077) 10.571 7.914 ( 6.526 2.057 -2.749) 7.374 8.037 ( -0.544 5.636 0.581) 5.692 8.195 ( 2.810 0.023 1.610) 3.238 8.279 ( 5.613 3.552 0.550) 6.666 8.442 ( -0.309 -5.237 3.216) 6.154 8.456 ( -0.181 1.973 -2.562) 3.239 8.526 ( 0.735 -0.836 -0.704) 1.317 8.727 ( 2.645 -1.577 -2.284) 3.834 8.764 ( -3.166 4.229 -2.213) 5.728 8.886 ( 0.433 -2.712 1.913) 3.347 9.037 ( -0.908 -2.382 -4.288) 4.989 9.125 ( -3.412 -1.619 -1.867) 4.213 9.156 ( 4.172 -2.180 2.632) 5.393 9.541 ( -3.418 0.063 -0.437) 3.446 9.756 ( 1.374 -2.578 -7.052) 7.633 9.761 ( 2.582 -1.191 -3.569) 4.563 9.937 ( 1.627 -2.068 5.591) 6.179 9.958 ( 0.962 -2.072 5.724) 6.163 10.292 ( -1.055 -0.985 4.660) 4.879 10.380 ( -0.302 -2.694 -1.978) 3.356 10.602 ( -8.849 -0.443 0.381) 8.869 10.700 ( -3.327 -3.879 1.339) 5.283 10.965 ( -0.963 0.441 -4.394) 4.519 11.045 ( -0.743 -3.104 -5.004) 5.935 11.364 ( 10.591 7.246 1.204) 12.889 11.536 ( 1.063 -0.434 -7.312) 7.402 11.680 ( 2.782 0.158 -14.838) 15.097 11.802 ( 7.220 -7.930 0.832) 10.756 12.138 ( -2.844 4.083 2.538) 5.586 12.404 ( -0.262 -0.245 -2.249) 2.278 12.459 ( -0.581 -4.725 -1.367) 4.953 12.690 ( -1.920 3.046 4.358) 5.653 12.789 ( 1.459 -2.472 0.630) 2.938 12.965 ( 0.731 0.966 -1.902) 2.255 13.155 ( 1.917 0.220 2.276) 2.984 13.547 ( 0.624 2.256 -2.411) 3.361 14.365 ( -2.024 1.779 -4.819) 5.521 14.575 ( 4.634 0.705 -1.735) 4.998 15.142 ( -2.564 -0.076 6.689) 7.164 15.880 ( 0.850 -3.928 4.572) 6.087 16.795 ( 6.569 -0.281 1.437) 6.730 17.583 ( -1.593 -0.752 16.383) 16.478 18.457 ( 0.625 -3.637 2.875) 4.678 18.959 ( 1.592 1.136 3.354) 3.883 19.172 ( -9.486 -1.467 -15.512) 18.242 19.488 ( -1.739 -3.552 7.181) 8.198 19.959 ( 12.145 -3.452 0.057) 12.626 21.333 ( -0.515 0.137 0.710) 0.888 21.415 ( 3.945 0.442 -1.506) 4.245 21.630 ( -3.564 0.966 0.967) 3.817 22.329 ( -8.103 5.345 -3.164) 10.210 22.428 ( 3.694 1.942 -3.572) 5.494 ======================= Grid point 115 (58/97) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.373 -2.131 8.248) 8.527 2.384 ( 3.711 -10.301 11.828) 16.118 2.550 ( 9.094 -8.159 8.763) 15.035 2.694 ( -6.212 2.742 14.304) 15.833 2.988 ( -7.216 0.441 6.164) 9.500 3.186 ( 0.842 -4.270 7.194) 8.408 3.205 ( -2.010 0.576 5.119) 5.530 3.346 ( -5.938 2.610 8.235) 10.483 3.626 ( -0.980 -2.228 -3.277) 4.083 3.707 ( 4.005 -1.419 -0.313) 4.261 3.885 ( 1.796 -0.635 0.607) 2.000 3.910 ( 0.146 -4.179 -8.781) 9.726 4.055 ( 3.989 2.981 3.030) 5.830 4.077 ( -1.664 3.507 -1.370) 4.116 4.136 ( -2.315 3.862 -1.221) 4.665 4.236 ( 9.660 1.036 5.656) 11.242 4.358 ( -2.199 -1.447 -1.155) 2.874 4.472 ( -0.923 1.184 -2.771) 3.151 4.812 ( 2.971 0.004 -3.149) 4.330 5.068 ( -2.277 1.336 1.814) 3.203 5.088 ( -8.470 5.465 7.040) 12.295 5.126 ( 0.654 -0.232 -1.226) 1.409 5.342 ( -6.829 6.153 0.638) 9.214 5.513 ( -3.363 1.283 -5.383) 6.476 5.543 ( 0.125 0.079 1.344) 1.352 5.734 ( -2.571 -1.739 -5.174) 6.033 5.784 ( -2.951 3.888 0.138) 4.883 5.827 ( -0.159 6.077 0.935) 6.150 6.023 ( -2.235 5.467 -8.421) 10.286 6.074 ( 6.346 3.085 -2.389) 7.450 6.150 ( 3.008 0.377 -9.937) 10.389 6.303 ( 4.723 1.867 -1.518) 5.300 6.589 ( 0.367 -0.714 -1.543) 1.739 6.651 ( 1.559 -0.178 4.446) 4.715 6.662 ( 3.202 -4.268 0.013) 5.335 6.754 ( 2.534 1.388 -4.507) 5.353 6.854 ( 7.027 3.477 5.740) 9.716 6.950 ( -10.290 -3.596 0.079) 10.901 7.079 ( -2.846 -0.749 -2.022) 3.571 7.144 ( -3.917 -7.105 -6.236) 10.233 7.371 ( -2.639 -6.164 -3.150) 7.409 7.534 ( 9.649 -3.625 -0.671) 10.330 7.701 ( 3.370 3.424 5.213) 7.089 7.857 ( 3.098 4.511 -4.545) 7.113 7.884 ( -1.146 5.483 -3.579) 6.647 7.967 ( -0.587 4.076 -1.022) 4.243 8.206 ( -0.838 1.808 0.320) 2.018 8.284 ( -2.482 1.771 -1.812) 3.547 8.365 ( -1.216 4.746 -1.254) 5.057 8.464 ( 1.452 3.399 -5.430) 6.569 8.512 ( -1.444 -1.032 4.254) 4.609 8.681 ( 3.046 7.742 0.037) 8.320 8.755 ( 0.159 -2.259 -2.355) 3.268 8.992 ( 4.646 -3.097 4.483) 7.161 9.055 ( 0.654 -3.246 -3.186) 4.595 9.140 ( -0.213 -3.366 2.197) 4.025 9.227 ( 0.037 -4.042 -2.975) 5.019 9.514 ( -2.138 -2.578 -0.340) 3.366 9.781 ( 2.559 -0.800 -4.154) 4.944 9.817 ( 2.878 -2.370 -1.396) 3.981 10.017 ( 1.538 -1.539 7.334) 7.650 10.059 ( 1.868 -4.382 1.466) 4.984 10.347 ( 0.565 -3.783 3.505) 5.188 10.386 ( -2.031 -2.366 -2.267) 3.855 10.568 ( -4.023 -7.459 5.164) 9.924 10.722 ( -3.229 -4.087 3.348) 6.192 10.896 ( -3.147 0.189 -2.843) 4.245 11.042 ( -2.092 -5.046 -6.060) 8.159 11.409 ( 8.482 8.439 -2.022) 12.135 11.494 ( 0.021 0.796 -9.387) 9.421 11.623 ( -0.009 -0.359 -13.395) 13.400 12.030 ( 5.934 -7.453 1.983) 9.731 12.072 ( -0.670 3.698 3.458) 5.107 12.364 ( -0.814 1.006 -3.297) 3.542 12.536 ( 0.298 -5.781 0.457) 5.807 12.653 ( -1.795 1.088 4.622) 5.076 12.855 ( 4.211 -1.394 -0.241) 4.442 12.948 ( 0.488 2.571 0.153) 2.621 13.175 ( -0.822 0.895 2.047) 2.380 13.501 ( -1.122 3.268 -0.067) 3.456 14.296 ( 3.730 3.988 -10.211) 11.580 14.605 ( 2.517 0.938 -2.837) 3.907 15.128 ( -3.335 0.029 4.766) 5.817 15.964 ( -0.531 -3.839 6.043) 7.179 16.925 ( 9.459 1.365 1.248) 9.638 17.569 ( -6.916 0.915 6.068) 9.246 18.535 ( -1.298 -5.693 2.091) 6.202 19.017 ( 2.316 -2.994 4.447) 5.840 19.047 ( -2.982 -1.947 -10.317) 10.914 19.548 ( 1.139 0.081 6.720) 6.816 20.229 ( 12.930 -9.349 2.309) 16.122 21.342 ( 0.660 1.946 2.785) 3.461 21.451 ( 2.859 2.111 -1.208) 3.753 21.516 ( -7.060 3.055 -1.025) 7.761 22.096 ( -8.443 5.833 -3.864) 10.965 22.413 ( 1.416 1.913 -5.670) 6.149 ======================= Grid point 116 (59/97) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( -3.827 -4.424 5.736) 8.193 2.343 ( -12.694 7.634 10.675) 18.259 2.592 ( -8.291 3.922 21.232) 23.128 2.823 ( -1.697 -13.354 10.461) 17.048 3.051 ( 4.567 -3.172 6.782) 8.770 3.161 ( -2.059 -1.878 3.855) 4.757 3.295 ( -0.296 2.209 3.163) 3.869 3.433 ( 5.439 -3.094 8.782) 10.783 3.607 ( -0.349 1.392 -0.072) 1.437 3.726 ( -0.506 2.420 0.275) 2.488 3.843 ( -6.209 0.927 -1.508) 6.456 3.905 ( -1.195 6.527 -1.629) 6.832 3.982 ( -2.746 4.616 -3.171) 6.237 4.055 ( 1.455 -1.444 -0.654) 2.152 4.123 ( 3.773 2.607 0.722) 4.642 4.329 ( 0.952 2.804 -0.882) 3.089 4.375 ( 9.636 4.721 1.975) 10.911 4.477 ( -0.214 -3.365 -0.870) 3.482 4.799 ( -2.187 4.533 2.324) 5.544 4.888 ( -0.416 -1.646 -1.262) 2.116 5.089 ( 2.704 -2.801 1.659) 4.232 5.178 ( -0.949 -4.872 0.574) 4.996 5.231 ( -0.506 1.513 -5.410) 5.640 5.437 ( -5.444 -1.677 -4.609) 7.327 5.550 ( 0.590 -0.027 -0.271) 0.650 5.696 ( 1.357 -0.302 -6.766) 6.907 5.788 ( 0.720 5.325 3.465) 6.394 5.798 ( 5.548 -4.276 -0.621) 7.032 5.887 ( -5.237 1.073 -2.692) 5.986 6.056 ( 0.996 0.750 -10.527) 10.600 6.186 ( 5.818 0.786 -4.042) 7.127 6.341 ( 1.854 -1.217 -2.562) 3.388 6.569 ( -1.427 0.171 -0.487) 1.517 6.673 ( -0.320 -1.586 1.000) 1.902 6.720 ( 3.966 2.906 -0.345) 4.929 6.817 ( -4.334 -0.472 -0.570) 4.396 6.857 ( 2.977 -2.008 1.164) 3.775 6.954 ( 6.487 2.434 5.525) 8.862 7.036 ( -2.187 1.290 -3.491) 4.317 7.181 ( 0.854 -6.863 -5.431) 8.794 7.326 ( -6.414 -3.090 -5.608) 9.063 7.638 ( -7.777 1.780 -7.233) 10.768 7.701 ( 1.955 5.799 -1.404) 6.278 7.796 ( 5.315 2.173 -1.441) 5.920 7.849 ( 4.724 -2.045 2.887) 5.901 7.912 ( 0.931 3.906 2.398) 4.676 8.105 ( -4.229 3.807 -0.685) 5.731 8.195 ( -5.481 -0.114 -4.205) 6.909 8.328 ( 3.182 5.419 2.376) 6.718 8.433 ( 3.818 2.883 -5.697) 7.439 8.502 ( -1.899 2.680 7.476) 8.166 8.650 ( 3.988 7.503 2.687) 8.912 8.785 ( 0.305 -2.298 0.285) 2.335 9.095 ( 0.560 -3.438 -3.090) 4.656 9.102 ( 2.666 -0.463 4.380) 5.149 9.185 ( -0.500 -4.010 -1.838) 4.439 9.254 ( -1.072 -4.731 -4.524) 6.633 9.528 ( -0.662 -3.524 -1.082) 3.746 9.806 ( 2.102 -0.007 -2.550) 3.305 9.867 ( 1.142 -1.180 0.056) 1.643 10.075 ( -2.441 -0.379 2.127) 3.260 10.097 ( -1.479 -1.426 4.052) 4.543 10.347 ( -4.462 -2.035 -1.367) 5.091 10.416 ( 0.255 -1.654 1.704) 2.388 10.679 ( 1.063 -3.467 5.438) 6.537 10.748 ( -3.278 -8.119 4.995) 10.081 10.857 ( 0.965 2.276 -1.004) 2.668 11.070 ( -5.058 -12.470 -5.961) 14.718 11.348 ( -0.595 6.272 -6.955) 9.384 11.466 ( 5.442 1.937 -8.009) 9.875 11.575 ( 1.993 -0.491 -10.816) 11.009 12.041 ( -0.719 1.154 2.609) 2.942 12.167 ( 1.472 -2.262 1.732) 3.207 12.334 ( 1.696 1.598 -3.983) 4.615 12.564 ( -0.387 2.916 4.091) 5.038 12.707 ( 1.026 -6.505 2.411) 7.013 12.895 ( -1.730 3.293 2.650) 4.567 12.964 ( 6.840 -0.815 -2.082) 7.196 13.103 ( -7.321 2.276 1.838) 7.884 13.452 ( -0.613 1.291 0.477) 1.507 14.276 ( 9.108 5.439 -11.407) 15.578 14.599 ( 0.238 0.643 -3.213) 3.285 15.096 ( -2.591 1.082 3.703) 4.647 16.018 ( -2.458 -2.983 5.791) 6.962 17.025 ( 5.753 3.996 4.479) 8.315 17.445 ( -7.964 1.955 -2.407) 8.546 18.596 ( -2.364 -5.748 4.182) 7.492 18.927 ( -5.628 -0.277 -9.980) 11.461 19.165 ( 6.688 -1.615 5.326) 8.701 19.574 ( -0.364 1.297 4.007) 4.227 20.582 ( 9.676 -11.596 2.446) 15.300 21.153 ( -14.625 8.556 3.935) 17.395 21.433 ( 3.660 2.462 0.950) 4.512 21.525 ( 8.589 1.215 -2.209) 8.951 21.925 ( -6.418 1.033 -3.463) 7.366 22.382 ( 1.652 1.043 -5.940) 6.253 ======================= Grid point 117 (60/97) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -13.900 -3.012 7.582) 16.117 2.128 ( -10.038 6.923 10.832) 16.310 2.487 ( -14.067 10.691 24.302) 30.047 2.956 ( -4.489 -6.418 3.746) 8.682 3.091 ( -6.521 0.908 15.715) 17.038 3.226 ( 4.170 -1.350 1.138) 4.528 3.290 ( 0.022 1.768 3.078) 3.549 3.409 ( -7.620 1.063 1.764) 7.893 3.628 ( 3.602 2.265 4.938) 6.518 3.669 ( 1.067 3.881 -3.326) 5.221 3.724 ( -1.903 4.913 6.439) 8.320 3.852 ( 0.604 -0.094 3.034) 3.095 3.879 ( -2.165 2.395 -2.349) 3.992 4.102 ( 0.580 1.897 -0.838) 2.154 4.163 ( 4.648 -3.862 1.217) 6.165 4.310 ( 1.079 1.812 -0.603) 2.194 4.389 ( 3.555 5.594 -1.264) 6.747 4.520 ( 1.642 -2.565 -2.536) 3.963 4.826 ( 3.481 -0.744 -1.299) 3.789 4.983 ( 6.942 -2.140 -5.407) 9.055 5.144 ( -7.291 -2.555 -2.685) 8.179 5.167 ( -0.239 -0.804 0.622) 1.045 5.274 ( 5.197 -7.795 -3.503) 10.002 5.442 ( 3.933 -5.051 -2.390) 6.833 5.594 ( 6.659 -0.757 -3.040) 7.359 5.702 ( 1.613 -0.324 -2.531) 3.019 5.743 ( -0.077 1.413 1.695) 2.208 5.805 ( -2.287 0.824 -4.077) 4.747 5.992 ( 7.065 -8.905 -2.353) 11.608 6.050 ( 2.535 -3.082 -6.351) 7.500 6.192 ( -1.255 1.620 -0.448) 2.098 6.354 ( -3.880 -5.627 -2.784) 7.380 6.586 ( 1.850 0.197 -0.353) 1.893 6.667 ( -1.799 3.590 0.927) 4.121 6.709 ( -1.200 -0.446 3.917) 4.121 6.777 ( 2.555 -0.064 -1.050) 2.763 6.873 ( -10.078 4.867 -7.203) 13.310 6.960 ( 6.246 1.851 3.128) 7.227 7.036 ( 4.576 1.670 1.966) 5.252 7.262 ( 5.086 -1.541 -7.325) 9.049 7.285 ( -1.937 -5.087 -0.150) 5.446 7.419 ( -6.614 4.315 -2.822) 8.386 7.640 ( -0.454 2.072 -6.231) 6.582 7.836 ( 3.857 0.681 1.107) 4.070 7.880 ( -0.893 1.251 2.600) 3.021 7.961 ( 2.221 6.171 -1.709) 6.778 8.069 ( -2.061 -5.150 1.105) 5.656 8.122 ( 1.357 -0.662 -0.279) 1.536 8.342 ( 5.299 4.110 3.145) 7.406 8.429 ( 2.696 1.465 -4.955) 5.828 8.488 ( -0.157 3.207 8.048) 8.665 8.637 ( 2.743 4.704 5.436) 7.694 8.805 ( -0.397 0.396 0.607) 0.826 9.069 ( -5.369 1.841 0.090) 5.676 9.135 ( -2.090 -3.532 -2.349) 4.728 9.185 ( -3.516 -4.127 -5.368) 7.630 9.289 ( 2.570 -2.521 -5.135) 6.271 9.571 ( 2.135 -2.079 -2.057) 3.621 9.797 ( -2.060 0.723 -0.370) 2.214 9.884 ( -0.317 0.296 0.111) 0.448 9.973 ( -5.268 2.857 -2.163) 6.371 10.111 ( -2.915 -0.936 3.614) 4.736 10.312 ( -2.216 -1.702 0.671) 2.874 10.405 ( -2.575 1.159 0.953) 2.981 10.699 ( 0.012 1.016 2.400) 2.606 10.826 ( -1.237 -0.422 -1.224) 1.791 10.889 ( 4.244 -0.422 1.566) 4.544 11.117 ( -10.897 -16.517 -2.094) 19.898 11.231 ( 0.729 3.981 -4.954) 6.397 11.510 ( 7.576 -0.190 -8.691) 11.531 11.585 ( 5.538 -0.701 -10.162) 11.594 12.001 ( -6.105 3.934 3.500) 8.062 12.176 ( -0.014 -0.475 -2.161) 2.213 12.337 ( 3.283 0.920 -2.885) 4.466 12.519 ( 3.019 8.547 0.883) 9.108 12.793 ( -4.512 -3.757 4.131) 7.179 12.834 ( -2.214 1.124 2.311) 3.391 12.964 ( -5.263 0.276 0.334) 5.280 13.071 ( 4.321 -1.359 -1.482) 4.765 13.463 ( 1.871 -1.278 0.093) 2.268 14.307 ( 10.304 4.334 -8.157) 13.838 14.563 ( -2.188 0.280 -2.379) 3.245 15.073 ( -0.521 1.864 4.722) 5.104 16.010 ( -5.669 -0.957 2.746) 6.371 17.022 ( -6.070 2.262 6.271) 9.016 17.283 ( -1.390 8.048 -0.205) 8.169 18.610 ( -4.777 -0.054 2.153) 5.240 18.834 ( -2.617 -2.955 -3.079) 5.006 19.309 ( 7.548 -1.369 2.538) 8.080 19.553 ( -2.402 1.294 4.061) 4.892 20.485 ( -18.137 9.376 -10.688) 23.046 21.131 ( 4.065 -6.538 9.099) 11.919 21.444 ( 1.304 1.894 -0.798) 2.434 21.722 ( 14.620 -1.783 -0.600) 14.740 21.829 ( -1.960 -1.546 1.231) 2.783 22.387 ( 2.860 -0.837 -4.295) 5.227 ======================= Grid point 118 (61/97) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -11.611 -4.030 14.802) 19.240 1.905 ( -10.291 16.263 14.639) 24.180 2.134 ( -22.706 7.333 12.757) 27.056 2.899 ( -6.489 0.630 -0.653) 6.552 3.170 ( -1.023 -1.282 28.921) 28.968 3.244 ( -1.961 -1.749 1.446) 2.999 3.308 ( -3.482 -1.402 6.661) 7.646 3.382 ( 4.527 0.155 -1.471) 4.763 3.631 ( -0.259 0.603 -2.441) 2.527 3.673 ( 1.807 1.105 4.407) 4.889 3.705 ( -1.064 2.251 -3.169) 4.030 3.818 ( 5.050 4.238 3.144) 7.304 3.933 ( 0.952 -3.015 6.725) 7.431 4.117 ( 2.428 -1.435 -3.378) 4.401 4.236 ( -2.776 -1.773 0.145) 3.297 4.309 ( -0.241 -0.428 -1.400) 1.484 4.382 ( 5.215 4.049 -1.694) 6.816 4.532 ( -0.956 -2.641 -4.624) 5.410 4.863 ( 1.545 -0.779 -3.972) 4.333 5.012 ( 3.415 3.195 -5.262) 7.040 5.049 ( -4.734 -1.343 -1.576) 5.167 5.179 ( 0.811 -0.635 1.212) 1.590 5.457 ( 3.219 -8.684 -0.526) 9.276 5.592 ( 7.191 -3.822 -3.739) 8.961 5.653 ( -2.388 2.145 -3.274) 4.585 5.709 ( 7.370 0.927 -2.882) 7.968 5.779 ( 5.504 -1.786 2.680) 6.377 5.867 ( 7.976 -4.560 -5.481) 10.699 6.065 ( 0.066 -2.060 -2.620) 3.334 6.129 ( -4.924 -0.948 -1.351) 5.193 6.212 ( 3.538 -9.356 -1.377) 10.097 6.355 ( -4.424 -4.227 -3.109) 6.863 6.499 ( -4.578 5.818 2.484) 7.809 6.592 ( -2.130 2.001 -3.627) 4.658 6.698 ( -0.982 -4.358 0.094) 4.468 6.727 ( -1.709 1.273 -1.160) 2.426 6.862 ( 3.297 -0.353 7.066) 7.805 7.020 ( 5.317 4.230 -0.935) 6.859 7.042 ( 0.882 6.094 1.939) 6.456 7.253 ( 1.167 4.650 1.413) 4.998 7.306 ( 2.283 -1.374 -7.976) 8.409 7.382 ( -2.290 -2.512 1.165) 3.593 7.622 ( 5.200 -2.569 -7.272) 9.302 7.792 ( -0.535 4.939 -3.561) 6.112 7.924 ( 2.441 -1.543 2.314) 3.700 7.956 ( 2.094 -1.263 3.923) 4.623 8.074 ( -4.903 -2.714 0.358) 5.615 8.181 ( 2.648 -2.876 -0.724) 3.976 8.378 ( 5.997 8.789 0.715) 10.664 8.444 ( 1.250 -2.529 -1.202) 3.066 8.505 ( 0.186 1.454 5.588) 5.777 8.639 ( -1.662 1.100 -1.178) 2.315 8.780 ( 3.482 5.015 6.924) 9.231 8.958 ( -5.448 0.875 3.214) 6.386 9.104 ( -4.884 -4.529 -8.107) 10.492 9.142 ( -3.480 -0.298 -3.309) 4.812 9.295 ( 0.639 0.849 -7.767) 7.840 9.609 ( 1.070 -1.644 -1.791) 2.657 9.751 ( -1.350 0.422 -1.070) 1.774 9.809 ( -4.147 4.465 2.888) 6.743 9.900 ( -0.302 0.501 -5.317) 5.349 10.064 ( -6.475 -0.537 0.560) 6.522 10.319 ( -2.120 -1.027 1.851) 2.996 10.360 ( 0.038 1.109 0.348) 1.163 10.702 ( -0.683 0.238 1.141) 1.351 10.805 ( 3.070 0.686 -0.950) 3.286 10.907 ( 2.665 2.567 -0.062) 3.701 11.068 ( -5.632 0.858 -8.583) 10.301 11.299 ( -3.528 -13.219 5.011) 14.571 11.575 ( 5.234 -0.507 -10.437) 11.687 11.639 ( 7.163 0.536 -8.592) 11.199 11.757 ( -8.168 12.492 -0.088) 14.925 12.204 ( -0.465 -4.650 -1.601) 4.940 12.356 ( 2.986 2.974 -0.864) 4.302 12.484 ( 3.738 3.853 -2.508) 5.925 12.741 ( -7.225 -1.846 5.784) 9.438 12.782 ( -1.780 2.534 0.817) 3.203 12.967 ( 0.366 -1.913 -0.012) 1.948 13.107 ( 0.752 -0.068 -0.763) 1.073 13.529 ( 3.599 -2.387 -3.119) 5.327 14.389 ( 8.700 0.954 -2.488) 9.099 14.505 ( -3.972 0.062 -0.690) 4.032 15.088 ( 0.695 1.005 6.973) 7.079 15.903 ( -6.817 2.798 1.253) 7.475 16.859 ( -11.891 0.746 1.860) 12.059 17.276 ( 6.767 6.691 16.067) 18.674 18.519 ( -5.055 1.098 -0.958) 5.261 18.863 ( 0.449 -1.914 3.637) 4.135 19.432 ( -2.071 -6.891 0.546) 7.216 19.557 ( 8.259 4.686 3.377) 10.078 19.986 ( -20.916 9.335 -12.181) 25.942 21.280 ( 3.887 -2.198 3.417) 5.623 21.416 ( -1.793 1.169 -0.902) 2.322 21.711 ( -3.876 -0.887 -3.092) 5.037 22.130 ( 17.958 -4.173 3.918) 18.848 22.433 ( 2.374 -2.350 -2.721) 4.309 ======================= Grid point 120 (62/97) ======================= q-point: ( 0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.534 0.000 7.231) 7.250 2.120 ( 9.182 0.000 16.344) 18.746 2.541 ( 22.719 0.000 11.089) 25.281 2.720 ( -0.969 -0.000 6.369) 6.442 3.008 ( -8.194 -0.000 4.426) 9.313 3.104 ( -8.517 -0.000 11.206) 14.075 3.239 ( -10.121 -0.000 4.225) 10.968 3.400 ( -5.541 -0.000 11.626) 12.878 3.526 ( 4.105 0.000 -9.327) 10.191 3.703 ( 4.453 0.000 -1.866) 4.829 3.856 ( 5.188 0.000 -5.301) 7.417 3.859 ( -7.076 -0.000 1.136) 7.166 4.098 ( 2.854 0.000 4.588) 5.403 4.127 ( -1.664 -0.000 -4.836) 5.114 4.197 ( -5.900 -0.000 2.574) 6.437 4.257 ( 9.931 0.000 10.476) 14.435 4.289 ( 1.480 0.000 -1.696) 2.251 4.530 ( 1.302 0.000 -6.123) 6.260 4.808 ( 2.218 0.000 -3.498) 4.142 5.020 ( 0.129 0.000 0.409) 0.429 5.101 ( -8.290 -0.000 3.446) 8.978 5.214 ( 4.584 0.000 -0.386) 4.601 5.502 ( 1.042 0.000 -5.836) 5.928 5.512 ( -8.065 -0.000 -3.369) 8.740 5.577 ( -5.949 -0.000 5.961) 8.422 5.711 ( -7.451 -0.000 -4.882) 8.908 5.816 ( -0.134 -0.000 3.794) 3.796 5.990 ( -4.924 -0.000 0.322) 4.935 6.132 ( 5.191 0.000 -1.315) 5.355 6.135 ( 4.487 0.000 -17.687) 18.248 6.218 ( -0.743 -0.000 -5.794) 5.842 6.227 ( -10.492 -0.000 -2.488) 10.783 6.483 ( -1.476 -0.000 8.206) 8.338 6.611 ( -2.288 -0.000 -1.221) 2.594 6.666 ( 9.830 0.000 0.365) 9.837 6.813 ( 4.265 0.000 0.598) 4.307 6.834 ( -1.567 -0.000 -5.535) 5.752 6.931 ( 3.583 0.000 8.354) 9.091 7.037 ( -7.541 -0.000 -5.209) 9.166 7.160 ( 4.280 0.000 -1.889) 4.678 7.171 ( -3.052 -0.000 -4.455) 5.401 7.503 ( 3.161 0.000 -0.566) 3.212 7.727 ( 2.933 0.000 4.439) 5.321 7.923 ( 6.488 0.000 -8.134) 10.405 8.002 ( 2.462 0.000 -2.391) 3.432 8.061 ( -4.187 -0.000 1.333) 4.394 8.142 ( -1.592 -0.000 -2.523) 2.984 8.337 ( -7.513 -0.000 -3.161) 8.150 8.419 ( 0.152 0.000 -3.592) 3.595 8.463 ( -0.283 -0.000 0.641) 0.700 8.527 ( 0.385 0.000 -5.613) 5.626 8.800 ( 4.325 0.000 3.940) 5.851 8.802 ( 12.066 0.000 1.700) 12.185 8.896 ( 2.174 0.000 2.929) 3.648 9.009 ( 0.647 0.000 -2.297) 2.386 9.093 ( 0.886 0.000 2.768) 2.906 9.171 ( -1.021 -0.000 -3.340) 3.493 9.475 ( -4.256 -0.000 -0.666) 4.308 9.760 ( 5.780 0.000 -3.245) 6.629 9.783 ( 3.434 0.000 -3.302) 4.763 9.971 ( 0.591 0.000 4.503) 4.542 10.015 ( 3.149 0.000 7.298) 7.948 10.310 ( 0.017 0.000 5.860) 5.860 10.318 ( -2.917 -0.000 -1.344) 3.212 10.432 ( -7.666 -0.000 -1.117) 7.747 10.668 ( -1.157 -0.000 2.733) 2.968 10.954 ( -4.550 -0.000 -0.576) 4.586 10.957 ( 0.468 0.000 -5.559) 5.579 11.510 ( 0.949 0.000 -7.529) 7.589 11.543 ( 1.542 0.000 -11.976) 12.075 11.675 ( 6.720 0.000 -0.811) 6.769 11.853 ( 8.204 0.000 -0.261) 8.208 12.141 ( -2.751 -0.000 4.138) 4.969 12.392 ( -0.800 -0.000 -2.908) 3.016 12.404 ( 1.250 0.000 -2.995) 3.246 12.693 ( -3.911 -0.000 5.698) 6.911 12.826 ( 5.591 0.000 -0.674) 5.632 12.982 ( 2.094 0.000 -2.369) 3.162 13.183 ( -0.903 -0.000 3.323) 3.444 13.550 ( -1.843 -0.000 0.728) 1.982 14.338 ( 3.106 0.000 -11.156) 11.580 14.639 ( 4.342 0.000 -3.549) 5.608 15.115 ( -4.744 -0.000 5.615) 7.351 15.933 ( 4.597 0.000 6.483) 7.947 16.947 ( 12.173 0.000 0.052) 12.173 17.575 ( -9.548 -0.000 12.054) 15.378 18.453 ( -0.178 -0.000 0.094) 0.201 18.977 ( -3.103 -0.000 -4.351) 5.344 18.995 ( 0.780 0.000 0.186) 0.802 19.573 ( 5.949 0.000 9.772) 11.440 20.101 ( 11.290 0.000 -2.655) 11.598 21.357 ( 1.912 0.000 2.235) 2.942 21.457 ( 3.539 0.000 -4.510) 5.733 21.562 ( -7.849 -0.000 2.343) 8.192 22.171 ( -12.577 -0.000 -4.779) 13.454 22.467 ( 2.163 0.000 -4.525) 5.016 ======================= Grid point 121 (63/97) ======================= q-point: ( 0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( -0.386 0.500 6.342) 6.373 2.375 ( 5.598 -7.419 9.887) 13.570 2.639 ( -6.627 8.257 7.738) 13.114 2.763 ( -2.001 3.011 17.146) 17.523 2.976 ( -0.208 -2.537 9.144) 9.491 3.056 ( -5.068 -6.578 6.068) 10.285 3.286 ( 1.360 -0.980 5.992) 6.222 3.420 ( 5.373 2.143 13.641) 14.817 3.565 ( 2.229 -3.771 -4.964) 6.621 3.730 ( -3.960 0.245 -1.313) 4.179 3.788 ( -0.401 -2.242 0.285) 2.295 3.929 ( 6.335 -1.843 -9.987) 11.969 4.069 ( -0.818 0.436 -4.725) 4.815 4.108 ( -4.664 1.323 0.382) 4.863 4.171 ( 5.426 1.087 -0.672) 5.575 4.300 ( -0.063 -0.392 -2.450) 2.482 4.401 ( 2.777 0.341 4.658) 5.434 4.564 ( 11.308 4.474 -0.189) 12.162 4.838 ( 3.499 -0.526 -4.052) 5.380 4.980 ( -7.771 -0.882 5.563) 9.598 5.083 ( 1.736 -1.891 2.050) 3.285 5.214 ( -2.658 10.730 1.010) 11.101 5.281 ( -9.045 4.515 -0.762) 10.138 5.401 ( -7.432 1.188 -5.935) 9.585 5.563 ( 2.106 -0.665 0.298) 2.229 5.622 ( -6.037 -5.005 -2.369) 8.192 5.780 ( -7.343 4.126 0.122) 8.424 5.859 ( -1.136 -0.420 5.006) 5.151 6.025 ( -3.930 5.390 -8.003) 10.419 6.103 ( 0.173 -0.168 -14.500) 14.502 6.200 ( 3.226 -1.571 -1.572) 3.918 6.237 ( 1.854 -1.139 -5.215) 5.651 6.527 ( -2.168 -1.579 0.441) 2.718 6.576 ( -3.866 -5.633 3.257) 7.568 6.797 ( 4.304 2.330 -7.730) 9.149 6.832 ( 5.187 0.343 0.539) 5.226 6.837 ( 0.875 1.473 3.970) 4.324 6.937 ( -5.470 -6.439 -5.957) 10.338 7.048 ( 6.762 0.853 8.474) 10.875 7.089 ( 2.409 3.548 -2.772) 5.106 7.244 ( -1.718 -3.745 -4.822) 6.343 7.560 ( 2.505 -3.550 -2.917) 5.233 7.775 ( -1.258 -0.471 4.534) 4.729 7.926 ( 0.917 4.903 -5.719) 7.588 7.938 ( -0.009 6.183 -3.723) 7.218 7.981 ( -1.144 1.363 -1.362) 2.241 8.109 ( -4.132 -2.108 -6.178) 7.726 8.191 ( -5.981 0.309 -2.720) 6.578 8.408 ( -1.589 -3.246 -3.664) 5.147 8.438 ( -1.022 1.519 -0.675) 1.951 8.500 ( -1.289 0.142 2.282) 2.625 8.882 ( 8.072 6.086 4.315) 10.992 8.887 ( 6.786 7.846 3.938) 11.096 9.016 ( 0.780 -1.662 -2.796) 3.345 9.051 ( 3.865 -2.892 1.279) 4.993 9.121 ( 0.279 -2.418 -4.731) 5.320 9.156 ( 1.461 -2.208 2.308) 3.512 9.430 ( -2.730 -2.723 -0.755) 3.929 9.817 ( 3.537 0.746 -2.623) 4.466 9.842 ( 2.883 -0.636 0.404) 2.980 10.014 ( 0.138 -3.006 2.500) 3.912 10.087 ( 1.110 0.770 7.030) 7.159 10.296 ( -1.062 -1.808 0.469) 2.149 10.383 ( 0.646 -6.357 6.724) 9.276 10.405 ( -0.669 -3.820 0.559) 3.918 10.669 ( -0.754 -0.690 3.181) 3.341 10.874 ( -5.059 -1.176 0.563) 5.225 10.955 ( 1.017 0.745 -3.344) 3.574 11.421 ( -2.461 2.172 -11.149) 11.622 11.503 ( 1.360 -2.557 -10.319) 10.718 11.713 ( 7.318 10.012 -0.051) 12.401 12.027 ( 4.311 -6.102 0.814) 7.516 12.108 ( -1.528 1.536 3.444) 4.069 12.366 ( 1.745 1.253 -3.717) 4.293 12.464 ( 1.502 -6.313 -1.169) 6.593 12.657 ( -3.692 0.624 6.354) 7.375 12.923 ( 5.779 -0.552 -0.620) 5.838 12.996 ( 3.434 1.797 -2.608) 4.671 13.146 ( -6.274 0.945 3.121) 7.071 13.499 ( -3.731 1.532 1.680) 4.369 14.347 ( 6.191 0.580 -11.248) 12.852 14.659 ( 4.456 2.538 -7.371) 8.979 15.076 ( -4.622 -1.290 4.022) 6.261 16.047 ( 6.406 2.440 8.189) 10.679 17.118 ( 11.225 2.638 0.501) 11.541 17.441 ( -12.808 -1.128 2.906) 13.182 18.460 ( -0.273 -3.551 -0.573) 3.607 18.951 ( -1.484 2.246 -1.599) 3.131 19.050 ( 2.630 -5.083 3.170) 6.542 19.697 ( 6.895 4.934 8.308) 11.870 20.308 ( 11.553 -7.493 0.665) 13.786 21.293 ( -15.001 2.524 1.517) 15.287 21.479 ( 2.049 0.239 -3.483) 4.049 21.508 ( 4.426 -0.858 0.273) 4.517 21.953 ( -10.921 0.826 -4.869) 11.985 22.456 ( 2.910 2.971 -5.540) 6.927 ======================= Grid point 122 (64/97) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -4.034 1.880 4.856) 6.587 2.349 ( -9.341 10.851 10.470) 17.738 2.627 ( -0.911 -4.989 13.909) 14.805 2.785 ( -2.836 2.266 21.384) 21.690 3.116 ( 3.823 -5.793 5.561) 8.893 3.142 ( -0.078 -1.354 9.790) 9.883 3.293 ( -2.453 -2.674 3.924) 5.345 3.463 ( -2.944 3.649 -1.995) 5.095 3.640 ( -4.582 -5.311 4.168) 8.159 3.687 ( 3.289 0.692 2.789) 4.367 3.790 ( 0.245 1.627 -4.190) 4.502 3.910 ( -4.212 1.957 -1.432) 4.860 4.029 ( 1.170 3.218 -7.279) 8.044 4.085 ( 2.863 0.198 3.455) 4.492 4.193 ( 2.329 2.242 -8.704) 9.285 4.276 ( -1.782 -1.655 -2.742) 3.664 4.456 ( 0.221 0.189 1.400) 1.430 4.619 ( 1.833 11.032 3.223) 11.638 4.865 ( 2.143 4.050 -1.037) 4.698 4.883 ( 4.986 -2.799 0.313) 5.726 5.060 ( -4.845 -1.090 1.496) 5.187 5.143 ( 1.527 -1.387 1.918) 2.817 5.234 ( 1.449 1.039 -4.434) 4.779 5.312 ( 0.634 -3.592 -5.591) 6.676 5.550 ( -6.868 -2.602 -0.478) 7.360 5.625 ( 3.183 -2.291 -0.489) 3.952 5.742 ( -1.732 -6.060 0.311) 6.310 5.863 ( -2.162 3.736 -4.073) 5.935 5.903 ( 3.577 2.409 1.155) 4.464 6.035 ( 1.814 1.302 -10.786) 11.015 6.204 ( -3.405 -3.426 -1.742) 5.134 6.251 ( -0.115 2.599 -4.347) 5.066 6.492 ( -2.330 -5.229 -2.219) 6.139 6.629 ( -1.765 -4.008 1.500) 4.629 6.761 ( -4.867 0.343 2.797) 5.624 6.800 ( 2.313 0.012 -4.619) 5.166 6.910 ( -5.364 -4.069 -6.077) 9.070 7.000 ( 5.691 -0.053 4.871) 7.491 7.067 ( 3.979 3.521 -2.677) 5.950 7.174 ( 1.880 -1.667 -1.317) 2.837 7.206 ( 3.870 -1.212 -1.084) 4.198 7.515 ( -4.671 2.754 -4.215) 6.868 7.800 ( -0.984 7.831 -5.569) 9.660 7.817 ( -1.084 -5.609 0.088) 5.713 7.898 ( 1.829 3.262 -2.979) 4.782 7.965 ( -1.456 0.209 3.187) 3.510 8.044 ( -0.679 -0.355 -3.687) 3.766 8.128 ( -0.001 0.315 -0.560) 0.643 8.389 ( -0.700 -0.176 -3.745) 3.814 8.418 ( -0.500 -1.438 -1.526) 2.155 8.517 ( -0.928 -0.681 6.602) 6.702 8.892 ( 4.594 8.057 4.156) 10.163 8.923 ( 7.867 10.025 4.296) 13.448 8.992 ( -5.293 -3.464 -8.085) 10.265 9.053 ( -1.871 -2.417 -1.919) 3.609 9.145 ( -1.617 -2.087 -2.757) 3.817 9.251 ( 5.364 -0.179 3.049) 6.173 9.470 ( 0.892 -4.996 0.044) 5.075 9.818 ( 0.311 1.045 -2.903) 3.101 9.880 ( 1.695 -0.600 0.058) 1.799 10.028 ( -2.840 1.236 2.770) 4.155 10.105 ( -2.127 0.644 6.427) 6.800 10.305 ( 0.167 0.498 1.072) 1.194 10.436 ( 1.642 1.037 -0.117) 1.945 10.569 ( -1.270 -14.789 7.625) 16.688 10.718 ( 3.247 0.163 3.989) 5.146 10.845 ( -4.614 -3.635 -0.037) 5.874 10.928 ( 0.765 1.819 0.510) 2.039 11.332 ( 2.503 2.193 -10.713) 11.218 11.532 ( 4.831 -3.376 -10.781) 12.287 11.667 ( 5.721 10.641 -2.423) 12.322 12.035 ( -2.415 0.910 0.576) 2.644 12.158 ( -0.165 -2.112 2.315) 3.138 12.370 ( 3.410 1.238 -4.291) 5.619 12.565 ( 0.008 -5.132 2.962) 5.925 12.670 ( -0.144 -3.940 4.903) 6.291 12.917 ( -3.134 3.985 0.449) 5.089 12.998 ( -9.964 2.296 1.096) 10.284 13.065 ( 7.657 0.899 -3.249) 8.366 13.451 ( -1.280 0.375 0.948) 1.637 14.373 ( 3.755 0.261 -6.374) 7.402 14.633 ( 4.248 4.544 -9.900) 11.692 15.062 ( -2.551 -2.013 3.483) 4.763 16.120 ( 5.594 7.417 7.488) 11.932 17.119 ( -8.190 4.792 2.957) 9.939 17.363 ( 3.049 -1.159 -2.783) 4.287 18.542 ( 1.629 -4.949 4.389) 6.813 18.851 ( -3.016 4.495 -3.894) 6.668 19.174 ( 0.511 -6.727 2.258) 7.114 19.735 ( 7.104 9.667 4.672) 12.874 20.570 ( 2.315 -4.876 0.243) 5.403 20.997 ( -14.962 -1.009 5.270) 15.895 21.489 ( 2.026 0.702 -4.165) 4.684 21.643 ( 9.004 -3.919 -1.309) 9.906 21.791 ( -7.457 -0.733 -2.730) 7.975 22.432 ( 3.863 3.801 -5.098) 7.440 ======================= Grid point 123 (65/97) ======================= q-point: (-0.33 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( -3.789 3.920 6.958) 8.840 2.146 ( -7.702 10.111 12.783) 18.027 2.606 ( -9.586 16.049 22.048) 28.906 2.848 ( -3.256 -4.065 7.901) 9.463 3.135 ( -2.754 1.321 12.635) 12.999 3.203 ( -5.398 -0.228 4.119) 6.794 3.332 ( 1.187 -3.384 1.010) 3.726 3.375 ( -0.043 2.388 4.198) 4.830 3.620 ( -6.124 -3.088 -1.244) 6.971 3.712 ( -2.796 1.110 6.597) 7.251 3.774 ( 6.137 3.810 -2.238) 7.563 3.841 ( -1.280 -0.877 -0.462) 1.619 3.979 ( 4.586 4.148 -2.621) 6.716 4.111 ( 0.787 2.639 -8.079) 8.535 4.177 ( -0.085 -2.156 1.932) 2.896 4.263 ( -1.915 -2.880 -4.207) 5.446 4.374 ( -2.942 -1.133 -0.226) 3.161 4.591 ( 1.296 4.323 -0.830) 4.589 4.850 ( 1.242 0.619 -3.907) 4.146 4.997 ( -3.545 -1.668 1.876) 4.344 5.064 ( 5.810 -3.396 0.088) 6.730 5.188 ( 0.855 1.729 0.685) 2.047 5.233 ( 0.691 -4.621 -2.160) 5.147 5.424 ( 3.857 -7.130 -2.099) 8.374 5.550 ( 2.979 -6.901 -3.598) 8.333 5.727 ( 7.538 0.069 1.042) 7.610 5.755 ( -1.039 0.443 -0.663) 1.309 5.871 ( 1.097 -5.111 -2.953) 6.004 5.893 ( 0.420 -1.819 -3.705) 4.148 6.052 ( 3.170 -0.021 -3.398) 4.647 6.136 ( -6.376 -0.555 -2.030) 6.715 6.216 ( 1.692 -2.365 -1.403) 3.229 6.563 ( 1.534 -4.203 -6.690) 8.048 6.594 ( -10.321 -0.851 2.256) 10.599 6.661 ( -9.420 -3.123 -2.405) 10.211 6.775 ( -2.412 3.876 -1.689) 4.868 6.844 ( 4.283 -1.011 -1.362) 4.606 7.055 ( 5.648 -0.304 0.452) 5.674 7.177 ( 7.155 1.101 0.584) 7.263 7.229 ( 2.318 -5.020 -3.457) 6.521 7.319 ( 6.487 0.099 3.575) 7.408 7.403 ( -0.602 5.849 -1.601) 6.094 7.652 ( -3.305 4.790 -4.677) 7.466 7.812 ( -5.152 -3.542 -6.552) 9.056 7.894 ( 1.444 -0.009 1.335) 1.966 7.913 ( -3.452 -0.336 1.938) 3.973 8.049 ( 0.402 0.384 -2.007) 2.083 8.186 ( 5.416 1.570 2.572) 6.198 8.382 ( 0.602 -2.221 -2.939) 3.733 8.456 ( 4.049 -2.102 -0.704) 4.616 8.535 ( -2.158 0.333 6.623) 6.974 8.836 ( 1.492 10.325 0.511) 10.445 8.868 ( -6.486 -1.667 -5.218) 8.490 8.957 ( -0.710 0.937 1.807) 2.155 9.024 ( 1.111 2.318 1.202) 2.838 9.142 ( 0.301 -0.471 -2.805) 2.860 9.316 ( 3.412 1.288 -2.715) 4.547 9.540 ( -0.332 -3.879 0.354) 3.909 9.785 ( 0.504 1.536 -4.259) 4.555 9.905 ( 0.337 -0.454 -3.147) 3.198 9.946 ( -2.308 5.653 5.046) 7.922 10.068 ( -5.086 1.249 4.315) 6.786 10.318 ( 2.136 0.996 1.733) 2.926 10.411 ( -0.660 3.104 0.442) 3.204 10.738 ( -7.283 -11.355 4.206) 14.130 10.745 ( -2.235 1.344 2.309) 3.483 10.825 ( 4.522 -1.900 0.982) 5.003 10.999 ( 6.815 0.510 3.294) 7.587 11.310 ( 5.123 3.786 -9.796) 11.685 11.583 ( 3.613 1.039 -8.299) 9.111 11.629 ( 7.426 2.288 -8.603) 11.593 11.981 ( -4.078 3.384 2.567) 5.888 12.135 ( -3.393 -0.028 -1.532) 3.723 12.383 ( 3.127 0.976 -3.290) 4.642 12.625 ( 0.207 -1.512 3.638) 3.945 12.707 ( -5.388 4.720 1.456) 7.310 12.823 ( -1.199 -4.648 3.545) 5.968 12.880 ( -3.612 0.377 -0.987) 3.764 13.118 ( 3.120 1.241 -2.889) 4.430 13.461 ( 0.471 -1.904 0.523) 2.030 14.384 ( -1.136 -1.634 0.231) 2.003 14.575 ( 4.274 5.358 -10.605) 12.627 15.085 ( -0.514 -1.625 4.302) 4.627 16.091 ( 2.015 11.380 5.070) 12.620 16.907 ( -11.683 2.791 0.981) 12.052 17.435 ( 6.220 2.973 3.553) 7.756 18.596 ( -1.704 3.878 4.364) 6.081 18.789 ( 1.353 -2.287 0.285) 2.673 19.248 ( -2.150 -6.610 -1.500) 7.110 19.748 ( 9.736 9.982 3.398) 14.352 20.281 ( -20.544 11.347 -6.797) 24.434 21.121 ( 3.010 -10.932 9.306) 14.669 21.461 ( -1.186 1.735 -3.532) 4.110 21.681 ( -3.043 -1.290 -4.347) 5.461 21.913 ( 10.737 -10.597 1.347) 15.146 22.425 ( 3.504 2.496 -3.877) 5.791 ======================= Grid point 124 (66/97) ======================= q-point: (-0.17 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 1.096 1.665 8.808) 9.031 1.997 ( -1.893 9.914 12.958) 16.425 2.251 ( -7.105 28.111 20.295) 35.393 2.820 ( -6.101 0.497 3.555) 7.079 3.148 ( -5.494 -2.341 3.146) 6.750 3.217 ( -0.654 -3.685 6.936) 7.881 3.318 ( -7.155 -1.711 9.979) 12.398 3.410 ( -2.606 -0.040 12.965) 13.224 3.589 ( 0.461 -1.235 -2.539) 2.861 3.687 ( 0.060 2.281 -1.045) 2.510 3.825 ( 7.118 2.418 -1.034) 7.588 3.893 ( 3.093 -2.662 -0.048) 4.082 3.982 ( 1.926 2.668 1.977) 3.839 4.103 ( 1.621 -2.202 -5.699) 6.321 4.117 ( -8.042 -0.415 -0.479) 8.067 4.236 ( -3.147 -3.229 -4.412) 6.309 4.427 ( 1.969 -4.071 -3.792) 5.902 4.513 ( -1.236 5.026 1.622) 5.424 4.834 ( -0.941 -0.596 -4.229) 4.374 5.012 ( 2.099 -1.489 0.840) 2.707 5.113 ( 2.536 6.666 -3.051) 7.757 5.172 ( 0.489 -4.263 1.562) 4.567 5.357 ( -2.133 -11.223 5.519) 12.687 5.526 ( -1.711 -3.342 1.570) 4.069 5.669 ( 5.138 -3.651 -4.064) 7.500 5.780 ( 4.038 -1.636 -8.356) 9.424 5.819 ( 3.872 -1.412 -0.795) 4.198 5.933 ( 1.018 -6.032 -0.328) 6.126 5.967 ( -0.913 -1.064 0.266) 1.427 6.025 ( 1.581 -5.920 -3.101) 6.868 6.149 ( -0.608 -4.191 -5.420) 6.879 6.272 ( 1.884 -1.039 -2.447) 3.258 6.405 ( -5.223 -2.509 1.235) 5.924 6.572 ( -1.941 -2.065 1.694) 3.302 6.658 ( 1.958 -2.110 -2.533) 3.834 6.725 ( -0.476 1.325 -1.042) 1.751 6.892 ( 0.142 -0.700 -3.081) 3.162 7.153 ( 3.425 5.305 0.786) 6.363 7.189 ( 1.818 5.209 2.840) 6.205 7.269 ( 0.206 0.887 -4.321) 4.416 7.296 ( -2.073 2.050 -4.057) 4.996 7.412 ( 2.588 3.853 6.043) 7.620 7.610 ( 1.281 -7.028 -3.208) 7.831 7.757 ( 0.407 -0.766 -5.772) 5.837 7.879 ( -0.907 1.368 -0.538) 1.728 7.951 ( 1.215 -4.424 1.629) 4.869 8.073 ( 4.291 -1.664 0.737) 4.661 8.230 ( 3.217 1.508 -0.240) 3.561 8.426 ( 1.507 -2.910 -1.769) 3.725 8.508 ( -4.249 0.350 5.710) 7.126 8.546 ( 3.734 2.245 -1.796) 4.713 8.715 ( 1.308 6.502 0.695) 6.669 8.791 ( -6.023 -6.020 -6.734) 10.856 8.923 ( -1.772 2.812 3.900) 5.124 9.071 ( 6.973 3.871 3.737) 8.808 9.112 ( -1.273 1.884 -2.074) 3.078 9.260 ( -2.813 3.219 -8.530) 9.542 9.565 ( -1.597 -2.366 -0.098) 2.856 9.759 ( 2.166 1.857 -4.259) 5.126 9.830 ( -1.713 3.342 -2.605) 4.571 9.933 ( 2.525 4.013 2.225) 5.237 9.985 ( -5.148 1.744 4.769) 7.231 10.318 ( -0.905 3.159 3.045) 4.480 10.394 ( 2.265 1.142 -0.807) 2.661 10.680 ( -4.435 0.612 1.570) 4.745 10.756 ( -4.074 -4.378 1.973) 6.297 10.973 ( 8.174 0.228 -1.220) 8.268 11.078 ( 2.260 0.368 -1.052) 2.519 11.246 ( 1.169 4.913 -4.072) 6.487 11.570 ( 1.386 -0.209 -8.968) 9.077 11.678 ( 6.156 -0.820 -13.324) 14.700 11.841 ( -0.286 10.193 3.265) 10.707 12.114 ( -2.421 -4.471 -1.273) 5.242 12.406 ( 1.882 -0.112 -2.000) 2.748 12.556 ( -2.037 6.889 -0.281) 7.190 12.660 ( -2.553 -2.749 4.618) 5.950 12.812 ( -0.126 2.509 -0.116) 2.515 12.934 ( 0.261 -4.415 1.660) 4.724 13.120 ( 1.531 0.407 -1.229) 2.005 13.507 ( 0.963 -3.492 -1.810) 4.049 14.386 ( -4.910 -3.879 3.515) 7.178 14.535 ( 5.577 3.624 -7.939) 10.357 15.123 ( -0.409 -0.879 5.825) 5.905 15.964 ( -1.416 10.625 3.958) 11.427 16.769 ( -3.083 1.503 1.596) 3.783 17.509 ( 3.830 3.221 11.878) 12.889 18.510 ( -1.380 5.705 2.288) 6.299 18.882 ( 2.499 -2.590 4.725) 5.939 19.271 ( -2.727 -5.725 -5.916) 8.673 19.765 ( -10.341 12.597 -9.063) 18.648 19.840 ( 4.050 6.667 6.153) 9.935 21.302 ( 2.027 -5.256 4.036) 6.930 21.393 ( -1.394 1.603 -2.352) 3.170 21.651 ( -1.539 -1.122 -1.409) 2.369 22.214 ( 5.859 -13.156 -0.366) 14.406 22.421 ( 1.357 1.134 -3.641) 4.048 ======================= Grid point 127 (67/97) ======================= q-point: ( 0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.729 ( -2.212 -0.000 5.243) 5.691 2.464 ( 5.013 0.000 9.123) 10.409 2.623 ( -7.821 -0.000 8.246) 11.365 2.881 ( 3.991 0.000 9.504) 10.308 2.991 ( 1.469 0.000 8.819) 8.940 3.021 ( -3.056 -0.000 20.755) 20.978 3.282 ( -5.518 -0.000 7.572) 9.369 3.504 ( -3.410 -0.000 -1.493) 3.722 3.626 ( -5.886 -0.000 -3.659) 6.931 3.631 ( 5.543 0.000 13.109) 14.233 3.799 ( 1.950 0.000 -1.919) 2.736 3.946 ( 2.950 0.000 -8.953) 9.426 4.025 ( -0.430 -0.000 -2.619) 2.654 4.045 ( -2.542 -0.000 -4.692) 5.336 4.235 ( 4.305 0.000 -8.035) 9.116 4.314 ( 3.058 0.000 -3.718) 4.814 4.421 ( -0.385 -0.000 1.933) 1.971 4.814 ( 13.499 0.000 -0.814) 13.523 4.853 ( 0.274 0.000 -2.616) 2.630 4.926 ( -1.561 -0.000 3.979) 4.274 5.104 ( 0.347 0.000 2.403) 2.428 5.174 ( -10.214 -0.000 0.476) 10.225 5.270 ( 1.148 0.000 -5.147) 5.274 5.277 ( -8.985 -0.000 0.359) 8.993 5.435 ( -4.266 -0.000 -4.317) 6.069 5.619 ( 3.283 0.000 5.468) 6.378 5.660 ( -7.791 -0.000 -0.034) 7.791 5.868 ( -2.691 -0.000 1.134) 2.920 5.939 ( 0.633 0.000 -1.033) 1.211 6.044 ( 0.987 0.000 -13.757) 13.793 6.221 ( 0.782 0.000 0.246) 0.820 6.306 ( 6.352 0.000 -6.105) 8.810 6.372 ( -10.033 -0.000 -3.682) 10.688 6.569 ( 0.719 0.000 3.362) 3.438 6.717 ( -9.272 -0.000 -3.059) 9.764 6.811 ( -4.005 -0.000 -1.703) 4.352 6.846 ( 5.597 0.000 -9.652) 11.157 6.991 ( 6.858 0.000 6.700) 9.587 7.119 ( 2.013 0.000 -3.768) 4.272 7.158 ( -5.449 -0.000 -7.645) 9.388 7.197 ( 5.836 0.000 6.460) 8.706 7.569 ( 3.945 0.000 -3.068) 4.997 7.709 ( -3.644 -0.000 0.035) 3.644 7.924 ( -1.444 -0.000 -7.252) 7.394 7.941 ( -2.926 -0.000 -3.003) 4.193 8.014 ( 3.206 0.000 3.519) 4.760 8.014 ( -3.386 -0.000 -5.672) 6.606 8.130 ( -0.401 -0.000 -1.760) 1.806 8.361 ( -0.094 -0.000 -0.468) 0.477 8.394 ( -3.295 -0.000 -4.408) 5.504 8.504 ( -0.745 -0.000 4.743) 4.801 8.959 ( -3.369 -0.000 -9.554) 10.131 9.008 ( 2.544 0.000 4.800) 5.433 9.011 ( -0.683 -0.000 0.485) 0.838 9.071 ( -0.410 -0.000 -3.771) 3.793 9.138 ( 7.174 0.000 5.735) 9.185 9.244 ( 6.983 0.000 3.775) 7.938 9.378 ( -0.825 -0.000 -1.239) 1.488 9.842 ( -2.256 -0.000 0.808) 2.396 9.863 ( 3.563 0.000 -2.712) 4.478 10.046 ( 2.469 0.000 4.241) 4.907 10.132 ( -1.636 -0.000 7.938) 8.105 10.310 ( 1.859 0.000 1.796) 2.585 10.334 ( -0.006 -0.000 8.028) 8.028 10.461 ( 4.704 0.000 -0.639) 4.747 10.716 ( 5.058 0.000 5.123) 7.199 10.798 ( -2.756 -0.000 1.319) 3.055 10.949 ( -2.242 -0.000 0.109) 2.244 11.415 ( 6.181 0.000 -9.846) 11.625 11.429 ( 0.492 0.000 -10.988) 10.999 11.869 ( 1.674 0.000 0.502) 1.747 12.040 ( 3.331 0.000 -0.840) 3.435 12.106 ( -1.582 -0.000 3.825) 4.139 12.402 ( 3.187 0.000 -3.990) 5.106 12.438 ( 2.624 0.000 0.165) 2.629 12.624 ( -5.429 -0.000 6.910) 8.788 12.956 ( -0.443 -0.000 -1.247) 1.324 13.046 ( -9.410 -0.000 1.822) 9.585 13.084 ( 7.948 0.000 -3.618) 8.733 13.462 ( -2.793 -0.000 1.135) 3.014 14.368 ( 1.332 0.000 -4.291) 4.493 14.705 ( 6.491 0.000 -14.001) 15.432 15.027 ( -2.600 -0.000 3.031) 3.994 16.242 ( 9.301 0.000 9.157) 13.052 17.213 ( -15.262 -0.000 -0.396) 15.267 17.311 ( 10.715 0.000 -1.274) 10.791 18.457 ( 3.004 0.000 1.035) 3.177 18.997 ( -2.889 -0.000 4.133) 5.043 19.010 ( 2.443 0.000 -2.057) 3.194 19.905 ( 7.453 0.000 11.454) 13.666 20.429 ( 11.508 0.000 1.815) 11.650 21.015 ( -23.578 -0.000 0.716) 23.589 21.473 ( 2.340 0.000 -9.296) 9.586 21.596 ( 6.226 0.000 0.905) 6.291 21.786 ( -8.180 -0.000 -3.842) 9.037 22.498 ( 3.515 0.000 -4.859) 5.997 ======================= Grid point 129 (68/97) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -3.297 2.009 5.480) 6.704 2.486 ( 0.436 13.045 8.976) 15.841 2.639 ( 2.083 -3.661 12.884) 13.555 2.941 ( -0.801 6.541 17.770) 18.953 3.092 ( 1.083 -5.486 5.638) 7.941 3.183 ( 1.557 -6.964 14.463) 16.128 3.206 ( -8.333 -1.934 6.178) 10.552 3.424 ( -5.859 2.366 -2.627) 6.842 3.520 ( -5.265 -1.584 2.024) 5.859 3.710 ( -2.416 -1.311 3.340) 4.326 3.823 ( 2.674 -0.251 -3.131) 4.125 3.899 ( -0.819 3.718 -0.908) 3.914 3.996 ( 0.166 -1.154 -8.303) 8.384 4.058 ( -0.115 -5.550 -2.913) 6.269 4.200 ( -0.338 2.654 -7.494) 7.958 4.316 ( 4.357 5.461 -4.804) 8.478 4.457 ( 0.966 -1.528 -0.838) 1.993 4.684 ( -10.789 9.750 3.819) 15.035 4.889 ( -0.812 -0.228 -6.079) 6.138 4.946 ( 0.626 -1.127 0.474) 1.374 5.041 ( -1.873 3.112 3.878) 5.313 5.116 ( -2.129 -2.939 1.980) 4.134 5.260 ( 2.505 1.107 -6.201) 6.779 5.266 ( 2.754 -5.326 -0.203) 5.999 5.457 ( 6.640 -1.458 -4.021) 7.898 5.623 ( -2.559 -5.021 1.437) 5.816 5.729 ( 7.096 0.329 5.275) 8.847 5.803 ( -4.279 0.871 -1.922) 4.771 5.990 ( 3.051 1.707 -4.085) 5.377 6.024 ( 3.628 -1.960 -2.045) 4.603 6.137 ( -10.899 -0.027 -2.538) 11.191 6.234 ( 2.958 3.266 -1.711) 4.727 6.409 ( 1.195 -6.637 -2.707) 7.266 6.562 ( -9.521 -0.638 -5.858) 11.197 6.586 ( -2.303 -0.319 0.299) 2.344 6.759 ( -2.969 -2.876 -2.577) 4.871 6.860 ( 1.245 0.866 -4.784) 5.019 7.061 ( 3.882 0.279 -5.320) 6.592 7.129 ( 1.738 -1.784 -6.581) 7.036 7.135 ( 4.582 -2.143 6.153) 7.965 7.300 ( 3.880 -1.040 2.749) 4.868 7.574 ( 4.198 5.705 -1.245) 7.191 7.704 ( -2.655 -2.617 -4.386) 5.757 7.810 ( -3.919 4.004 -3.741) 6.737 7.898 ( -2.121 -0.748 0.025) 2.249 7.936 ( -2.691 1.372 -2.522) 3.935 8.013 ( -2.021 -1.731 -3.138) 4.114 8.223 ( 9.427 0.968 3.511) 10.106 8.317 ( -4.341 -2.660 -4.928) 7.086 8.388 ( 2.325 -1.705 -0.541) 2.933 8.516 ( -2.751 -1.035 5.376) 6.127 8.831 ( -6.536 0.660 -10.163) 12.101 8.939 ( -8.798 -0.568 2.012) 9.043 9.030 ( 1.191 2.956 4.260) 5.321 9.105 ( 4.538 -1.193 -3.590) 5.908 9.205 ( 6.254 7.872 3.405) 10.615 9.351 ( 5.023 0.345 1.186) 5.173 9.413 ( 0.859 -5.319 -1.084) 5.496 9.810 ( -1.151 0.173 -0.877) 1.457 9.898 ( 2.381 0.263 -2.359) 3.362 10.067 ( -0.382 2.926 5.264) 6.035 10.117 ( -3.759 2.074 7.856) 8.952 10.339 ( 1.812 0.405 2.100) 2.803 10.448 ( 1.676 -6.052 7.769) 9.990 10.510 ( 3.307 1.635 -0.785) 3.772 10.795 ( -0.377 -0.029 1.165) 1.224 10.804 ( 1.737 0.984 2.505) 3.203 10.996 ( 8.678 -1.138 5.983) 10.602 11.364 ( 3.600 2.103 -11.612) 12.338 11.516 ( 7.311 -3.286 -10.019) 12.830 11.811 ( -1.204 5.866 -2.159) 6.366 12.038 ( 0.947 2.851 -0.778) 3.103 12.134 ( -2.010 -1.218 3.721) 4.401 12.421 ( 4.001 1.412 -4.176) 5.953 12.511 ( -0.657 -4.145 3.578) 5.515 12.604 ( -4.570 -5.701 6.284) 9.637 12.893 ( -5.889 3.977 -0.865) 7.159 12.917 ( -3.417 0.820 -2.246) 4.171 13.155 ( 4.026 1.067 -2.811) 5.025 13.438 ( -1.120 -0.197 0.744) 1.359 14.344 ( -3.915 -0.998 0.737) 4.107 14.700 ( 5.893 3.069 -15.448) 16.816 15.035 ( -0.039 -1.471 2.874) 3.229 16.371 ( 7.251 7.495 7.337) 12.751 16.979 ( -12.669 2.089 -1.165) 12.893 17.441 ( 6.859 -0.844 -1.941) 7.178 18.558 ( 4.878 -3.999 3.631) 7.278 18.885 ( -3.447 6.757 0.785) 7.626 19.103 ( 1.892 -4.863 0.222) 5.222 20.013 ( 7.849 8.497 9.482) 14.957 20.523 ( -12.598 7.696 -1.670) 14.857 20.776 ( -3.287 -13.282 7.597) 15.650 21.461 ( 0.707 -1.798 -9.526) 9.720 21.635 ( -2.739 -1.493 -6.524) 7.231 21.740 ( 4.509 -2.109 1.190) 5.118 22.508 ( 3.094 2.520 -3.814) 5.520 ======================= Grid point 130 (69/97) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -1.482 2.694 7.349) 7.966 2.367 ( 4.192 17.326 9.460) 20.180 2.754 ( -1.518 1.756 15.594) 15.766 2.879 ( -6.754 8.981 15.703) 19.310 3.074 ( -6.296 -1.916 7.898) 10.280 3.215 ( -4.719 -0.600 1.775) 5.077 3.251 ( -3.022 0.281 1.536) 3.402 3.405 ( -1.602 -4.131 9.180) 10.193 3.506 ( -0.287 -3.171 0.952) 3.323 3.699 ( -1.191 -1.916 1.641) 2.790 3.800 ( -2.712 0.018 -1.935) 3.331 3.883 ( 2.996 0.578 0.459) 3.085 4.010 ( 1.905 -2.778 -3.885) 5.142 4.093 ( -1.182 -4.167 -4.728) 6.412 4.116 ( -3.078 1.198 -4.705) 5.749 4.243 ( 2.932 8.032 -8.017) 11.721 4.360 ( -3.126 4.516 0.463) 5.512 4.620 ( 1.172 -0.267 2.034) 2.363 4.809 ( -8.328 -3.477 -3.200) 9.575 4.943 ( -0.936 -2.531 -1.021) 2.885 5.063 ( 4.390 -0.127 3.545) 5.645 5.153 ( -1.536 -4.489 0.756) 4.804 5.252 ( 2.592 1.635 -3.171) 4.410 5.409 ( 3.089 -4.451 2.864) 6.128 5.545 ( 1.399 -2.113 -2.455) 3.528 5.679 ( -2.574 -6.896 2.072) 7.646 5.743 ( 2.372 -2.145 2.254) 3.912 5.899 ( 8.416 -3.285 -0.706) 9.062 5.937 ( 0.949 6.455 -3.631) 7.466 5.992 ( -4.298 0.955 -5.606) 7.128 6.103 ( 3.340 0.007 -2.558) 4.207 6.288 ( 4.085 0.129 -1.708) 4.430 6.367 ( -7.411 -0.487 -3.095) 8.046 6.457 ( -4.164 -6.420 -0.544) 7.671 6.589 ( 2.077 -2.179 -3.482) 4.603 6.747 ( -2.109 -1.545 -1.054) 2.819 6.856 ( 2.863 -0.252 -5.320) 6.047 7.151 ( 1.084 -3.770 -8.057) 8.961 7.183 ( 11.121 -0.226 0.942) 11.163 7.239 ( 2.010 -1.785 2.382) 3.592 7.374 ( 1.036 -3.376 -1.162) 3.718 7.536 ( 2.102 9.053 -0.628) 9.315 7.607 ( -3.696 2.709 -0.971) 4.685 7.739 ( -0.446 -0.670 -3.989) 4.069 7.877 ( -1.825 -0.885 -0.258) 2.045 7.893 ( -1.744 0.234 3.082) 3.549 8.011 ( -0.923 -3.784 -2.477) 4.615 8.299 ( -0.777 -3.456 -1.526) 3.857 8.314 ( 3.797 1.264 -1.444) 4.255 8.497 ( 6.015 -3.519 -0.679) 7.002 8.500 ( -5.727 -1.724 6.707) 8.987 8.654 ( -9.293 -1.340 -9.863) 13.618 8.824 ( -5.249 1.476 1.576) 5.675 9.021 ( -0.007 3.294 4.033) 5.208 9.149 ( 2.626 0.966 -2.843) 3.989 9.223 ( 6.425 6.332 2.063) 9.253 9.361 ( 0.068 3.647 -4.260) 5.608 9.488 ( 1.371 -3.602 0.321) 3.867 9.798 ( 1.242 0.103 -3.575) 3.786 9.885 ( -0.627 1.988 -2.211) 3.038 10.050 ( 1.895 4.190 4.495) 6.430 10.061 ( -3.941 3.705 7.971) 9.634 10.392 ( 4.311 0.608 1.761) 4.697 10.476 ( 1.351 5.997 -0.483) 6.166 10.584 ( -1.266 -5.299 6.951) 8.832 10.766 ( -1.755 2.232 1.823) 3.374 10.864 ( 4.018 -4.151 -0.293) 5.784 11.166 ( 7.974 3.987 4.326) 9.910 11.362 ( 5.697 0.793 -11.611) 12.958 11.569 ( 1.766 -1.404 -8.941) 9.221 11.710 ( 1.435 4.835 -6.987) 8.617 12.022 ( 2.229 2.535 -1.329) 3.628 12.076 ( -5.413 2.597 3.714) 7.060 12.412 ( 0.039 1.427 -2.611) 2.976 12.560 ( -2.419 -3.606 4.379) 6.167 12.717 ( 0.094 -10.907 4.689) 11.873 12.763 ( -0.904 6.573 -0.616) 6.664 12.855 ( -1.395 0.848 -1.838) 2.459 13.152 ( 0.361 1.563 -2.424) 2.907 13.441 ( -0.373 -1.395 0.481) 1.522 14.294 ( -6.565 -2.644 2.910) 7.652 14.651 ( 4.422 4.342 -12.898) 14.309 15.078 ( 0.011 -2.195 3.311) 3.972 16.314 ( -0.478 14.545 4.699) 15.292 16.812 ( -4.503 1.464 0.139) 4.737 17.524 ( 3.272 -1.455 -0.188) 3.586 18.683 ( 1.293 3.001 6.686) 7.442 18.794 ( 1.504 -1.284 0.032) 1.978 19.174 ( 2.004 -1.635 -1.279) 2.885 20.060 ( 9.622 10.715 2.831) 14.676 20.094 ( -19.498 11.261 1.231) 22.549 21.044 ( 2.321 -14.189 9.101) 17.016 21.422 ( -1.596 -0.178 -6.041) 6.251 21.596 ( -2.041 -3.519 -6.002) 7.251 21.892 ( 5.702 -8.275 -1.992) 10.245 22.487 ( 1.505 3.162 -3.364) 4.856 ======================= Grid point 131 (70/97) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 0.094 2.685 8.993) 9.386 2.318 ( 10.242 12.073 7.951) 17.717 2.656 ( 0.076 23.603 18.745) 30.140 2.739 ( -10.136 -0.416 9.745) 14.067 3.086 ( -7.520 -3.964 6.122) 10.475 3.134 ( -3.848 1.441 3.724) 5.545 3.217 ( -1.402 -2.611 2.565) 3.919 3.405 ( -7.838 0.096 9.627) 12.414 3.587 ( 2.603 -3.649 1.160) 4.630 3.725 ( 0.907 1.611 1.653) 2.480 3.821 ( 1.143 -4.226 -1.765) 4.720 3.941 ( 1.583 -3.350 3.245) 4.926 4.033 ( -0.595 3.392 -4.409) 5.594 4.053 ( -0.817 -3.773 -1.982) 4.339 4.091 ( 3.405 2.178 -3.134) 5.115 4.161 ( 2.560 1.665 -6.072) 6.796 4.355 ( -0.934 -4.928 -0.759) 5.073 4.556 ( -4.911 4.296 0.260) 6.530 4.782 ( -0.102 -2.604 -0.772) 2.718 4.998 ( 0.633 -5.591 -0.188) 5.629 5.131 ( -5.003 -2.003 -0.084) 5.390 5.171 ( 2.867 1.675 1.727) 3.743 5.273 ( 0.467 -3.595 3.520) 5.053 5.488 ( -0.928 -4.927 6.649) 8.327 5.574 ( -2.553 -3.491 -3.010) 5.269 5.740 ( 0.011 -4.595 -1.655) 4.884 5.802 ( -4.228 -0.460 -3.125) 5.278 5.867 ( -4.727 1.731 -5.537) 7.483 5.908 ( 6.949 -5.020 -2.859) 9.037 6.066 ( -0.435 -1.658 -4.970) 5.257 6.085 ( 9.173 -0.747 -6.501) 11.268 6.261 ( -1.053 1.468 -2.664) 3.219 6.436 ( 8.511 -3.717 2.261) 9.559 6.534 ( 2.795 -5.208 3.917) 7.091 6.651 ( 2.507 -2.500 -0.835) 3.638 6.742 ( 1.901 -0.167 0.397) 1.949 6.848 ( -0.967 1.316 -7.023) 7.210 7.124 ( -4.613 -0.396 -5.337) 7.066 7.188 ( -5.836 2.445 -2.984) 6.996 7.323 ( -2.429 7.362 -1.783) 7.955 7.399 ( 9.323 0.332 -0.462) 9.340 7.454 ( 1.691 1.412 -1.662) 2.760 7.589 ( 1.841 0.330 5.881) 6.171 7.779 ( 3.244 -3.802 -2.739) 5.700 7.859 ( -0.813 -1.470 -2.710) 3.189 7.914 ( 0.301 -3.675 0.947) 3.807 8.077 ( 2.424 -5.247 2.329) 6.232 8.303 ( 1.345 2.008 -1.220) 2.708 8.382 ( 2.030 -4.869 -2.416) 5.802 8.442 ( -7.438 -2.325 1.346) 7.909 8.529 ( -5.001 -1.818 0.199) 5.325 8.584 ( -1.125 -6.702 -4.985) 8.428 8.804 ( 3.602 3.006 0.771) 4.754 8.988 ( -0.390 3.715 2.522) 4.507 9.120 ( -0.026 3.391 -4.656) 5.760 9.212 ( -1.421 5.253 0.361) 5.454 9.268 ( 2.067 5.401 -1.247) 5.916 9.537 ( 0.985 -0.364 0.198) 1.069 9.794 ( 1.918 1.158 -5.361) 5.811 9.835 ( 0.131 2.341 -2.054) 3.117 10.006 ( -1.718 3.905 8.652) 9.647 10.061 ( 3.791 4.188 2.035) 6.004 10.397 ( -0.059 6.722 2.037) 7.024 10.436 ( 1.454 1.568 -1.326) 2.516 10.631 ( -1.865 0.101 4.891) 5.235 10.732 ( -0.402 0.324 2.413) 2.468 10.998 ( 0.286 -5.918 -0.507) 5.946 11.132 ( 0.163 7.881 -2.716) 8.338 11.319 ( 2.391 5.569 -8.761) 10.653 11.533 ( -0.126 0.851 -6.393) 6.451 11.674 ( 3.758 -0.345 -14.514) 14.996 12.020 ( 0.554 2.252 4.574) 5.129 12.027 ( 2.495 1.624 -0.070) 2.978 12.386 ( -1.502 -1.109 -2.559) 3.167 12.571 ( -2.444 -0.931 3.900) 4.696 12.677 ( 0.139 5.481 0.734) 5.532 12.829 ( 0.641 -0.230 0.773) 1.030 12.890 ( 1.449 -5.152 2.324) 5.834 13.141 ( 1.650 -0.685 -1.327) 2.226 13.466 ( 0.042 -2.867 -0.621) 2.934 14.265 ( -4.057 -4.860 -0.372) 6.342 14.603 ( 3.121 2.921 -7.397) 8.543 15.119 ( -1.157 -2.227 4.170) 4.867 16.097 ( -4.972 12.935 4.681) 14.627 16.808 ( 4.393 0.508 0.881) 4.509 17.576 ( -0.772 -1.808 3.956) 4.418 18.615 ( -0.853 7.406 4.625) 8.774 18.921 ( 4.865 -3.249 3.784) 6.967 19.177 ( -0.460 0.272 -8.593) 8.610 19.676 ( -13.315 10.154 1.740) 16.835 20.137 ( 12.970 10.073 4.927) 17.145 21.254 ( 0.667 -8.413 5.386) 10.012 21.394 ( 1.175 -0.783 -2.191) 2.606 21.574 ( -4.292 -3.657 -3.698) 6.743 22.060 ( 0.113 -11.267 -3.238) 11.724 22.440 ( -0.151 2.190 -4.346) 4.869 ======================= Grid point 135 (71/97) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( -1.612 -0.000 7.903) 8.066 2.680 ( 0.877 0.000 11.922) 11.954 2.753 ( 8.276 0.000 9.042) 12.257 2.987 ( -7.574 -0.000 8.103) 11.092 3.031 ( -15.627 -0.000 8.183) 17.639 3.150 ( 7.370 0.000 4.507) 8.639 3.241 ( 2.377 0.000 19.112) 19.259 3.343 ( -5.155 -0.000 -4.804) 7.047 3.479 ( -1.297 -0.000 5.401) 5.554 3.647 ( -4.911 -0.000 -1.657) 5.183 3.845 ( -7.752 -0.000 -0.066) 7.752 3.853 ( 3.429 0.000 -2.411) 4.192 3.987 ( -1.378 -0.000 -1.593) 2.106 3.990 ( 2.647 0.000 -5.939) 6.502 4.131 ( -4.230 -0.000 -7.069) 8.238 4.423 ( 0.797 0.000 -2.688) 2.804 4.488 ( 10.515 0.000 -3.220) 10.997 4.591 ( -14.755 -0.000 1.108) 14.797 4.716 ( -10.445 -0.000 -1.251) 10.519 4.946 ( 2.095 0.000 -7.013) 7.319 5.078 ( -0.000 -0.000 1.402) 1.402 5.082 ( 0.881 0.000 3.993) 4.089 5.277 ( 3.456 0.000 -5.798) 6.750 5.325 ( 8.383 0.000 2.378) 8.714 5.522 ( -2.426 -0.000 1.293) 2.749 5.583 ( -0.803 -0.000 3.397) 3.491 5.779 ( 1.706 0.000 2.589) 3.100 5.825 ( 3.948 0.000 -4.378) 5.895 5.962 ( -4.243 -0.000 -2.811) 5.090 6.083 ( 10.139 0.000 5.848) 11.705 6.104 ( 3.322 0.000 1.419) 3.612 6.245 ( -4.267 -0.000 -4.799) 6.421 6.341 ( -1.210 -0.000 -4.420) 4.583 6.388 ( -5.072 -0.000 -7.336) 8.918 6.586 ( -0.924 -0.000 -2.761) 2.912 6.691 ( -0.305 -0.000 -0.806) 0.861 6.869 ( 4.453 0.000 -6.324) 7.734 7.090 ( 0.721 0.000 -9.139) 9.167 7.175 ( 13.474 0.000 -1.925) 13.611 7.218 ( 2.338 0.000 6.658) 7.057 7.329 ( 1.327 0.000 -2.084) 2.471 7.622 ( -2.655 -0.000 -4.351) 5.097 7.653 ( 0.428 0.000 -3.149) 3.178 7.756 ( -3.073 -0.000 -2.681) 4.078 7.862 ( -3.815 -0.000 3.511) 5.185 7.925 ( -2.619 -0.000 -4.772) 5.444 7.926 ( 0.234 0.000 1.276) 1.298 8.198 ( -3.910 -0.000 -4.630) 6.061 8.402 ( 2.262 0.000 -3.052) 3.799 8.406 ( 7.512 0.000 1.965) 7.765 8.463 ( -6.028 -0.000 7.382) 9.530 8.674 ( -9.940 -0.000 -6.484) 11.868 8.837 ( -4.550 -0.000 2.450) 5.168 9.060 ( -1.547 -0.000 3.827) 4.128 9.160 ( 4.689 0.000 -2.943) 5.536 9.338 ( 3.612 0.000 -6.578) 7.505 9.409 ( 1.247 0.000 -2.750) 3.020 9.410 ( 5.784 0.000 6.687) 8.842 9.784 ( -1.195 -0.000 -1.586) 1.986 9.926 ( 1.782 0.000 -2.142) 2.787 10.111 ( 0.105 0.000 4.787) 4.788 10.118 ( -3.609 -0.000 9.358) 10.030 10.403 ( 4.369 0.000 3.408) 5.541 10.499 ( 3.446 0.000 8.225) 8.918 10.572 ( 3.100 0.000 -2.247) 3.829 10.800 ( -2.406 -0.000 2.115) 3.204 10.810 ( 0.771 0.000 -0.381) 0.860 11.215 ( 12.822 0.000 5.876) 14.105 11.365 ( 5.065 0.000 -13.392) 14.318 11.534 ( 3.006 0.000 -8.759) 9.260 11.800 ( -0.375 -0.000 -3.710) 3.729 12.071 ( 1.191 0.000 -3.020) 3.246 12.111 ( -5.233 -0.000 6.124) 8.055 12.473 ( -1.416 -0.000 -2.005) 2.454 12.492 ( -3.017 -0.000 4.741) 5.619 12.512 ( 3.184 0.000 3.887) 5.025 12.859 ( -2.900 -0.000 -2.667) 3.940 12.864 ( -1.244 -0.000 -1.030) 1.615 13.174 ( -0.560 -0.000 -1.872) 1.954 13.425 ( -0.682 -0.000 0.697) 0.975 14.261 ( -6.815 -0.000 2.186) 7.157 14.713 ( 3.821 0.000 -14.264) 14.767 15.043 ( -0.041 -0.000 2.420) 2.420 16.545 ( 3.745 0.000 4.702) 6.012 16.827 ( -8.213 -0.000 -0.254) 8.217 17.495 ( 3.384 0.000 -4.061) 5.286 18.626 ( 5.854 0.000 2.692) 6.444 18.857 ( -5.859 -0.000 2.027) 6.199 19.160 ( 6.546 0.000 2.031) 6.854 20.228 ( 1.601 0.000 -0.734) 1.761 20.312 ( -16.512 -0.000 15.684) 22.774 20.761 ( 6.813 0.000 4.832) 8.353 21.386 ( -1.006 -0.000 -12.779) 12.818 21.544 ( -2.774 -0.000 -5.955) 6.570 21.808 ( 5.673 0.000 -1.101) 5.779 22.536 ( 0.839 0.000 -3.166) 3.275 ======================= Grid point 136 (72/97) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 2.414 2.435 9.713) 10.301 2.622 ( -7.293 7.214 7.131) 12.493 2.756 ( -11.741 3.168 8.243) 14.692 2.970 ( 1.847 -0.141 14.684) 14.800 2.977 ( -2.472 -1.571 11.493) 11.860 3.240 ( 0.177 9.064 6.628) 11.230 3.255 ( -1.446 0.429 -0.840) 1.726 3.378 ( 3.597 -2.007 3.742) 5.565 3.498 ( 0.023 -1.952 -0.260) 1.969 3.618 ( -2.589 -8.564 1.759) 9.118 3.729 ( -5.851 -0.523 2.268) 6.297 3.912 ( 2.595 -0.852 0.902) 2.876 3.967 ( -0.927 -2.013 -1.110) 2.478 4.009 ( -0.655 -3.484 -1.275) 3.767 4.042 ( -3.290 -0.586 -5.081) 6.081 4.332 ( -5.418 3.766 1.779) 6.834 4.391 ( -1.956 5.637 -7.360) 9.475 4.577 ( -8.814 -1.103 0.967) 8.935 4.659 ( 6.837 -3.619 -0.247) 7.739 4.948 ( 3.077 0.407 -6.999) 7.657 5.083 ( 0.758 0.327 1.628) 1.825 5.167 ( 4.504 -3.166 0.544) 5.532 5.296 ( 3.784 2.460 -3.076) 5.462 5.386 ( -7.046 1.524 7.825) 10.639 5.508 ( 3.041 -4.422 1.055) 5.469 5.616 ( 0.567 -2.453 3.818) 4.574 5.839 ( 5.248 0.134 -1.073) 5.358 5.869 ( -0.657 -0.308 -6.159) 6.202 5.924 ( 0.686 2.164 -3.962) 4.566 6.036 ( -2.105 1.301 -7.403) 7.806 6.167 ( 6.238 5.349 -3.061) 8.769 6.291 ( -0.995 -0.481 -3.063) 3.257 6.340 ( 4.870 -4.233 7.692) 10.040 6.377 ( 3.493 -4.473 -2.175) 6.077 6.558 ( -0.296 -3.157 -1.679) 3.588 6.726 ( 2.887 -0.553 1.165) 3.162 6.905 ( 6.034 2.817 -8.220) 10.579 7.069 ( 0.570 -2.919 -9.699) 10.145 7.228 ( -3.280 0.534 -1.063) 3.489 7.325 ( -0.546 -1.512 -3.517) 3.867 7.404 ( 15.979 0.269 -0.273) 15.984 7.566 ( -4.313 2.562 -2.310) 5.523 7.637 ( 1.784 -3.314 0.032) 3.763 7.675 ( -3.553 3.891 -1.303) 5.428 7.810 ( -3.641 -3.747 -2.951) 6.001 7.891 ( -1.606 1.292 2.884) 3.545 7.978 ( 1.787 -2.079 4.792) 5.521 8.184 ( -0.219 -5.549 -2.224) 5.982 8.348 ( -4.962 -0.090 -4.573) 6.749 8.389 ( -7.811 -2.423 -0.700) 8.208 8.482 ( -2.863 -0.028 0.845) 2.985 8.529 ( -2.892 0.540 0.972) 3.098 8.848 ( 4.754 0.652 2.921) 5.618 9.045 ( -2.051 0.890 3.564) 4.207 9.190 ( 3.042 1.617 -4.684) 5.814 9.334 ( -0.389 2.895 -3.610) 4.644 9.387 ( 2.894 3.410 -3.214) 5.507 9.521 ( 3.343 -0.831 4.211) 5.440 9.771 ( 0.224 -1.674 -3.567) 3.946 9.914 ( 0.658 2.826 -2.018) 3.535 10.108 ( -2.192 2.859 9.454) 10.117 10.125 ( 0.280 0.732 2.269) 2.401 10.479 ( 4.014 1.698 1.577) 4.635 10.551 ( -1.085 3.040 -0.416) 3.255 10.606 ( 3.675 -0.201 6.363) 7.351 10.765 ( -2.748 1.028 2.367) 3.770 10.846 ( 2.549 -4.122 -2.162) 5.307 11.262 ( -5.882 2.597 -1.252) 6.550 11.396 ( 7.161 -0.185 -13.370) 15.168 11.590 ( 10.207 -0.164 -9.590) 14.006 11.760 ( 1.501 7.512 -3.861) 8.579 12.004 ( -4.820 2.267 2.356) 5.824 12.105 ( 0.702 -1.612 1.394) 2.243 12.379 ( -4.670 1.251 -0.420) 4.853 12.492 ( -6.047 -5.566 3.396) 8.893 12.692 ( 9.757 -3.960 4.275) 11.364 12.808 ( -0.843 2.032 -0.181) 2.207 12.852 ( 1.657 0.811 -0.989) 2.093 13.136 ( -2.517 0.065 -1.622) 2.995 13.427 ( -0.115 -0.432 0.784) 0.902 14.177 ( -6.230 -1.625 1.171) 6.544 14.676 ( 2.118 1.879 -10.750) 11.117 15.051 ( -2.076 -2.086 2.381) 3.786 16.471 ( -4.458 13.225 2.459) 14.171 16.786 ( 0.129 -3.003 1.515) 3.366 17.512 ( 0.182 -2.153 -4.037) 4.579 18.756 ( 1.925 0.081 7.569) 7.811 18.788 ( 1.371 -1.880 -2.484) 3.403 19.227 ( 1.731 2.092 -0.883) 2.855 19.930 ( -17.012 7.545 2.940) 18.841 20.417 ( 12.663 9.471 13.123) 20.549 20.946 ( 1.707 -11.631 6.551) 13.458 21.316 ( -3.374 -4.859 -10.477) 12.032 21.492 ( -1.224 -1.129 -6.457) 6.668 21.892 ( 4.645 -2.295 -2.674) 5.830 22.501 ( -1.455 1.766 -3.459) 4.147 ======================= Grid point 137 (73/97) ======================= q-point: (-0.17 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 2.790 5.588 8.715) 10.722 2.441 ( -13.645 -0.056 8.028) 15.831 2.615 ( -12.443 -1.502 15.216) 19.713 2.976 ( -0.205 9.821 4.800) 10.933 3.023 ( 0.498 7.100 13.152) 14.955 3.185 ( 0.999 0.995 4.171) 4.403 3.232 ( -0.400 0.823 7.206) 7.264 3.386 ( 0.749 3.283 1.690) 3.768 3.546 ( -0.200 -6.247 1.557) 6.442 3.709 ( -3.506 -4.776 0.352) 5.935 3.786 ( 4.715 -6.663 2.682) 8.592 3.921 ( -3.917 -1.664 -0.408) 4.275 3.978 ( -2.403 -3.586 -0.326) 4.329 4.028 ( 0.845 -2.648 1.601) 3.207 4.081 ( 3.377 -1.647 -2.480) 4.502 4.231 ( -1.902 0.047 -1.279) 2.293 4.313 ( -0.123 0.532 -2.053) 2.124 4.507 ( -0.987 0.758 1.099) 1.661 4.764 ( 0.835 -2.888 0.928) 3.146 4.934 ( 0.084 1.373 -4.044) 4.271 5.094 ( 1.133 2.625 1.729) 3.341 5.216 ( -0.305 -0.294 -4.594) 4.613 5.270 ( 1.532 4.353 1.178) 4.763 5.418 ( -0.436 -7.173 4.733) 8.605 5.584 ( 2.588 1.386 -0.046) 2.936 5.693 ( 1.497 -3.544 2.389) 4.528 5.725 ( -3.178 0.151 -10.994) 11.446 5.829 ( 0.408 6.465 -5.245) 8.335 5.923 ( 1.032 -3.181 -2.742) 4.325 6.059 ( 3.118 1.781 1.485) 3.886 6.173 ( 4.617 3.053 -9.607) 11.087 6.247 ( 2.789 -2.085 -3.976) 5.286 6.489 ( 4.665 -5.322 -0.724) 7.114 6.545 ( 4.321 -6.342 5.127) 9.229 6.674 ( 6.136 -4.758 4.184) 8.821 6.788 ( 3.069 1.112 1.621) 3.644 6.869 ( 1.964 4.673 -4.873) 7.031 7.037 ( -3.663 1.633 -6.757) 7.858 7.113 ( -5.371 2.347 -5.010) 7.711 7.291 ( -5.950 2.132 -4.135) 7.553 7.406 ( -0.923 -1.008 -3.455) 3.716 7.632 ( 7.123 -0.142 2.199) 7.456 7.666 ( 7.581 -0.673 -2.835) 8.121 7.723 ( -0.974 -1.355 -2.720) 3.191 7.790 ( -1.344 -3.388 2.117) 4.215 7.865 ( -1.976 -0.893 1.341) 2.550 8.060 ( -0.267 -5.143 3.283) 6.107 8.252 ( -4.784 -4.946 -2.136) 7.205 8.276 ( -0.607 -3.596 -0.858) 3.746 8.327 ( -1.126 -3.774 -2.704) 4.777 8.454 ( -4.250 -4.332 4.892) 7.795 8.542 ( 3.562 -0.761 -1.051) 3.791 8.898 ( 0.301 5.233 0.333) 5.252 9.034 ( 1.488 0.539 3.829) 4.143 9.147 ( 0.409 3.895 -4.548) 6.002 9.255 ( -0.733 4.414 -0.352) 4.488 9.350 ( 1.054 5.421 -3.211) 6.388 9.564 ( 0.250 0.425 0.402) 0.636 9.790 ( 2.110 -0.707 -4.092) 4.658 9.875 ( 0.999 2.738 -0.870) 3.042 10.083 ( -1.460 3.166 8.175) 8.888 10.127 ( -0.417 0.122 -0.395) 0.587 10.456 ( -1.955 3.727 -2.464) 4.877 10.469 ( -2.580 4.349 1.838) 5.380 10.680 ( 1.646 2.153 5.252) 5.911 10.745 ( 0.261 -0.791 3.789) 3.879 10.914 ( -2.884 -1.647 -0.950) 3.455 11.154 ( 0.894 -2.295 -6.395) 6.853 11.396 ( 4.828 7.009 -12.281) 14.941 11.555 ( -4.002 10.581 -2.259) 11.536 11.629 ( 1.086 0.110 -14.646) 14.687 11.999 ( 1.050 -1.016 4.656) 4.879 12.147 ( 2.372 0.375 1.215) 2.692 12.328 ( -1.480 -1.558 -2.591) 3.366 12.507 ( -3.861 -6.160 3.745) 8.178 12.760 ( 0.612 4.912 1.711) 5.238 12.849 ( 2.164 -1.271 3.702) 4.473 12.905 ( 4.419 0.100 -0.002) 4.420 13.117 ( -1.208 -3.222 -0.812) 3.536 13.438 ( -0.026 -0.928 0.360) 0.996 14.161 ( 0.792 -4.765 -4.017) 6.282 14.627 ( 0.834 1.857 -6.207) 6.533 15.073 ( -2.034 -3.861 3.100) 5.353 16.197 ( -7.529 14.091 3.570) 16.370 16.877 ( 4.858 -2.991 2.447) 6.208 17.510 ( -3.883 -3.612 -2.160) 5.726 18.690 ( -3.161 5.228 4.703) 7.710 18.965 ( 8.178 -5.935 -2.319) 10.368 19.130 ( -5.667 3.655 -5.247) 8.545 19.659 ( -8.250 7.948 7.505) 13.695 20.536 ( 14.987 13.552 7.096) 21.415 21.132 ( -4.979 -13.931 6.100) 16.003 21.326 ( -0.293 -6.966 -2.179) 7.305 21.464 ( 0.925 -0.895 -6.198) 6.331 21.958 ( 0.459 -3.320 -3.435) 4.799 22.424 ( -1.840 2.001 -4.792) 5.509 ======================= Grid point 142 (74/97) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( 6.749 0.000 7.552) 10.128 2.431 ( -23.456 -0.000 11.444) 26.099 2.603 ( -15.795 -0.000 13.628) 20.862 3.014 ( 2.215 0.000 5.562) 5.986 3.161 ( 6.969 0.000 6.444) 9.492 3.264 ( 2.691 0.000 5.787) 6.382 3.347 ( -1.021 -0.000 0.836) 1.320 3.350 ( -15.702 -0.000 5.539) 16.651 3.505 ( 1.822 0.000 6.054) 6.322 3.527 ( 4.760 0.000 -4.070) 6.263 3.686 ( 0.058 0.000 9.242) 9.242 3.900 ( -10.024 -0.000 -1.984) 10.219 3.925 ( -1.956 -0.000 -0.767) 2.101 3.981 ( 5.049 0.000 2.416) 5.597 4.013 ( 2.414 0.000 2.029) 3.154 4.260 ( -4.394 -0.000 -0.512) 4.424 4.299 ( -7.076 -0.000 -0.961) 7.141 4.537 ( -1.067 -0.000 2.045) 2.306 4.739 ( 7.029 0.000 -4.953) 8.599 4.974 ( 5.482 0.000 -9.681) 11.126 5.158 ( 4.039 0.000 1.407) 4.277 5.171 ( 2.709 0.000 -1.906) 3.313 5.319 ( -0.068 -0.000 3.860) 3.861 5.442 ( 4.485 0.000 1.491) 4.727 5.511 ( 1.319 0.000 0.322) 1.357 5.656 ( 2.813 0.000 2.947) 4.074 5.743 ( -6.771 -0.000 -11.450) 13.302 5.866 ( 2.244 0.000 -3.622) 4.260 5.963 ( 5.497 0.000 -6.115) 8.223 6.122 ( 6.143 0.000 5.719) 8.393 6.187 ( -1.941 -0.000 -8.612) 8.828 6.288 ( 4.887 0.000 -1.411) 5.087 6.370 ( -1.097 -0.000 -5.929) 6.030 6.411 ( 5.638 0.000 4.182) 7.020 6.605 ( 7.652 0.000 9.207) 11.972 6.798 ( 4.851 0.000 1.773) 5.165 6.988 ( 4.660 0.000 -8.003) 9.261 6.994 ( 0.502 0.000 -10.933) 10.944 7.151 ( -3.924 -0.000 -4.921) 6.294 7.257 ( -4.782 -0.000 -2.080) 5.215 7.479 ( -9.672 -0.000 -7.743) 12.390 7.559 ( -1.386 -0.000 -1.748) 2.231 7.647 ( 12.131 0.000 0.912) 12.165 7.695 ( -0.931 -0.000 -0.315) 0.983 7.738 ( 1.682 0.000 5.565) 5.814 7.929 ( 4.139 0.000 1.447) 4.385 7.992 ( -5.307 -0.000 2.423) 5.834 8.150 ( 0.918 0.000 -0.131) 0.928 8.205 ( -1.101 -0.000 -4.609) 4.739 8.285 ( -6.975 -0.000 1.523) 7.139 8.396 ( -6.644 -0.000 3.239) 7.392 8.547 ( 2.290 0.000 0.298) 2.309 8.962 ( 5.646 0.000 3.047) 6.416 9.036 ( -2.550 -0.000 4.420) 5.103 9.216 ( 0.777 0.000 -6.024) 6.074 9.314 ( -0.223 -0.000 -2.199) 2.210 9.467 ( 5.844 0.000 -5.839) 8.261 9.528 ( -3.979 -0.000 1.736) 4.342 9.771 ( 3.072 0.000 -0.999) 3.231 9.935 ( 0.953 0.000 -2.582) 2.752 10.090 ( -4.996 -0.000 0.134) 4.998 10.146 ( -2.047 -0.000 8.077) 8.332 10.527 ( -4.006 -0.000 -0.509) 4.038 10.529 ( -1.873 -0.000 0.132) 1.878 10.698 ( 4.477 0.000 3.898) 5.936 10.741 ( -3.239 -0.000 3.956) 5.113 10.860 ( 6.311 0.000 -3.483) 7.209 11.120 ( -8.801 -0.000 -4.700) 9.978 11.450 ( 8.627 0.000 -12.848) 15.475 11.616 ( 2.907 0.000 -16.802) 17.051 11.917 ( 0.411 0.000 0.033) 0.412 12.007 ( 5.144 0.000 6.871) 8.583 12.060 ( -2.345 -0.000 -2.171) 3.195 12.293 ( -10.760 -0.000 4.345) 11.604 12.344 ( -2.830 -0.000 -1.676) 3.289 12.818 ( 1.134 0.000 1.395) 1.798 12.859 ( 5.153 0.000 6.583) 8.360 12.904 ( 7.675 0.000 -1.627) 7.846 13.068 ( -4.823 -0.000 -1.658) 5.100 13.434 ( 0.396 0.000 1.115) 1.183 14.100 ( -1.525 -0.000 -1.561) 2.182 14.657 ( 0.442 0.000 -7.843) 7.856 15.005 ( -2.972 -0.000 2.790) 4.076 16.497 ( -7.431 -0.000 -3.259) 8.114 16.774 ( 1.893 0.000 6.760) 7.020 17.441 ( -4.414 -0.000 -5.049) 6.707 18.750 ( -3.019 -0.000 -0.683) 3.096 18.875 ( 9.065 0.000 5.200) 10.450 19.181 ( -7.307 -0.000 -6.182) 9.572 19.804 ( -11.998 -0.000 11.396) 16.547 20.819 ( 19.820 0.000 17.911) 26.714 20.858 ( -4.984 -0.000 -4.362) 6.623 21.163 ( -2.446 -0.000 -6.449) 6.897 21.457 ( 0.997 0.000 -5.604) 5.692 21.922 ( 2.574 0.000 -3.181) 4.092 22.459 ( -2.677 -0.000 -3.702) 4.569 ======================= Grid point 143 (75/97) ======================= q-point: (-0.17 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( -3.395 7.838 2.711) 8.961 2.174 ( -18.914 -5.579 12.731) 23.472 2.482 ( -14.460 -3.271 22.436) 26.891 3.038 ( -1.539 0.997 1.314) 2.256 3.179 ( -11.251 -3.054 10.953) 15.996 3.198 ( -0.931 8.573 5.620) 10.293 3.276 ( 1.947 2.338 -2.375) 3.859 3.407 ( 2.205 -3.166 12.760) 13.331 3.521 ( -1.199 -3.409 5.495) 6.577 3.605 ( 2.127 -2.552 -3.235) 4.637 3.740 ( -11.310 -3.585 0.793) 11.891 3.815 ( 3.063 -2.093 7.440) 8.314 3.899 ( -2.255 -1.722 -2.230) 3.609 4.058 ( 1.824 -0.726 4.692) 5.086 4.115 ( 6.143 -1.795 -2.523) 6.879 4.212 ( 1.018 -0.033 3.634) 3.774 4.281 ( 2.086 -3.438 -1.745) 4.383 4.543 ( 2.053 1.653 -1.138) 2.871 4.793 ( 4.068 0.956 -2.750) 5.003 4.978 ( 4.193 2.520 -9.052) 10.289 5.192 ( 3.461 1.900 -1.532) 4.235 5.198 ( 0.378 0.594 -2.480) 2.578 5.365 ( 1.442 6.051 -3.024) 6.916 5.419 ( 3.184 2.373 6.820) 7.892 5.581 ( 0.476 -0.429 -8.547) 8.571 5.640 ( 1.025 -4.790 -3.720) 6.151 5.691 ( 0.402 -0.544 0.625) 0.921 5.881 ( -0.155 0.130 -0.539) 0.575 5.984 ( 9.067 7.588 -4.180) 12.541 6.125 ( -1.117 2.867 -10.780) 11.210 6.176 ( 0.958 0.251 0.495) 1.107 6.304 ( 7.705 -0.349 -1.041) 7.783 6.501 ( 3.047 -9.832 5.100) 11.487 6.535 ( 6.033 -0.407 2.570) 6.570 6.750 ( 3.879 -1.663 2.199) 4.759 6.852 ( 1.347 3.287 1.746) 3.958 6.922 ( -1.168 1.340 -3.834) 4.226 6.969 ( -3.232 0.861 -5.053) 6.060 7.016 ( -8.377 2.873 -4.865) 10.105 7.216 ( 1.625 -2.939 -4.846) 5.896 7.332 ( -2.258 -3.060 -4.989) 6.273 7.529 ( -7.612 -2.432 -2.780) 8.461 7.690 ( 1.971 2.904 -2.314) 4.203 7.770 ( 2.155 -1.031 0.776) 2.512 7.826 ( 2.116 -0.722 7.920) 8.230 7.869 ( -2.116 -3.410 -3.816) 5.538 8.037 ( 8.802 0.708 -0.308) 8.836 8.166 ( -6.777 -1.099 -3.430) 7.674 8.215 ( 2.722 -2.700 3.481) 5.179 8.304 ( 6.654 -4.241 0.956) 7.948 8.395 ( -1.509 -3.593 9.845) 10.588 8.582 ( 2.486 0.215 -0.375) 2.523 8.937 ( -5.314 6.399 0.410) 8.328 9.060 ( -0.867 -3.094 3.844) 5.010 9.164 ( -0.528 1.626 -1.272) 2.131 9.300 ( 1.975 3.077 -5.675) 6.751 9.393 ( -3.500 5.522 -5.214) 8.362 9.548 ( 2.855 -2.075 -4.413) 5.651 9.807 ( 0.467 -0.080 1.080) 1.179 9.911 ( -0.202 2.195 -1.478) 2.654 10.023 ( -5.627 -3.178 -1.578) 6.652 10.138 ( -2.262 1.230 5.490) 6.064 10.421 ( -6.687 2.919 -1.401) 7.429 10.452 ( -4.554 0.702 0.606) 4.648 10.708 ( -3.136 0.237 3.545) 4.739 10.781 ( 3.870 -1.379 0.450) 4.133 10.917 ( 1.358 4.482 -1.026) 4.795 11.074 ( 3.504 -7.854 -7.336) 11.304 11.490 ( 7.453 2.870 -13.172) 15.404 11.551 ( -1.038 2.164 -12.629) 12.855 11.646 ( -9.679 17.274 0.262) 19.803 12.019 ( -6.346 -4.016 5.222) 9.147 12.157 ( 4.818 -0.310 -2.277) 5.338 12.295 ( 2.774 -2.257 -1.107) 3.744 12.352 ( -1.355 -10.124 1.302) 10.297 12.834 ( 0.874 2.054 2.178) 3.119 12.876 ( -3.042 1.848 5.101) 6.220 12.987 ( 1.369 0.266 -2.484) 2.849 13.044 ( 0.984 -1.541 1.258) 2.219 13.445 ( 1.168 0.342 0.294) 1.252 14.144 ( 7.336 -3.134 -5.345) 9.602 14.613 ( -1.095 0.764 -4.540) 4.733 15.016 ( -0.927 -3.331 4.186) 5.429 16.239 ( -11.001 10.870 -2.244) 15.627 16.912 ( 4.401 -4.858 8.525) 10.754 17.334 ( -10.246 -4.762 -4.054) 12.004 18.686 ( -4.529 0.824 0.170) 4.607 18.976 ( -4.907 3.551 -6.981) 9.243 19.101 ( 8.144 -4.258 4.828) 10.381 19.669 ( -9.221 5.149 10.242) 14.711 20.691 ( -13.114 -4.926 -12.643) 18.870 21.075 ( 8.458 7.182 10.585) 15.335 21.323 ( 11.589 -7.166 8.015) 15.808 21.473 ( 6.703 -1.175 -4.288) 8.044 21.911 ( -2.521 -0.117 -3.319) 4.170 22.403 ( -0.239 1.371 -3.937) 4.175 ======================= Grid point 149 (76/97) ======================= q-point: (-0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -21.096 -0.000 19.838) 28.958 1.892 ( -14.633 -0.000 0.352) 14.638 2.337 ( -16.771 -0.000 16.510) 23.534 2.996 ( -4.895 -0.000 -3.152) 5.822 3.059 ( -9.298 -0.000 31.188) 32.544 3.252 ( 0.806 0.000 -2.402) 2.534 3.325 ( 3.558 0.000 -1.260) 3.774 3.406 ( -9.056 -0.000 4.744) 10.223 3.560 ( 8.007 0.000 6.722) 10.455 3.622 ( -2.297 -0.000 5.832) 6.268 3.639 ( 3.499 0.000 0.454) 3.528 3.826 ( -4.045 -0.000 -3.920) 5.633 3.893 ( 1.835 0.000 8.791) 8.981 4.104 ( 1.845 0.000 0.313) 1.871 4.200 ( 8.204 0.000 -0.864) 8.250 4.269 ( 2.721 0.000 3.501) 4.434 4.294 ( 3.277 0.000 -1.269) 3.514 4.575 ( 1.845 0.000 -4.919) 5.254 4.845 ( 3.592 0.000 -2.484) 4.368 4.991 ( 3.004 0.000 -10.243) 10.675 5.155 ( -4.601 -0.000 -2.736) 5.353 5.202 ( -2.557 -0.000 -0.971) 2.735 5.479 ( 10.626 0.000 -2.425) 10.900 5.520 ( 1.414 0.000 -2.072) 2.508 5.567 ( 2.867 0.000 -8.693) 9.154 5.646 ( 8.126 0.000 6.299) 10.282 5.703 ( 0.646 0.000 0.910) 1.116 5.888 ( 0.071 0.000 -5.174) 5.174 6.096 ( 4.651 0.000 -7.858) 9.132 6.147 ( -1.852 -0.000 0.857) 2.041 6.213 ( 10.091 0.000 -2.788) 10.468 6.357 ( 1.265 0.000 -1.684) 2.106 6.513 ( 2.040 0.000 4.046) 4.531 6.629 ( -2.192 -0.000 6.433) 6.796 6.751 ( -0.822 -0.000 -2.711) 2.833 6.788 ( -6.016 -0.000 -4.156) 7.312 6.837 ( -8.310 -0.000 0.005) 8.310 6.957 ( 3.701 0.000 3.462) 5.068 6.966 ( 0.969 0.000 -5.756) 5.837 7.195 ( 1.453 0.000 2.880) 3.226 7.303 ( 4.640 0.000 -8.559) 9.736 7.446 ( -4.228 -0.000 1.320) 4.429 7.663 ( -2.047 -0.000 -10.934) 11.124 7.790 ( -1.898 -0.000 -0.259) 1.916 7.835 ( 6.000 0.000 4.101) 7.268 7.885 ( 2.208 0.000 3.596) 4.220 8.096 ( -0.952 -0.000 3.635) 3.758 8.171 ( 8.118 0.000 -5.978) 10.082 8.252 ( 1.973 0.000 3.399) 3.930 8.411 ( 7.528 0.000 0.982) 7.592 8.419 ( 0.794 0.000 11.194) 11.223 8.629 ( 3.004 0.000 3.978) 4.985 8.844 ( -13.040 -0.000 -5.814) 14.277 8.993 ( -4.167 -0.000 5.209) 6.670 9.167 ( -1.027 -0.000 0.166) 1.040 9.307 ( -6.433 -0.000 -9.473) 11.451 9.312 ( 1.708 0.000 -8.272) 8.447 9.583 ( 5.328 0.000 -5.192) 7.439 9.780 ( -4.792 -0.000 5.243) 7.103 9.872 ( -5.869 -0.000 -1.970) 6.191 9.934 ( -1.187 -0.000 -3.857) 4.035 10.129 ( -2.274 -0.000 1.690) 2.834 10.358 ( -2.721 -0.000 0.055) 2.722 10.383 ( -4.752 -0.000 1.101) 4.878 10.683 ( -1.092 -0.000 2.209) 2.464 10.826 ( 4.609 0.000 -2.918) 5.455 10.877 ( -6.762 -0.000 -6.110) 9.113 11.087 ( 5.719 0.000 -2.591) 6.279 11.517 ( 1.509 0.000 -6.560) 6.732 11.560 ( 7.229 0.000 -13.061) 14.929 11.685 ( -16.129 -0.000 5.348) 16.992 11.736 ( -6.320 -0.000 -3.960) 7.458 12.261 ( 3.639 0.000 -0.266) 3.649 12.267 ( 0.065 0.000 -0.863) 0.865 12.367 ( 8.908 0.000 -1.582) 9.048 12.814 ( -4.161 -0.000 -0.547) 4.197 12.842 ( -8.083 -0.000 7.206) 10.829 12.966 ( 0.961 0.000 -0.007) 0.961 13.097 ( 2.036 0.000 -0.642) 2.135 13.489 ( 4.718 0.000 -2.165) 5.191 14.241 ( 10.912 0.000 -4.329) 11.739 14.569 ( -3.088 -0.000 -1.877) 3.614 15.023 ( 1.026 0.000 6.391) 6.473 16.083 ( -14.306 -0.000 -4.995) 15.153 17.029 ( 6.616 0.000 15.607) 16.951 17.074 ( -15.940 -0.000 -0.973) 15.970 18.605 ( -5.368 -0.000 -2.248) 5.820 18.894 ( -4.320 -0.000 -0.048) 4.320 19.280 ( 13.893 0.000 3.493) 14.326 19.606 ( -10.598 -0.000 10.120) 14.654 20.308 ( -19.253 -0.000 -16.536) 25.380 21.221 ( 3.542 0.000 3.205) 4.776 21.416 ( 0.914 0.000 0.821) 1.229 21.747 ( 18.925 0.000 1.720) 19.003 21.848 ( 1.247 0.000 2.443) 2.743 22.417 ( 2.791 0.000 -2.600) 3.815 ======================= Grid point 150 (77/97) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( -0.963 -0.000 2.873) 3.030 2.116 ( -2.491 -0.000 6.783) 7.226 2.153 ( -1.082 -0.000 12.484) 12.531 2.784 ( -1.571 -0.000 -0.501) 1.649 3.232 ( -0.445 -0.000 -1.146) 1.230 3.296 ( -1.686 -0.000 2.086) 2.683 3.436 ( -0.559 -0.000 -0.380) 0.676 3.454 ( -5.682 -0.000 -3.305) 6.573 3.529 ( 3.135 0.000 -4.160) 5.209 3.684 ( -0.274 -0.000 3.750) 3.760 3.799 ( 2.182 0.000 -0.899) 2.360 3.970 ( 0.912 0.000 2.159) 2.344 4.073 ( -0.039 -0.000 3.721) 3.721 4.080 ( 1.552 0.000 -2.494) 2.937 4.169 ( -2.083 -0.000 1.507) 2.571 4.274 ( -0.595 -0.000 -0.308) 0.670 4.376 ( -2.563 -0.000 -0.179) 2.569 4.557 ( -0.687 -0.000 5.810) 5.850 4.764 ( -0.168 -0.000 -2.240) 2.246 5.056 ( -0.801 -0.000 4.996) 5.060 5.072 ( 1.734 0.000 0.893) 1.950 5.237 ( 3.038 0.000 -1.763) 3.512 5.432 ( -1.677 -0.000 -0.281) 1.700 5.594 ( 2.713 0.000 -1.452) 3.077 5.710 ( -2.180 -0.000 3.364) 4.009 5.757 ( 3.474 0.000 -1.906) 3.963 5.788 ( 6.670 0.000 -8.884) 11.109 5.836 ( -1.552 -0.000 0.199) 1.564 6.008 ( -1.507 -0.000 -2.594) 3.000 6.087 ( -1.350 -0.000 1.043) 1.706 6.249 ( -0.235 -0.000 -1.612) 1.629 6.294 ( 1.102 0.000 0.823) 1.375 6.519 ( 0.821 0.000 1.226) 1.476 6.558 ( 1.993 0.000 -3.059) 3.651 6.617 ( -0.984 -0.000 -0.740) 1.231 6.894 ( 4.012 0.000 2.954) 4.982 6.934 ( 0.774 0.000 -1.992) 2.137 6.935 ( -8.819 -0.000 3.162) 9.369 7.089 ( -0.664 -0.000 2.042) 2.147 7.162 ( -0.460 -0.000 -2.435) 2.478 7.199 ( 0.353 0.000 -3.199) 3.219 7.436 ( 0.394 0.000 2.258) 2.293 7.669 ( 4.514 0.000 -1.089) 4.643 7.761 ( -7.106 -0.000 -0.639) 7.134 7.777 ( 5.007 0.000 -1.629) 5.265 8.125 ( 1.602 0.000 2.332) 2.829 8.157 ( 2.576 0.000 1.747) 3.113 8.226 ( 2.363 0.000 -1.031) 2.579 8.323 ( 0.855 0.000 -1.019) 1.330 8.461 ( 0.848 0.000 0.949) 1.273 8.510 ( 0.949 0.000 -3.606) 3.729 8.743 ( -0.562 -0.000 7.570) 7.590 8.796 ( -2.787 -0.000 -3.385) 4.385 8.905 ( 0.872 0.000 -8.222) 8.268 8.910 ( -2.613 -0.000 -0.088) 2.615 9.131 ( 4.827 0.000 4.636) 6.693 9.133 ( -2.436 -0.000 -2.685) 3.625 9.593 ( -0.882 -0.000 -0.267) 0.921 9.613 ( -1.752 -0.000 -6.451) 6.685 9.704 ( -0.318 -0.000 0.247) 0.402 9.975 ( 1.219 0.000 4.405) 4.570 10.089 ( -3.085 -0.000 6.499) 7.194 10.290 ( 1.620 0.000 -4.698) 4.969 10.355 ( -0.817 -0.000 1.289) 1.526 10.686 ( -0.740 -0.000 0.232) 0.776 10.732 ( -4.691 -0.000 -5.270) 7.055 10.907 ( 4.672 0.000 -1.841) 5.022 10.920 ( 0.341 0.000 1.000) 1.056 11.407 ( -4.330 -0.000 2.146) 4.833 11.433 ( 1.276 0.000 -3.290) 3.528 11.479 ( 3.939 0.000 -6.067) 7.234 11.686 ( 1.218 0.000 1.589) 2.002 12.257 ( -1.218 -0.000 3.289) 3.507 12.349 ( 1.200 0.000 -0.496) 1.299 12.385 ( 0.347 0.000 -4.683) 4.696 12.748 ( 0.448 0.000 0.275) 0.526 12.853 ( -2.979 -0.000 4.441) 5.348 12.933 ( -0.323 -0.000 -1.269) 1.310 13.154 ( 1.737 0.000 1.505) 2.298 13.436 ( 1.911 0.000 -5.555) 5.875 14.424 ( -1.317 -0.000 -0.283) 1.347 14.528 ( 1.210 0.000 1.325) 1.794 15.243 ( -0.036 -0.000 3.005) 3.005 15.880 ( -0.066 -0.000 1.736) 1.737 16.779 ( -1.365 -0.000 0.697) 1.533 17.827 ( 3.058 0.000 13.368) 13.713 18.455 ( 0.644 0.000 1.247) 1.404 18.984 ( 1.057 0.000 1.734) 2.031 19.043 ( -7.097 -0.000 -15.879) 17.393 19.555 ( -1.754 -0.000 2.738) 3.251 19.845 ( 2.378 0.000 2.654) 3.564 21.351 ( -1.289 -0.000 -0.362) 1.339 21.361 ( 1.413 0.000 -0.184) 1.425 21.661 ( -0.222 -0.000 -0.221) 0.313 22.346 ( 3.043 0.000 -0.577) 3.097 22.423 ( -0.763 -0.000 -0.765) 1.081 ======================= Grid point 151 (78/97) ======================= q-point: ( 0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 0.636 0.093 3.050) 3.117 2.293 ( 10.952 -4.388 3.930) 12.436 2.372 ( 11.738 -13.311 9.083) 19.936 2.820 ( 1.939 -4.594 3.225) 5.938 3.180 ( -6.352 -0.398 2.064) 6.690 3.276 ( -0.681 2.246 5.422) 5.908 3.367 ( -5.278 2.519 1.680) 6.085 3.440 ( 0.356 -4.895 -3.725) 6.161 3.571 ( -0.066 2.730 0.169) 2.736 3.634 ( -1.453 -1.122 1.510) 2.377 3.769 ( -3.256 -0.082 -3.977) 5.141 3.946 ( -2.900 0.908 -0.205) 3.045 4.055 ( -0.149 2.411 -3.073) 3.909 4.101 ( 2.095 1.336 1.681) 3.000 4.196 ( 1.891 4.486 -0.795) 4.933 4.248 ( 4.998 2.886 3.997) 7.020 4.388 ( -4.395 -6.340 2.084) 7.991 4.538 ( -2.193 2.718 4.323) 5.557 4.758 ( -0.016 -0.564 -0.738) 0.929 5.073 ( -1.113 -2.330 2.014) 3.275 5.102 ( 3.564 2.401 -1.701) 4.622 5.239 ( -1.353 0.917 -0.521) 1.716 5.412 ( -2.237 -1.992 -1.988) 3.595 5.553 ( -5.126 2.645 0.162) 5.771 5.644 ( 0.105 3.727 -6.386) 7.395 5.680 ( -5.406 4.666 -0.991) 7.210 5.825 ( 2.256 0.314 -8.257) 8.566 5.856 ( 1.242 0.252 0.826) 1.512 5.990 ( 0.990 2.181 1.019) 2.603 6.069 ( 0.670 3.232 1.987) 3.852 6.187 ( -5.866 6.396 -0.569) 8.697 6.270 ( 3.537 5.150 -0.374) 6.259 6.531 ( 3.429 2.372 -0.689) 4.226 6.565 ( 2.945 -2.462 -1.647) 4.177 6.646 ( -3.387 -3.938 -0.346) 5.206 6.728 ( -2.995 5.139 -2.247) 6.358 6.906 ( 6.852 7.109 6.037) 11.573 6.999 ( -6.218 -11.080 0.246) 12.708 7.103 ( -4.254 1.347 -0.890) 4.550 7.137 ( -5.216 -0.225 -1.578) 5.454 7.241 ( 1.051 -10.838 1.752) 11.029 7.461 ( 0.154 0.855 -0.138) 0.880 7.720 ( 3.063 0.658 -1.055) 3.306 7.740 ( 4.989 -1.980 -2.038) 5.741 7.868 ( 6.815 3.592 -0.478) 7.718 8.053 ( -2.300 6.003 0.397) 6.441 8.158 ( -2.081 -0.651 -5.036) 5.488 8.275 ( 7.299 3.463 -1.481) 8.214 8.410 ( -0.849 -3.693 -2.582) 4.586 8.436 ( -5.734 0.882 -2.290) 6.237 8.479 ( 1.532 -4.854 0.187) 5.093 8.743 ( 1.794 4.924 2.858) 5.970 8.772 ( 0.625 2.610 4.322) 5.087 8.910 ( 2.818 -1.616 -6.643) 7.395 8.947 ( 2.811 -3.814 3.348) 5.801 9.129 ( 0.724 -1.511 1.679) 2.372 9.155 ( -2.829 -2.052 -4.193) 5.458 9.552 ( -3.648 -0.821 1.485) 4.023 9.640 ( 5.290 -2.025 -1.742) 5.927 9.738 ( 2.230 -1.234 0.846) 2.685 10.014 ( 0.761 -1.756 0.460) 1.969 10.109 ( -0.026 -1.010 6.601) 6.677 10.303 ( 1.423 -1.858 -3.728) 4.402 10.365 ( 0.136 -1.192 1.523) 1.939 10.631 ( -6.397 -4.125 3.116) 8.225 10.720 ( -0.472 -3.875 1.153) 4.071 10.876 ( -1.233 0.583 -4.314) 4.524 10.985 ( -0.042 -1.908 -0.601) 2.001 11.366 ( 2.957 5.910 -0.758) 6.652 11.422 ( -0.769 0.159 -3.106) 3.204 11.488 ( 4.177 4.662 -3.913) 7.381 11.832 ( 7.053 -10.873 0.916) 12.993 12.198 ( -0.952 6.223 2.208) 6.671 12.339 ( -1.920 0.549 -2.666) 3.331 12.425 ( -0.231 -7.947 -1.096) 8.026 12.757 ( 1.035 0.749 0.582) 1.404 12.840 ( -2.037 0.019 4.477) 4.919 12.943 ( 1.161 -0.519 0.001) 1.272 13.178 ( 2.921 1.918 -0.936) 3.618 13.444 ( 2.847 0.092 -4.829) 5.606 14.328 ( -8.544 1.478 0.319) 8.677 14.556 ( 3.123 1.830 -0.746) 3.696 15.226 ( -2.449 0.883 1.351) 2.933 15.948 ( 2.900 -4.251 1.523) 5.366 16.829 ( 6.675 0.006 1.928) 6.948 17.807 ( -7.129 3.930 2.207) 8.435 18.486 ( -1.377 -4.583 -1.143) 4.920 18.963 ( -0.177 0.366 -1.125) 1.196 19.001 ( 1.888 -1.918 2.369) 3.585 19.604 ( 1.897 -1.597 3.543) 4.324 19.960 ( 8.956 -5.726 -0.978) 10.675 21.352 ( 1.291 0.432 0.953) 1.662 21.379 ( 1.328 -0.681 -1.512) 2.125 21.642 ( -1.797 1.325 0.516) 2.291 22.259 ( -9.831 3.555 -3.305) 10.964 22.386 ( 0.651 3.947 -0.731) 4.067 ======================= Grid point 152 (79/97) ======================= q-point: (-0.67 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( 1.359 -0.872 2.191) 2.722 2.513 ( 6.920 -4.469 0.173) 8.240 2.725 ( 4.761 -8.990 7.636) 12.720 3.007 ( 5.625 -5.869 11.508) 14.090 3.100 ( -5.805 -0.618 3.724) 6.925 3.261 ( -6.008 -0.120 4.072) 7.259 3.320 ( 4.191 -1.344 4.093) 6.010 3.446 ( -1.901 4.641 0.342) 5.027 3.568 ( 3.753 -5.817 0.561) 6.945 3.680 ( 1.581 -0.424 -5.182) 5.435 3.741 ( 1.555 -3.113 -0.981) 3.615 3.896 ( -1.397 -0.315 -0.366) 1.478 3.988 ( -0.821 3.212 -4.275) 5.410 4.089 ( -0.085 5.020 -2.443) 5.583 4.144 ( -0.162 2.780 2.353) 3.646 4.331 ( 7.247 3.342 0.885) 8.029 4.388 ( -5.443 -3.355 2.750) 6.960 4.507 ( -0.941 0.812 4.858) 5.014 4.768 ( 0.614 -0.798 -0.914) 1.360 5.065 ( 0.458 3.207 -5.380) 6.280 5.114 ( 1.938 2.438 2.306) 3.875 5.196 ( -3.788 -2.929 2.342) 5.330 5.270 ( -11.041 8.173 -7.061) 15.446 5.449 ( -5.630 2.400 -0.074) 6.121 5.543 ( -2.223 -3.086 0.690) 3.866 5.589 ( -0.213 3.256 -7.501) 8.180 5.769 ( 0.365 5.758 -1.130) 5.879 5.833 ( 1.166 1.869 -5.755) 6.162 5.977 ( -3.148 2.408 6.855) 7.918 6.009 ( -5.139 4.006 -0.480) 6.534 6.068 ( 3.671 1.150 -1.130) 4.009 6.281 ( 3.654 2.038 -0.499) 4.213 6.528 ( 2.918 2.357 -3.678) 5.254 6.594 ( -2.068 -4.296 -2.346) 5.314 6.714 ( 8.605 -2.129 1.770) 9.039 6.746 ( 2.272 -1.047 1.216) 2.781 6.952 ( -4.783 2.236 2.132) 5.694 6.995 ( 3.587 2.395 5.704) 7.151 7.045 ( -4.421 -3.866 -0.964) 5.951 7.058 ( -2.237 -0.663 -3.123) 3.899 7.317 ( -8.204 -6.200 -2.893) 10.683 7.496 ( 5.804 -1.855 -3.714) 7.136 7.714 ( 1.576 3.521 -4.398) 5.850 7.780 ( 4.837 4.438 1.003) 6.641 7.910 ( -1.739 0.035 2.981) 3.451 7.967 ( -0.058 3.010 0.618) 3.073 8.109 ( -2.734 -3.641 -6.978) 8.333 8.242 ( -6.751 2.123 -2.448) 7.488 8.342 ( 2.501 2.420 -3.636) 5.033 8.390 ( 0.631 3.794 1.099) 4.000 8.618 ( -0.376 -6.901 5.367) 8.750 8.739 ( 4.235 5.996 4.128) 8.422 8.771 ( 5.062 6.367 4.641) 9.365 8.932 ( 1.248 -3.186 -7.295) 8.058 9.073 ( -2.643 -4.004 -5.167) 7.051 9.092 ( 3.150 -2.868 0.069) 4.260 9.206 ( 1.426 -2.519 2.869) 4.076 9.520 ( -4.012 -2.443 0.230) 4.703 9.744 ( 5.259 0.379 0.687) 5.318 9.800 ( 2.622 -1.857 0.493) 3.250 10.059 ( 1.203 -3.627 -1.376) 4.061 10.167 ( 1.085 -1.191 5.297) 5.537 10.325 ( -0.278 -2.084 -2.687) 3.412 10.406 ( 0.921 -2.343 1.732) 3.056 10.687 ( -0.752 -7.517 5.369) 9.268 10.775 ( -3.709 -6.562 2.133) 7.834 10.833 ( -0.039 -0.275 -2.825) 2.839 10.968 ( -2.039 0.518 -0.675) 2.210 11.326 ( 3.315 4.683 -4.874) 7.529 11.362 ( -3.489 1.964 -2.733) 4.847 11.461 ( 3.267 4.227 -3.468) 6.369 12.081 ( 3.962 -6.288 2.647) 7.889 12.131 ( 1.568 2.487 0.911) 3.078 12.288 ( -1.408 0.723 -2.587) 3.033 12.538 ( 0.821 -9.367 -0.170) 9.405 12.755 ( -0.889 2.716 4.205) 5.084 12.853 ( 2.095 -1.230 0.792) 2.556 12.958 ( 0.005 0.581 0.724) 0.929 13.180 ( 2.186 2.858 -2.323) 4.283 13.456 ( 2.117 1.424 -2.710) 3.722 14.179 ( -6.081 2.038 -1.710) 6.637 14.565 ( 1.732 1.485 -1.329) 2.640 15.178 ( -2.744 0.730 0.275) 2.853 16.051 ( 2.023 -3.443 2.063) 4.495 16.978 ( 10.594 0.257 3.919) 11.298 17.601 ( -11.120 3.754 -4.407) 12.536 18.546 ( -0.399 -8.317 0.125) 8.327 18.898 ( -2.430 4.033 -3.529) 5.884 19.137 ( 4.763 -3.095 6.770) 8.837 19.634 ( 0.227 1.310 1.484) 1.992 20.272 ( 14.817 -12.598 1.933) 19.545 21.351 ( -1.825 0.731 -2.766) 3.393 21.418 ( 3.885 0.171 0.136) 3.892 21.558 ( -5.536 4.860 3.911) 8.340 22.012 ( -9.446 5.127 -4.373) 11.603 22.331 ( -0.867 2.527 -2.167) 3.440 ======================= Grid point 153 (80/97) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( -2.094 -1.814 1.222) 3.028 2.539 ( -6.170 3.591 6.685) 9.780 2.871 ( -0.415 -4.846 5.582) 7.403 3.086 ( 4.318 1.424 1.446) 4.772 3.137 ( -4.461 -1.565 11.367) 12.311 3.272 ( 0.659 -3.675 4.301) 5.696 3.316 ( -2.388 4.847 1.189) 5.532 3.479 ( 6.113 -1.026 0.497) 6.218 3.582 ( -5.476 -0.657 -3.385) 6.471 3.737 ( -1.157 -1.043 -0.124) 1.562 3.819 ( 2.392 -3.389 -2.996) 5.116 3.863 ( 1.227 4.804 -1.642) 5.223 3.936 ( -1.653 1.277 -0.032) 2.089 4.059 ( 5.652 0.032 1.060) 5.750 4.101 ( -3.326 0.553 -2.227) 4.041 4.350 ( -4.486 -2.425 1.543) 5.328 4.391 ( 8.113 6.265 -0.476) 10.262 4.557 ( -0.292 -1.622 6.880) 7.074 4.783 ( 1.119 -0.306 -0.685) 1.347 4.901 ( -4.644 5.156 -1.382) 7.075 5.061 ( 0.822 1.074 -4.552) 4.749 5.163 ( 2.633 -0.482 2.342) 3.556 5.209 ( -3.804 -2.504 -1.012) 4.665 5.361 ( -4.217 -3.736 0.366) 5.646 5.482 ( 2.161 4.269 -5.405) 7.219 5.600 ( 1.743 -2.203 -0.946) 2.964 5.786 ( -0.163 2.295 -5.293) 5.771 5.804 ( 4.662 -2.372 0.509) 5.256 5.834 ( -6.253 0.852 -1.022) 6.393 5.996 ( 0.865 1.732 5.758) 6.075 6.121 ( 4.083 -1.243 -4.822) 6.439 6.304 ( 0.065 -1.358 -1.188) 1.805 6.518 ( 0.313 0.398 -1.754) 1.826 6.659 ( 1.292 -3.534 -0.288) 3.774 6.779 ( -0.399 -0.376 1.098) 1.227 6.835 ( -0.548 3.020 4.005) 5.046 6.859 ( 2.294 -0.795 -0.791) 2.554 6.996 ( -3.138 2.044 0.211) 3.751 7.026 ( 1.312 0.393 -0.211) 1.386 7.088 ( 5.344 1.443 -4.072) 6.871 7.232 ( -5.854 -5.317 -1.644) 8.077 7.491 ( -2.750 1.760 -4.802) 5.807 7.687 ( -0.419 2.325 0.235) 2.374 7.850 ( 5.906 -0.097 4.047) 7.160 7.863 ( -1.965 0.217 1.097) 2.261 7.957 ( 0.471 2.203 -2.646) 3.475 8.089 ( -2.568 -2.166 0.891) 3.475 8.126 ( -2.350 1.107 -1.633) 3.068 8.330 ( 1.060 0.397 -3.252) 3.444 8.375 ( 2.092 2.770 1.178) 3.666 8.666 ( -2.361 -0.183 7.924) 8.270 8.746 ( 2.522 4.775 3.235) 6.295 8.815 ( 6.353 5.092 4.845) 9.475 8.952 ( 0.888 -3.228 -8.084) 8.750 9.020 ( -5.729 -7.029 -10.106) 13.578 9.186 ( 1.482 0.242 2.054) 2.545 9.246 ( 0.233 -0.791 1.242) 1.491 9.505 ( -0.487 -1.222 -0.951) 1.623 9.792 ( 1.129 -0.478 0.358) 1.277 9.842 ( 1.049 -0.612 -1.531) 1.955 10.086 ( -2.023 0.583 0.727) 2.228 10.208 ( -0.893 -0.434 3.831) 3.958 10.319 ( -1.143 -0.955 -1.200) 1.912 10.445 ( -0.320 -0.844 0.812) 1.214 10.747 ( -1.133 -0.371 1.403) 1.841 10.825 ( -1.970 -5.140 1.472) 5.697 10.851 ( 3.054 1.390 0.478) 3.390 10.955 ( 0.045 -3.963 -3.648) 5.387 11.260 ( -7.949 -3.459 -0.558) 8.686 11.318 ( 7.787 4.928 -5.934) 10.961 11.445 ( 1.338 1.323 -2.529) 3.152 12.084 ( -0.739 -0.287 1.376) 1.589 12.208 ( -0.163 0.047 1.529) 1.539 12.262 ( 1.301 0.386 -2.512) 2.855 12.629 ( -0.446 1.813 1.874) 2.645 12.746 ( 0.930 -3.471 1.010) 3.732 12.925 ( -1.490 1.056 0.448) 1.881 12.932 ( 3.641 -0.533 -0.597) 3.728 13.134 ( -3.788 1.552 0.932) 4.199 13.445 ( 0.468 0.933 -0.698) 1.256 14.118 ( 3.364 1.498 -3.773) 5.272 14.560 ( -0.082 0.303 -0.880) 0.934 15.141 ( -0.980 0.617 0.938) 1.490 16.098 ( -0.902 -0.566 1.906) 2.184 17.149 ( 7.068 0.907 6.607) 9.717 17.372 ( -8.759 2.276 -4.726) 10.210 18.673 ( 0.548 -6.414 2.993) 7.099 18.767 ( -2.576 3.841 -4.949) 6.774 19.247 ( 3.055 -1.005 2.174) 3.883 19.618 ( -0.996 0.242 0.661) 1.220 20.591 ( 2.907 -3.778 -0.353) 4.780 21.213 ( -5.927 2.249 1.161) 6.445 21.444 ( -0.103 1.158 0.726) 1.371 21.532 ( 6.944 0.575 1.330) 7.093 21.864 ( -3.646 0.325 -2.056) 4.199 22.295 ( 0.700 0.304 -2.245) 2.371 ======================= Grid point 154 (81/97) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -5.768 -2.484 2.111) 6.626 2.382 ( -10.606 6.806 11.642) 17.156 2.806 ( -11.025 10.357 3.487) 15.523 3.029 ( -8.909 6.170 5.323) 12.074 3.167 ( 5.404 0.239 -3.113) 6.241 3.288 ( 1.919 -1.107 2.564) 3.388 3.387 ( -6.385 -0.641 -1.078) 6.507 3.402 ( 3.337 -4.324 3.113) 6.287 3.610 ( 5.243 2.004 -0.028) 5.613 3.662 ( -3.563 1.289 -3.753) 5.333 3.773 ( -2.940 2.859 -2.064) 4.591 3.853 ( 2.318 2.024 2.731) 4.114 3.974 ( 1.229 -3.631 1.703) 4.194 4.035 ( -3.434 -2.915 -1.481) 4.742 4.174 ( 5.154 -1.608 -0.280) 5.406 4.326 ( -3.637 -1.965 0.552) 4.171 4.410 ( 5.026 6.413 1.707) 8.325 4.527 ( -4.086 -0.728 2.421) 4.805 4.797 ( 0.962 -0.046 -2.575) 2.749 4.947 ( 4.831 0.120 3.596) 6.024 5.100 ( -2.298 -0.909 1.203) 2.749 5.196 ( 0.211 0.671 1.639) 1.784 5.214 ( 6.927 -8.778 -2.369) 11.430 5.425 ( 3.063 -3.501 2.024) 5.073 5.533 ( 6.242 -2.612 -2.270) 7.137 5.620 ( 4.987 3.819 -6.300) 8.896 5.734 ( -4.724 -3.228 0.824) 5.781 5.773 ( -0.892 -3.640 1.003) 3.879 5.973 ( 5.982 -4.907 1.769) 7.937 6.040 ( 3.655 -1.534 0.934) 4.072 6.146 ( 0.723 -0.573 -5.194) 5.276 6.299 ( -3.909 -4.183 -2.374) 6.198 6.521 ( -0.921 -3.466 -2.981) 4.664 6.620 ( -0.577 4.044 -3.991) 5.711 6.738 ( -8.017 4.892 -2.401) 9.694 6.758 ( -2.582 0.816 0.445) 2.744 6.916 ( 0.336 -3.789 8.635) 9.436 7.003 ( 5.400 1.548 0.457) 5.636 7.048 ( 3.810 2.347 -0.405) 4.493 7.116 ( 2.822 -1.747 -6.518) 7.314 7.276 ( 5.376 1.633 -0.059) 5.619 7.414 ( -3.366 -0.575 2.744) 4.380 7.635 ( -3.951 1.685 3.440) 5.503 7.837 ( -5.170 0.207 -3.399) 6.191 7.911 ( 2.770 0.484 3.917) 4.822 7.946 ( 4.063 -0.580 0.432) 4.126 8.057 ( -2.654 0.670 -1.958) 3.365 8.178 ( 4.118 -1.541 4.305) 6.153 8.334 ( 0.458 -1.658 -3.049) 3.500 8.391 ( 3.090 1.670 1.242) 3.726 8.672 ( -2.462 0.614 8.575) 8.942 8.701 ( -1.419 5.042 -0.933) 5.321 8.879 ( 7.139 5.697 7.961) 12.116 8.930 ( -5.036 -5.624 -9.871) 12.427 8.980 ( -1.995 -4.465 -9.992) 11.125 9.132 ( -5.334 2.125 -0.435) 5.759 9.256 ( 0.136 1.035 -1.199) 1.590 9.529 ( 3.674 0.621 -1.223) 3.922 9.785 ( -4.047 -1.781 -1.787) 4.769 9.836 ( -0.496 0.480 -3.388) 3.458 9.997 ( -4.012 5.177 3.850) 7.597 10.186 ( -3.519 0.932 3.075) 4.766 10.310 ( -0.669 -0.411 -0.916) 1.207 10.421 ( -1.896 1.536 0.204) 2.449 10.734 ( -0.438 1.534 0.977) 1.871 10.807 ( 0.461 2.992 -0.777) 3.125 10.854 ( 2.441 5.091 -4.739) 7.371 11.000 ( 0.933 -3.463 -3.983) 5.359 11.263 ( -5.215 -11.179 3.244) 12.755 11.373 ( 7.823 1.706 -4.586) 9.228 11.444 ( 0.212 -1.830 -2.489) 3.097 12.082 ( -7.144 4.140 3.751) 9.069 12.137 ( -0.342 0.023 -1.907) 1.937 12.288 ( 3.133 -0.485 -1.782) 3.637 12.532 ( 0.410 10.165 0.422) 10.182 12.811 ( -1.447 -1.196 -1.529) 2.422 12.874 ( -1.484 -1.499 0.234) 2.123 12.972 ( -0.309 0.094 -0.344) 0.472 13.090 ( -3.341 -2.640 4.337) 6.078 13.443 ( 0.723 0.489 -1.161) 1.453 14.195 ( 9.886 0.001 -2.939) 10.314 14.547 ( -1.858 -0.953 0.301) 2.110 15.150 ( 1.439 0.135 2.725) 3.085 16.053 ( -4.124 2.881 1.354) 5.209 17.059 ( -12.578 1.195 -2.703) 12.920 17.415 ( 9.917 1.208 11.180) 14.993 18.583 ( -3.151 5.803 -3.098) 7.294 18.843 ( 2.288 -5.691 2.464) 6.610 19.279 ( 0.397 -1.346 -5.580) 5.754 19.618 ( -0.551 -0.821 2.412) 2.607 20.330 ( -17.742 13.122 -4.495) 22.521 21.269 ( 2.835 -2.566 4.972) 6.272 21.429 ( -0.816 0.688 -0.540) 1.197 21.651 ( 3.105 -2.902 -4.674) 6.318 21.915 ( 9.662 -4.144 5.029) 11.654 22.325 ( 2.537 -2.238 -1.504) 3.702 ======================= Grid point 155 (82/97) ======================= q-point: (-0.17 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.746 ( -4.546 -2.273 3.176) 5.993 2.202 ( -9.105 6.290 12.068) 16.374 2.384 ( -19.907 14.197 7.780) 25.659 2.863 ( -4.534 3.916 -1.893) 6.283 3.213 ( 3.261 0.432 -1.484) 3.609 3.314 ( -2.477 -1.101 -0.617) 2.780 3.387 ( 3.705 -2.836 0.961) 4.763 3.524 ( 2.136 0.768 -6.916) 7.279 3.597 ( -4.239 -1.488 -1.182) 4.646 3.639 ( 0.910 0.968 3.652) 3.887 3.702 ( 4.736 1.695 0.807) 5.094 3.906 ( 3.855 -0.074 3.692) 5.338 4.040 ( 2.338 -3.106 -2.536) 4.642 4.074 ( -2.066 -3.233 5.181) 6.446 4.206 ( -2.207 -1.305 -2.644) 3.683 4.289 ( -2.979 -1.040 -1.128) 3.350 4.415 ( 2.038 3.474 2.155) 4.568 4.519 ( -1.131 -1.737 3.622) 4.173 4.784 ( 0.182 0.650 -3.274) 3.343 5.020 ( 2.194 0.028 5.097) 5.549 5.067 ( -2.205 0.024 2.642) 3.442 5.200 ( 1.187 0.125 0.716) 1.391 5.433 ( 4.818 -2.017 -1.752) 5.510 5.536 ( 6.019 -0.435 0.210) 6.039 5.579 ( 6.361 -2.499 -1.602) 7.020 5.697 ( 1.302 -6.157 -2.651) 6.829 5.738 ( 3.021 0.452 0.551) 3.104 5.847 ( 0.931 -2.485 1.518) 3.057 6.050 ( 0.208 -0.442 -2.159) 2.214 6.099 ( -3.144 -1.750 -1.543) 3.915 6.199 ( 4.379 -7.251 -0.703) 8.500 6.279 ( -3.481 -3.534 -2.467) 5.540 6.515 ( -1.744 -0.765 -1.123) 2.211 6.548 ( -1.819 4.666 0.840) 5.078 6.659 ( 2.274 -2.747 -1.872) 4.028 6.716 ( -0.596 -3.929 -0.453) 3.999 6.966 ( -4.962 -4.807 1.582) 7.088 7.005 ( 4.755 9.278 -0.296) 10.430 7.104 ( 4.289 1.488 1.971) 4.949 7.155 ( 2.978 -1.662 -5.769) 6.701 7.262 ( 1.344 8.671 -0.038) 8.775 7.436 ( -0.497 -1.654 2.559) 3.087 7.606 ( 0.369 0.303 4.867) 4.891 7.746 ( -1.920 1.292 -0.928) 2.494 7.929 ( -8.054 -1.270 -4.189) 9.167 8.026 ( 1.466 -4.142 2.773) 5.195 8.052 ( 6.179 -2.088 3.193) 7.261 8.227 ( -2.844 -0.756 2.981) 4.189 8.368 ( 4.065 2.290 -0.868) 4.745 8.431 ( 2.529 0.547 1.301) 2.896 8.536 ( -2.544 6.234 -4.525) 8.112 8.707 ( -0.028 0.694 8.857) 8.884 8.855 ( -6.244 -5.373 -6.548) 10.523 8.947 ( -0.976 -0.911 -8.052) 8.162 9.002 ( 8.257 1.821 6.944) 10.941 9.008 ( -4.817 3.003 -2.820) 6.338 9.205 ( -2.733 1.167 -3.827) 4.845 9.573 ( 3.692 0.729 -1.058) 3.909 9.704 ( -5.314 -0.614 -5.374) 7.583 9.765 ( -3.884 1.981 -2.293) 4.926 9.946 ( 0.351 2.544 5.928) 6.460 10.129 ( -4.438 1.068 4.157) 6.174 10.298 ( 0.368 0.194 -3.025) 3.053 10.376 ( -1.520 1.258 0.563) 2.052 10.706 ( -1.000 0.532 -1.409) 1.808 10.781 ( 2.811 2.999 -4.443) 6.053 10.823 ( 6.516 4.618 -1.857) 8.200 10.989 ( -4.875 -0.784 -0.361) 4.951 11.370 ( -1.870 -9.874 0.955) 10.095 11.426 ( 3.700 0.052 -4.111) 5.532 11.471 ( -0.141 -3.160 -3.519) 4.732 11.816 ( -8.191 12.972 2.620) 15.564 12.198 ( -0.159 -6.186 0.858) 6.247 12.337 ( 3.063 0.015 -1.169) 3.278 12.432 ( 1.943 7.528 -1.914) 8.007 12.759 ( -1.727 0.989 -0.190) 1.999 12.878 ( -3.416 -1.393 2.630) 4.531 12.955 ( -1.029 0.115 -0.826) 1.324 13.117 ( -0.226 -1.948 2.616) 3.269 13.440 ( 1.542 0.571 -3.839) 4.176 14.347 ( 9.346 -0.954 -1.312) 9.486 14.532 ( -3.178 -1.662 1.696) 3.967 15.200 ( 2.076 -0.603 3.671) 4.260 15.940 ( -4.334 4.362 1.773) 6.400 16.864 ( -9.324 0.381 -1.133) 9.400 17.633 ( 9.358 -0.388 16.331) 18.826 18.480 ( -1.103 3.132 -1.697) 3.729 18.936 ( 2.040 -1.825 2.955) 4.028 19.223 ( -4.257 -2.322 -16.099) 16.814 19.623 ( -1.917 1.810 1.727) 3.152 19.916 ( -11.536 8.711 2.221) 14.625 21.333 ( 1.854 0.047 2.011) 2.736 21.390 ( -2.552 0.166 -1.472) 2.951 21.662 ( -0.534 -1.156 -1.648) 2.083 22.197 ( 12.762 -3.566 2.924) 13.570 22.392 ( 1.409 -3.755 -1.221) 4.193 ======================= Grid point 157 (83/97) ======================= q-point: ( 0.17 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 1.862 0.000 4.592) 4.955 2.337 ( 6.851 0.000 3.364) 7.632 2.712 ( 22.183 0.000 3.914) 22.525 2.854 ( 4.631 0.000 4.907) 6.747 3.102 ( -5.107 -0.000 3.325) 6.094 3.265 ( -9.302 -0.000 5.470) 10.791 3.333 ( 2.509 0.000 3.776) 4.534 3.424 ( 2.276 0.000 2.582) 3.442 3.560 ( -2.083 -0.000 5.665) 6.036 3.683 ( 4.806 0.000 0.163) 4.809 3.696 ( -1.199 -0.000 -8.244) 8.331 3.870 ( -5.813 -0.000 -0.722) 5.858 4.030 ( -1.832 -0.000 -3.301) 3.776 4.154 ( 0.247 0.000 0.669) 0.713 4.212 ( -4.605 -0.000 -1.720) 4.916 4.271 ( -1.054 -0.000 -0.294) 1.094 4.420 ( 8.564 0.000 2.490) 8.919 4.530 ( -2.960 -0.000 4.025) 4.996 4.758 ( 0.793 0.000 -0.876) 1.182 5.054 ( 0.318 0.000 0.916) 0.969 5.162 ( 3.367 0.000 -3.836) 5.104 5.177 ( -6.924 -0.000 1.943) 7.191 5.377 ( 0.648 0.000 -4.385) 4.432 5.454 ( -7.888 -0.000 -1.979) 8.133 5.565 ( -6.450 -0.000 -8.540) 10.702 5.649 ( -2.531 -0.000 0.674) 2.619 5.854 ( 3.875 0.000 -6.458) 7.532 5.887 ( 1.113 0.000 1.459) 1.835 6.014 ( -4.139 -0.000 0.936) 4.244 6.109 ( 0.707 0.000 -0.576) 0.912 6.158 ( -4.088 -0.000 0.845) 4.174 6.181 ( -11.243 -0.000 -1.735) 11.376 6.558 ( 1.490 0.000 -4.079) 4.343 6.618 ( -0.627 -0.000 4.813) 4.854 6.672 ( 9.054 0.000 1.498) 9.177 6.730 ( -4.576 -0.000 -2.149) 5.055 6.812 ( 2.330 0.000 -0.127) 2.333 7.014 ( -7.479 -0.000 1.668) 7.663 7.081 ( 1.951 0.000 1.627) 2.540 7.121 ( -0.104 -0.000 3.144) 3.145 7.147 ( 1.403 0.000 -0.956) 1.698 7.479 ( 0.395 0.000 -1.528) 1.578 7.772 ( 6.007 0.000 -7.435) 9.559 7.797 ( 5.582 0.000 0.353) 5.593 7.949 ( -1.150 -0.000 -0.528) 1.266 8.023 ( -6.211 -0.000 -4.082) 7.432 8.060 ( -4.235 -0.000 -5.739) 7.132 8.269 ( -6.830 -0.000 -1.443) 6.981 8.355 ( 0.630 0.000 -0.904) 1.102 8.436 ( -2.299 -0.000 -3.458) 4.152 8.514 ( 8.210 0.000 3.988) 9.127 8.841 ( 5.703 0.000 -3.278) 6.578 8.897 ( 6.587 0.000 6.623) 9.341 8.910 ( 4.091 0.000 -1.551) 4.375 9.000 ( 4.779 0.000 5.194) 7.058 9.018 ( -6.060 -0.000 -10.340) 11.985 9.172 ( 2.561 0.000 4.408) 5.098 9.479 ( -4.926 -0.000 0.806) 4.991 9.742 ( 7.818 0.000 1.767) 8.015 9.780 ( 2.756 0.000 2.182) 3.515 9.997 ( 0.086 0.000 -2.464) 2.465 10.160 ( 2.814 0.000 5.216) 5.927 10.287 ( 0.150 0.000 -0.774) 0.788 10.379 ( 1.460 0.000 1.621) 2.182 10.512 ( -5.956 -0.000 7.980) 9.958 10.719 ( -0.070 -0.000 1.833) 1.834 10.847 ( 3.184 0.000 -4.540) 5.545 10.971 ( -3.745 -0.000 2.113) 4.300 11.347 ( -3.764 -0.000 -4.669) 5.997 11.389 ( -1.824 -0.000 -3.471) 3.921 11.706 ( 9.956 0.000 1.542) 10.075 11.849 ( 9.311 0.000 -0.957) 9.360 12.235 ( -4.103 -0.000 4.557) 6.132 12.312 ( 0.079 0.000 -3.693) 3.694 12.339 ( 0.598 0.000 -3.288) 3.342 12.801 ( 4.705 0.000 -1.000) 4.810 12.826 ( -3.795 -0.000 6.424) 7.461 12.964 ( 1.347 0.000 0.007) 1.347 13.212 ( 0.293 0.000 -0.900) 0.946 13.483 ( 5.095 0.000 -5.519) 7.511 14.208 ( -7.073 -0.000 -2.045) 7.363 14.594 ( 1.246 0.000 -1.553) 1.992 15.174 ( -4.782 -0.000 0.194) 4.786 16.024 ( 8.257 0.000 2.103) 8.520 16.982 ( 11.181 0.000 3.019) 11.581 17.645 ( -14.244 -0.000 -6.522) 15.666 18.432 ( -0.483 -0.000 0.759) 0.900 18.967 ( -0.892 -0.000 -2.423) 2.582 19.062 ( 3.222 0.000 10.850) 11.319 19.722 ( 8.706 0.000 4.417) 9.762 20.052 ( 11.812 0.000 -2.176) 12.010 21.365 ( 0.381 0.000 -4.190) 4.207 21.397 ( 1.331 0.000 1.390) 1.924 21.612 ( -4.664 -0.000 3.075) 5.587 22.071 ( -13.920 -0.000 -4.990) 14.788 22.401 ( -0.578 -0.000 -1.906) 1.992 ======================= Grid point 158 (84/97) ======================= q-point: ( 0.33 0.17 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.822 ( -0.453 1.627 4.713) 5.007 2.511 ( 6.245 -5.556 2.164) 8.634 2.805 ( -3.031 4.043 7.247) 8.835 3.027 ( 3.476 -5.655 4.462) 7.998 3.084 ( -0.259 -2.750 3.603) 4.540 3.259 ( 2.551 2.105 9.183) 9.760 3.402 ( 1.914 1.833 6.567) 7.081 3.483 ( 1.193 -0.437 1.972) 2.346 3.607 ( 4.426 1.620 -3.319) 5.765 3.661 ( 3.165 -0.252 -2.454) 4.013 3.727 ( 1.062 -2.790 -0.127) 2.988 3.834 ( -0.804 -4.680 -2.320) 5.285 3.989 ( -1.265 2.028 -1.244) 2.695 4.092 ( -3.798 -0.278 -2.105) 4.352 4.139 ( -3.332 1.336 -2.492) 4.370 4.250 ( -3.336 -2.218 -2.261) 4.600 4.490 ( 1.268 1.317 -0.383) 1.868 4.571 ( 8.861 2.202 2.683) 9.517 4.766 ( 0.819 -0.558 -1.764) 2.024 5.053 ( -3.026 2.362 -7.156) 8.121 5.106 ( -2.237 -2.986 5.312) 6.491 5.163 ( -0.850 1.584 -5.123) 5.429 5.264 ( -1.916 9.957 0.210) 10.142 5.329 ( -10.044 0.297 0.681) 10.072 5.493 ( 0.295 -5.363 -4.177) 6.804 5.614 ( 0.931 4.330 -0.061) 4.430 5.802 ( -7.021 3.722 1.565) 8.099 5.862 ( 2.070 1.514 -4.395) 5.088 5.925 ( -4.393 3.715 -1.308) 5.900 5.992 ( -5.865 -3.137 1.710) 6.867 6.124 ( 3.710 1.575 -4.882) 6.330 6.207 ( -1.907 -3.910 2.332) 4.936 6.520 ( -5.546 -1.082 -0.409) 5.665 6.594 ( 2.711 1.207 -0.670) 3.042 6.710 ( -2.440 -6.095 1.406) 6.714 6.839 ( -0.419 -0.772 0.498) 1.010 6.889 ( 5.120 -2.948 0.024) 5.908 6.933 ( -0.294 1.012 4.390) 4.514 7.041 ( -0.389 1.235 -2.309) 2.647 7.109 ( -3.613 0.208 -7.546) 8.369 7.206 ( 3.257 0.781 5.181) 6.169 7.491 ( 1.325 -0.907 -2.855) 3.275 7.782 ( 2.121 3.560 -2.859) 5.034 7.851 ( -5.133 -1.407 -1.150) 5.446 7.873 ( 1.822 0.312 -0.985) 2.095 7.971 ( -2.769 -0.873 -6.948) 7.530 8.007 ( 2.683 -0.716 1.773) 3.295 8.153 ( -5.580 1.052 -1.541) 5.884 8.357 ( -0.252 0.466 -0.928) 1.068 8.375 ( -2.915 -1.245 -4.545) 5.541 8.619 ( 0.389 -1.107 7.895) 7.982 8.863 ( -4.407 -1.964 -10.347) 11.417 8.880 ( 3.827 -1.378 -9.410) 10.251 8.962 ( 6.405 7.190 2.655) 9.989 9.019 ( 6.798 5.433 7.426) 11.440 9.139 ( 3.260 -3.226 2.457) 5.203 9.230 ( 2.444 -0.596 2.852) 3.803 9.434 ( -3.107 -2.801 0.767) 4.253 9.816 ( 1.010 1.421 1.691) 2.429 9.831 ( 2.489 -0.205 -0.300) 2.515 10.037 ( 3.693 -2.800 -0.379) 4.650 10.224 ( 2.249 1.239 4.805) 5.448 10.305 ( 1.143 -0.457 1.108) 1.656 10.421 ( 2.266 -0.554 1.655) 2.860 10.552 ( -2.696 -8.515 8.265) 12.169 10.738 ( 1.792 -0.319 2.928) 3.448 10.898 ( -3.642 -0.047 1.356) 3.887 10.906 ( 2.827 0.601 -0.995) 3.056 11.254 ( -3.771 1.260 -3.841) 5.528 11.347 ( -1.441 -1.509 -4.121) 4.619 11.709 ( 7.751 13.980 -0.732) 16.001 12.054 ( 1.999 -6.460 1.582) 6.945 12.172 ( -0.950 1.532 1.852) 2.585 12.287 ( 1.894 1.474 -3.155) 3.964 12.436 ( 3.315 -9.366 -1.714) 10.082 12.781 ( -3.676 1.759 5.299) 6.685 12.900 ( 6.195 -1.355 -0.686) 6.378 12.966 ( 0.040 1.046 -0.873) 1.363 13.170 ( -5.068 0.808 -0.886) 5.208 13.495 ( 0.188 1.858 -2.097) 2.808 14.145 ( 3.240 0.478 -6.503) 7.281 14.582 ( -0.572 0.968 -1.760) 2.089 15.114 ( -3.917 -1.507 -0.058) 4.198 16.161 ( 9.298 3.172 3.002) 10.273 17.169 ( 10.446 0.456 3.810) 11.128 17.383 ( -14.060 -0.577 -8.192) 16.283 18.487 ( 2.107 -4.722 3.837) 6.439 18.916 ( -0.586 4.930 -1.528) 5.194 19.150 ( -1.247 -4.179 5.207) 6.792 19.805 ( 8.874 10.180 2.399) 13.716 20.345 ( 14.358 -11.360 3.186) 18.583 21.290 ( -9.376 3.376 -1.856) 10.137 21.392 ( -3.442 -4.271 -2.424) 5.997 21.560 ( -1.198 1.114 1.702) 2.361 21.862 ( -8.720 -0.150 -3.476) 9.388 22.373 ( 1.858 3.289 -2.504) 4.532 ======================= Grid point 159 (85/97) ======================= q-point: (-0.50 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -2.884 2.433 4.678) 6.010 2.534 ( -5.414 5.745 6.176) 10.023 2.843 ( 0.973 -5.069 7.880) 9.420 3.137 ( 4.218 -2.189 1.003) 4.857 3.187 ( 1.340 -1.431 8.505) 8.728 3.315 ( 2.367 1.353 3.129) 4.150 3.348 ( -1.734 4.349 1.025) 4.792 3.420 ( -6.733 2.762 -0.067) 7.278 3.637 ( 4.740 0.780 0.370) 4.818 3.723 ( -0.717 0.128 5.330) 5.379 3.761 ( -2.572 -3.328 -1.835) 4.589 3.878 ( 0.322 3.917 -6.647) 7.722 3.908 ( -0.729 -3.263 -3.048) 4.525 4.029 ( -3.780 1.508 -4.341) 5.951 4.133 ( 2.847 -2.592 0.832) 3.939 4.210 ( -4.800 -3.917 -3.561) 7.146 4.502 ( 0.621 -1.543 -1.603) 2.310 4.633 ( 0.628 9.179 0.293) 9.205 4.780 ( 0.941 -1.148 -2.322) 2.756 4.937 ( 3.845 0.030 -0.795) 3.927 5.076 ( 2.740 1.325 -2.103) 3.699 5.114 ( -4.400 0.155 0.259) 4.411 5.238 ( 1.906 2.708 2.927) 4.419 5.282 ( 0.498 -5.395 4.948) 7.338 5.499 ( -3.311 -1.729 -3.073) 4.837 5.636 ( 5.792 -0.136 0.795) 5.848 5.733 ( -3.420 0.560 -0.411) 3.490 5.814 ( 1.068 1.858 -2.092) 2.995 5.829 ( -0.826 0.560 -0.505) 1.119 6.033 ( 1.245 -2.770 1.907) 3.586 6.129 ( 2.714 0.590 -7.970) 8.440 6.203 ( -3.237 -1.073 1.983) 3.945 6.445 ( -6.511 -2.323 -0.889) 6.970 6.625 ( -2.238 -2.597 -0.488) 3.462 6.759 ( -2.252 -4.687 -0.832) 5.266 6.803 ( -4.178 0.743 -3.673) 5.612 6.855 ( -8.568 -3.369 4.472) 10.236 6.989 ( -0.182 -0.503 -1.461) 1.556 7.007 ( 3.357 -0.293 -6.249) 7.099 7.128 ( 10.472 0.665 2.584) 10.806 7.280 ( 4.085 -0.304 3.217) 5.208 7.479 ( 0.618 3.708 1.681) 4.118 7.717 ( -3.060 3.908 -2.716) 5.658 7.769 ( -6.071 -2.603 -4.261) 7.860 7.911 ( 0.495 -0.995 -0.004) 1.112 7.948 ( 1.306 -0.560 0.535) 1.518 8.048 ( -1.791 -0.557 1.111) 2.180 8.137 ( 5.288 -1.136 1.518) 5.618 8.325 ( -1.076 -0.341 -2.153) 2.431 8.363 ( -0.065 -2.668 -3.825) 4.664 8.653 ( -1.612 -1.412 4.819) 5.274 8.769 ( -5.880 -4.035 -10.679) 12.841 8.918 ( 5.206 3.528 -6.783) 9.250 8.948 ( 2.643 4.939 0.717) 5.647 9.059 ( 5.068 7.559 8.014) 12.126 9.142 ( -4.254 -0.368 0.288) 4.280 9.289 ( 2.778 1.155 0.150) 3.013 9.481 ( 1.355 -4.524 1.443) 4.938 9.783 ( -2.221 1.479 -1.487) 3.055 9.850 ( 0.851 0.562 -1.101) 1.501 10.093 ( 0.245 1.766 2.593) 3.147 10.230 ( -1.213 2.740 4.966) 5.800 10.320 ( 0.886 0.906 0.552) 1.382 10.456 ( 0.870 0.998 1.478) 1.984 10.702 ( -0.031 -11.116 5.308) 12.319 10.787 ( 1.319 1.350 2.140) 2.853 10.845 ( -4.667 -1.702 0.215) 4.973 10.959 ( 6.280 1.722 2.140) 6.854 11.183 ( 0.044 2.043 -2.746) 3.423 11.364 ( 2.661 -3.011 -4.624) 6.126 11.616 ( 4.910 13.298 -2.444) 14.384 12.049 ( -3.101 -0.567 0.924) 3.285 12.204 ( -0.767 -0.592 1.229) 1.565 12.294 ( 3.165 1.151 -2.788) 4.372 12.607 ( 3.006 -7.507 0.676) 8.115 12.750 ( -0.546 0.565 2.834) 2.941 12.903 ( -2.782 1.455 -1.429) 3.449 12.991 ( -2.465 2.112 -1.983) 3.804 13.043 ( -3.315 -0.415 1.337) 3.598 13.458 ( -0.524 0.858 -0.404) 1.084 14.208 ( 9.605 0.603 -7.201) 12.020 14.541 ( -2.485 0.530 -1.123) 2.778 15.106 ( -1.243 -2.885 1.060) 3.316 16.221 ( 6.590 8.781 2.610) 11.285 17.099 ( -12.527 1.646 -5.152) 13.644 17.383 ( 7.566 -3.064 4.191) 9.176 18.638 ( 3.547 -7.276 4.664) 9.342 18.806 ( -1.002 8.782 -0.285) 8.844 19.187 ( -2.925 -4.717 -0.739) 5.600 19.796 ( 8.808 12.310 1.273) 15.190 20.566 ( -5.244 3.104 0.117) 6.094 21.125 ( -4.932 -6.884 6.525) 10.691 21.400 ( -1.408 -4.192 -4.219) 6.112 21.561 ( 1.183 -2.639 -6.782) 7.373 21.799 ( -1.614 -2.920 2.995) 4.483 22.360 ( 4.218 3.879 -1.837) 6.017 ======================= Grid point 160 (86/97) ======================= q-point: (-0.33 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -2.154 2.212 5.062) 5.930 2.367 ( -8.374 8.536 7.139) 13.927 2.876 ( -1.120 8.597 4.168) 9.620 3.040 ( -9.558 14.100 8.067) 18.848 3.243 ( -0.754 2.068 3.410) 4.058 3.286 ( 0.790 -2.031 -2.534) 3.342 3.294 ( -0.849 -2.610 3.259) 4.261 3.495 ( 9.568 -1.602 0.505) 9.715 3.580 ( -6.095 0.555 -2.745) 6.707 3.693 ( -2.402 1.034 -4.095) 4.859 3.789 ( 3.380 5.671 0.065) 6.602 3.830 ( -0.540 -4.811 1.832) 5.176 3.919 ( 0.942 -4.012 -5.103) 6.559 4.009 ( 1.578 -1.904 2.441) 3.475 4.168 ( -3.033 -2.098 -5.004) 6.216 4.183 ( -4.667 -5.490 -1.605) 7.382 4.456 ( -5.122 0.196 4.900) 7.091 4.580 ( 4.657 4.520 -0.830) 6.543 4.791 ( 0.464 -0.484 -1.917) 2.030 4.988 ( 0.532 -2.081 -0.879) 2.320 5.080 ( 0.407 -0.496 0.603) 0.881 5.196 ( -2.604 -2.467 1.067) 3.743 5.280 ( 9.654 -3.150 4.256) 11.011 5.432 ( 2.455 -6.042 4.631) 7.998 5.509 ( 2.952 -4.830 -1.196) 5.786 5.673 ( 1.197 0.235 -4.614) 4.772 5.739 ( 3.589 7.456 -0.004) 8.275 5.796 ( 6.939 -2.784 0.479) 7.492 5.908 ( -2.290 -9.544 2.034) 10.023 6.062 ( -1.000 -0.208 -3.558) 3.701 6.085 ( -4.310 -0.264 -1.788) 4.674 6.205 ( 1.740 -0.826 -0.051) 1.927 6.414 ( -2.084 -5.170 -4.066) 6.900 6.585 ( -3.320 -0.824 -1.795) 3.863 6.625 ( -9.508 -2.396 -0.121) 9.806 6.762 ( -2.380 2.998 0.053) 3.828 6.840 ( -3.675 -4.306 -1.033) 5.754 7.050 ( 3.465 -4.245 -3.440) 6.470 7.080 ( 6.256 -2.489 -1.061) 6.816 7.258 ( 8.616 5.469 1.489) 10.313 7.359 ( 1.183 -1.107 1.790) 2.414 7.446 ( -0.870 3.154 2.800) 4.306 7.619 ( -1.960 0.405 1.105) 2.286 7.705 ( -2.241 -0.974 -2.723) 3.658 7.918 ( -1.830 -3.581 -1.160) 4.186 8.001 ( -3.741 2.592 -1.098) 4.682 8.017 ( 3.045 -0.592 7.261) 7.896 8.218 ( 1.821 1.157 0.919) 2.345 8.341 ( 0.940 -3.447 -1.463) 3.860 8.409 ( 5.541 -2.296 -3.055) 6.731 8.660 ( -7.691 -6.640 -10.461) 14.583 8.679 ( -2.386 0.084 6.695) 7.108 8.829 ( -0.200 8.682 -2.069) 8.928 8.954 ( 2.923 1.522 -6.309) 7.118 9.064 ( -2.698 2.238 0.859) 3.609 9.108 ( 5.877 4.866 5.753) 9.556 9.266 ( -0.867 3.410 -2.685) 4.426 9.560 ( 0.797 -2.661 2.202) 3.545 9.711 ( -2.171 1.479 -4.311) 5.048 9.822 ( -0.995 2.231 -2.535) 3.521 10.049 ( -0.826 4.738 4.095) 6.316 10.185 ( -3.106 3.228 5.405) 7.020 10.323 ( 1.711 1.546 -0.979) 2.505 10.434 ( -0.780 3.008 1.060) 3.283 10.764 ( -0.826 3.197 -0.219) 3.309 10.787 ( -3.812 -1.254 0.361) 4.029 10.852 ( -0.103 -7.959 1.529) 8.105 11.046 ( 8.446 6.109 1.657) 10.555 11.190 ( 2.389 -1.413 -1.468) 3.140 11.426 ( 3.529 -2.179 -4.972) 6.475 11.512 ( 2.572 8.392 -3.479) 9.441 12.038 ( -2.746 -1.306 2.614) 4.010 12.120 ( -4.786 5.312 -0.708) 7.185 12.322 ( 3.027 -0.210 -2.206) 3.752 12.652 ( 0.855 6.801 -0.309) 6.862 12.751 ( -3.270 -2.151 0.615) 3.962 12.848 ( -1.545 0.341 0.360) 1.623 12.902 ( -3.739 -5.696 2.215) 7.164 13.072 ( 1.747 0.289 -1.013) 2.039 13.451 ( 0.210 0.044 -1.095) 1.116 14.324 ( 9.695 -0.604 -4.375) 10.653 14.486 ( -4.804 -0.951 0.122) 4.899 15.151 ( 0.394 -3.140 2.142) 3.822 16.164 ( 2.450 12.262 2.019) 12.666 16.885 ( -9.565 1.215 -2.571) 9.979 17.565 ( 5.621 -5.067 6.808) 10.179 18.656 ( -0.098 9.756 2.109) 9.982 18.825 ( 3.389 -6.614 2.198) 7.750 19.167 ( -3.527 -1.455 -4.749) 6.092 19.781 ( 8.169 10.505 -0.432) 13.314 20.215 ( -17.182 12.785 -0.514) 21.423 21.280 ( 1.329 -6.213 6.296) 8.945 21.386 ( -1.970 -0.772 -3.497) 4.088 21.593 ( 0.092 -4.984 -4.211) 6.526 21.948 ( 5.724 -12.391 1.998) 13.794 22.372 ( 3.442 2.668 -1.217) 4.522 ======================= Grid point 161 (87/97) ======================= q-point: (-0.17 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.009 0.936 3.936) 4.046 2.199 ( -0.606 7.411 5.387) 9.182 2.589 ( -3.165 27.228 10.473) 29.344 2.872 ( -1.959 5.188 1.472) 5.737 3.225 ( -2.368 -0.383 5.035) 5.577 3.272 ( -2.591 -0.878 1.043) 2.928 3.365 ( -1.890 -4.080 0.553) 4.531 3.529 ( 1.361 -0.555 -2.527) 2.924 3.541 ( 0.837 5.098 -9.091) 10.456 3.648 ( -1.406 -2.166 3.468) 4.324 3.807 ( 2.157 0.305 -1.452) 2.618 3.905 ( 1.608 -4.099 0.879) 4.490 4.003 ( 1.461 -4.908 -0.682) 5.166 4.066 ( 0.754 -1.238 2.517) 2.905 4.129 ( -1.453 -2.572 0.100) 2.956 4.170 ( -3.083 -5.479 -2.456) 6.750 4.472 ( -1.076 -2.919 5.841) 6.618 4.534 ( -0.925 6.402 -0.038) 6.469 4.779 ( -0.468 0.880 -1.133) 1.509 5.031 ( 1.184 -2.447 1.279) 3.005 5.104 ( 0.711 1.538 0.501) 1.767 5.200 ( 0.933 -3.129 0.835) 3.370 5.459 ( 1.217 -4.012 3.025) 5.169 5.523 ( -2.344 -3.373 -0.762) 4.178 5.587 ( 1.662 -6.480 -2.695) 7.212 5.667 ( 4.914 2.981 -3.058) 6.510 5.794 ( 4.087 -2.042 2.068) 5.015 5.885 ( 1.049 1.024 -4.128) 4.381 5.981 ( -4.462 -3.174 -2.261) 5.924 6.009 ( -1.556 -4.762 0.590) 5.045 6.079 ( -0.596 -9.935 0.029) 9.953 6.233 ( 0.276 -0.170 -1.199) 1.242 6.443 ( -1.162 -5.024 1.732) 5.440 6.554 ( 1.267 -0.128 -2.634) 2.926 6.667 ( 3.943 -5.896 3.782) 8.038 6.707 ( 1.064 2.052 0.188) 2.319 6.802 ( -5.341 -2.884 -5.829) 8.416 7.110 ( -0.355 -3.198 -2.939) 4.358 7.189 ( 4.246 3.381 -0.044) 5.428 7.229 ( 0.257 10.323 -0.888) 10.364 7.275 ( -3.351 0.804 0.435) 3.473 7.496 ( -0.228 -4.737 -0.196) 4.747 7.642 ( 0.727 1.257 5.358) 5.551 7.710 ( 4.576 2.924 1.402) 5.609 7.837 ( -3.880 2.759 -3.876) 6.140 7.984 ( -0.270 -5.647 1.048) 5.750 8.123 ( 3.884 -2.257 3.300) 5.574 8.211 ( 1.345 1.582 -0.890) 2.259 8.391 ( 0.207 -4.011 -1.641) 4.338 8.500 ( 3.271 0.840 -1.139) 3.564 8.562 ( -4.964 0.288 -3.378) 6.011 8.685 ( -1.581 -2.029 -0.330) 2.594 8.747 ( -0.844 1.132 3.218) 3.514 8.924 ( 1.655 2.029 -6.803) 7.290 8.990 ( -0.997 4.361 -0.258) 4.481 9.174 ( -0.819 3.468 -1.996) 4.084 9.175 ( 3.242 3.146 3.590) 5.770 9.577 ( -2.216 -0.601 1.500) 2.742 9.659 ( 1.596 1.979 -5.950) 6.470 9.754 ( -0.873 3.260 -0.929) 3.500 10.019 ( 0.935 3.275 3.318) 4.755 10.125 ( -3.059 2.861 6.503) 7.735 10.320 ( 2.575 2.280 -3.509) 4.914 10.388 ( -0.723 2.558 1.009) 2.843 10.700 ( -1.724 2.559 0.409) 3.112 10.786 ( -2.498 -3.014 1.082) 4.062 10.881 ( 3.179 4.388 -4.938) 7.331 11.068 ( 2.252 6.311 0.591) 6.727 11.233 ( -0.682 -5.796 0.552) 5.862 11.446 ( 0.610 1.081 -3.017) 3.263 11.466 ( 2.207 0.119 -6.017) 6.411 11.906 ( -0.637 10.971 2.099) 11.188 12.118 ( -0.465 -5.938 0.808) 6.011 12.352 ( 0.886 -0.966 -2.275) 2.626 12.540 ( -0.297 8.578 -0.633) 8.606 12.740 ( -1.452 -1.244 1.608) 2.499 12.843 ( -1.328 -0.544 2.660) 3.022 12.943 ( 0.027 -0.721 -0.181) 0.744 13.104 ( 2.041 -2.988 -0.544) 3.660 13.443 ( 0.642 0.352 -2.853) 2.946 14.413 ( -3.750 -0.559 -0.913) 3.900 14.464 ( 3.622 -3.780 0.280) 5.242 15.207 ( 0.085 -2.715 2.142) 3.460 16.029 ( -0.405 10.979 1.927) 11.154 16.783 ( -1.419 0.408 0.087) 1.479 17.740 ( 1.570 -6.639 7.794) 10.358 18.562 ( 1.063 7.991 2.574) 8.462 18.944 ( 2.254 -3.898 0.016) 4.502 19.064 ( -4.171 2.411 -8.023) 9.358 19.699 ( -3.015 9.865 -0.224) 10.317 19.939 ( 1.289 7.563 2.850) 8.184 21.343 ( -1.390 -1.354 -0.484) 2.000 21.364 ( 1.401 -0.044 0.499) 1.488 21.631 ( -0.376 -2.824 -0.530) 2.897 22.208 ( 1.888 -14.649 -0.137) 14.771 22.368 ( 0.381 1.601 -1.427) 2.178 ======================= Grid point 164 (88/97) ======================= q-point: ( 0.33 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.839 ( -2.461 -0.000 5.280) 5.825 2.618 ( 8.406 0.000 4.693) 9.627 2.780 ( -4.962 -0.000 6.421) 8.115 3.079 ( 1.300 0.000 7.500) 7.611 3.092 ( 4.911 0.000 1.650) 5.180 3.356 ( 0.276 0.000 7.005) 7.010 3.449 ( -3.286 -0.000 6.113) 6.941 3.458 ( -4.864 -0.000 -1.860) 5.208 3.673 ( -1.942 -0.000 6.530) 6.813 3.675 ( 6.069 0.000 -5.303) 8.060 3.770 ( -0.063 -0.000 -0.149) 0.162 3.770 ( 2.161 0.000 -1.905) 2.880 3.993 ( -2.059 -0.000 -2.714) 3.407 4.009 ( -0.474 -0.000 1.374) 1.454 4.073 ( -1.529 -0.000 -6.919) 7.086 4.192 ( 0.357 0.000 -7.978) 7.986 4.467 ( -2.721 -0.000 -2.061) 3.414 4.750 ( -0.914 -0.000 -3.374) 3.495 4.765 ( 11.151 0.000 -1.869) 11.306 4.958 ( -5.300 -0.000 -5.991) 7.999 5.140 ( 4.708 0.000 2.773) 5.464 5.140 ( -0.664 -0.000 -5.523) 5.563 5.201 ( -6.527 -0.000 3.154) 7.249 5.346 ( -5.771 -0.000 7.030) 9.096 5.386 ( 0.191 0.000 -0.541) 0.574 5.681 ( -5.332 -0.000 -0.293) 5.340 5.705 ( 0.471 0.000 2.722) 2.763 5.838 ( -5.936 -0.000 -0.755) 5.984 5.895 ( 3.179 0.000 1.506) 3.518 5.945 ( 3.826 0.000 -5.042) 6.329 6.154 ( 1.982 0.000 -4.261) 4.700 6.247 ( 4.333 0.000 0.274) 4.341 6.361 ( -10.560 -0.000 1.791) 10.710 6.612 ( -5.814 -0.000 -4.152) 7.145 6.630 ( -1.545 -0.000 2.836) 3.230 6.783 ( -4.737 -0.000 -0.739) 4.794 6.818 ( -3.177 -0.000 1.911) 3.707 6.992 ( -3.712 -0.000 -5.023) 6.246 7.013 ( -1.035 -0.000 -6.132) 6.219 7.132 ( 10.122 0.000 6.954) 12.280 7.275 ( 2.242 0.000 0.693) 2.346 7.538 ( 4.686 0.000 0.301) 4.696 7.707 ( -7.191 -0.000 -0.470) 7.207 7.822 ( -1.674 -0.000 -4.446) 4.750 7.881 ( 0.999 0.000 -2.782) 2.956 7.925 ( 1.421 0.000 -1.526) 2.085 8.043 ( -4.420 -0.000 -0.383) 4.437 8.125 ( 7.697 0.000 1.340) 7.813 8.276 ( -4.281 -0.000 -5.934) 7.316 8.351 ( -0.607 -0.000 -1.760) 1.862 8.638 ( -1.795 -0.000 5.842) 6.111 8.726 ( -2.449 -0.000 -10.805) 11.079 8.915 ( 6.067 0.000 -4.479) 7.541 9.054 ( -3.649 -0.000 -0.389) 3.669 9.111 ( 0.919 0.000 3.489) 3.608 9.272 ( 8.414 0.000 7.529) 11.290 9.278 ( 3.040 0.000 0.124) 3.043 9.363 ( -2.705 -0.000 -0.288) 2.720 9.812 ( -2.263 -0.000 -2.344) 3.258 9.861 ( 1.582 0.000 1.701) 2.323 10.107 ( 5.440 0.000 1.288) 5.590 10.294 ( 1.435 0.000 5.702) 5.879 10.337 ( 0.520 0.000 2.425) 2.480 10.467 ( 2.510 0.000 0.967) 2.689 10.510 ( -0.676 -0.000 8.761) 8.787 10.815 ( 4.458 0.000 3.120) 5.441 10.823 ( -3.495 -0.000 0.762) 3.577 10.974 ( 4.275 0.000 2.672) 5.041 11.266 ( 5.279 0.000 -3.445) 6.303 11.268 ( -3.150 -0.000 -3.921) 5.029 11.878 ( -1.014 -0.000 0.584) 1.170 12.031 ( 1.390 0.000 -0.098) 1.393 12.167 ( -0.238 -0.000 1.273) 1.295 12.332 ( 2.699 0.000 -2.452) 3.647 12.435 ( 7.355 0.000 -1.068) 7.432 12.750 ( -4.955 -0.000 5.367) 7.305 12.917 ( -1.862 -0.000 -2.464) 3.089 13.030 ( 7.275 0.000 -1.408) 7.410 13.050 ( -10.444 -0.000 -1.517) 10.553 13.476 ( -2.417 -0.000 -0.111) 2.420 14.215 ( 9.457 0.000 -8.324) 12.599 14.554 ( -2.382 -0.000 -2.269) 3.289 15.059 ( -1.494 -0.000 0.263) 1.517 16.366 ( 10.489 0.000 3.534) 11.068 17.122 ( -12.875 -0.000 -7.653) 14.978 17.329 ( 7.494 0.000 2.057) 7.771 18.520 ( 3.229 0.000 5.009) 5.959 18.992 ( 4.810 0.000 1.113) 4.937 19.070 ( -6.226 -0.000 1.690) 6.451 20.051 ( 9.078 0.000 2.449) 9.402 20.499 ( 14.159 0.000 5.464) 15.177 21.059 ( -22.882 -0.000 3.233) 23.109 21.297 ( -0.717 -0.000 -7.542) 7.576 21.539 ( -0.803 -0.000 -6.825) 6.872 21.769 ( -3.188 -0.000 2.489) 4.044 22.426 ( 3.760 0.000 -2.069) 4.292 ======================= Grid point 165 (89/97) ======================= q-point: (-0.50 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -2.070 2.119 5.057) 5.861 2.641 ( 1.227 11.479 5.246) 12.680 2.864 ( 4.050 -4.663 7.705) 9.875 3.146 ( 1.414 -3.119 0.932) 3.549 3.208 ( 1.719 -4.083 5.289) 6.899 3.288 ( -7.347 2.500 2.255) 8.082 3.343 ( -6.145 1.334 1.243) 6.410 3.458 ( 1.852 -2.158 1.734) 3.331 3.656 ( -5.747 3.510 7.771) 10.283 3.679 ( -2.242 1.379 -3.623) 4.478 3.758 ( 3.344 -0.630 0.511) 3.441 3.842 ( 1.748 -3.313 0.262) 3.755 3.948 ( -2.543 -0.243 2.113) 3.315 3.986 ( 1.149 1.754 -4.837) 5.272 4.065 ( 0.146 -0.488 -4.440) 4.469 4.160 ( 2.204 2.114 -11.047) 11.461 4.448 ( -0.562 -2.808 -1.523) 3.244 4.667 ( -5.092 2.891 -2.396) 6.327 4.774 ( -1.446 1.026 -4.144) 4.508 4.906 ( -2.172 -3.784 -4.164) 6.032 5.082 ( -0.748 1.584 -3.532) 3.942 5.170 ( 1.847 3.225 4.398) 5.758 5.273 ( -1.844 -1.967 2.131) 3.437 5.302 ( 2.750 -3.442 8.956) 9.982 5.461 ( 7.968 0.032 4.620) 9.210 5.652 ( -0.512 -4.288 -0.451) 4.342 5.696 ( -1.749 1.029 -2.952) 3.582 5.795 ( 0.925 -1.220 0.219) 1.546 5.946 ( 5.818 4.669 -2.533) 7.878 6.032 ( 2.975 -0.112 0.052) 2.978 6.134 ( -1.057 0.333 1.133) 1.585 6.208 ( -0.397 3.202 -1.442) 3.534 6.320 ( -3.174 -2.059 -3.189) 4.949 6.471 ( -12.140 -8.082 -2.550) 14.806 6.594 ( -3.780 2.209 0.911) 4.472 6.731 ( -2.983 -2.806 -0.119) 4.097 6.790 ( -1.842 -1.771 -1.674) 3.055 6.956 ( -1.006 -1.146 -8.637) 8.771 7.039 ( 7.726 -0.976 3.434) 8.510 7.278 ( 2.727 0.012 5.469) 6.111 7.315 ( 1.790 -2.683 0.454) 3.258 7.564 ( 1.175 3.848 -0.611) 4.070 7.620 ( -2.568 -0.983 -2.823) 3.941 7.741 ( -1.388 2.958 -2.997) 4.433 7.855 ( -3.203 -1.193 -5.232) 6.249 7.978 ( 1.950 -1.706 5.930) 6.472 8.009 ( -1.773 -0.994 3.042) 3.659 8.214 ( -3.112 -4.317 -4.496) 6.967 8.268 ( 7.756 1.561 0.693) 7.942 8.340 ( 1.626 -2.357 -5.117) 5.864 8.619 ( -2.130 1.894 -1.117) 3.062 8.659 ( -2.478 -0.502 -1.052) 2.738 8.951 ( -6.815 0.274 -0.960) 6.888 8.993 ( 5.955 1.609 -3.671) 7.178 9.120 ( -0.186 1.480 1.981) 2.479 9.236 ( 0.805 4.323 0.759) 4.463 9.342 ( 1.369 1.718 -1.528) 2.676 9.456 ( 3.305 -4.142 5.696) 7.780 9.749 ( -2.491 0.822 -4.389) 5.113 9.880 ( 1.237 1.856 0.432) 2.272 10.152 ( 0.958 2.579 2.536) 3.742 10.287 ( -2.604 4.072 7.738) 9.124 10.354 ( 2.381 0.814 -0.840) 2.653 10.500 ( 1.486 0.870 0.431) 1.776 10.611 ( 1.118 -6.314 7.137) 9.595 10.796 ( -0.502 0.136 -1.055) 1.176 10.833 ( -0.599 1.513 0.112) 1.631 11.124 ( 10.533 0.676 6.067) 12.174 11.201 ( -0.358 1.011 -3.551) 3.710 11.362 ( 5.727 -2.001 -4.290) 7.430 11.769 ( -3.269 7.665 -1.702) 8.504 12.022 ( -0.549 1.395 -0.319) 1.533 12.194 ( 0.004 -0.264 0.869) 0.909 12.356 ( 4.253 2.104 -1.571) 4.998 12.575 ( 3.332 -5.604 1.822) 6.770 12.712 ( -6.019 -4.355 3.973) 8.425 12.860 ( -3.314 0.804 -1.964) 3.935 12.874 ( -6.764 2.876 -2.024) 7.624 13.104 ( 3.935 1.126 -1.713) 4.437 13.448 ( -1.033 -0.056 0.078) 1.037 14.307 ( 6.353 -0.611 -4.851) 8.017 14.496 ( -2.364 0.939 -3.222) 4.105 15.073 ( 0.684 -2.061 1.020) 2.399 16.462 ( 6.609 8.124 2.306) 10.724 16.918 ( -9.183 0.948 -4.184) 10.136 17.436 ( 3.494 -3.421 0.548) 4.920 18.633 ( 3.756 -5.338 3.701) 7.503 18.917 ( -2.929 7.753 1.368) 8.400 19.125 ( 3.391 -2.325 2.240) 4.683 20.092 ( 7.033 10.517 -1.210) 12.710 20.543 ( -10.767 13.425 3.058) 17.479 20.961 ( -0.400 -17.560 9.368) 19.907 21.280 ( -1.112 -5.825 -7.865) 9.850 21.483 ( -1.726 -1.037 -7.820) 8.075 21.776 ( 0.555 -1.943 2.322) 3.078 22.456 ( 3.225 2.468 -1.292) 4.262 ======================= Grid point 166 (90/97) ======================= q-point: (-0.33 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 0.243 2.823 4.119) 5.000 2.494 ( 0.875 14.719 2.699) 14.990 2.961 ( -0.326 0.979 4.761) 4.872 3.118 ( -2.277 6.130 4.536) 7.959 3.224 ( -2.609 -5.734 2.359) 6.727 3.257 ( -3.542 0.105 2.123) 4.131 3.323 ( -1.382 6.007 10.094) 11.827 3.501 ( -5.516 2.094 3.355) 6.787 3.544 ( -1.840 -7.187 0.334) 7.427 3.674 ( 6.088 3.201 -5.131) 8.581 3.765 ( -2.700 -0.969 0.481) 2.909 3.898 ( 3.491 -0.293 -4.422) 5.641 3.952 ( 3.654 4.425 -0.808) 5.795 3.990 ( -0.257 -4.468 0.950) 4.575 4.036 ( 0.290 -1.626 -4.189) 4.503 4.089 ( -2.014 -0.074 -5.516) 5.873 4.417 ( -3.118 0.243 3.144) 4.435 4.660 ( 0.974 1.038 1.276) 1.912 4.746 ( -2.526 -4.796 -1.851) 5.728 4.919 ( -1.089 -5.844 -0.843) 6.004 5.067 ( 0.852 -1.847 -3.146) 3.746 5.155 ( 1.070 2.500 1.594) 3.152 5.298 ( -2.287 -5.417 3.969) 7.095 5.433 ( 4.640 -2.208 -0.475) 5.161 5.607 ( 2.080 2.289 3.130) 4.400 5.689 ( 4.801 -1.336 3.270) 5.961 5.744 ( 0.898 -8.339 0.324) 8.393 5.840 ( 0.169 -0.545 -2.170) 2.244 5.927 ( 3.063 8.453 -0.694) 9.017 5.967 ( -7.314 -0.187 -10.400) 12.716 5.985 ( -5.479 0.127 3.667) 6.594 6.266 ( 3.476 1.462 -0.381) 3.790 6.332 ( 1.072 -2.950 -1.630) 3.537 6.458 ( -1.071 -8.231 -0.224) 8.303 6.568 ( 2.150 -1.159 2.921) 3.808 6.735 ( -0.898 -2.437 -4.598) 5.280 6.761 ( -1.067 1.446 1.068) 2.090 6.968 ( 0.805 -6.578 -7.196) 9.782 7.207 ( 9.483 -0.208 1.659) 9.629 7.272 ( -6.320 0.428 -1.588) 6.531 7.333 ( 0.251 -3.954 0.115) 3.964 7.523 ( 0.867 7.547 -0.535) 7.615 7.646 ( 1.928 0.390 1.904) 2.738 7.704 ( 0.266 -3.798 1.237) 4.003 7.812 ( -2.494 -3.478 -4.774) 6.412 7.982 ( -2.663 2.673 2.747) 4.667 8.077 ( 2.122 -1.491 8.530) 8.915 8.243 ( -0.569 -6.058 -3.112) 6.834 8.296 ( 2.107 -2.160 -1.844) 3.536 8.375 ( -1.884 -0.893 -7.502) 7.786 8.542 ( -0.703 2.316 -1.803) 3.018 8.656 ( -3.492 -2.052 6.965) 8.057 8.841 ( -2.532 2.312 0.150) 3.432 9.005 ( 3.482 4.066 -6.719) 8.591 9.094 ( -0.644 2.911 1.337) 3.268 9.243 ( 2.286 0.990 0.515) 2.544 9.295 ( -0.329 4.580 -1.880) 4.962 9.554 ( 1.817 -0.894 5.446) 5.810 9.688 ( -0.306 0.239 -6.973) 6.984 9.849 ( 0.025 3.962 -0.457) 3.988 10.123 ( 0.319 4.160 2.099) 4.670 10.228 ( -2.696 4.709 6.855) 8.743 10.373 ( 3.251 1.482 -3.052) 4.699 10.483 ( 0.537 3.991 0.439) 4.051 10.716 ( -1.111 -2.726 5.604) 6.330 10.789 ( -0.894 2.659 0.531) 2.855 10.819 ( 2.697 -4.526 -3.765) 6.476 11.194 ( 1.821 -0.049 -3.260) 3.735 11.233 ( 3.234 4.995 1.069) 6.046 11.417 ( 1.689 -1.886 -4.612) 5.261 11.616 ( -1.150 8.636 -2.243) 8.996 12.010 ( 0.036 -0.859 0.267) 0.900 12.149 ( -1.489 5.510 2.064) 6.069 12.352 ( 0.647 2.503 -2.038) 3.292 12.659 ( -2.784 -4.441 3.624) 6.372 12.737 ( 0.080 2.772 -0.650) 2.848 12.789 ( 0.908 -6.566 1.171) 6.732 12.833 ( -0.547 -0.476 -0.297) 0.783 13.103 ( 0.480 1.963 -1.711) 2.648 13.443 ( -0.271 -0.331 -0.138) 0.450 14.344 ( -5.335 -3.161 1.946) 6.499 14.456 ( 4.713 1.910 -5.697) 7.637 15.122 ( 0.137 -3.255 1.075) 3.430 16.375 ( -0.279 13.909 1.481) 13.991 16.802 ( -1.863 1.008 -0.618) 2.206 17.542 ( 0.902 -7.327 0.907) 7.438 18.783 ( 3.523 -6.197 0.623) 7.155 18.792 ( -1.647 6.762 1.687) 7.161 19.160 ( 0.949 4.014 0.115) 4.126 19.986 ( -3.925 11.060 -2.197) 11.940 20.237 ( 0.504 15.554 4.171) 16.111 21.211 ( 0.247 -9.417 5.408) 10.862 21.343 ( 0.659 -6.431 0.439) 6.480 21.457 ( -2.338 -7.644 -7.467) 10.939 21.862 ( 2.194 -7.637 -0.765) 7.983 22.441 ( 0.538 3.391 -1.145) 3.619 ======================= Grid point 167 (91/97) ======================= q-point: (-0.17 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 1.287 2.944 1.945) 3.756 2.416 ( 9.005 8.090 1.668) 12.220 2.874 ( -4.469 10.394 4.125) 12.043 3.011 ( 1.789 14.554 10.741) 18.177 3.184 ( -7.367 -0.620 4.213) 8.509 3.259 ( 1.009 1.864 7.959) 8.236 3.282 ( -1.773 -3.112 3.270) 4.850 3.473 ( -7.155 -3.406 0.686) 7.954 3.599 ( 1.978 -0.716 -0.784) 2.245 3.645 ( 5.954 5.630 -7.214) 10.917 3.774 ( -0.965 -1.307 -1.058) 1.939 3.894 ( 1.356 -0.653 -4.167) 4.430 3.977 ( 0.588 -2.191 -3.778) 4.406 4.038 ( 0.116 -3.467 -0.067) 3.469 4.077 ( 0.233 -3.840 1.850) 4.269 4.148 ( 6.782 -4.362 2.068) 8.325 4.439 ( -1.493 -3.140 5.964) 6.903 4.560 ( -5.702 4.705 0.523) 7.411 4.775 ( -0.089 -0.451 -0.020) 0.460 5.001 ( 0.879 -5.607 -0.337) 5.685 5.085 ( -0.349 -1.994 -1.886) 2.767 5.214 ( 4.058 -0.729 0.611) 4.168 5.341 ( -6.955 -8.843 0.526) 11.263 5.466 ( -0.530 1.297 -2.305) 2.697 5.584 ( 1.384 1.911 -1.364) 2.725 5.654 ( -8.468 -1.277 -5.707) 10.291 5.784 ( -6.276 -1.051 -3.230) 7.137 5.811 ( -0.867 -2.585 2.193) 3.499 5.894 ( 3.308 -4.131 3.306) 6.240 5.982 ( 3.158 -3.132 -3.155) 5.453 6.031 ( 2.808 -0.785 2.746) 4.005 6.213 ( -1.922 0.215 -1.510) 2.453 6.428 ( 5.964 -3.970 -2.514) 7.593 6.595 ( 5.990 -2.373 1.173) 6.549 6.643 ( 0.526 -2.886 -3.630) 4.667 6.754 ( 3.087 2.235 0.819) 3.898 6.777 ( 5.974 -1.721 3.179) 6.983 7.011 ( -2.816 -5.156 -2.835) 6.523 7.122 ( -6.906 -0.088 -2.789) 7.449 7.284 ( -6.758 8.537 -1.557) 10.999 7.394 ( 2.532 -2.793 -1.018) 3.905 7.446 ( 7.332 2.566 1.079) 7.842 7.667 ( 1.180 -1.949 0.756) 2.400 7.733 ( -5.728 -0.660 -6.442) 8.645 7.851 ( 4.614 -3.512 5.171) 7.769 7.944 ( -0.812 0.450 2.434) 2.605 8.154 ( 2.610 -2.267 1.232) 3.670 8.252 ( -2.367 3.807 -5.107) 6.795 8.312 ( 1.087 -6.055 -1.084) 6.246 8.399 ( -5.822 -5.820 -1.783) 8.423 8.515 ( 3.751 -3.752 2.228) 5.754 8.669 ( -3.688 -2.148 8.087) 9.145 8.795 ( 0.467 7.199 -1.612) 7.392 8.969 ( 3.911 2.744 -5.466) 7.260 9.049 ( 0.518 3.474 1.190) 3.708 9.203 ( -1.334 3.531 -1.175) 3.953 9.243 ( -0.035 4.214 -1.767) 4.570 9.587 ( -1.335 1.371 3.019) 3.574 9.674 ( 3.979 0.021 -4.842) 6.267 9.803 ( 1.184 3.470 -0.030) 3.667 10.090 ( 1.145 3.637 0.210) 3.819 10.172 ( -1.326 3.863 6.211) 7.433 10.367 ( 1.600 2.236 -4.660) 5.411 10.435 ( 0.216 4.340 1.046) 4.469 10.726 ( -0.692 2.591 3.678) 4.552 10.769 ( 1.174 0.144 1.396) 1.830 10.925 ( 4.508 -4.748 -5.333) 8.444 11.080 ( -9.478 8.947 -1.651) 13.138 11.209 ( 2.063 -1.851 -2.727) 3.888 11.426 ( -0.134 -0.953 -4.909) 5.003 11.488 ( -1.238 5.938 -1.861) 6.345 12.053 ( 0.712 -3.581 1.418) 3.917 12.094 ( 4.692 7.388 2.096) 9.000 12.319 ( -1.793 -0.575 -2.354) 3.014 12.634 ( -1.060 5.379 1.590) 5.708 12.718 ( 0.016 -0.369 2.882) 2.905 12.841 ( 0.490 -0.017 0.754) 0.899 12.923 ( 2.047 -4.273 0.576) 4.773 13.098 ( 2.501 -2.263 -2.731) 4.339 13.442 ( 0.217 -0.054 -0.697) 0.732 14.268 ( -9.076 -2.715 1.066) 9.533 14.511 ( 4.599 -0.734 -2.307) 5.198 15.168 ( -0.723 -3.561 0.656) 3.692 16.167 ( -3.538 12.327 1.801) 12.950 16.833 ( 6.079 0.350 1.931) 6.388 17.637 ( -3.437 -8.213 0.441) 8.914 18.681 ( -1.233 8.980 0.966) 9.115 18.890 ( 0.719 -5.410 -5.349) 7.642 19.094 ( 1.015 4.546 1.908) 5.034 19.739 ( -7.313 9.288 3.226) 12.254 20.207 ( 13.512 12.662 1.441) 18.573 21.319 ( 2.197 -3.979 2.016) 4.972 21.379 ( 0.661 0.130 -1.642) 1.775 21.528 ( -4.308 -9.983 0.773) 10.901 21.997 ( -1.920 -12.055 -2.819) 12.529 22.377 ( -2.287 2.671 -1.705) 3.908 ======================= Grid point 171 (92/97) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.837 ( 0.273 0.000 3.982) 3.992 2.834 ( 0.713 0.000 3.153) 3.233 2.881 ( 2.500 0.000 2.766) 3.728 3.122 ( -3.070 -0.000 3.526) 4.675 3.203 ( -5.865 -0.000 8.996) 10.739 3.250 ( 3.551 0.000 1.045) 3.701 3.271 ( -1.941 -0.000 1.277) 2.323 3.408 ( -1.081 -0.000 -4.920) 5.038 3.646 ( -3.737 -0.000 4.942) 6.196 3.666 ( -4.285 -0.000 7.787) 8.888 3.810 ( 1.138 0.000 -4.968) 5.097 3.855 ( 0.583 0.000 7.548) 7.570 3.912 ( 0.854 0.000 2.104) 2.271 3.966 ( -1.359 -0.000 -0.380) 1.411 4.036 ( -1.791 -0.000 -3.667) 4.081 4.220 ( 7.410 0.000 -19.488) 20.850 4.440 ( 0.338 0.000 2.388) 2.412 4.596 ( -2.840 -0.000 0.054) 2.840 4.679 ( -5.469 -0.000 -1.869) 5.780 4.840 ( -0.218 -0.000 -2.825) 2.833 5.077 ( 0.536 0.000 -3.051) 3.097 5.191 ( -4.864 -0.000 6.309) 7.966 5.250 ( 1.714 0.000 2.032) 2.659 5.386 ( 6.873 0.000 2.338) 7.260 5.636 ( 2.782 0.000 -1.094) 2.989 5.651 ( -1.275 -0.000 -5.292) 5.443 5.653 ( 4.217 0.000 9.733) 10.607 5.799 ( 2.108 0.000 0.178) 2.115 5.954 ( -0.963 -0.000 -7.723) 7.783 6.039 ( -11.469 -0.000 1.390) 11.552 6.155 ( -2.480 -0.000 -2.545) 3.553 6.234 ( 9.500 0.000 5.134) 10.799 6.283 ( 4.193 0.000 -3.766) 5.636 6.292 ( -3.225 -0.000 -1.292) 3.474 6.568 ( -2.546 -0.000 0.798) 2.669 6.716 ( 1.868 0.000 3.641) 4.092 6.749 ( 1.758 0.000 -3.484) 3.902 6.875 ( -1.386 -0.000 -9.948) 10.044 7.199 ( 9.178 0.000 2.366) 9.478 7.277 ( -0.297 -0.000 -1.916) 1.939 7.301 ( -2.890 -0.000 0.898) 3.027 7.588 ( 1.908 0.000 1.559) 2.464 7.590 ( -0.999 -0.000 -1.989) 2.226 7.740 ( -0.651 -0.000 -0.296) 0.715 7.751 ( -4.040 -0.000 -6.302) 7.485 8.011 ( -1.338 -0.000 4.737) 4.923 8.036 ( 2.549 0.000 7.891) 8.293 8.127 ( -1.131 -0.000 -1.774) 2.104 8.261 ( -2.535 -0.000 -9.050) 9.399 8.393 ( 3.101 0.000 -1.917) 3.645 8.618 ( -2.686 0.000 -0.136) 2.689 8.618 ( -2.983 0.000 5.779) 6.503 8.864 ( -2.355 -0.000 0.378) 2.386 9.067 ( 3.523 0.000 -4.438) 5.666 9.130 ( -1.160 -0.000 2.266) 2.546 9.232 ( 1.297 0.000 -2.872) 3.151 9.358 ( 0.153 0.000 -1.602) 1.609 9.547 ( 5.125 0.000 6.702) 8.437 9.687 ( -2.291 -0.000 -6.694) 7.076 9.913 ( 0.471 0.000 0.288) 0.552 10.187 ( -0.639 -0.000 2.286) 2.374 10.303 ( -3.385 -0.000 7.561) 8.284 10.415 ( 4.541 0.000 -2.301) 5.091 10.517 ( 1.759 0.000 -2.215) 2.829 10.644 ( 2.430 0.000 4.754) 5.339 10.781 ( -0.916 -0.000 -1.876) 2.087 10.830 ( -1.059 -0.000 0.791) 1.322 11.184 ( 1.724 0.000 -4.050) 4.402 11.292 ( 5.820 0.000 1.431) 5.994 11.394 ( 0.743 0.000 -3.604) 3.680 11.748 ( -0.983 -0.000 -1.241) 1.583 12.033 ( 0.281 0.000 -0.836) 0.882 12.191 ( -2.309 -0.000 1.670) 2.850 12.445 ( 1.157 0.000 -0.207) 1.176 12.572 ( -1.205 -0.000 2.386) 2.673 12.585 ( -0.364 -0.000 1.987) 2.020 12.820 ( -1.229 -0.000 -0.968) 1.565 12.846 ( -0.377 -0.000 -0.516) 0.639 13.134 ( 0.113 0.000 -1.424) 1.428 13.437 ( -0.330 -0.000 0.315) 0.456 14.302 ( -4.752 -0.000 1.726) 5.056 14.489 ( 3.845 0.000 -6.685) 7.712 15.074 ( 0.034 0.000 0.708) 0.709 16.589 ( 1.257 0.000 0.551) 1.373 16.819 ( -3.192 -0.000 -0.339) 3.210 17.435 ( 0.808 0.000 -1.699) 1.881 18.662 ( 3.005 0.000 0.821) 3.116 18.903 ( -3.050 -0.000 1.695) 3.489 19.219 ( 3.690 0.000 2.496) 4.455 20.158 ( -4.288 -0.000 -2.204) 4.821 20.634 ( -1.903 -0.000 10.095) 10.273 20.859 ( 4.521 0.000 4.100) 6.104 21.165 ( -2.273 -0.000 -7.538) 7.873 21.421 ( -1.296 -0.000 -4.725) 4.899 21.789 ( 2.201 0.000 -0.540) 2.266 22.493 ( 0.310 0.000 -1.056) 1.100 ======================= Grid point 172 (93/97) ======================= q-point: (-0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 2.661 2.162 1.410) 3.707 2.688 ( -2.652 11.156 0.357) 11.472 2.908 ( -6.782 -3.283 3.963) 8.513 3.111 ( -4.507 -3.282 3.618) 6.646 3.230 ( 1.920 1.566 8.843) 9.183 3.238 ( 1.021 1.909 -0.288) 2.184 3.389 ( 2.397 -4.554 2.072) 5.548 3.417 ( 0.677 -1.949 -2.637) 3.348 3.525 ( -4.610 6.467 10.772) 13.383 3.693 ( -3.569 -2.719 5.409) 7.028 3.779 ( 1.853 0.764 -0.434) 2.050 3.917 ( 1.606 -0.694 -1.654) 2.407 3.952 ( -1.211 -1.338 -2.537) 3.113 3.960 ( 1.772 -1.759 4.626) 5.257 4.017 ( 0.078 -0.995 -1.185) 1.549 4.146 ( 3.972 4.912 -13.589) 14.985 4.394 ( -4.259 -0.296 3.264) 5.374 4.617 ( -1.791 0.718 2.812) 3.411 4.700 ( 3.124 -4.059 3.276) 6.080 4.854 ( 0.525 -3.468 -0.935) 3.631 5.065 ( 1.694 1.443 -2.268) 3.178 5.190 ( -1.757 -1.929 2.452) 3.581 5.280 ( 3.306 1.898 0.002) 3.812 5.466 ( 2.278 -0.387 -2.889) 3.700 5.609 ( -8.850 -0.875 1.690) 9.052 5.634 ( -2.960 0.704 -5.000) 5.853 5.708 ( 4.669 -1.882 -2.688) 5.706 5.772 ( -5.579 -1.885 3.624) 6.915 5.836 ( 0.032 -1.349 -4.420) 4.621 6.071 ( 4.832 2.673 3.584) 6.583 6.104 ( 5.777 10.505 0.917) 12.023 6.200 ( -8.200 -2.461 -4.304) 9.582 6.345 ( 6.120 -2.024 -2.207) 6.813 6.429 ( 5.907 -8.466 1.477) 10.428 6.611 ( 4.670 -0.418 2.205) 5.181 6.749 ( 5.140 1.183 -3.204) 6.172 6.799 ( 2.745 0.651 4.070) 4.952 6.862 ( 1.633 -5.547 -7.564) 9.521 7.140 ( -6.819 1.174 -5.457) 8.813 7.291 ( -0.062 -3.248 -0.330) 3.265 7.395 ( 6.081 1.577 -2.272) 6.681 7.543 ( -0.932 2.485 0.246) 2.666 7.611 ( -2.119 -3.015 -1.187) 3.871 7.712 ( -0.627 1.298 -0.009) 1.441 7.755 ( 3.534 -2.489 2.977) 5.248 7.997 ( -2.304 1.285 4.162) 4.928 8.126 ( -2.074 -0.748 5.116) 5.571 8.157 ( -1.721 -4.193 -7.854) 9.068 8.180 ( 2.687 -4.640 3.761) 6.549 8.338 ( -6.106 0.550 -4.732) 7.745 8.556 ( -1.938 3.477 2.107) 4.504 8.602 ( -4.464 -1.904 7.143) 8.636 8.908 ( 5.920 1.221 2.921) 6.713 9.046 ( 0.911 2.353 -7.140) 7.573 9.114 ( -1.136 1.311 1.785) 2.489 9.265 ( 2.252 1.066 -2.283) 3.379 9.334 ( 0.293 2.193 -1.217) 2.525 9.590 ( -3.845 -0.897 -3.124) 5.034 9.672 ( 5.845 0.330 -0.216) 5.858 9.892 ( -0.321 2.688 -0.472) 2.748 10.162 ( -2.056 1.452 1.178) 2.779 10.276 ( -2.561 2.890 6.053) 7.180 10.430 ( 3.223 3.408 -5.123) 6.947 10.527 ( 0.302 1.034 -1.813) 2.109 10.711 ( 1.327 -3.698 0.940) 4.040 10.774 ( 1.338 -1.813 -2.086) 3.071 10.813 ( -0.573 1.296 1.734) 2.239 11.211 ( 3.559 0.480 -4.408) 5.685 11.224 ( -9.956 2.324 -2.963) 10.644 11.383 ( 0.970 -1.637 -7.137) 7.386 11.744 ( 4.118 9.228 0.687) 10.128 12.021 ( 0.813 1.346 0.073) 1.575 12.166 ( -2.290 -1.601 2.951) 4.064 12.355 ( -4.415 2.757 -0.970) 5.295 12.566 ( -6.033 -5.671 2.639) 8.690 12.752 ( 9.398 -4.101 0.596) 10.271 12.825 ( 2.243 0.239 1.635) 2.786 12.840 ( 2.677 2.352 0.382) 3.584 13.100 ( -2.598 0.766 -1.231) 2.975 13.442 ( 0.370 0.030 0.605) 0.710 14.215 ( -8.756 -1.129 2.977) 9.317 14.519 ( 4.354 0.664 -4.494) 6.292 15.079 ( -1.413 -2.398 0.475) 2.824 16.489 ( -5.597 9.736 -0.415) 11.238 16.834 ( 3.809 -0.592 3.444) 5.169 17.455 ( -1.290 -4.597 -1.622) 5.043 18.713 ( 0.111 -4.608 -4.045) 6.132 18.890 ( 2.499 4.320 4.352) 6.622 19.188 ( -4.306 2.075 -3.043) 5.666 20.015 ( -7.527 9.136 4.992) 12.847 20.581 ( 11.003 16.424 1.684) 19.840 21.077 ( -2.748 -20.109 2.955) 20.510 21.171 ( 1.133 -6.579 -1.506) 6.844 21.391 ( -0.124 0.405 -1.164) 1.238 21.832 ( 2.854 -2.005 -3.021) 4.614 22.454 ( -2.663 2.209 -1.128) 3.639 ======================= Grid point 173 (94/97) ======================= q-point: (-0.17 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 1.650 3.999 -0.998) 4.440 2.563 ( -3.100 2.370 3.170) 5.027 2.887 ( -3.177 -1.560 6.421) 7.332 3.071 ( -5.327 0.916 4.792) 7.223 3.195 ( -2.678 3.750 4.742) 6.612 3.279 ( -1.354 -2.313 4.280) 5.050 3.352 ( -4.661 5.300 4.139) 8.182 3.397 ( 5.662 3.308 -0.764) 6.602 3.610 ( 2.978 -4.413 6.917) 8.728 3.744 ( -1.679 -2.377 3.372) 4.454 3.794 ( 4.856 2.989 -4.204) 7.084 3.867 ( -1.994 0.236 -5.788) 6.126 3.921 ( -0.930 -1.854 -4.332) 4.803 4.010 ( 2.663 0.809 -1.321) 3.080 4.092 ( 2.068 -2.087 3.112) 4.279 4.190 ( 6.725 -5.649 -1.021) 8.842 4.387 ( -4.552 -2.682 6.828) 8.634 4.576 ( -0.548 4.791 5.120) 7.034 4.769 ( 0.777 -1.363 -0.401) 1.620 4.909 ( -3.240 -5.738 0.849) 6.644 5.070 ( 0.719 0.149 -2.408) 2.517 5.160 ( -2.362 0.467 -1.587) 2.884 5.280 ( 0.205 2.844 -0.843) 2.973 5.443 ( -2.699 -4.926 -8.101) 9.858 5.476 ( -2.513 3.627 -1.886) 4.799 5.635 ( 0.532 0.274 0.761) 0.968 5.738 ( 1.645 2.901 -0.815) 3.433 5.782 ( 0.412 -1.825 2.024) 2.756 5.883 ( 0.996 -4.857 -1.070) 5.073 5.977 ( -1.540 3.645 -4.052) 5.664 6.104 ( 1.038 2.122 -1.150) 2.627 6.218 ( 6.114 -1.130 1.510) 6.398 6.461 ( 5.634 -2.120 -1.879) 6.306 6.635 ( 4.318 -5.629 2.486) 7.517 6.670 ( 6.267 -0.288 -0.672) 6.310 6.846 ( 2.451 0.083 -2.577) 3.558 6.859 ( 3.932 -1.023 4.428) 6.009 6.912 ( 1.702 -2.877 -0.291) 3.355 7.028 ( -2.827 -0.117 -3.614) 4.590 7.197 ( -12.611 4.572 -4.256) 14.073 7.343 ( -0.763 -2.945 -3.083) 4.331 7.574 ( -4.081 0.892 -6.909) 8.073 7.670 ( 5.713 1.682 1.816) 6.226 7.688 ( 5.977 -1.314 3.104) 6.862 7.869 ( 1.469 -3.264 2.464) 4.345 7.938 ( -3.876 1.214 3.923) 5.647 8.094 ( -2.551 -5.567 -1.081) 6.218 8.188 ( -5.061 -0.199 -5.033) 7.140 8.272 ( 2.015 -4.786 2.731) 5.867 8.303 ( 1.742 -2.314 1.644) 3.330 8.571 ( 4.733 -2.187 5.413) 7.516 8.622 ( -2.746 -3.284 8.437) 9.460 8.885 ( -2.269 8.453 -1.525) 8.884 9.018 ( 2.145 2.350 -6.645) 7.367 9.111 ( 3.000 0.176 2.801) 4.109 9.211 ( -1.758 4.977 -4.887) 7.193 9.282 ( -1.272 3.458 -0.966) 3.809 9.537 ( -3.090 -2.229 -3.399) 5.106 9.751 ( 5.023 1.192 0.731) 5.214 9.855 ( 0.654 2.367 -0.899) 2.615 10.117 ( -2.477 0.237 -0.110) 2.490 10.229 ( -1.665 3.114 4.584) 5.786 10.380 ( -0.539 2.947 -4.497) 5.404 10.480 ( -1.374 2.453 -0.556) 2.866 10.764 ( 0.187 -0.695 1.250) 1.443 10.789 ( -0.206 -0.297 1.017) 1.079 10.876 ( 3.730 -4.700 -2.913) 6.670 11.017 ( -7.019 2.680 -4.617) 8.818 11.222 ( 3.893 1.607 -5.563) 6.977 11.376 ( -0.092 -1.416 -6.428) 6.582 11.574 ( -4.794 13.883 1.472) 14.761 12.056 ( 3.008 -0.263 0.861) 3.139 12.190 ( 0.026 -1.355 2.165) 2.554 12.279 ( -1.878 0.752 -1.337) 2.425 12.582 ( -4.583 -7.407 2.940) 9.193 12.783 ( 1.405 4.343 -0.100) 4.565 12.877 ( 3.323 0.221 0.655) 3.394 12.944 ( 1.946 0.641 2.716) 3.402 13.084 ( 2.797 -3.412 -2.186) 4.923 13.444 ( -0.084 0.536 0.586) 0.799 14.125 ( -5.876 -1.713 0.851) 6.179 14.549 ( 2.309 0.190 -1.834) 2.955 15.110 ( -0.470 -3.882 0.701) 3.972 16.240 ( -7.369 10.354 0.573) 12.722 16.967 ( 8.673 -0.814 6.261) 10.728 17.465 ( -6.235 -5.941 -2.922) 9.094 18.724 ( -2.762 -2.607 -2.419) 4.503 18.840 ( -0.206 6.882 -4.418) 8.180 19.149 ( 2.336 -1.931 2.781) 4.113 19.777 ( -7.767 11.193 3.381) 14.037 20.582 ( 9.969 9.906 -0.840) 14.079 21.226 ( -6.651 -11.774 -0.421) 13.530 21.331 ( 7.207 -6.572 0.920) 9.797 21.414 ( 1.031 -2.032 5.099) 5.585 21.879 ( 0.674 -3.190 -4.204) 5.320 22.358 ( -3.550 3.286 -1.601) 5.096 ======================= Grid point 178 (95/97) ======================= q-point: (-0.33 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 97 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 3.253 0.000 -2.202) 3.928 2.614 ( -16.145 -0.000 5.304) 16.994 2.824 ( -2.366 -0.000 4.566) 5.143 3.055 ( -2.679 -0.000 1.226) 2.946 3.246 ( -0.413 -0.000 -5.495) 5.511 3.278 ( -3.467 -0.000 8.384) 9.073 3.415 ( -0.565 -0.000 2.071) 2.146 3.441 ( 7.125 0.000 -0.709) 7.160 3.591 ( -4.281 -0.000 12.207) 12.936 3.670 ( 1.751 0.000 6.127) 6.373 3.803 ( 1.858 0.000 -2.783) 3.347 3.880 ( -3.157 -0.000 -4.725) 5.683 3.899 ( -6.448 -0.000 4.723) 7.993 4.014 ( 2.533 0.000 -0.875) 2.680 4.030 ( 6.314 0.000 3.362) 7.154 4.147 ( 2.661 0.000 -8.724) 9.121 4.343 ( -2.505 -0.000 6.039) 6.538 4.670 ( -6.002 -0.000 8.239) 10.194 4.721 ( 5.249 0.000 1.958) 5.603 4.838 ( 1.216 0.000 -0.592) 1.353 5.103 ( 2.334 0.000 -2.084) 3.129 5.180 ( 0.766 0.000 -0.126) 0.776 5.304 ( 1.644 0.000 -4.374) 4.673 5.447 ( -3.732 -0.000 -6.764) 7.725 5.480 ( 1.118 0.000 -4.222) 4.367 5.671 ( 2.247 0.000 -0.626) 2.332 5.712 ( -4.132 -0.000 12.344) 13.017 5.776 ( 6.103 0.000 -4.003) 7.299 5.863 ( 6.361 0.000 -3.158) 7.102 6.011 ( -6.170 -0.000 -7.756) 9.911 6.141 ( 1.638 0.000 -1.274) 2.075 6.290 ( -1.255 -0.000 -3.005) 3.256 6.389 ( 11.870 0.000 2.625) 12.156 6.480 ( 6.092 0.000 6.716) 9.068 6.695 ( 3.065 0.000 -1.897) 3.605 6.799 ( 4.470 0.000 -4.114) 6.075 6.853 ( 5.006 0.000 -4.190) 6.528 6.884 ( 3.660 0.000 6.002) 7.029 7.032 ( -3.149 -0.000 -5.753) 6.559 7.253 ( -1.733 -0.000 1.525) 2.308 7.301 ( -11.504 -0.000 -9.217) 14.741 7.555 ( -2.420 -0.000 -0.455) 2.462 7.676 ( 9.815 0.000 2.150) 10.048 7.730 ( 0.841 0.000 3.645) 3.741 7.823 ( 4.660 0.000 2.950) 5.516 7.955 ( -11.322 -0.000 -3.408) 11.824 8.006 ( -0.216 -0.000 4.026) 4.032 8.185 ( 4.548 0.000 2.442) 5.162 8.192 ( -7.790 -0.000 -5.652) 9.624 8.253 ( 4.910 0.000 7.168) 8.689 8.572 ( -3.107 -0.000 9.446) 9.944 8.578 ( 0.210 0.000 3.470) 3.477 9.011 ( 0.733 0.000 -2.215) 2.333 9.037 ( 4.344 0.000 -6.861) 8.120 9.114 ( -1.383 -0.000 2.632) 2.974 9.276 ( -1.786 -0.000 -0.302) 1.812 9.380 ( 4.635 0.000 -2.437) 5.237 9.449 ( -7.776 -0.000 -8.351) 11.411 9.773 ( 5.107 0.000 1.390) 5.293 9.899 ( -0.079 -0.000 -1.592) 1.594 10.103 ( -6.871 -0.000 1.000) 6.943 10.278 ( -3.362 -0.000 4.175) 5.360 10.463 ( -0.853 -0.000 -5.806) 5.869 10.498 ( -2.333 -0.000 -1.867) 2.989 10.675 ( 2.002 0.000 -6.537) 6.836 10.815 ( -2.358 -0.000 2.493) 3.431 10.822 ( 5.959 0.000 0.553) 5.984 11.040 ( -10.832 -0.000 -3.195) 11.293 11.274 ( 5.805 0.000 -4.330) 7.242 11.328 ( 0.205 0.000 -9.781) 9.784 11.898 ( 2.369 0.000 -1.262) 2.684 12.035 ( -0.942 -0.000 -0.583) 1.108 12.132 ( 0.875 0.000 4.485) 4.569 12.316 ( -2.801 -0.000 -0.740) 2.897 12.383 ( -11.261 -0.000 3.874) 11.909 12.845 ( 5.443 0.000 -3.832) 6.657 12.862 ( 2.282 0.000 2.652) 3.499 12.983 ( 9.141 0.000 4.905) 10.374 13.031 ( -5.574 -0.000 -1.349) 5.735 13.459 ( 0.611 0.000 1.253) 1.394 14.103 ( -6.246 -0.000 2.346) 6.672 14.556 ( 2.414 0.000 -2.237) 3.291 15.046 ( -0.618 -0.000 1.343) 1.478 16.426 ( -10.313 -0.000 -3.105) 10.770 16.941 ( 7.252 0.000 9.147) 11.673 17.371 ( -5.059 -0.000 -2.197) 5.516 18.644 ( -1.425 -0.000 -6.523) 6.677 19.028 ( 7.007 0.000 5.888) 9.153 19.062 ( -8.094 -0.000 -5.198) 9.620 20.003 ( -8.733 -0.000 6.807) 11.073 20.667 ( -13.123 -0.000 -10.639) 16.894 21.079 ( 22.263 0.000 4.883) 22.792 21.171 ( 2.408 0.000 4.513) 5.116 21.402 ( 0.637 0.000 2.870) 2.940 21.845 ( 2.439 0.000 -4.155) 4.819 22.413 ( -3.593 -0.000 -0.794) 3.679 ======================= Grid point 179 (96/97) ======================= q-point: (-0.17 -0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -1.538 3.850 -3.163) 5.215 2.426 ( -14.853 -4.180 9.909) 18.338 2.836 ( -5.775 -3.577 8.276) 10.707 3.029 ( -2.421 -2.447 -0.242) 3.451 3.183 ( -2.042 1.061 -4.457) 5.016 3.260 ( -0.618 0.516 3.067) 3.171 3.396 ( -1.392 4.427 7.454) 8.780 3.525 ( 5.288 1.248 -0.785) 5.489 3.608 ( -14.254 0.203 -2.741) 14.517 3.652 ( 1.876 -2.486 8.033) 8.616 3.742 ( -0.203 -4.103 -1.017) 4.232 3.814 ( -2.226 -0.689 -5.123) 5.629 3.967 ( 4.257 1.195 5.042) 6.706 4.082 ( 2.719 -0.078 -0.939) 2.878 4.092 ( 3.340 -0.617 -0.141) 3.400 4.223 ( 6.988 -4.059 -0.250) 8.085 4.361 ( -1.919 -0.175 8.302) 8.523 4.593 ( -5.460 0.890 3.446) 6.517 4.784 ( 2.477 -0.091 -1.461) 2.877 4.873 ( 2.046 0.036 3.855) 4.365 5.112 ( 2.893 2.655 -1.493) 4.201 5.188 ( 1.420 0.353 -1.922) 2.416 5.301 ( -0.825 5.461 -2.967) 6.269 5.386 ( 4.960 -0.391 -5.890) 7.710 5.485 ( 0.100 -1.681 -1.325) 2.143 5.621 ( -1.151 4.073 -1.387) 4.454 5.766 ( -0.574 -1.430 7.004) 7.172 5.844 ( 1.016 1.049 -2.415) 2.822 5.910 ( 6.717 3.839 -1.983) 7.986 5.988 ( 5.416 0.743 -1.071) 5.571 6.135 ( 2.851 0.502 -3.906) 4.862 6.287 ( 3.011 -1.929 -3.193) 4.794 6.531 ( 4.581 0.864 -1.327) 4.847 6.612 ( 1.663 -2.404 0.595) 2.983 6.741 ( 4.044 -4.929 -0.111) 6.377 6.836 ( 2.409 1.144 -0.532) 2.720 6.892 ( -5.787 -2.854 -0.602) 6.480 6.926 ( -1.205 3.391 3.186) 4.806 6.992 ( -0.779 -1.000 1.437) 1.916 7.098 ( 2.124 2.050 -6.683) 7.306 7.272 ( -1.015 -3.402 -1.559) 3.877 7.480 ( -5.077 1.860 -1.710) 5.671 7.707 ( -5.607 2.397 3.418) 6.991 7.820 ( 4.464 -2.424 2.951) 5.875 7.852 ( 1.207 -1.228 2.315) 2.885 7.904 ( 0.605 -1.166 -0.927) 1.608 8.027 ( 0.436 -2.691 -0.325) 2.745 8.122 ( 1.596 0.072 0.473) 1.666 8.286 ( 3.499 -2.638 3.764) 5.777 8.346 ( 3.107 0.558 1.283) 3.408 8.605 ( -0.870 -1.500 9.313) 9.473 8.651 ( 5.084 -2.001 8.251) 9.896 8.883 ( -7.393 4.263 -6.947) 11.004 9.033 ( -0.068 3.213 -6.323) 7.093 9.132 ( -0.803 -2.745 1.361) 3.168 9.214 ( -4.648 5.608 -7.107) 10.177 9.264 ( -3.075 0.608 -2.200) 3.830 9.467 ( 2.934 -3.128 -2.824) 5.135 9.828 ( 2.514 0.953 0.007) 2.689 9.872 ( -0.971 1.866 -2.509) 3.274 10.013 ( -7.418 -3.450 1.039) 8.247 10.229 ( -4.306 0.602 2.923) 5.239 10.370 ( -3.109 2.518 -3.573) 5.363 10.449 ( -3.133 -0.422 -0.902) 3.288 10.712 ( 2.705 -4.468 -6.256) 8.149 10.760 ( -4.380 -0.234 0.709) 4.443 10.905 ( -3.540 0.904 -0.808) 3.742 10.945 ( 6.194 -1.697 -3.728) 7.426 11.291 ( 5.762 1.749 -6.756) 9.050 11.349 ( 3.326 -0.939 -4.769) 5.890 11.680 ( -9.528 17.267 1.865) 19.809 12.081 ( -4.684 -9.366 -0.365) 10.479 12.153 ( 1.774 5.068 2.496) 5.921 12.270 ( 0.717 0.271 -1.018) 1.274 12.393 ( -2.943 -11.523 2.308) 12.115 12.854 ( 0.482 2.682 -1.128) 2.949 12.909 ( -0.201 -0.658 -1.230) 1.409 12.954 ( 0.224 0.869 -0.153) 0.910 13.108 ( 1.797 -0.505 4.540) 4.908 13.452 ( -1.459 0.714 1.096) 1.960 14.088 ( 3.536 -0.608 -0.233) 3.595 14.567 ( 0.381 0.506 -0.396) 0.747 15.085 ( 1.853 -2.335 2.538) 3.915 16.198 ( -11.208 4.723 -1.461) 12.250 17.133 ( 7.800 -0.220 11.389) 13.806 17.270 ( -8.400 -4.136 -2.396) 9.665 18.601 ( -2.809 -3.308 -6.362) 7.701 18.907 ( -2.432 5.597 -0.903) 6.169 19.192 ( 7.037 -2.926 2.037) 7.889 19.804 ( -9.988 10.271 2.806) 14.599 20.459 ( -15.814 -10.250 -8.593) 20.712 21.219 ( 3.953 1.767 4.850) 6.502 21.394 ( 5.702 -1.735 -2.148) 6.335 21.509 ( 14.509 -0.845 6.915) 16.094 21.849 ( 0.493 -0.395 -2.189) 2.278 22.354 ( -0.864 2.665 -0.746) 2.900 ======================= Grid point 185 (97/97) ======================= q-point: (-0.17 -0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( -5.816 -0.000 -2.367) 6.279 2.222 ( -13.499 -0.000 13.592) 19.157 2.642 ( -23.725 -0.000 10.841) 26.085 2.926 ( -5.313 -0.000 -3.422) 6.320 3.174 ( 2.802 0.000 -4.299) 5.132 3.314 ( 5.299 0.000 0.329) 5.309 3.405 ( -6.640 -0.000 -3.875) 7.688 3.496 ( 2.993 0.000 12.263) 12.623 3.545 ( 0.444 0.000 -4.894) 4.914 3.680 ( -0.687 -0.000 -2.666) 2.753 3.713 ( -2.197 -0.000 -1.541) 2.683 3.796 ( 4.048 0.000 4.860) 6.325 4.055 ( 0.500 0.000 -4.547) 4.574 4.071 ( 1.965 0.000 7.683) 7.930 4.197 ( 5.560 0.000 0.461) 5.580 4.274 ( 3.267 0.000 -0.582) 3.318 4.380 ( -1.373 -0.000 6.369) 6.515 4.548 ( -2.685 -0.000 0.784) 2.798 4.791 ( 0.971 0.000 -4.029) 4.145 4.945 ( 2.526 0.000 7.739) 8.140 5.113 ( -3.244 -0.000 -0.055) 3.245 5.187 ( 0.106 0.000 -1.037) 1.042 5.429 ( 2.213 0.000 -5.987) 6.384 5.433 ( 10.105 0.000 0.468) 10.116 5.457 ( 5.374 0.000 -1.061) 5.478 5.669 ( 2.991 0.000 -2.728) 4.048 5.810 ( -4.961 -0.000 -0.255) 4.967 5.818 ( 2.444 0.000 7.500) 7.888 6.033 ( 6.306 0.000 -1.062) 6.394 6.134 ( 0.263 0.000 -2.502) 2.515 6.168 ( 11.283 0.000 -0.311) 11.287 6.257 ( 2.304 0.000 -7.258) 7.615 6.532 ( -0.828 -0.000 -1.294) 1.536 6.667 ( -14.386 -0.000 1.449) 14.459 6.687 ( -0.637 -0.000 -2.575) 2.653 6.771 ( 8.490 0.000 -4.200) 9.472 6.819 ( -2.222 -0.000 -0.874) 2.388 6.986 ( 2.792 0.000 7.474) 7.978 7.033 ( 2.592 0.000 3.448) 4.313 7.152 ( 4.787 0.000 -5.212) 7.077 7.223 ( -2.027 -0.000 -2.690) 3.369 7.457 ( 0.045 0.000 0.206) 0.211 7.618 ( -7.438 -0.000 5.920) 9.506 7.776 ( -4.481 -0.000 -0.076) 4.482 7.937 ( 5.905 0.000 5.636) 8.163 7.948 ( 2.833 0.000 3.152) 4.238 8.034 ( 4.931 0.000 -6.753) 8.361 8.202 ( 3.803 0.000 5.159) 6.409 8.327 ( 1.048 0.000 3.566) 3.717 8.397 ( 2.643 0.000 -1.073) 2.853 8.647 ( 0.033 0.000 10.728) 10.728 8.681 ( -14.538 -0.000 -9.675) 17.463 8.789 ( 7.972 0.000 10.460) 13.151 9.019 ( -0.917 -0.000 -8.917) 8.964 9.056 ( -5.047 -0.000 0.163) 5.049 9.086 ( -7.704 -0.000 -10.695) 13.181 9.242 ( -0.867 -0.000 -1.847) 2.041 9.507 ( 5.144 0.000 -2.198) 5.594 9.822 ( -3.837 -0.000 -5.622) 6.807 9.835 ( -4.488 -0.000 -2.503) 5.139 9.902 ( -2.700 -0.000 5.946) 6.530 10.173 ( -4.371 -0.000 2.292) 4.935 10.327 ( -1.834 -0.000 -2.995) 3.512 10.397 ( -2.536 -0.000 -0.030) 2.536 10.697 ( 5.070 0.000 -8.974) 10.307 10.717 ( -0.837 -0.000 1.488) 1.707 10.812 ( -5.331 -0.000 -0.995) 5.423 11.026 ( 3.844 0.000 -2.950) 4.846 11.365 ( 7.072 0.000 -5.734) 9.104 11.387 ( 4.176 0.000 -3.716) 5.590 11.716 ( -11.062 -0.000 0.244) 11.065 11.796 ( -12.293 -0.000 4.359) 13.043 12.263 ( -0.692 -0.000 0.810) 1.065 12.281 ( 1.618 0.000 2.090) 2.643 12.319 ( 6.616 0.000 -3.246) 7.369 12.798 ( -4.609 -0.000 -0.622) 4.651 12.922 ( -0.212 -0.000 -1.428) 1.444 12.966 ( 0.126 0.000 -0.064) 0.142 13.131 ( -2.068 -0.000 5.137) 5.538 13.434 ( -0.162 -0.000 -1.423) 1.432 14.201 ( 10.603 0.000 -0.574) 10.618 14.567 ( -1.295 -0.000 0.999) 1.636 15.132 ( 3.563 0.000 3.998) 5.355 16.038 ( -11.178 -0.000 -0.353) 11.183 17.044 ( -12.847 -0.000 -2.403) 13.070 17.375 ( 11.336 0.000 17.009) 20.440 18.511 ( -2.263 -0.000 -5.597) 6.038 18.917 ( -0.085 -0.000 2.048) 2.050 19.277 ( 6.161 0.000 -6.375) 8.866 19.741 ( -10.520 -0.000 2.778) 10.881 20.061 ( -17.547 -0.000 -5.493) 18.386 21.288 ( 2.185 0.000 3.391) 4.034 21.414 ( 0.062 0.000 -0.511) 0.514 21.689 ( 2.289 0.000 -4.111) 4.706 21.963 ( 15.559 0.000 5.742) 16.585 22.386 ( 2.394 0.000 -0.381) 2.425 =================== 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 3/31104 10.0 690.795 627.928 567.714 0.000 -15.148 0.000 3/31104 20.0 105.318 95.300 89.070 0.000 -11.400 0.000 3/31104 30.0 40.841 38.928 38.215 0.000 -5.419 0.000 3/31104 40.0 22.832 22.314 22.938 0.000 -3.331 0.000 3/31104 50.0 15.061 14.832 15.777 0.000 -2.296 0.000 3/31104 60.0 10.917 10.752 11.728 0.000 -1.695 0.000 3/31104 70.0 8.422 8.270 9.196 0.000 -1.314 0.000 3/31104 80.0 6.794 6.643 7.501 0.000 -1.057 0.000 3/31104 90.0 5.669 5.517 6.306 0.000 -0.876 0.000 3/31104 100.0 4.854 4.702 5.429 0.000 -0.744 0.000 3/31104 110.0 4.241 4.091 4.763 0.000 -0.644 0.000 3/31104 120.0 3.766 3.618 4.243 0.000 -0.566 0.000 3/31104 130.0 3.389 3.245 3.828 0.000 -0.505 0.000 3/31104 140.0 3.083 2.942 3.488 0.000 -0.455 0.000 3/31104 150.0 2.830 2.692 3.206 0.000 -0.415 0.000 3/31104 160.0 2.617 2.484 2.968 0.000 -0.380 0.000 3/31104 170.0 2.436 2.306 2.765 0.000 -0.351 0.000 3/31104 180.0 2.279 2.154 2.589 0.000 -0.326 0.000 3/31104 190.0 2.143 2.021 2.436 0.000 -0.305 0.000 3/31104 200.0 2.024 1.905 2.301 0.000 -0.286 0.000 3/31104 210.0 1.918 1.802 2.180 0.000 -0.269 0.000 3/31104 220.0 1.823 1.711 2.073 0.000 -0.254 0.000 3/31104 230.0 1.738 1.628 1.976 0.000 -0.241 0.000 3/31104 240.0 1.661 1.554 1.889 0.000 -0.229 0.000 3/31104 250.0 1.591 1.487 1.809 0.000 -0.218 0.000 3/31104 260.0 1.527 1.426 1.736 0.000 -0.208 0.000 3/31104 270.0 1.468 1.369 1.669 0.000 -0.199 0.000 3/31104 280.0 1.414 1.317 1.607 0.000 -0.191 0.000 3/31104 290.0 1.364 1.270 1.550 0.000 -0.183 0.000 3/31104 300.0 1.318 1.225 1.497 0.000 -0.176 0.000 3/31104 310.0 1.275 1.184 1.447 0.000 -0.169 0.000 3/31104 320.0 1.234 1.146 1.401 0.000 -0.163 0.000 3/31104 330.0 1.197 1.110 1.358 0.000 -0.158 0.000 3/31104 340.0 1.161 1.076 1.318 0.000 -0.153 0.000 3/31104 350.0 1.128 1.045 1.279 0.000 -0.148 0.000 3/31104 360.0 1.096 1.015 1.244 0.000 -0.143 0.000 3/31104 370.0 1.067 0.987 1.210 0.000 -0.139 0.000 3/31104 380.0 1.039 0.960 1.178 0.000 -0.135 0.000 3/31104 390.0 1.012 0.935 1.147 0.000 -0.131 0.000 3/31104 400.0 0.987 0.911 1.118 0.000 -0.127 0.000 3/31104 410.0 0.963 0.889 1.091 0.000 -0.124 0.000 3/31104 420.0 0.940 0.867 1.065 0.000 -0.120 0.000 3/31104 430.0 0.918 0.847 1.040 0.000 -0.117 0.000 3/31104 440.0 0.898 0.828 1.017 0.000 -0.114 0.000 3/31104 450.0 0.878 0.809 0.994 0.000 -0.112 0.000 3/31104 460.0 0.859 0.791 0.972 0.000 -0.109 0.000 3/31104 470.0 0.841 0.774 0.952 0.000 -0.106 0.000 3/31104 480.0 0.823 0.758 0.932 0.000 -0.104 0.000 3/31104 490.0 0.807 0.743 0.913 0.000 -0.102 0.000 3/31104 500.0 0.791 0.728 0.895 0.000 -0.100 0.000 3/31104 510.0 0.775 0.713 0.877 0.000 -0.097 0.000 3/31104 520.0 0.761 0.699 0.860 0.000 -0.095 0.000 3/31104 530.0 0.747 0.686 0.844 0.000 -0.094 0.000 3/31104 540.0 0.733 0.673 0.829 0.000 -0.092 0.000 3/31104 550.0 0.720 0.661 0.814 0.000 -0.090 0.000 3/31104 560.0 0.707 0.649 0.799 0.000 -0.088 0.000 3/31104 570.0 0.695 0.638 0.785 0.000 -0.087 0.000 3/31104 580.0 0.683 0.627 0.772 0.000 -0.085 0.000 3/31104 590.0 0.671 0.616 0.759 0.000 -0.083 0.000 3/31104 600.0 0.660 0.606 0.746 0.000 -0.082 0.000 3/31104 610.0 0.649 0.596 0.734 0.000 -0.081 0.000 3/31104 620.0 0.639 0.586 0.722 0.000 -0.079 0.000 3/31104 630.0 0.629 0.577 0.711 0.000 -0.078 0.000 3/31104 640.0 0.619 0.568 0.700 0.000 -0.077 0.000 3/31104 650.0 0.610 0.559 0.689 0.000 -0.075 0.000 3/31104 660.0 0.601 0.551 0.678 0.000 -0.074 0.000 3/31104 670.0 0.592 0.543 0.668 0.000 -0.073 0.000 3/31104 680.0 0.583 0.535 0.659 0.000 -0.072 0.000 3/31104 690.0 0.575 0.527 0.649 0.000 -0.071 0.000 3/31104 700.0 0.567 0.519 0.640 0.000 -0.070 0.000 3/31104 710.0 0.559 0.512 0.631 0.000 -0.069 0.000 3/31104 720.0 0.551 0.505 0.622 0.000 -0.068 0.000 3/31104 730.0 0.544 0.498 0.614 0.000 -0.067 0.000 3/31104 740.0 0.536 0.491 0.605 0.000 -0.066 0.000 3/31104 750.0 0.529 0.485 0.597 0.000 -0.065 0.000 3/31104 760.0 0.522 0.478 0.589 0.000 -0.064 0.000 3/31104 770.0 0.516 0.472 0.582 0.000 -0.063 0.000 3/31104 780.0 0.509 0.466 0.574 0.000 -0.062 0.000 3/31104 790.0 0.503 0.460 0.567 0.000 -0.061 0.000 3/31104 800.0 0.496 0.454 0.560 0.000 -0.061 0.000 3/31104 810.0 0.490 0.449 0.553 0.000 -0.060 0.000 3/31104 820.0 0.484 0.443 0.547 0.000 -0.059 0.000 3/31104 830.0 0.479 0.438 0.540 0.000 -0.058 0.000 3/31104 840.0 0.473 0.433 0.534 0.000 -0.058 0.000 3/31104 850.0 0.467 0.428 0.527 0.000 -0.057 0.000 3/31104 860.0 0.462 0.423 0.521 0.000 -0.056 0.000 3/31104 870.0 0.457 0.418 0.515 0.000 -0.056 0.000 3/31104 880.0 0.452 0.413 0.509 0.000 -0.055 0.000 3/31104 890.0 0.447 0.409 0.504 0.000 -0.054 0.000 3/31104 900.0 0.442 0.404 0.498 0.000 -0.054 0.000 3/31104 910.0 0.437 0.400 0.493 0.000 -0.053 0.000 3/31104 920.0 0.432 0.395 0.487 0.000 -0.052 0.000 3/31104 930.0 0.427 0.391 0.482 0.000 -0.052 0.000 3/31104 940.0 0.423 0.387 0.477 0.000 -0.051 0.000 3/31104 950.0 0.419 0.383 0.472 0.000 -0.051 0.000 3/31104 960.0 0.414 0.379 0.467 0.000 -0.050 0.000 3/31104 970.0 0.410 0.375 0.462 0.000 -0.050 0.000 3/31104 980.0 0.406 0.371 0.458 0.000 -0.049 0.000 3/31104 990.0 0.402 0.367 0.453 0.000 -0.049 0.000 3/31104 1000.0 0.398 0.364 0.448 0.000 -0.048 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m669.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:19:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|