----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:29:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.284838822492608 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477692410000000 0.000000000000000 c -8.255636904755780 0.000000000000000 13.341716320818282 Atomic positions (fractional): *1 Na 0.91959184799059 0.50369039804719 0.74225388421303 22.990 2 Na 0.08040815200941 0.00369039804719 0.75774611578697 22.990 3 Na 0.08040815200941 0.49630960195281 0.25774611578697 22.990 4 Na 0.91959184799059 0.99630960195281 0.24225388421303 22.990 *5 Na 0.58475176595139 0.96386455040746 0.91419637160681 22.990 6 Na 0.41524823404861 0.46386455040746 0.58580362839319 22.990 7 Na 0.41524823404861 0.03613544959254 0.08580362839319 22.990 8 Na 0.58475176595139 0.53613544959254 0.41419637160681 22.990 *9 Na 0.73906104350646 0.48178682134915 0.91267818258864 22.990 10 Na 0.26093895649353 0.98178682134915 0.58732181741136 22.990 11 Na 0.26093895649353 0.51821317865085 0.08732181741136 22.990 12 Na 0.73906104350646 0.01821317865085 0.41267818258864 22.990 *13 Na 0.00395169328591 0.33633237093617 0.58048229863827 22.990 14 Na 0.99604830671409 0.83633237093617 0.91951770136173 22.990 15 Na 0.99604830671409 0.66366762906383 0.41951770136173 22.990 16 Na 0.00395169328591 0.16366762906383 0.08048229863827 22.990 *17 Na 0.68581410978299 0.14700339834975 0.75798229693610 22.990 18 Na 0.31418589021701 0.64700339834975 0.74201770306390 22.990 19 Na 0.31418589021701 0.85299660165025 0.24201770306390 22.990 20 Na 0.68581410978299 0.35299660165025 0.25798229693610 22.990 *21 Ge 0.34266458630923 0.14389886965072 0.41201431162331 72.640 22 Ge 0.65733541369077 0.64389886965072 0.08798568837669 72.640 23 Ge 0.65733541369077 0.85610113034928 0.58798568837669 72.640 24 Ge 0.34266458630923 0.35610113034927 0.91201431162331 72.640 *25 As 0.07305205369310 0.23420015158819 0.91779152496167 74.922 26 As 0.92694794630690 0.73420015158819 0.58220847503833 74.922 27 As 0.92694794630690 0.76579984841181 0.08220847503833 74.922 28 As 0.07305205369310 0.26579984841181 0.41779152496167 74.922 *29 As 0.36009081070641 0.25879952371543 0.76873695827215 74.922 30 As 0.63990918929359 0.75879952371543 0.73126304172785 74.922 31 As 0.63990918929359 0.74120047628457 0.23126304172785 74.922 32 As 0.36009081070641 0.24120047628457 0.26873695827215 74.922 *33 As 0.66012270360402 0.19082161001638 0.56704426205929 74.922 34 As 0.33987729639598 0.69082161001638 0.93295573794071 74.922 35 As 0.33987729639598 0.80917838998362 0.43295573794071 74.922 36 As 0.66012270360402 0.30917838998362 0.06704426205929 74.922 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.284838822492608 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477692410000000 0.000000000000000 c -8.255636904755780 0.000000000000000 13.341716320818282 Atomic positions (fractional): *1 Na 0.91959184799059 0.50369039804719 0.74225388421303 22.990 > 1 2 Na 0.08040815200941 0.00369039804719 0.75774611578697 22.990 > 2 3 Na 0.08040815200941 0.49630960195281 0.25774611578697 22.990 > 3 4 Na 0.91959184799059 0.99630960195281 0.24225388421303 22.990 > 4 *5 Na 0.58475176595139 0.96386455040746 0.91419637160681 22.990 > 5 6 Na 0.41524823404861 0.46386455040746 0.58580362839319 22.990 > 6 7 Na 0.41524823404861 0.03613544959254 0.08580362839319 22.990 > 7 8 Na 0.58475176595139 0.53613544959254 0.41419637160681 22.990 > 8 *9 Na 0.73906104350646 0.48178682134915 0.91267818258864 22.990 > 9 10 Na 0.26093895649353 0.98178682134915 0.58732181741136 22.990 > 10 11 Na 0.26093895649353 0.51821317865085 0.08732181741136 22.990 > 11 12 Na 0.73906104350646 0.01821317865085 0.41267818258864 22.990 > 12 *13 Na 0.00395169328591 0.33633237093617 0.58048229863827 22.990 > 13 14 Na 0.99604830671409 0.83633237093617 0.91951770136173 22.990 > 14 15 Na 0.99604830671409 0.66366762906383 0.41951770136173 22.990 > 15 16 Na 0.00395169328591 0.16366762906383 0.08048229863827 22.990 > 16 *17 Na 0.68581410978299 0.14700339834975 0.75798229693610 22.990 > 17 18 Na 0.31418589021701 0.64700339834975 0.74201770306390 22.990 > 18 19 Na 0.31418589021701 0.85299660165025 0.24201770306390 22.990 > 19 20 Na 0.68581410978299 0.35299660165025 0.25798229693610 22.990 > 20 *21 Ge 0.34266458630923 0.14389886965072 0.41201431162331 72.640 > 21 22 Ge 0.65733541369077 0.64389886965072 0.08798568837669 72.640 > 22 23 Ge 0.65733541369077 0.85610113034928 0.58798568837669 72.640 > 23 24 Ge 0.34266458630923 0.35610113034927 0.91201431162331 72.640 > 24 *25 As 0.07305205369310 0.23420015158819 0.91779152496167 74.922 > 25 26 As 0.92694794630690 0.73420015158819 0.58220847503833 74.922 > 26 27 As 0.92694794630690 0.76579984841181 0.08220847503833 74.922 > 27 28 As 0.07305205369310 0.26579984841181 0.41779152496167 74.922 > 28 *29 As 0.36009081070641 0.25879952371543 0.76873695827215 74.922 > 29 30 As 0.63990918929359 0.75879952371543 0.73126304172785 74.922 > 30 31 As 0.63990918929359 0.74120047628457 0.23126304172785 74.922 > 31 32 As 0.36009081070641 0.24120047628457 0.26873695827215 74.922 > 32 *33 As 0.66012270360402 0.19082161001638 0.56704426205929 74.922 > 33 34 As 0.33987729639598 0.69082161001638 0.93295573794071 74.922 > 34 35 As 0.33987729639598 0.80917838998362 0.43295573794071 74.922 > 35 36 As 0.66012270360402 0.30917838998362 0.06704426205929 74.922 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.569677644985216 0.000000000000000 0.000000000000000 b 0.000000000000000 14.955384820000001 0.000000000000000 c -8.255636904755780 0.000000000000000 13.341716320818282 Atomic positions (fractional): *1 Na 0.45979592399529 0.25184519902359 0.74225388421303 22.990 > 1 2 Na 0.95979592399529 0.25184519902359 0.74225388421303 22.990 > 1 3 Na 0.45979592399529 0.75184519902359 0.74225388421303 22.990 > 1 4 Na 0.95979592399529 0.75184519902359 0.74225388421303 22.990 > 1 5 Na 0.04020407600471 0.00184519902359 0.75774611578697 22.990 > 2 6 Na 0.54020407600471 0.00184519902359 0.75774611578697 22.990 > 2 7 Na 0.04020407600471 0.50184519902359 0.75774611578697 22.990 > 2 8 Na 0.54020407600471 0.50184519902359 0.75774611578697 22.990 > 2 9 Na 0.04020407600471 0.24815480097641 0.25774611578697 22.990 > 3 10 Na 0.54020407600471 0.24815480097641 0.25774611578697 22.990 > 3 11 Na 0.04020407600471 0.74815480097641 0.25774611578697 22.990 > 3 12 Na 0.54020407600471 0.74815480097641 0.25774611578697 22.990 > 3 13 Na 0.45979592399529 0.49815480097641 0.24225388421303 22.990 > 4 14 Na 0.95979592399529 0.49815480097641 0.24225388421303 22.990 > 4 15 Na 0.45979592399529 0.99815480097641 0.24225388421303 22.990 > 4 16 Na 0.95979592399529 0.99815480097641 0.24225388421303 22.990 > 4 *17 Na 0.29237588297570 0.48193227520373 0.91419637160681 22.990 > 5 18 Na 0.79237588297570 0.48193227520373 0.91419637160681 22.990 > 5 19 Na 0.29237588297570 0.98193227520373 0.91419637160681 22.990 > 5 20 Na 0.79237588297570 0.98193227520373 0.91419637160681 22.990 > 5 21 Na 0.20762411702430 0.23193227520373 0.58580362839319 22.990 > 6 22 Na 0.70762411702430 0.23193227520373 0.58580362839319 22.990 > 6 23 Na 0.20762411702430 0.73193227520373 0.58580362839319 22.990 > 6 24 Na 0.70762411702430 0.73193227520373 0.58580362839319 22.990 > 6 25 Na 0.20762411702430 0.01806772479627 0.08580362839319 22.990 > 7 26 Na 0.70762411702430 0.01806772479627 0.08580362839319 22.990 > 7 27 Na 0.20762411702430 0.51806772479627 0.08580362839319 22.990 > 7 28 Na 0.70762411702430 0.51806772479627 0.08580362839319 22.990 > 7 29 Na 0.29237588297570 0.26806772479627 0.41419637160681 22.990 > 8 30 Na 0.79237588297570 0.26806772479627 0.41419637160681 22.990 > 8 31 Na 0.29237588297570 0.76806772479627 0.41419637160681 22.990 > 8 32 Na 0.79237588297570 0.76806772479627 0.41419637160681 22.990 > 8 *33 Na 0.36953052175323 0.24089341067458 0.91267818258864 22.990 > 9 34 Na 0.86953052175323 0.24089341067458 0.91267818258864 22.990 > 9 35 Na 0.36953052175323 0.74089341067458 0.91267818258864 22.990 > 9 36 Na 0.86953052175323 0.74089341067458 0.91267818258864 22.990 > 9 37 Na 0.13046947824677 0.49089341067457 0.58732181741136 22.990 > 10 38 Na 0.63046947824677 0.49089341067457 0.58732181741136 22.990 > 10 39 Na 0.13046947824677 0.99089341067458 0.58732181741136 22.990 > 10 40 Na 0.63046947824677 0.99089341067458 0.58732181741136 22.990 > 10 41 Na 0.13046947824677 0.25910658932543 0.08732181741136 22.990 > 11 42 Na 0.63046947824677 0.25910658932543 0.08732181741136 22.990 > 11 43 Na 0.13046947824677 0.75910658932542 0.08732181741136 22.990 > 11 44 Na 0.63046947824677 0.75910658932542 0.08732181741136 22.990 > 11 45 Na 0.36953052175323 0.00910658932542 0.41267818258864 22.990 > 12 46 Na 0.86953052175323 0.00910658932542 0.41267818258864 22.990 > 12 47 Na 0.36953052175323 0.50910658932542 0.41267818258864 22.990 > 12 48 Na 0.86953052175323 0.50910658932542 0.41267818258864 22.990 > 12 *49 Na 0.00197584664296 0.16816618546808 0.58048229863827 22.990 > 13 50 Na 0.50197584664296 0.16816618546808 0.58048229863827 22.990 > 13 51 Na 0.00197584664296 0.66816618546808 0.58048229863827 22.990 > 13 52 Na 0.50197584664296 0.66816618546808 0.58048229863827 22.990 > 13 53 Na 0.49802415335704 0.41816618546808 0.91951770136173 22.990 > 14 54 Na 0.99802415335704 0.41816618546808 0.91951770136173 22.990 > 14 55 Na 0.49802415335704 0.91816618546808 0.91951770136173 22.990 > 14 56 Na 0.99802415335704 0.91816618546808 0.91951770136173 22.990 > 14 57 Na 0.49802415335704 0.33183381453192 0.41951770136173 22.990 > 15 58 Na 0.99802415335704 0.33183381453192 0.41951770136173 22.990 > 15 59 Na 0.49802415335704 0.83183381453192 0.41951770136173 22.990 > 15 60 Na 0.99802415335704 0.83183381453192 0.41951770136173 22.990 > 15 61 Na 0.00197584664296 0.08183381453192 0.08048229863827 22.990 > 16 62 Na 0.50197584664296 0.08183381453192 0.08048229863827 22.990 > 16 63 Na 0.00197584664296 0.58183381453192 0.08048229863827 22.990 > 16 64 Na 0.50197584664296 0.58183381453192 0.08048229863827 22.990 > 16 *65 Na 0.34290705489150 0.07350169917487 0.75798229693610 22.990 > 17 66 Na 0.84290705489150 0.07350169917487 0.75798229693610 22.990 > 17 67 Na 0.34290705489150 0.57350169917487 0.75798229693610 22.990 > 17 68 Na 0.84290705489150 0.57350169917487 0.75798229693610 22.990 > 17 69 Na 0.15709294510850 0.32350169917487 0.74201770306390 22.990 > 18 70 Na 0.65709294510850 0.32350169917487 0.74201770306390 22.990 > 18 71 Na 0.15709294510850 0.82350169917487 0.74201770306390 22.990 > 18 72 Na 0.65709294510850 0.82350169917487 0.74201770306390 22.990 > 18 73 Na 0.15709294510850 0.42649830082513 0.24201770306390 22.990 > 19 74 Na 0.65709294510850 0.42649830082513 0.24201770306390 22.990 > 19 75 Na 0.15709294510850 0.92649830082513 0.24201770306390 22.990 > 19 76 Na 0.65709294510850 0.92649830082513 0.24201770306390 22.990 > 19 77 Na 0.34290705489150 0.17649830082513 0.25798229693610 22.990 > 20 78 Na 0.84290705489150 0.17649830082513 0.25798229693610 22.990 > 20 79 Na 0.34290705489150 0.67649830082513 0.25798229693610 22.990 > 20 80 Na 0.84290705489150 0.67649830082513 0.25798229693610 22.990 > 20 *81 Ge 0.17133229315462 0.07194943482536 0.41201431162331 72.640 > 21 82 Ge 0.67133229315462 0.07194943482536 0.41201431162331 72.640 > 21 83 Ge 0.17133229315462 0.57194943482536 0.41201431162331 72.640 > 21 84 Ge 0.67133229315462 0.57194943482536 0.41201431162331 72.640 > 21 85 Ge 0.32866770684538 0.32194943482536 0.08798568837669 72.640 > 22 86 Ge 0.82866770684538 0.32194943482536 0.08798568837669 72.640 > 22 87 Ge 0.32866770684538 0.82194943482536 0.08798568837669 72.640 > 22 88 Ge 0.82866770684538 0.82194943482536 0.08798568837669 72.640 > 22 89 Ge 0.32866770684538 0.42805056517464 0.58798568837669 72.640 > 23 90 Ge 0.82866770684538 0.42805056517464 0.58798568837669 72.640 > 23 91 Ge 0.32866770684538 0.92805056517464 0.58798568837669 72.640 > 23 92 Ge 0.82866770684538 0.92805056517464 0.58798568837669 72.640 > 23 93 Ge 0.17133229315462 0.17805056517464 0.91201431162331 72.640 > 24 94 Ge 0.67133229315462 0.17805056517464 0.91201431162331 72.640 > 24 95 Ge 0.17133229315462 0.67805056517464 0.91201431162331 72.640 > 24 96 Ge 0.67133229315462 0.67805056517464 0.91201431162331 72.640 > 24 *97 As 0.03652602684655 0.11710007579409 0.91779152496167 74.922 > 25 98 As 0.53652602684655 0.11710007579409 0.91779152496167 74.922 > 25 99 As 0.03652602684655 0.61710007579409 0.91779152496167 74.922 > 25 100 As 0.53652602684655 0.61710007579409 0.91779152496167 74.922 > 25 101 As 0.46347397315345 0.36710007579409 0.58220847503833 74.922 > 26 102 As 0.96347397315345 0.36710007579409 0.58220847503833 74.922 > 26 103 As 0.46347397315345 0.86710007579409 0.58220847503833 74.922 > 26 104 As 0.96347397315345 0.86710007579409 0.58220847503833 74.922 > 26 105 As 0.46347397315345 0.38289992420591 0.08220847503833 74.922 > 27 106 As 0.96347397315345 0.38289992420591 0.08220847503833 74.922 > 27 107 As 0.46347397315345 0.88289992420591 0.08220847503833 74.922 > 27 108 As 0.96347397315345 0.88289992420591 0.08220847503833 74.922 > 27 109 As 0.03652602684655 0.13289992420590 0.41779152496167 74.922 > 28 110 As 0.53652602684655 0.13289992420590 0.41779152496167 74.922 > 28 111 As 0.03652602684655 0.63289992420591 0.41779152496167 74.922 > 28 112 As 0.53652602684655 0.63289992420591 0.41779152496167 74.922 > 28 *113 As 0.18004540535320 0.12939976185772 0.76873695827215 74.922 > 29 114 As 0.68004540535320 0.12939976185772 0.76873695827215 74.922 > 29 115 As 0.18004540535320 0.62939976185771 0.76873695827215 74.922 > 29 116 As 0.68004540535320 0.62939976185771 0.76873695827215 74.922 > 29 117 As 0.31995459464680 0.37939976185772 0.73126304172785 74.922 > 30 118 As 0.81995459464680 0.37939976185772 0.73126304172785 74.922 > 30 119 As 0.31995459464680 0.87939976185771 0.73126304172785 74.922 > 30 120 As 0.81995459464680 0.87939976185771 0.73126304172785 74.922 > 30 121 As 0.31995459464680 0.37060023814228 0.23126304172785 74.922 > 31 122 As 0.81995459464680 0.37060023814228 0.23126304172785 74.922 > 31 123 As 0.31995459464680 0.87060023814229 0.23126304172785 74.922 > 31 124 As 0.81995459464680 0.87060023814229 0.23126304172785 74.922 > 31 125 As 0.18004540535320 0.12060023814229 0.26873695827215 74.922 > 32 126 As 0.68004540535320 0.12060023814229 0.26873695827215 74.922 > 32 127 As 0.18004540535320 0.62060023814229 0.26873695827215 74.922 > 32 128 As 0.68004540535320 0.62060023814229 0.26873695827215 74.922 > 32 *129 As 0.33006135180201 0.09541080500819 0.56704426205929 74.922 > 33 130 As 0.83006135180201 0.09541080500819 0.56704426205929 74.922 > 33 131 As 0.33006135180201 0.59541080500819 0.56704426205929 74.922 > 33 132 As 0.83006135180201 0.59541080500819 0.56704426205929 74.922 > 33 133 As 0.16993864819799 0.34541080500819 0.93295573794071 74.922 > 34 134 As 0.66993864819799 0.34541080500819 0.93295573794071 74.922 > 34 135 As 0.16993864819799 0.84541080500819 0.93295573794071 74.922 > 34 136 As 0.66993864819799 0.84541080500819 0.93295573794071 74.922 > 34 137 As 0.16993864819799 0.40458919499181 0.43295573794071 74.922 > 35 138 As 0.66993864819799 0.40458919499181 0.43295573794071 74.922 > 35 139 As 0.16993864819799 0.90458919499181 0.43295573794071 74.922 > 35 140 As 0.66993864819799 0.90458919499181 0.43295573794071 74.922 > 35 141 As 0.33006135180201 0.15458919499181 0.06704426205929 74.922 > 36 142 As 0.83006135180201 0.15458919499181 0.06704426205929 74.922 > 36 143 As 0.33006135180201 0.65458919499181 0.06704426205929 74.922 > 36 144 As 0.83006135180201 0.65458919499181 0.06704426205929 74.922 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.8282721 0.0000000 1.1527558 0.0000000 22.2191175 0.0000000 1.1527898 0.0000000 17.1569026 -------------------------- Born effective charges -------------------------- 1 Na 0.9851375 -0.0416973 0.4199827 -0.0838259 1.2548935 -0.0579972 0.3778048 -0.1428015 1.3720044 2 Na 0.9851375 0.0416973 0.4199827 0.0838259 1.2548935 0.0579972 0.3778048 0.1428015 1.3720044 3 Na 0.9851375 -0.0416973 0.4199827 -0.0838259 1.2548935 -0.0579972 0.3778048 -0.1428015 1.3720044 4 Na 0.9851375 0.0416973 0.4199827 0.0838259 1.2548935 0.0579972 0.3778048 0.1428015 1.3720044 5 Na 0.9733342 -0.2591193 -0.2251496 0.0054535 1.5993468 -0.0831049 -0.2351874 0.0383855 1.1421306 6 Na 0.9733342 0.2591193 -0.2251496 -0.0054535 1.5993468 0.0831049 -0.2351874 -0.0383855 1.1421306 7 Na 0.9733342 -0.2591193 -0.2251496 0.0054535 1.5993468 -0.0831049 -0.2351874 0.0383855 1.1421306 8 Na 0.9733342 0.2591193 -0.2251496 -0.0054535 1.5993468 0.0831049 -0.2351874 -0.0383855 1.1421306 9 Na 1.4736025 0.0380182 -0.2413230 0.0268265 0.9309630 -0.1236126 -0.1767318 -0.1180100 1.2148495 10 Na 1.4736025 -0.0380182 -0.2413230 -0.0268265 0.9309630 0.1236126 -0.1767318 0.1180100 1.2148495 11 Na 1.4736025 0.0380182 -0.2413230 0.0268265 0.9309630 -0.1236126 -0.1767318 -0.1180100 1.2148495 12 Na 1.4736025 -0.0380182 -0.2413230 -0.0268265 0.9309630 0.1236126 -0.1767318 0.1180100 1.2148495 13 Na 1.1838433 -0.1309420 -0.2448658 0.1411852 1.0436012 0.2467177 0.1810727 -0.0025914 1.0054990 14 Na 1.1838433 0.1309420 -0.2448658 -0.1411852 1.0436012 -0.2467177 0.1810727 0.0025914 1.0054990 15 Na 1.1838433 -0.1309420 -0.2448658 0.1411852 1.0436012 0.2467177 0.1810727 -0.0025914 1.0054990 16 Na 1.1838433 0.1309420 -0.2448658 -0.1411852 1.0436012 -0.2467177 0.1810727 0.0025914 1.0054990 17 Na 1.1282158 -0.1182338 0.2478164 -0.2000371 0.8554463 0.2673203 -0.2322950 0.2226410 0.9809447 18 Na 1.1282158 0.1182338 0.2478164 0.2000371 0.8554463 -0.2673203 -0.2322950 -0.2226410 0.9809447 19 Na 1.1282158 -0.1182338 0.2478164 -0.2000371 0.8554463 0.2673203 -0.2322950 0.2226410 0.9809447 20 Na 1.1282158 0.1182338 0.2478164 0.2000371 0.8554463 -0.2673203 -0.2322950 -0.2226410 0.9809447 21 Ge 2.4237191 -0.7340361 -0.1453520 -0.9385226 1.3643083 -1.0404082 -0.1071248 -1.2415940 1.8831586 22 Ge 2.4237191 0.7340361 -0.1453520 0.9385226 1.3643083 1.0404082 -0.1071248 1.2415940 1.8831586 23 Ge 2.4237191 -0.7340361 -0.1453520 -0.9385226 1.3643083 -1.0404082 -0.1071248 -1.2415940 1.8831586 24 Ge 2.4237191 0.7340361 -0.1453520 0.9385226 1.3643083 1.0404082 -0.1071248 1.2415940 1.8831586 25 As -3.5183687 -0.6353192 0.0818140 -0.8303879 -2.1656179 0.3268296 -0.1117519 -0.0153590 -2.0808401 26 As -3.5183687 0.6353192 0.0818140 0.8303879 -2.1656179 -0.3268296 -0.1117519 0.0153590 -2.0808401 27 As -3.5183687 -0.6353192 0.0818140 -0.8303879 -2.1656179 0.3268296 -0.1117519 -0.0153590 -2.0808401 28 As -3.5183687 0.6353192 0.0818140 0.8303879 -2.1656179 -0.3268296 -0.1117519 0.0153590 -2.0808401 29 As -2.6377994 0.1233902 0.5370961 0.1181008 -2.1494499 -0.4348231 0.8905910 -0.4259441 -3.0634958 30 As -2.6377994 -0.1233902 0.5370961 -0.1181008 -2.1494499 0.4348231 0.8905910 0.4259441 -3.0634958 31 As -2.6377994 0.1233902 0.5370961 0.1181008 -2.1494499 -0.4348231 0.8905910 -0.4259441 -3.0634958 32 As -2.6377994 -0.1233902 0.5370961 -0.1181008 -2.1494499 0.4348231 0.8905910 0.4259441 -3.0634958 33 As -2.0116842 0.1972706 -0.4300189 0.2857967 -2.7334912 0.6008475 -0.5863776 0.6881425 -2.4542508 34 As -2.0116842 -0.1972706 -0.4300189 -0.2857967 -2.7334912 -0.6008475 -0.5863776 -0.6881425 -2.4542508 35 As -2.0116842 0.1972706 -0.4300189 0.2857967 -2.7334912 0.6008475 -0.5863776 0.6881425 -2.4542508 36 As -2.0116842 -0.1972706 -0.4300189 -0.2857967 -2.7334912 -0.6008475 -0.5863776 -0.6881425 -2.4542508 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.993 Solver_block: 200 / 1120 - Time: 1.790 Solver_block: 300 / 1120 - Time: 1.782 Solver_block: 400 / 1120 - Time: 1.784 Solver_block: 500 / 1120 - Time: 1.792 Solver_block: 600 / 1120 - Time: 1.790 Solver_block: 700 / 1120 - Time: 1.791 Solver_block: 800 / 1120 - Time: 1.787 Solver_block: 900 / 1120 - Time: 1.791 Solver_block: 1000 / 1120 - Time: 1.788 Solver_block: 1100 / 1120 - Time: 1.787 Solver_block: 1120 / 1120 - Time: 0.517 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.893 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), 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 02:30:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:30:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.284838822492608 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477692410000000 0.000000000000000 c -8.255636904755780 0.000000000000000 13.341716320818282 Atomic positions (fractional): 1 Na 0.91959184799059 0.50369039804719 0.74225388421303 22.990 2 Na 0.08040815200941 0.00369039804719 0.75774611578697 22.990 3 Na 0.08040815200941 0.49630960195281 0.25774611578697 22.990 4 Na 0.91959184799059 0.99630960195281 0.24225388421303 22.990 5 Na 0.58475176595139 0.96386455040746 0.91419637160681 22.990 6 Na 0.41524823404861 0.46386455040746 0.58580362839319 22.990 7 Na 0.41524823404861 0.03613544959254 0.08580362839319 22.990 8 Na 0.58475176595139 0.53613544959254 0.41419637160681 22.990 9 Na 0.73906104350646 0.48178682134915 0.91267818258864 22.990 10 Na 0.26093895649353 0.98178682134915 0.58732181741136 22.990 11 Na 0.26093895649353 0.51821317865085 0.08732181741136 22.990 12 Na 0.73906104350646 0.01821317865085 0.41267818258864 22.990 13 Na 0.00395169328591 0.33633237093617 0.58048229863827 22.990 14 Na 0.99604830671409 0.83633237093617 0.91951770136173 22.990 15 Na 0.99604830671409 0.66366762906383 0.41951770136173 22.990 16 Na 0.00395169328591 0.16366762906383 0.08048229863827 22.990 17 Na 0.68581410978299 0.14700339834975 0.75798229693610 22.990 18 Na 0.31418589021701 0.64700339834975 0.74201770306390 22.990 19 Na 0.31418589021701 0.85299660165025 0.24201770306390 22.990 20 Na 0.68581410978299 0.35299660165025 0.25798229693610 22.990 21 Ge 0.34266458630923 0.14389886965072 0.41201431162331 72.640 22 Ge 0.65733541369077 0.64389886965072 0.08798568837669 72.640 23 Ge 0.65733541369077 0.85610113034928 0.58798568837669 72.640 24 Ge 0.34266458630923 0.35610113034927 0.91201431162331 72.640 25 As 0.07305205369310 0.23420015158819 0.91779152496167 74.922 26 As 0.92694794630690 0.73420015158819 0.58220847503833 74.922 27 As 0.92694794630690 0.76579984841181 0.08220847503833 74.922 28 As 0.07305205369310 0.26579984841181 0.41779152496167 74.922 29 As 0.36009081070641 0.25879952371543 0.76873695827215 74.922 30 As 0.63990918929359 0.75879952371543 0.73126304172785 74.922 31 As 0.63990918929359 0.74120047628457 0.23126304172785 74.922 32 As 0.36009081070641 0.24120047628457 0.26873695827215 74.922 33 As 0.66012270360402 0.19082161001638 0.56704426205929 74.922 34 As 0.33987729639598 0.69082161001638 0.93295573794071 74.922 35 As 0.33987729639598 0.80917838998362 0.43295573794071 74.922 36 As 0.66012270360402 0.30917838998362 0.06704426205929 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.569677644985216 0.000000000000000 0.000000000000000 b 0.000000000000000 14.955384820000001 0.000000000000000 c -8.255636904755780 0.000000000000000 13.341716320818282 Atomic positions (fractional): 1 Na 0.45979592399529 0.25184519902359 0.74225388421303 22.990 > 1 2 Na 0.95979592399529 0.25184519902359 0.74225388421303 22.990 > 1 3 Na 0.45979592399529 0.75184519902359 0.74225388421303 22.990 > 1 4 Na 0.95979592399529 0.75184519902359 0.74225388421303 22.990 > 1 5 Na 0.04020407600471 0.00184519902359 0.75774611578697 22.990 > 5 6 Na 0.54020407600471 0.00184519902359 0.75774611578697 22.990 > 5 7 Na 0.04020407600471 0.50184519902359 0.75774611578697 22.990 > 5 8 Na 0.54020407600471 0.50184519902359 0.75774611578697 22.990 > 5 9 Na 0.04020407600471 0.24815480097641 0.25774611578697 22.990 > 9 10 Na 0.54020407600471 0.24815480097641 0.25774611578697 22.990 > 9 11 Na 0.04020407600471 0.74815480097641 0.25774611578697 22.990 > 9 12 Na 0.54020407600471 0.74815480097641 0.25774611578697 22.990 > 9 13 Na 0.45979592399529 0.49815480097641 0.24225388421303 22.990 > 13 14 Na 0.95979592399529 0.49815480097641 0.24225388421303 22.990 > 13 15 Na 0.45979592399529 0.99815480097641 0.24225388421303 22.990 > 13 16 Na 0.95979592399529 0.99815480097641 0.24225388421303 22.990 > 13 17 Na 0.29237588297570 0.48193227520373 0.91419637160681 22.990 > 17 18 Na 0.79237588297570 0.48193227520373 0.91419637160681 22.990 > 17 19 Na 0.29237588297570 0.98193227520373 0.91419637160681 22.990 > 17 20 Na 0.79237588297570 0.98193227520373 0.91419637160681 22.990 > 17 21 Na 0.20762411702430 0.23193227520373 0.58580362839319 22.990 > 21 22 Na 0.70762411702430 0.23193227520373 0.58580362839319 22.990 > 21 23 Na 0.20762411702430 0.73193227520373 0.58580362839319 22.990 > 21 24 Na 0.70762411702430 0.73193227520373 0.58580362839319 22.990 > 21 25 Na 0.20762411702430 0.01806772479627 0.08580362839319 22.990 > 25 26 Na 0.70762411702430 0.01806772479627 0.08580362839319 22.990 > 25 27 Na 0.20762411702430 0.51806772479627 0.08580362839319 22.990 > 25 28 Na 0.70762411702430 0.51806772479627 0.08580362839319 22.990 > 25 29 Na 0.29237588297570 0.26806772479627 0.41419637160681 22.990 > 29 30 Na 0.79237588297570 0.26806772479627 0.41419637160681 22.990 > 29 31 Na 0.29237588297570 0.76806772479627 0.41419637160681 22.990 > 29 32 Na 0.79237588297570 0.76806772479627 0.41419637160681 22.990 > 29 33 Na 0.36953052175323 0.24089341067458 0.91267818258864 22.990 > 33 34 Na 0.86953052175323 0.24089341067458 0.91267818258864 22.990 > 33 35 Na 0.36953052175323 0.74089341067458 0.91267818258864 22.990 > 33 36 Na 0.86953052175323 0.74089341067458 0.91267818258864 22.990 > 33 37 Na 0.13046947824677 0.49089341067457 0.58732181741136 22.990 > 37 38 Na 0.63046947824677 0.49089341067457 0.58732181741136 22.990 > 37 39 Na 0.13046947824677 0.99089341067458 0.58732181741136 22.990 > 37 40 Na 0.63046947824677 0.99089341067458 0.58732181741136 22.990 > 37 41 Na 0.13046947824677 0.25910658932543 0.08732181741136 22.990 > 41 42 Na 0.63046947824677 0.25910658932543 0.08732181741136 22.990 > 41 43 Na 0.13046947824677 0.75910658932542 0.08732181741136 22.990 > 41 44 Na 0.63046947824677 0.75910658932542 0.08732181741136 22.990 > 41 45 Na 0.36953052175323 0.00910658932542 0.41267818258864 22.990 > 45 46 Na 0.86953052175323 0.00910658932542 0.41267818258864 22.990 > 45 47 Na 0.36953052175323 0.50910658932542 0.41267818258864 22.990 > 45 48 Na 0.86953052175323 0.50910658932542 0.41267818258864 22.990 > 45 49 Na 0.00197584664296 0.16816618546808 0.58048229863827 22.990 > 49 50 Na 0.50197584664296 0.16816618546808 0.58048229863827 22.990 > 49 51 Na 0.00197584664296 0.66816618546808 0.58048229863827 22.990 > 49 52 Na 0.50197584664296 0.66816618546808 0.58048229863827 22.990 > 49 53 Na 0.49802415335704 0.41816618546808 0.91951770136173 22.990 > 53 54 Na 0.99802415335704 0.41816618546808 0.91951770136173 22.990 > 53 55 Na 0.49802415335704 0.91816618546808 0.91951770136173 22.990 > 53 56 Na 0.99802415335704 0.91816618546808 0.91951770136173 22.990 > 53 57 Na 0.49802415335704 0.33183381453192 0.41951770136173 22.990 > 57 58 Na 0.99802415335704 0.33183381453192 0.41951770136173 22.990 > 57 59 Na 0.49802415335704 0.83183381453192 0.41951770136173 22.990 > 57 60 Na 0.99802415335704 0.83183381453192 0.41951770136173 22.990 > 57 61 Na 0.00197584664296 0.08183381453192 0.08048229863827 22.990 > 61 62 Na 0.50197584664296 0.08183381453192 0.08048229863827 22.990 > 61 63 Na 0.00197584664296 0.58183381453192 0.08048229863827 22.990 > 61 64 Na 0.50197584664296 0.58183381453192 0.08048229863827 22.990 > 61 65 Na 0.34290705489150 0.07350169917487 0.75798229693610 22.990 > 65 66 Na 0.84290705489150 0.07350169917487 0.75798229693610 22.990 > 65 67 Na 0.34290705489150 0.57350169917487 0.75798229693610 22.990 > 65 68 Na 0.84290705489150 0.57350169917487 0.75798229693610 22.990 > 65 69 Na 0.15709294510850 0.32350169917487 0.74201770306390 22.990 > 69 70 Na 0.65709294510850 0.32350169917487 0.74201770306390 22.990 > 69 71 Na 0.15709294510850 0.82350169917487 0.74201770306390 22.990 > 69 72 Na 0.65709294510850 0.82350169917487 0.74201770306390 22.990 > 69 73 Na 0.15709294510850 0.42649830082513 0.24201770306390 22.990 > 73 74 Na 0.65709294510850 0.42649830082513 0.24201770306390 22.990 > 73 75 Na 0.15709294510850 0.92649830082513 0.24201770306390 22.990 > 73 76 Na 0.65709294510850 0.92649830082513 0.24201770306390 22.990 > 73 77 Na 0.34290705489150 0.17649830082513 0.25798229693610 22.990 > 77 78 Na 0.84290705489150 0.17649830082513 0.25798229693610 22.990 > 77 79 Na 0.34290705489150 0.67649830082513 0.25798229693610 22.990 > 77 80 Na 0.84290705489150 0.67649830082513 0.25798229693610 22.990 > 77 81 Ge 0.17133229315462 0.07194943482536 0.41201431162331 72.640 > 81 82 Ge 0.67133229315462 0.07194943482536 0.41201431162331 72.640 > 81 83 Ge 0.17133229315462 0.57194943482536 0.41201431162331 72.640 > 81 84 Ge 0.67133229315462 0.57194943482536 0.41201431162331 72.640 > 81 85 Ge 0.32866770684538 0.32194943482536 0.08798568837669 72.640 > 85 86 Ge 0.82866770684538 0.32194943482536 0.08798568837669 72.640 > 85 87 Ge 0.32866770684538 0.82194943482536 0.08798568837669 72.640 > 85 88 Ge 0.82866770684538 0.82194943482536 0.08798568837669 72.640 > 85 89 Ge 0.32866770684538 0.42805056517464 0.58798568837669 72.640 > 89 90 Ge 0.82866770684538 0.42805056517464 0.58798568837669 72.640 > 89 91 Ge 0.32866770684538 0.92805056517464 0.58798568837669 72.640 > 89 92 Ge 0.82866770684538 0.92805056517464 0.58798568837669 72.640 > 89 93 Ge 0.17133229315462 0.17805056517464 0.91201431162331 72.640 > 93 94 Ge 0.67133229315462 0.17805056517464 0.91201431162331 72.640 > 93 95 Ge 0.17133229315462 0.67805056517464 0.91201431162331 72.640 > 93 96 Ge 0.67133229315462 0.67805056517464 0.91201431162331 72.640 > 93 97 As 0.03652602684655 0.11710007579409 0.91779152496167 74.922 > 97 98 As 0.53652602684655 0.11710007579409 0.91779152496167 74.922 > 97 99 As 0.03652602684655 0.61710007579409 0.91779152496167 74.922 > 97 100 As 0.53652602684655 0.61710007579409 0.91779152496167 74.922 > 97 101 As 0.46347397315345 0.36710007579409 0.58220847503833 74.922 > 101 102 As 0.96347397315345 0.36710007579409 0.58220847503833 74.922 > 101 103 As 0.46347397315345 0.86710007579409 0.58220847503833 74.922 > 101 104 As 0.96347397315345 0.86710007579409 0.58220847503833 74.922 > 101 105 As 0.46347397315345 0.38289992420591 0.08220847503833 74.922 > 105 106 As 0.96347397315345 0.38289992420591 0.08220847503833 74.922 > 105 107 As 0.46347397315345 0.88289992420591 0.08220847503833 74.922 > 105 108 As 0.96347397315345 0.88289992420591 0.08220847503833 74.922 > 105 109 As 0.03652602684655 0.13289992420590 0.41779152496167 74.922 > 109 110 As 0.53652602684655 0.13289992420590 0.41779152496167 74.922 > 109 111 As 0.03652602684655 0.63289992420591 0.41779152496167 74.922 > 109 112 As 0.53652602684655 0.63289992420591 0.41779152496167 74.922 > 109 113 As 0.18004540535320 0.12939976185772 0.76873695827215 74.922 > 113 114 As 0.68004540535320 0.12939976185772 0.76873695827215 74.922 > 113 115 As 0.18004540535320 0.62939976185771 0.76873695827215 74.922 > 113 116 As 0.68004540535320 0.62939976185771 0.76873695827215 74.922 > 113 117 As 0.31995459464680 0.37939976185772 0.73126304172785 74.922 > 117 118 As 0.81995459464680 0.37939976185772 0.73126304172785 74.922 > 117 119 As 0.31995459464680 0.87939976185771 0.73126304172785 74.922 > 117 120 As 0.81995459464680 0.87939976185771 0.73126304172785 74.922 > 117 121 As 0.31995459464680 0.37060023814228 0.23126304172785 74.922 > 121 122 As 0.81995459464680 0.37060023814228 0.23126304172785 74.922 > 121 123 As 0.31995459464680 0.87060023814229 0.23126304172785 74.922 > 121 124 As 0.81995459464680 0.87060023814229 0.23126304172785 74.922 > 121 125 As 0.18004540535320 0.12060023814229 0.26873695827215 74.922 > 125 126 As 0.68004540535320 0.12060023814229 0.26873695827215 74.922 > 125 127 As 0.18004540535320 0.62060023814229 0.26873695827215 74.922 > 125 128 As 0.68004540535320 0.62060023814229 0.26873695827215 74.922 > 125 129 As 0.33006135180201 0.09541080500819 0.56704426205929 74.922 > 129 130 As 0.83006135180201 0.09541080500819 0.56704426205929 74.922 > 129 131 As 0.33006135180201 0.59541080500819 0.56704426205929 74.922 > 129 132 As 0.83006135180201 0.59541080500819 0.56704426205929 74.922 > 129 133 As 0.16993864819799 0.34541080500819 0.93295573794071 74.922 > 133 134 As 0.66993864819799 0.34541080500819 0.93295573794071 74.922 > 133 135 As 0.16993864819799 0.84541080500819 0.93295573794071 74.922 > 133 136 As 0.66993864819799 0.84541080500819 0.93295573794071 74.922 > 133 137 As 0.16993864819799 0.40458919499181 0.43295573794071 74.922 > 137 138 As 0.66993864819799 0.40458919499181 0.43295573794071 74.922 > 137 139 As 0.16993864819799 0.90458919499181 0.43295573794071 74.922 > 137 140 As 0.66993864819799 0.90458919499181 0.43295573794071 74.922 > 137 141 As 0.33006135180201 0.15458919499181 0.06704426205929 74.922 > 141 142 As 0.83006135180201 0.15458919499181 0.06704426205929 74.922 > 141 143 As 0.33006135180201 0.65458919499181 0.06704426205929 74.922 > 141 144 As 0.83006135180201 0.65458919499181 0.06704426205929 74.922 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 13.8282721 0.0000000 1.1527558 0.0000000 22.2191175 0.0000000 1.1527898 0.0000000 17.1569026 -------------------------- Born effective charges -------------------------- 1 Na 0.9851375 -0.0416973 0.4199827 -0.0838259 1.2548935 -0.0579972 0.3778048 -0.1428015 1.3720044 2 Na 0.9851375 0.0416973 0.4199827 0.0838259 1.2548935 0.0579972 0.3778048 0.1428015 1.3720044 3 Na 0.9851375 -0.0416973 0.4199827 -0.0838259 1.2548935 -0.0579972 0.3778048 -0.1428015 1.3720044 4 Na 0.9851375 0.0416973 0.4199827 0.0838259 1.2548935 0.0579972 0.3778048 0.1428015 1.3720044 5 Na 0.9733342 -0.2591193 -0.2251496 0.0054535 1.5993468 -0.0831049 -0.2351874 0.0383855 1.1421306 6 Na 0.9733342 0.2591193 -0.2251496 -0.0054535 1.5993468 0.0831049 -0.2351874 -0.0383855 1.1421306 7 Na 0.9733342 -0.2591193 -0.2251496 0.0054535 1.5993468 -0.0831049 -0.2351874 0.0383855 1.1421306 8 Na 0.9733342 0.2591193 -0.2251496 -0.0054535 1.5993468 0.0831049 -0.2351874 -0.0383855 1.1421306 9 Na 1.4736025 0.0380182 -0.2413230 0.0268265 0.9309630 -0.1236126 -0.1767318 -0.1180100 1.2148495 10 Na 1.4736025 -0.0380182 -0.2413230 -0.0268265 0.9309630 0.1236126 -0.1767318 0.1180100 1.2148495 11 Na 1.4736025 0.0380182 -0.2413230 0.0268265 0.9309630 -0.1236126 -0.1767318 -0.1180100 1.2148495 12 Na 1.4736025 -0.0380182 -0.2413230 -0.0268265 0.9309630 0.1236126 -0.1767318 0.1180100 1.2148495 13 Na 1.1838433 -0.1309420 -0.2448658 0.1411852 1.0436012 0.2467177 0.1810727 -0.0025914 1.0054990 14 Na 1.1838433 0.1309420 -0.2448658 -0.1411852 1.0436012 -0.2467177 0.1810727 0.0025914 1.0054990 15 Na 1.1838433 -0.1309420 -0.2448658 0.1411852 1.0436012 0.2467177 0.1810727 -0.0025914 1.0054990 16 Na 1.1838433 0.1309420 -0.2448658 -0.1411852 1.0436012 -0.2467177 0.1810727 0.0025914 1.0054990 17 Na 1.1282158 -0.1182338 0.2478164 -0.2000371 0.8554463 0.2673203 -0.2322950 0.2226410 0.9809447 18 Na 1.1282158 0.1182338 0.2478164 0.2000371 0.8554463 -0.2673203 -0.2322950 -0.2226410 0.9809447 19 Na 1.1282158 -0.1182338 0.2478164 -0.2000371 0.8554463 0.2673203 -0.2322950 0.2226410 0.9809447 20 Na 1.1282158 0.1182338 0.2478164 0.2000371 0.8554463 -0.2673203 -0.2322950 -0.2226410 0.9809447 21 Ge 2.4237191 -0.7340361 -0.1453520 -0.9385226 1.3643083 -1.0404082 -0.1071248 -1.2415940 1.8831586 22 Ge 2.4237191 0.7340361 -0.1453520 0.9385226 1.3643083 1.0404082 -0.1071248 1.2415940 1.8831586 23 Ge 2.4237191 -0.7340361 -0.1453520 -0.9385226 1.3643083 -1.0404082 -0.1071248 -1.2415940 1.8831586 24 Ge 2.4237191 0.7340361 -0.1453520 0.9385226 1.3643083 1.0404082 -0.1071248 1.2415940 1.8831586 25 As -3.5183687 -0.6353192 0.0818140 -0.8303879 -2.1656179 0.3268296 -0.1117519 -0.0153590 -2.0808401 26 As -3.5183687 0.6353192 0.0818140 0.8303879 -2.1656179 -0.3268296 -0.1117519 0.0153590 -2.0808401 27 As -3.5183687 -0.6353192 0.0818140 -0.8303879 -2.1656179 0.3268296 -0.1117519 -0.0153590 -2.0808401 28 As -3.5183687 0.6353192 0.0818140 0.8303879 -2.1656179 -0.3268296 -0.1117519 0.0153590 -2.0808401 29 As -2.6377994 0.1233902 0.5370961 0.1181008 -2.1494499 -0.4348231 0.8905910 -0.4259441 -3.0634958 30 As -2.6377994 -0.1233902 0.5370961 -0.1181008 -2.1494499 0.4348231 0.8905910 0.4259441 -3.0634958 31 As -2.6377994 0.1233902 0.5370961 0.1181008 -2.1494499 -0.4348231 0.8905910 -0.4259441 -3.0634958 32 As -2.6377994 -0.1233902 0.5370961 -0.1181008 -2.1494499 0.4348231 0.8905910 0.4259441 -3.0634958 33 As -2.0116842 0.1972706 -0.4300189 0.2857967 -2.7334912 0.6008475 -0.5863776 0.6881425 -2.4542508 34 As -2.0116842 -0.1972706 -0.4300189 -0.2857967 -2.7334912 -0.6008475 -0.5863776 -0.6881425 -2.4542508 35 As -2.0116842 0.1972706 -0.4300189 0.2857967 -2.7334912 0.6008475 -0.5863776 0.6881425 -2.4542508 36 As -2.0116842 -0.1972706 -0.4300189 -0.2857967 -2.7334912 -0.6008475 -0.5863776 -0.6881425 -2.4542508 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 129, 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzx) -0.00000000 (zzx) -0.00000000 (zxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 02:31:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:31:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.284838822492608 0.000000000000000 0.000000000000000 b 0.000000000000000 7.477692410000000 0.000000000000000 c -8.255636904755780 0.000000000000000 13.341716320818282 Atomic positions (fractional): 1 Na 0.91959184799059 0.50369039804719 0.74225388421303 22.990 2 Na 0.08040815200941 0.00369039804719 0.75774611578697 22.990 3 Na 0.08040815200941 0.49630960195281 0.25774611578697 22.990 4 Na 0.91959184799059 0.99630960195281 0.24225388421303 22.990 5 Na 0.58475176595139 0.96386455040746 0.91419637160681 22.990 6 Na 0.41524823404861 0.46386455040746 0.58580362839319 22.990 7 Na 0.41524823404861 0.03613544959254 0.08580362839319 22.990 8 Na 0.58475176595139 0.53613544959254 0.41419637160681 22.990 9 Na 0.73906104350646 0.48178682134915 0.91267818258864 22.990 10 Na 0.26093895649353 0.98178682134915 0.58732181741136 22.990 11 Na 0.26093895649353 0.51821317865085 0.08732181741136 22.990 12 Na 0.73906104350646 0.01821317865085 0.41267818258864 22.990 13 Na 0.00395169328591 0.33633237093617 0.58048229863827 22.990 14 Na 0.99604830671409 0.83633237093617 0.91951770136173 22.990 15 Na 0.99604830671409 0.66366762906383 0.41951770136173 22.990 16 Na 0.00395169328591 0.16366762906383 0.08048229863827 22.990 17 Na 0.68581410978299 0.14700339834975 0.75798229693610 22.990 18 Na 0.31418589021701 0.64700339834975 0.74201770306390 22.990 19 Na 0.31418589021701 0.85299660165025 0.24201770306390 22.990 20 Na 0.68581410978299 0.35299660165025 0.25798229693610 22.990 21 Ge 0.34266458630923 0.14389886965072 0.41201431162331 72.640 22 Ge 0.65733541369077 0.64389886965072 0.08798568837669 72.640 23 Ge 0.65733541369077 0.85610113034928 0.58798568837669 72.640 24 Ge 0.34266458630923 0.35610113034927 0.91201431162331 72.640 25 As 0.07305205369310 0.23420015158819 0.91779152496167 74.922 26 As 0.92694794630690 0.73420015158819 0.58220847503833 74.922 27 As 0.92694794630690 0.76579984841181 0.08220847503833 74.922 28 As 0.07305205369310 0.26579984841181 0.41779152496167 74.922 29 As 0.36009081070641 0.25879952371543 0.76873695827215 74.922 30 As 0.63990918929359 0.75879952371543 0.73126304172785 74.922 31 As 0.63990918929359 0.74120047628457 0.23126304172785 74.922 32 As 0.36009081070641 0.24120047628457 0.26873695827215 74.922 33 As 0.66012270360402 0.19082161001638 0.56704426205929 74.922 34 As 0.33987729639598 0.69082161001638 0.93295573794071 74.922 35 As 0.33987729639598 0.80917838998362 0.43295573794071 74.922 36 As 0.66012270360402 0.30917838998362 0.06704426205929 74.922 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.569677644985216 0.000000000000000 0.000000000000000 b 0.000000000000000 14.955384820000001 0.000000000000000 c -8.255636904755780 0.000000000000000 13.341716320818282 Atomic positions (fractional): 1 Na 0.45979592399529 0.25184519902359 0.74225388421303 22.990 > 1 2 Na 0.95979592399529 0.25184519902359 0.74225388421303 22.990 > 1 3 Na 0.45979592399529 0.75184519902359 0.74225388421303 22.990 > 1 4 Na 0.95979592399529 0.75184519902359 0.74225388421303 22.990 > 1 5 Na 0.04020407600471 0.00184519902359 0.75774611578697 22.990 > 5 6 Na 0.54020407600471 0.00184519902359 0.75774611578697 22.990 > 5 7 Na 0.04020407600471 0.50184519902359 0.75774611578697 22.990 > 5 8 Na 0.54020407600471 0.50184519902359 0.75774611578697 22.990 > 5 9 Na 0.04020407600471 0.24815480097641 0.25774611578697 22.990 > 9 10 Na 0.54020407600471 0.24815480097641 0.25774611578697 22.990 > 9 11 Na 0.04020407600471 0.74815480097641 0.25774611578697 22.990 > 9 12 Na 0.54020407600471 0.74815480097641 0.25774611578697 22.990 > 9 13 Na 0.45979592399529 0.49815480097641 0.24225388421303 22.990 > 13 14 Na 0.95979592399529 0.49815480097641 0.24225388421303 22.990 > 13 15 Na 0.45979592399529 0.99815480097641 0.24225388421303 22.990 > 13 16 Na 0.95979592399529 0.99815480097641 0.24225388421303 22.990 > 13 17 Na 0.29237588297570 0.48193227520373 0.91419637160681 22.990 > 17 18 Na 0.79237588297570 0.48193227520373 0.91419637160681 22.990 > 17 19 Na 0.29237588297570 0.98193227520373 0.91419637160681 22.990 > 17 20 Na 0.79237588297570 0.98193227520373 0.91419637160681 22.990 > 17 21 Na 0.20762411702430 0.23193227520373 0.58580362839319 22.990 > 21 22 Na 0.70762411702430 0.23193227520373 0.58580362839319 22.990 > 21 23 Na 0.20762411702430 0.73193227520373 0.58580362839319 22.990 > 21 24 Na 0.70762411702430 0.73193227520373 0.58580362839319 22.990 > 21 25 Na 0.20762411702430 0.01806772479627 0.08580362839319 22.990 > 25 26 Na 0.70762411702430 0.01806772479627 0.08580362839319 22.990 > 25 27 Na 0.20762411702430 0.51806772479627 0.08580362839319 22.990 > 25 28 Na 0.70762411702430 0.51806772479627 0.08580362839319 22.990 > 25 29 Na 0.29237588297570 0.26806772479627 0.41419637160681 22.990 > 29 30 Na 0.79237588297570 0.26806772479627 0.41419637160681 22.990 > 29 31 Na 0.29237588297570 0.76806772479627 0.41419637160681 22.990 > 29 32 Na 0.79237588297570 0.76806772479627 0.41419637160681 22.990 > 29 33 Na 0.36953052175323 0.24089341067458 0.91267818258864 22.990 > 33 34 Na 0.86953052175323 0.24089341067458 0.91267818258864 22.990 > 33 35 Na 0.36953052175323 0.74089341067458 0.91267818258864 22.990 > 33 36 Na 0.86953052175323 0.74089341067458 0.91267818258864 22.990 > 33 37 Na 0.13046947824677 0.49089341067457 0.58732181741136 22.990 > 37 38 Na 0.63046947824677 0.49089341067457 0.58732181741136 22.990 > 37 39 Na 0.13046947824677 0.99089341067458 0.58732181741136 22.990 > 37 40 Na 0.63046947824677 0.99089341067458 0.58732181741136 22.990 > 37 41 Na 0.13046947824677 0.25910658932543 0.08732181741136 22.990 > 41 42 Na 0.63046947824677 0.25910658932543 0.08732181741136 22.990 > 41 43 Na 0.13046947824677 0.75910658932542 0.08732181741136 22.990 > 41 44 Na 0.63046947824677 0.75910658932542 0.08732181741136 22.990 > 41 45 Na 0.36953052175323 0.00910658932542 0.41267818258864 22.990 > 45 46 Na 0.86953052175323 0.00910658932542 0.41267818258864 22.990 > 45 47 Na 0.36953052175323 0.50910658932542 0.41267818258864 22.990 > 45 48 Na 0.86953052175323 0.50910658932542 0.41267818258864 22.990 > 45 49 Na 0.00197584664296 0.16816618546808 0.58048229863827 22.990 > 49 50 Na 0.50197584664296 0.16816618546808 0.58048229863827 22.990 > 49 51 Na 0.00197584664296 0.66816618546808 0.58048229863827 22.990 > 49 52 Na 0.50197584664296 0.66816618546808 0.58048229863827 22.990 > 49 53 Na 0.49802415335704 0.41816618546808 0.91951770136173 22.990 > 53 54 Na 0.99802415335704 0.41816618546808 0.91951770136173 22.990 > 53 55 Na 0.49802415335704 0.91816618546808 0.91951770136173 22.990 > 53 56 Na 0.99802415335704 0.91816618546808 0.91951770136173 22.990 > 53 57 Na 0.49802415335704 0.33183381453192 0.41951770136173 22.990 > 57 58 Na 0.99802415335704 0.33183381453192 0.41951770136173 22.990 > 57 59 Na 0.49802415335704 0.83183381453192 0.41951770136173 22.990 > 57 60 Na 0.99802415335704 0.83183381453192 0.41951770136173 22.990 > 57 61 Na 0.00197584664296 0.08183381453192 0.08048229863827 22.990 > 61 62 Na 0.50197584664296 0.08183381453192 0.08048229863827 22.990 > 61 63 Na 0.00197584664296 0.58183381453192 0.08048229863827 22.990 > 61 64 Na 0.50197584664296 0.58183381453192 0.08048229863827 22.990 > 61 65 Na 0.34290705489150 0.07350169917487 0.75798229693610 22.990 > 65 66 Na 0.84290705489150 0.07350169917487 0.75798229693610 22.990 > 65 67 Na 0.34290705489150 0.57350169917487 0.75798229693610 22.990 > 65 68 Na 0.84290705489150 0.57350169917487 0.75798229693610 22.990 > 65 69 Na 0.15709294510850 0.32350169917487 0.74201770306390 22.990 > 69 70 Na 0.65709294510850 0.32350169917487 0.74201770306390 22.990 > 69 71 Na 0.15709294510850 0.82350169917487 0.74201770306390 22.990 > 69 72 Na 0.65709294510850 0.82350169917487 0.74201770306390 22.990 > 69 73 Na 0.15709294510850 0.42649830082513 0.24201770306390 22.990 > 73 74 Na 0.65709294510850 0.42649830082513 0.24201770306390 22.990 > 73 75 Na 0.15709294510850 0.92649830082513 0.24201770306390 22.990 > 73 76 Na 0.65709294510850 0.92649830082513 0.24201770306390 22.990 > 73 77 Na 0.34290705489150 0.17649830082513 0.25798229693610 22.990 > 77 78 Na 0.84290705489150 0.17649830082513 0.25798229693610 22.990 > 77 79 Na 0.34290705489150 0.67649830082513 0.25798229693610 22.990 > 77 80 Na 0.84290705489150 0.67649830082513 0.25798229693610 22.990 > 77 81 Ge 0.17133229315462 0.07194943482536 0.41201431162331 72.640 > 81 82 Ge 0.67133229315462 0.07194943482536 0.41201431162331 72.640 > 81 83 Ge 0.17133229315462 0.57194943482536 0.41201431162331 72.640 > 81 84 Ge 0.67133229315462 0.57194943482536 0.41201431162331 72.640 > 81 85 Ge 0.32866770684538 0.32194943482536 0.08798568837669 72.640 > 85 86 Ge 0.82866770684538 0.32194943482536 0.08798568837669 72.640 > 85 87 Ge 0.32866770684538 0.82194943482536 0.08798568837669 72.640 > 85 88 Ge 0.82866770684538 0.82194943482536 0.08798568837669 72.640 > 85 89 Ge 0.32866770684538 0.42805056517464 0.58798568837669 72.640 > 89 90 Ge 0.82866770684538 0.42805056517464 0.58798568837669 72.640 > 89 91 Ge 0.32866770684538 0.92805056517464 0.58798568837669 72.640 > 89 92 Ge 0.82866770684538 0.92805056517464 0.58798568837669 72.640 > 89 93 Ge 0.17133229315462 0.17805056517464 0.91201431162331 72.640 > 93 94 Ge 0.67133229315462 0.17805056517464 0.91201431162331 72.640 > 93 95 Ge 0.17133229315462 0.67805056517464 0.91201431162331 72.640 > 93 96 Ge 0.67133229315462 0.67805056517464 0.91201431162331 72.640 > 93 97 As 0.03652602684655 0.11710007579409 0.91779152496167 74.922 > 97 98 As 0.53652602684655 0.11710007579409 0.91779152496167 74.922 > 97 99 As 0.03652602684655 0.61710007579409 0.91779152496167 74.922 > 97 100 As 0.53652602684655 0.61710007579409 0.91779152496167 74.922 > 97 101 As 0.46347397315345 0.36710007579409 0.58220847503833 74.922 > 101 102 As 0.96347397315345 0.36710007579409 0.58220847503833 74.922 > 101 103 As 0.46347397315345 0.86710007579409 0.58220847503833 74.922 > 101 104 As 0.96347397315345 0.86710007579409 0.58220847503833 74.922 > 101 105 As 0.46347397315345 0.38289992420591 0.08220847503833 74.922 > 105 106 As 0.96347397315345 0.38289992420591 0.08220847503833 74.922 > 105 107 As 0.46347397315345 0.88289992420591 0.08220847503833 74.922 > 105 108 As 0.96347397315345 0.88289992420591 0.08220847503833 74.922 > 105 109 As 0.03652602684655 0.13289992420590 0.41779152496167 74.922 > 109 110 As 0.53652602684655 0.13289992420590 0.41779152496167 74.922 > 109 111 As 0.03652602684655 0.63289992420591 0.41779152496167 74.922 > 109 112 As 0.53652602684655 0.63289992420591 0.41779152496167 74.922 > 109 113 As 0.18004540535320 0.12939976185772 0.76873695827215 74.922 > 113 114 As 0.68004540535320 0.12939976185772 0.76873695827215 74.922 > 113 115 As 0.18004540535320 0.62939976185771 0.76873695827215 74.922 > 113 116 As 0.68004540535320 0.62939976185771 0.76873695827215 74.922 > 113 117 As 0.31995459464680 0.37939976185772 0.73126304172785 74.922 > 117 118 As 0.81995459464680 0.37939976185772 0.73126304172785 74.922 > 117 119 As 0.31995459464680 0.87939976185771 0.73126304172785 74.922 > 117 120 As 0.81995459464680 0.87939976185771 0.73126304172785 74.922 > 117 121 As 0.31995459464680 0.37060023814228 0.23126304172785 74.922 > 121 122 As 0.81995459464680 0.37060023814228 0.23126304172785 74.922 > 121 123 As 0.31995459464680 0.87060023814229 0.23126304172785 74.922 > 121 124 As 0.81995459464680 0.87060023814229 0.23126304172785 74.922 > 121 125 As 0.18004540535320 0.12060023814229 0.26873695827215 74.922 > 125 126 As 0.68004540535320 0.12060023814229 0.26873695827215 74.922 > 125 127 As 0.18004540535320 0.62060023814229 0.26873695827215 74.922 > 125 128 As 0.68004540535320 0.62060023814229 0.26873695827215 74.922 > 125 129 As 0.33006135180201 0.09541080500819 0.56704426205929 74.922 > 129 130 As 0.83006135180201 0.09541080500819 0.56704426205929 74.922 > 129 131 As 0.33006135180201 0.59541080500819 0.56704426205929 74.922 > 129 132 As 0.83006135180201 0.59541080500819 0.56704426205929 74.922 > 129 133 As 0.16993864819799 0.34541080500819 0.93295573794071 74.922 > 133 134 As 0.66993864819799 0.34541080500819 0.93295573794071 74.922 > 133 135 As 0.16993864819799 0.84541080500819 0.93295573794071 74.922 > 133 136 As 0.66993864819799 0.84541080500819 0.93295573794071 74.922 > 133 137 As 0.16993864819799 0.40458919499181 0.43295573794071 74.922 > 137 138 As 0.66993864819799 0.40458919499181 0.43295573794071 74.922 > 137 139 As 0.16993864819799 0.90458919499181 0.43295573794071 74.922 > 137 140 As 0.66993864819799 0.90458919499181 0.43295573794071 74.922 > 137 141 As 0.33006135180201 0.15458919499181 0.06704426205929 74.922 > 141 142 As 0.83006135180201 0.15458919499181 0.06704426205929 74.922 > 141 143 As 0.33006135180201 0.65458919499181 0.06704426205929 74.922 > 141 144 As 0.83006135180201 0.65458919499181 0.06704426205929 74.922 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 13.8282721 0.0000000 1.1527558 0.0000000 22.2191175 0.0000000 1.1527898 0.0000000 17.1569026 -------------------------- Born effective charges -------------------------- 1 Na 0.9851375 -0.0416973 0.4199827 -0.0838259 1.2548935 -0.0579972 0.3778048 -0.1428015 1.3720044 2 Na 0.9851375 0.0416973 0.4199827 0.0838259 1.2548935 0.0579972 0.3778048 0.1428015 1.3720044 3 Na 0.9851375 -0.0416973 0.4199827 -0.0838259 1.2548935 -0.0579972 0.3778048 -0.1428015 1.3720044 4 Na 0.9851375 0.0416973 0.4199827 0.0838259 1.2548935 0.0579972 0.3778048 0.1428015 1.3720044 5 Na 0.9733342 -0.2591193 -0.2251496 0.0054535 1.5993468 -0.0831049 -0.2351874 0.0383855 1.1421306 6 Na 0.9733342 0.2591193 -0.2251496 -0.0054535 1.5993468 0.0831049 -0.2351874 -0.0383855 1.1421306 7 Na 0.9733342 -0.2591193 -0.2251496 0.0054535 1.5993468 -0.0831049 -0.2351874 0.0383855 1.1421306 8 Na 0.9733342 0.2591193 -0.2251496 -0.0054535 1.5993468 0.0831049 -0.2351874 -0.0383855 1.1421306 9 Na 1.4736025 0.0380182 -0.2413230 0.0268265 0.9309630 -0.1236126 -0.1767318 -0.1180100 1.2148495 10 Na 1.4736025 -0.0380182 -0.2413230 -0.0268265 0.9309630 0.1236126 -0.1767318 0.1180100 1.2148495 11 Na 1.4736025 0.0380182 -0.2413230 0.0268265 0.9309630 -0.1236126 -0.1767318 -0.1180100 1.2148495 12 Na 1.4736025 -0.0380182 -0.2413230 -0.0268265 0.9309630 0.1236126 -0.1767318 0.1180100 1.2148495 13 Na 1.1838433 -0.1309420 -0.2448658 0.1411852 1.0436012 0.2467177 0.1810727 -0.0025914 1.0054990 14 Na 1.1838433 0.1309420 -0.2448658 -0.1411852 1.0436012 -0.2467177 0.1810727 0.0025914 1.0054990 15 Na 1.1838433 -0.1309420 -0.2448658 0.1411852 1.0436012 0.2467177 0.1810727 -0.0025914 1.0054990 16 Na 1.1838433 0.1309420 -0.2448658 -0.1411852 1.0436012 -0.2467177 0.1810727 0.0025914 1.0054990 17 Na 1.1282158 -0.1182338 0.2478164 -0.2000371 0.8554463 0.2673203 -0.2322950 0.2226410 0.9809447 18 Na 1.1282158 0.1182338 0.2478164 0.2000371 0.8554463 -0.2673203 -0.2322950 -0.2226410 0.9809447 19 Na 1.1282158 -0.1182338 0.2478164 -0.2000371 0.8554463 0.2673203 -0.2322950 0.2226410 0.9809447 20 Na 1.1282158 0.1182338 0.2478164 0.2000371 0.8554463 -0.2673203 -0.2322950 -0.2226410 0.9809447 21 Ge 2.4237191 -0.7340361 -0.1453520 -0.9385226 1.3643083 -1.0404082 -0.1071248 -1.2415940 1.8831586 22 Ge 2.4237191 0.7340361 -0.1453520 0.9385226 1.3643083 1.0404082 -0.1071248 1.2415940 1.8831586 23 Ge 2.4237191 -0.7340361 -0.1453520 -0.9385226 1.3643083 -1.0404082 -0.1071248 -1.2415940 1.8831586 24 Ge 2.4237191 0.7340361 -0.1453520 0.9385226 1.3643083 1.0404082 -0.1071248 1.2415940 1.8831586 25 As -3.5183687 -0.6353192 0.0818140 -0.8303879 -2.1656179 0.3268296 -0.1117519 -0.0153590 -2.0808401 26 As -3.5183687 0.6353192 0.0818140 0.8303879 -2.1656179 -0.3268296 -0.1117519 0.0153590 -2.0808401 27 As -3.5183687 -0.6353192 0.0818140 -0.8303879 -2.1656179 0.3268296 -0.1117519 -0.0153590 -2.0808401 28 As -3.5183687 0.6353192 0.0818140 0.8303879 -2.1656179 -0.3268296 -0.1117519 0.0153590 -2.0808401 29 As -2.6377994 0.1233902 0.5370961 0.1181008 -2.1494499 -0.4348231 0.8905910 -0.4259441 -3.0634958 30 As -2.6377994 -0.1233902 0.5370961 -0.1181008 -2.1494499 0.4348231 0.8905910 0.4259441 -3.0634958 31 As -2.6377994 0.1233902 0.5370961 0.1181008 -2.1494499 -0.4348231 0.8905910 -0.4259441 -3.0634958 32 As -2.6377994 -0.1233902 0.5370961 -0.1181008 -2.1494499 0.4348231 0.8905910 0.4259441 -3.0634958 33 As -2.0116842 0.1972706 -0.4300189 0.2857967 -2.7334912 0.6008475 -0.5863776 0.6881425 -2.4542508 34 As -2.0116842 -0.1972706 -0.4300189 -0.2857967 -2.7334912 -0.6008475 -0.5863776 -0.6881425 -2.4542508 35 As -2.0116842 0.1972706 -0.4300189 0.2857967 -2.7334912 0.6008475 -0.5863776 0.6881425 -2.4542508 36 As -2.0116842 -0.1972706 -0.4300189 -0.2857967 -2.7334912 -0.6008475 -0.5863776 -0.6881425 -2.4542508 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzx) -0.00000000 (zzx) -0.00000000 (zxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 291, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 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 1.301 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.765 ( 0.000 0.000 0.000) 0.000 1.845 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.299 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.523 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.703 ( 0.000 0.000 0.000) 0.000 2.727 ( 0.000 0.000 0.000) 0.000 2.830 ( 0.000 0.000 0.000) 0.000 2.880 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.988 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.351 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.363 ( 0.000 0.000 0.000) 0.000 3.490 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.791 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.892 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 4.073 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.184 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.298 ( 0.000 0.000 0.000) 0.000 4.403 ( 0.000 0.000 0.000) 0.000 4.426 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.546 ( 0.000 0.000 0.000) 0.000 4.597 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.809 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.859 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.132 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.318 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.488 ( 0.000 0.000 0.000) 0.000 5.611 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.757 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.817 ( 0.000 0.000 0.000) 0.000 5.818 ( 0.000 0.000 0.000) 0.000 5.866 ( 0.000 0.000 0.000) 0.000 5.890 ( 0.000 0.000 0.000) 0.000 5.894 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.949 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.102 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.174 ( 0.000 0.000 0.000) 0.000 6.488 ( 0.000 0.000 0.000) 0.000 6.603 ( 0.000 0.000 0.000) 0.000 6.652 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.175 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.287 ( 0.000 0.000 0.000) 0.000 7.289 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 20.072 0.000 8.399) 21.758 0.497 ( 22.092 0.000 9.876) 24.199 0.776 ( 30.675 0.000 21.155) 37.262 1.369 ( 2.024 0.000 -17.460) 17.577 1.371 ( 6.089 0.000 2.717) 6.667 1.526 ( -7.997 0.000 -13.136) 15.379 1.720 ( -4.763 0.000 -0.395) 4.779 1.748 ( 2.931 0.000 5.247) 6.011 1.833 ( -0.709 0.000 1.557) 1.711 1.927 ( -2.001 0.000 2.661) 3.330 1.981 ( -1.781 0.000 2.795) 3.314 2.090 ( -3.363 0.000 1.083) 3.533 2.093 ( 0.349 0.000 2.025) 2.055 2.198 ( -6.597 0.000 1.245) 6.713 2.297 ( -5.517 0.000 -1.644) 5.757 2.316 ( 0.070 0.000 0.039) 0.080 2.403 ( -2.667 0.000 -0.810) 2.787 2.430 ( -0.237 0.000 -1.589) 1.607 2.536 ( -2.526 0.000 -1.922) 3.175 2.597 ( 0.555 0.000 -0.376) 0.670 2.603 ( 2.469 0.000 5.948) 6.440 2.676 ( 5.272 0.000 2.344) 5.770 2.685 ( -0.793 0.000 -3.505) 3.594 2.793 ( -2.214 0.000 -0.242) 2.227 2.854 ( 1.894 0.000 3.157) 3.682 2.878 ( -3.788 0.000 -1.097) 3.943 2.899 ( 5.111 0.000 3.436) 6.158 2.967 ( 2.194 0.000 0.791) 2.332 2.969 ( 4.895 0.000 -8.491) 9.801 2.997 ( 0.916 0.000 -0.358) 0.984 3.019 ( 0.497 0.000 -2.902) 2.945 3.129 ( 1.468 0.000 1.358) 2.000 3.153 ( 1.892 0.000 0.597) 1.984 3.163 ( 0.718 0.000 -2.211) 2.325 3.234 ( -4.600 0.000 -1.335) 4.790 3.253 ( 1.135 0.000 4.455) 4.598 3.363 ( 0.715 0.000 1.222) 1.416 3.382 ( -0.062 0.000 -0.460) 0.464 3.400 ( 3.515 0.000 1.809) 3.953 3.480 ( -0.990 0.000 -5.472) 5.561 3.485 ( 0.291 0.000 -1.102) 1.140 3.575 ( 2.281 0.000 -1.071) 2.520 3.604 ( 0.795 0.000 -1.084) 1.345 3.606 ( 1.029 0.000 1.816) 2.087 3.647 ( 2.930 0.000 0.003) 2.930 3.706 ( -4.000 0.000 0.619) 4.048 3.708 ( -0.737 0.000 1.106) 1.329 3.775 ( 0.972 0.000 -3.143) 3.290 3.801 ( 1.405 0.000 -0.297) 1.436 3.806 ( 0.363 0.000 0.347) 0.502 3.827 ( 1.245 0.000 0.367) 1.298 3.893 ( 0.227 0.000 -3.697) 3.704 3.921 ( 0.514 0.000 4.389) 4.419 4.067 ( -0.926 0.000 -0.024) 0.927 4.122 ( -3.119 0.000 -1.108) 3.310 4.225 ( 0.106 0.000 3.058) 3.060 4.244 ( 0.564 0.000 -2.931) 2.984 4.255 ( -3.006 0.000 0.034) 3.006 4.405 ( -0.857 0.000 -1.049) 1.355 4.427 ( -1.838 0.000 -4.272) 4.650 4.464 ( 1.694 0.000 1.440) 2.223 4.581 ( 0.756 0.000 -3.148) 3.237 4.625 ( -1.483 0.000 2.838) 3.202 4.691 ( 1.651 0.000 3.639) 3.997 4.709 ( -4.840 0.000 1.549) 5.081 4.730 ( 1.582 0.000 3.919) 4.226 4.835 ( -1.043 0.000 0.962) 1.419 4.866 ( -0.676 0.000 1.042) 1.242 4.919 ( 2.798 0.000 -0.665) 2.876 4.939 ( -2.499 0.000 -2.454) 3.503 5.035 ( 0.420 0.000 -6.503) 6.517 5.065 ( -1.349 0.000 -7.668) 7.786 5.182 ( -1.368 0.000 2.811) 3.126 5.198 ( -3.613 0.000 -2.673) 4.494 5.266 ( -3.799 0.000 -1.021) 3.934 5.279 ( -7.666 0.000 1.740) 7.861 5.360 ( -0.006 0.000 5.786) 5.786 5.402 ( -0.576 0.000 -3.283) 3.334 5.424 ( -0.518 0.000 -1.110) 1.225 5.467 ( -1.437 0.000 0.679) 1.590 5.565 ( 4.093 0.000 3.249) 5.226 5.665 ( 4.021 0.000 0.698) 4.081 5.677 ( 2.936 0.000 -2.658) 3.961 5.724 ( -2.193 0.000 -1.268) 2.533 5.779 ( 0.380 0.000 -0.346) 0.514 5.819 ( -0.795 0.000 -1.312) 1.534 5.830 ( -0.366 0.000 5.299) 5.312 5.838 ( -2.556 0.000 -0.681) 2.645 5.928 ( -0.152 0.000 0.921) 0.934 5.929 ( 0.172 0.000 7.379) 7.381 5.944 ( 3.389 0.000 -1.182) 3.589 6.037 ( 2.383 0.000 3.545) 4.272 6.047 ( -0.691 0.000 -3.690) 3.754 6.118 ( 1.089 0.000 1.862) 2.157 6.141 ( -0.329 0.000 -2.082) 2.107 6.173 ( 0.675 0.000 -0.579) 0.889 6.250 ( 5.940 0.000 0.798) 5.994 6.455 ( -2.173 0.000 -2.213) 3.102 6.626 ( -2.302 0.000 -1.113) 2.557 6.705 ( -6.352 0.000 2.801) 6.942 6.912 ( -1.931 0.000 1.239) 2.294 7.120 ( 4.241 0.000 3.044) 5.220 7.123 ( 1.240 0.000 -1.839) 2.218 7.225 ( -1.728 0.000 -1.611) 2.363 7.254 ( 4.896 0.000 -8.050) 9.422 7.322 ( 1.450 0.000 2.168) 2.609 7.391 ( 8.834 0.000 -2.082) 9.076 7.531 ( 4.186 0.000 -1.659) 4.502 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 18.607 0.000 6.824) 19.819 0.962 ( 19.563 0.000 9.337) 21.677 1.266 ( 7.460 0.000 -12.230) 14.326 1.269 ( -1.769 0.000 -13.907) 14.019 1.483 ( 21.023 0.000 16.466) 26.704 1.561 ( 10.944 0.000 3.872) 11.609 1.597 ( -10.346 0.000 2.645) 10.679 1.684 ( -2.953 0.000 -3.744) 4.769 1.901 ( -2.856 0.000 -0.123) 2.858 1.918 ( -3.348 0.000 0.195) 3.354 1.944 ( -2.335 0.000 5.935) 6.378 2.038 ( -1.827 0.000 -0.987) 2.076 2.053 ( -5.197 0.000 4.410) 6.816 2.233 ( -2.582 0.000 4.596) 5.271 2.243 ( -3.036 0.000 -1.149) 3.246 2.277 ( -3.702 0.000 0.170) 3.706 2.303 ( 0.897 0.000 4.103) 4.200 2.409 ( -1.395 0.000 -2.534) 2.892 2.484 ( -1.343 0.000 -2.390) 2.742 2.568 ( -1.373 0.000 -5.738) 5.900 2.650 ( 3.300 0.000 -5.906) 6.765 2.681 ( 3.619 0.000 -4.655) 5.896 2.740 ( -2.207 0.000 1.388) 2.607 2.787 ( 2.621 0.000 3.816) 4.629 2.851 ( 0.333 0.000 1.307) 1.348 2.859 ( -1.435 0.000 2.772) 3.121 2.937 ( -2.564 0.000 -0.919) 2.724 2.958 ( 1.332 0.000 -3.461) 3.708 3.016 ( 0.710 0.000 1.886) 2.015 3.028 ( 4.722 0.000 -4.670) 6.641 3.069 ( 5.856 0.000 3.523) 6.835 3.165 ( 1.609 0.000 0.914) 1.850 3.173 ( 0.682 0.000 1.333) 1.497 3.195 ( 0.777 0.000 1.867) 2.022 3.211 ( 2.420 0.000 -0.019) 2.420 3.275 ( -1.602 0.000 1.213) 2.009 3.338 ( -2.656 0.000 -0.441) 2.692 3.400 ( 1.016 0.000 2.110) 2.341 3.454 ( 3.177 0.000 -4.806) 5.761 3.480 ( 2.611 0.000 1.090) 2.830 3.488 ( 0.713 0.000 0.547) 0.899 3.582 ( -1.067 0.000 -3.312) 3.480 3.583 ( 1.649 0.000 -4.149) 4.465 3.623 ( -3.064 0.000 -0.450) 3.097 3.641 ( -1.893 0.000 1.276) 2.283 3.692 ( 1.629 0.000 -0.520) 1.710 3.715 ( 4.226 0.000 -1.185) 4.389 3.759 ( -1.275 0.000 0.711) 1.460 3.810 ( -1.973 0.000 1.005) 2.214 3.816 ( -0.938 0.000 -3.306) 3.436 3.852 ( 3.655 0.000 0.802) 3.742 3.875 ( 0.513 0.000 -0.523) 0.732 3.964 ( -2.628 0.000 0.040) 2.628 4.032 ( -2.593 0.000 -0.359) 2.618 4.086 ( -0.983 0.000 5.380) 5.469 4.154 ( -3.888 0.000 -3.421) 5.179 4.248 ( 0.867 0.000 -1.935) 2.121 4.249 ( 0.191 0.000 4.398) 4.403 4.374 ( -2.182 0.000 1.198) 2.489 4.385 ( 0.390 0.000 -1.786) 1.828 4.506 ( 0.940 0.000 2.029) 2.236 4.570 ( 1.199 0.000 -2.481) 2.756 4.606 ( -2.301 0.000 -1.339) 2.662 4.678 ( -1.180 0.000 1.213) 1.692 4.729 ( -7.403 0.000 -6.150) 9.624 4.798 ( 1.727 0.000 4.362) 4.691 4.800 ( 1.020 0.000 2.544) 2.741 4.841 ( 1.258 0.000 3.045) 3.295 4.901 ( 0.024 0.000 2.174) 2.174 4.921 ( -2.094 0.000 1.252) 2.440 4.944 ( -0.657 0.000 -9.070) 9.093 5.017 ( 0.002 0.000 -3.765) 3.765 5.119 ( -3.876 0.000 0.083) 3.877 5.145 ( -4.741 0.000 -2.222) 5.236 5.178 ( -3.430 0.000 0.158) 3.433 5.216 ( -0.605 0.000 2.495) 2.568 5.366 ( -1.051 0.000 0.273) 1.086 5.387 ( -2.976 0.000 4.138) 5.097 5.435 ( 0.170 0.000 1.169) 1.182 5.458 ( 0.818 0.000 -0.411) 0.915 5.573 ( -2.448 0.000 -3.290) 4.101 5.640 ( -2.087 0.000 -3.046) 3.693 5.735 ( 2.591 0.000 0.790) 2.708 5.741 ( 1.107 0.000 0.015) 1.107 5.777 ( 4.043 0.000 0.396) 4.062 5.789 ( -1.412 0.000 -1.689) 2.201 5.874 ( -0.619 0.000 3.925) 3.974 5.893 ( -2.310 0.000 -0.990) 2.513 5.907 ( 4.562 0.000 2.898) 5.405 5.965 ( -0.178 0.000 -2.131) 2.138 5.988 ( -0.623 0.000 5.664) 5.698 6.042 ( 2.762 0.000 -2.055) 3.443 6.090 ( 1.585 0.000 0.375) 1.628 6.103 ( -0.396 0.000 -2.092) 2.129 6.162 ( 1.243 0.000 1.606) 2.031 6.185 ( 0.816 0.000 0.139) 0.827 6.375 ( 5.228 0.000 2.566) 5.824 6.390 ( -1.830 0.000 -1.701) 2.498 6.555 ( -3.240 0.000 -2.721) 4.231 6.609 ( -5.188 0.000 -0.405) 5.203 6.928 ( 1.122 0.000 1.694) 2.031 7.106 ( 0.172 0.000 -3.612) 3.616 7.201 ( 0.153 0.000 0.055) 0.162 7.203 ( 1.903 0.000 2.235) 2.935 7.276 ( 4.061 0.000 -2.767) 4.914 7.380 ( 2.412 0.000 1.986) 3.124 7.526 ( 6.650 0.000 1.144) 6.748 7.592 ( 4.167 0.000 -1.060) 4.300 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 12.206 0.000 2.415) 12.443 1.199 ( 6.232 0.000 -8.568) 10.594 1.310 ( 6.611 0.000 -2.976) 7.250 1.328 ( 6.817 0.000 7.121) 9.858 1.466 ( -2.404 0.000 4.411) 5.023 1.471 ( -8.511 0.000 -3.079) 9.051 1.760 ( -9.612 0.000 -5.159) 10.909 1.816 ( 10.581 0.000 6.115) 12.220 1.831 ( -2.357 0.000 0.177) 2.364 1.894 ( -0.249 0.000 1.129) 1.156 1.946 ( -4.128 0.000 5.969) 7.257 2.010 ( -2.945 0.000 -1.487) 3.299 2.069 ( 6.321 0.000 0.672) 6.356 2.193 ( 1.636 0.000 2.684) 3.143 2.216 ( -1.686 0.000 -1.690) 2.387 2.297 ( 0.349 0.000 9.335) 9.341 2.339 ( -1.682 0.000 -3.021) 3.458 2.426 ( 2.188 0.000 -1.469) 2.635 2.433 ( -3.287 0.000 -8.752) 9.349 2.440 ( 0.007 0.000 5.896) 5.896 2.634 ( -1.195 0.000 -7.028) 7.128 2.639 ( 1.044 0.000 -2.673) 2.869 2.778 ( 1.837 0.000 2.191) 2.859 2.791 ( -0.483 0.000 -0.005) 0.483 2.866 ( -0.496 0.000 0.292) 0.576 2.918 ( 3.157 0.000 1.603) 3.541 2.972 ( 2.049 0.000 3.282) 3.869 2.976 ( 1.864 0.000 2.435) 3.067 3.032 ( -0.817 0.000 1.122) 1.387 3.033 ( 1.193 0.000 -3.721) 3.908 3.150 ( 2.466 0.000 0.323) 2.487 3.155 ( -3.721 0.000 -2.939) 4.741 3.202 ( 1.742 0.000 -0.128) 1.747 3.230 ( -3.241 0.000 -0.881) 3.359 3.245 ( 0.315 0.000 0.425) 0.529 3.253 ( 3.139 0.000 3.411) 4.635 3.350 ( 0.896 0.000 2.788) 2.929 3.405 ( -1.424 0.000 -0.523) 1.517 3.460 ( 1.504 0.000 -0.904) 1.755 3.509 ( -1.739 0.000 -2.455) 3.008 3.521 ( 1.410 0.000 2.428) 2.808 3.529 ( 1.405 0.000 1.158) 1.821 3.559 ( 2.126 0.000 -5.280) 5.692 3.594 ( -0.475 0.000 -1.458) 1.534 3.595 ( -3.927 0.000 1.583) 4.234 3.732 ( 2.184 0.000 -0.448) 2.229 3.738 ( -1.395 0.000 0.191) 1.408 3.753 ( 0.651 0.000 -1.061) 1.244 3.770 ( -2.037 0.000 0.050) 2.038 3.795 ( 1.946 0.000 -1.046) 2.209 3.862 ( -3.746 0.000 -1.452) 4.017 3.870 ( -0.313 0.000 -0.467) 0.562 3.930 ( 2.630 0.000 -0.009) 2.631 3.999 ( -0.883 0.000 1.199) 1.489 4.054 ( -3.477 0.000 -2.473) 4.267 4.108 ( -1.781 0.000 2.214) 2.841 4.251 ( 1.635 0.000 -1.588) 2.279 4.359 ( -1.904 0.000 1.492) 2.419 4.367 ( 3.552 0.000 6.081) 7.042 4.380 ( 0.752 0.000 -1.078) 1.315 4.514 ( -1.982 0.000 -2.818) 3.445 4.548 ( 1.329 0.000 2.686) 2.996 4.549 ( -2.035 0.000 -1.721) 2.665 4.620 ( -0.239 0.000 -0.575) 0.623 4.643 ( -2.829 0.000 -2.511) 3.783 4.796 ( 0.581 0.000 -2.033) 2.115 4.839 ( -2.391 0.000 -2.646) 3.566 4.864 ( -0.902 0.000 1.236) 1.531 4.866 ( 2.521 0.000 2.444) 3.512 4.915 ( 0.168 0.000 -0.267) 0.315 4.955 ( -2.733 0.000 -1.631) 3.182 5.005 ( 2.891 0.000 2.225) 3.648 5.047 ( -2.893 0.000 -1.205) 3.134 5.060 ( -2.971 0.000 1.242) 3.220 5.163 ( 0.848 0.000 -1.078) 1.371 5.274 ( 2.377 0.000 5.005) 5.541 5.372 ( -1.602 0.000 1.328) 2.081 5.378 ( 0.316 0.000 2.233) 2.255 5.419 ( -0.378 0.000 -2.569) 2.596 5.476 ( -0.068 0.000 0.180) 0.192 5.492 ( -1.630 0.000 -3.486) 3.848 5.579 ( -1.497 0.000 -1.142) 1.883 5.698 ( -2.622 0.000 -1.713) 3.132 5.750 ( 0.306 0.000 -0.102) 0.323 5.807 ( 1.439 0.000 -0.388) 1.491 5.855 ( 3.461 0.000 -0.438) 3.489 5.872 ( 0.586 0.000 1.303) 1.429 5.888 ( -1.364 0.000 1.948) 2.378 5.945 ( -0.061 0.000 -1.329) 1.330 5.960 ( -0.481 0.000 1.779) 1.843 6.015 ( -1.687 0.000 -1.874) 2.521 6.059 ( 2.515 0.000 2.567) 3.593 6.099 ( 0.892 0.000 -0.894) 1.263 6.101 ( -0.017 0.000 -0.946) 0.946 6.191 ( 0.437 0.000 0.755) 0.872 6.198 ( 0.202 0.000 0.308) 0.369 6.379 ( 0.440 0.000 1.129) 1.212 6.460 ( 1.881 0.000 1.246) 2.256 6.474 ( -2.019 0.000 -2.735) 3.399 6.542 ( -1.905 0.000 -0.317) 1.931 6.962 ( 0.813 0.000 0.632) 1.030 7.074 ( -0.140 0.000 -1.606) 1.612 7.212 ( 0.494 0.000 0.069) 0.499 7.237 ( 0.544 0.000 0.580) 0.795 7.313 ( 1.581 0.000 -0.407) 1.632 7.432 ( 1.261 0.000 0.962) 1.586 7.620 ( 2.551 0.000 0.712) 2.649 7.638 ( 1.580 0.000 -0.199) 1.592 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 0.000 21.249 0.000) 21.249 0.477 ( 0.000 24.333 0.000) 24.333 0.624 ( 0.000 32.207 0.000) 32.207 1.306 ( 0.000 0.360 0.000) 0.360 1.478 ( 0.000 -3.532 0.000) 3.532 1.635 ( 0.000 3.616 0.000) 3.616 1.735 ( 0.000 -3.252 0.000) 3.252 1.751 ( 0.000 4.034 0.000) 4.034 1.783 ( 0.000 -4.434 0.000) 4.434 1.892 ( 0.000 -3.783 0.000) 3.783 1.958 ( 0.000 -0.708 0.000) 0.708 2.077 ( 0.000 -3.578 0.000) 3.578 2.229 ( 0.000 -1.145 0.000) 1.145 2.254 ( 0.000 -2.643 0.000) 2.643 2.255 ( 0.000 1.947 0.000) 1.947 2.338 ( 0.000 -2.746 0.000) 2.746 2.421 ( 0.000 -3.049 0.000) 3.049 2.436 ( 0.000 -3.193 0.000) 3.193 2.458 ( 0.000 -5.677 0.000) 5.677 2.517 ( 0.000 -3.104 0.000) 3.104 2.574 ( 0.000 -0.008 0.000) 0.008 2.635 ( 0.000 -0.294 0.000) 0.294 2.702 ( 0.000 -1.517 0.000) 1.517 2.738 ( 0.000 -7.661 0.000) 7.661 2.745 ( 0.000 0.794 0.000) 0.794 2.826 ( 0.000 -0.139 0.000) 0.139 2.903 ( 0.000 -4.644 0.000) 4.644 2.929 ( 0.000 -2.411 0.000) 2.411 2.967 ( 0.000 0.559 0.000) 0.559 3.026 ( 0.000 -2.845 0.000) 2.845 3.030 ( 0.000 -1.128 0.000) 1.128 3.056 ( 0.000 -1.962 0.000) 1.962 3.098 ( 0.000 3.004 0.000) 3.004 3.152 ( 0.000 -2.447 0.000) 2.447 3.167 ( 0.000 -3.796 0.000) 3.796 3.261 ( 0.000 -2.507 0.000) 2.507 3.313 ( 0.000 -3.254 0.000) 3.254 3.362 ( 0.000 0.240 0.000) 0.240 3.420 ( 0.000 3.736 0.000) 3.736 3.465 ( 0.000 -1.013 0.000) 1.013 3.514 ( 0.000 -2.375 0.000) 2.375 3.526 ( 0.000 -3.735 0.000) 3.735 3.577 ( 0.000 -0.433 0.000) 0.433 3.619 ( 0.000 1.470 0.000) 1.470 3.643 ( 0.000 -0.182 0.000) 0.182 3.674 ( 0.000 0.434 0.000) 0.434 3.748 ( 0.000 4.903 0.000) 4.903 3.768 ( 0.000 -3.013 0.000) 3.013 3.797 ( 0.000 1.047 0.000) 1.047 3.830 ( 0.000 3.263 0.000) 3.263 3.833 ( 0.000 1.295 0.000) 1.295 3.837 ( 0.000 3.747 0.000) 3.747 3.949 ( 0.000 1.362 0.000) 1.362 4.133 ( 0.000 3.475 0.000) 3.475 4.153 ( 0.000 -1.915 0.000) 1.915 4.252 ( 0.000 1.993 0.000) 1.993 4.266 ( 0.000 2.283 0.000) 2.283 4.320 ( 0.000 2.308 0.000) 2.308 4.360 ( 0.000 -3.159 0.000) 3.159 4.412 ( 0.000 -2.346 0.000) 2.346 4.466 ( 0.000 2.946 0.000) 2.946 4.547 ( 0.000 0.242 0.000) 0.242 4.601 ( 0.000 0.321 0.000) 0.321 4.628 ( 0.000 -1.073 0.000) 1.073 4.744 ( 0.000 4.412 0.000) 4.412 4.776 ( 0.000 -2.582 0.000) 2.582 4.807 ( 0.000 0.458 0.000) 0.458 4.869 ( 0.000 -0.242 0.000) 0.242 4.935 ( 0.000 3.021 0.000) 3.021 4.962 ( 0.000 -7.016 0.000) 7.016 4.976 ( 0.000 2.670 0.000) 2.670 5.173 ( 0.000 0.269 0.000) 0.269 5.225 ( 0.000 -0.221 0.000) 0.221 5.227 ( 0.000 -3.551 0.000) 3.551 5.341 ( 0.000 0.357 0.000) 0.357 5.370 ( 0.000 5.323 0.000) 5.323 5.390 ( 0.000 -1.343 0.000) 1.343 5.400 ( 0.000 -2.154 0.000) 2.154 5.444 ( 0.000 0.214 0.000) 0.214 5.453 ( 0.000 -0.106 0.000) 0.106 5.501 ( 0.000 1.985 0.000) 1.985 5.624 ( 0.000 0.416 0.000) 0.416 5.666 ( 0.000 2.019 0.000) 2.019 5.752 ( 0.000 -1.140 0.000) 1.140 5.753 ( 0.000 -0.496 0.000) 0.496 5.823 ( 0.000 1.063 0.000) 1.063 5.835 ( 0.000 1.145 0.000) 1.145 5.874 ( 0.000 -1.087 0.000) 1.087 5.880 ( 0.000 -2.663 0.000) 2.663 5.913 ( 0.000 0.606 0.000) 0.606 5.963 ( 0.000 1.954 0.000) 1.954 5.988 ( 0.000 3.702 0.000) 3.702 6.056 ( 0.000 -1.700 0.000) 1.700 6.132 ( 0.000 2.401 0.000) 2.401 6.140 ( 0.000 -0.001 0.000) 0.001 6.170 ( 0.000 -0.349 0.000) 0.349 6.212 ( 0.000 1.694 0.000) 1.694 6.444 ( 0.000 -3.054 0.000) 3.054 6.673 ( 0.000 5.582 0.000) 5.582 6.714 ( 0.000 2.282 0.000) 2.282 6.977 ( 0.000 1.794 0.000) 1.794 7.034 ( 0.000 0.368 0.000) 0.368 7.127 ( 0.000 -0.108 0.000) 0.108 7.171 ( 0.000 -0.381 0.000) 0.381 7.287 ( 0.000 1.967 0.000) 1.967 7.290 ( 0.000 0.108 0.000) 0.108 7.305 ( 0.000 2.121 0.000) 2.121 7.503 ( 0.000 0.287 0.000) 0.287 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 14.060 11.626 7.639) 19.778 0.606 ( 13.288 14.870 6.578) 20.999 1.049 ( 23.761 20.759 14.790) 34.846 1.275 ( 1.106 -3.283 -10.576) 11.129 1.439 ( 7.124 2.960 -5.897) 9.710 1.622 ( -6.988 6.459 -7.984) 12.422 1.697 ( -3.843 -1.006 2.326) 4.603 1.755 ( 2.230 0.048 0.587) 2.306 1.820 ( 2.241 -2.240 5.390) 6.252 1.892 ( -1.252 -1.043 -1.186) 2.015 1.961 ( 1.494 -3.950 4.399) 6.098 2.042 ( -4.828 -3.274 0.889) 5.901 2.140 ( -5.689 0.988 -0.438) 5.791 2.190 ( -3.415 -0.051 1.593) 3.768 2.301 ( -2.556 -1.284 -2.281) 3.658 2.321 ( -5.785 -0.073 0.236) 5.790 2.374 ( 1.224 -1.692 -0.995) 2.313 2.412 ( -2.005 -7.306 -4.214) 8.669 2.437 ( 0.407 -0.231 0.240) 0.526 2.532 ( 3.243 -4.997 1.492) 6.142 2.574 ( -0.234 -3.069 3.587) 4.726 2.669 ( 2.082 -2.212 -1.963) 3.617 2.698 ( -1.551 -2.856 0.769) 3.340 2.767 ( 0.662 0.689 2.814) 2.971 2.784 ( 2.357 -3.803 1.702) 4.786 2.838 ( -2.754 -4.591 2.528) 5.920 2.875 ( 1.463 -5.491 -3.866) 6.873 2.908 ( -0.449 -2.929 0.468) 3.000 2.978 ( 1.102 -1.317 -2.703) 3.203 3.008 ( 2.545 1.602 -4.252) 5.208 3.053 ( 4.023 -1.253 0.128) 4.215 3.100 ( 1.626 -0.295 1.863) 2.491 3.113 ( 1.676 -0.247 -1.322) 2.149 3.154 ( 0.387 -1.582 -1.117) 1.975 3.189 ( -3.475 -1.607 0.333) 3.843 3.296 ( -0.001 0.061 -0.777) 0.779 3.318 ( 1.059 -2.314 -1.831) 3.135 3.330 ( 4.168 -4.492 2.619) 6.664 3.429 ( -0.853 2.029 1.575) 2.707 3.454 ( -0.238 -1.158 -1.173) 1.665 3.527 ( -0.247 -0.816 0.564) 1.022 3.544 ( 2.752 -0.288 -2.277) 3.584 3.564 ( 2.108 -2.216 0.169) 3.064 3.633 ( 0.490 -1.843 -1.324) 2.322 3.654 ( 1.727 1.319 -0.693) 2.281 3.705 ( 1.497 1.823 -0.501) 2.412 3.722 ( -2.316 1.321 -0.277) 2.680 3.762 ( 0.450 -3.022 -1.109) 3.251 3.797 ( -1.873 1.144 1.388) 2.597 3.825 ( 0.017 1.294 -0.809) 1.526 3.841 ( 0.992 1.478 0.372) 1.818 3.869 ( 1.425 2.911 1.510) 3.575 3.961 ( 0.881 2.342 2.709) 3.688 4.121 ( -1.210 3.384 -1.039) 3.741 4.158 ( -0.732 -0.296 1.586) 1.772 4.228 ( -1.271 2.716 -0.037) 2.999 4.244 ( -0.999 0.254 -4.132) 4.259 4.281 ( -3.285 2.671 1.183) 4.396 4.356 ( -1.299 -2.905 -0.654) 3.249 4.440 ( 1.753 -0.113 -0.338) 1.789 4.504 ( 1.638 3.087 1.142) 3.676 4.566 ( -0.707 -1.563 -2.148) 2.749 4.593 ( 1.583 -1.249 1.940) 2.798 4.678 ( 2.908 -1.807 4.110) 5.350 4.710 ( -4.871 0.177 2.446) 5.454 4.750 ( -0.698 2.471 2.845) 3.832 4.826 ( 0.887 -1.485 -0.960) 1.978 4.843 ( -2.230 -0.407 0.488) 2.319 4.919 ( -2.560 -2.914 -2.362) 4.542 4.947 ( -0.774 2.545 -2.353) 3.551 5.001 ( 1.788 0.588 -0.964) 2.115 5.112 ( -2.492 1.106 -6.182) 6.757 5.161 ( -1.565 -1.197 -1.851) 2.703 5.231 ( -4.686 0.619 -0.652) 4.771 5.267 ( -3.332 0.060 0.280) 3.344 5.319 ( -1.847 -2.901 3.389) 4.828 5.336 ( -3.497 5.329 -0.449) 6.390 5.393 ( -2.454 -1.101 0.551) 2.745 5.432 ( -2.343 0.738 1.302) 2.780 5.495 ( 1.265 2.006 -1.055) 2.596 5.567 ( 2.929 -0.380 2.491) 3.863 5.665 ( 2.683 0.407 0.335) 2.734 5.680 ( 2.915 0.405 -3.159) 4.317 5.737 ( 0.890 0.492 -0.394) 1.090 5.774 ( -2.063 -0.128 -1.230) 2.406 5.798 ( -0.075 -2.180 4.510) 5.010 5.815 ( 0.813 -0.148 0.094) 0.832 5.868 ( -0.965 2.304 -1.232) 2.785 5.917 ( 1.380 0.003 5.105) 5.288 5.931 ( -0.545 -0.409 0.115) 0.691 5.983 ( 1.790 2.683 1.034) 3.387 6.029 ( 0.178 -1.721 -3.516) 3.919 6.055 ( 1.931 1.267 1.425) 2.714 6.136 ( 1.038 1.195 1.622) 2.267 6.144 ( 0.354 0.146 -1.695) 1.737 6.174 ( 0.684 0.274 0.022) 0.737 6.228 ( 3.196 -0.178 0.965) 3.344 6.438 ( -0.975 -2.234 -1.022) 2.643 6.632 ( -3.352 2.261 -0.082) 4.044 6.715 ( -3.143 2.027 0.147) 3.742 6.933 ( -1.247 2.199 0.378) 2.557 7.101 ( 2.320 -1.320 2.356) 3.560 7.138 ( 2.047 1.086 -0.736) 2.431 7.208 ( 4.912 -1.460 -3.683) 6.311 7.260 ( -0.793 2.855 -1.868) 3.503 7.322 ( 0.908 0.008 2.459) 2.621 7.373 ( 6.453 -0.569 1.705) 6.699 7.529 ( 3.671 -0.273 -1.754) 4.077 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 17.346 5.114 4.738) 18.694 0.953 ( 15.689 3.597 11.253) 19.639 1.201 ( 6.160 -0.245 -9.878) 11.645 1.411 ( 0.889 8.438 -14.493) 16.794 1.552 ( 1.326 0.794 3.051) 3.420 1.612 ( 13.995 7.289 10.268) 18.826 1.635 ( -3.627 3.910 3.542) 6.402 1.716 ( 1.939 3.866 0.850) 4.408 1.862 ( 0.142 -3.309 -1.136) 3.501 1.917 ( -6.370 -0.141 0.105) 6.373 1.952 ( -1.195 0.245 3.204) 3.428 2.029 ( -0.741 -0.262 3.556) 3.642 2.075 ( -1.584 1.510 3.018) 3.728 2.178 ( -3.081 -4.229 -0.168) 5.235 2.214 ( -0.994 -2.434 0.413) 2.662 2.264 ( -3.658 -4.606 -0.559) 5.909 2.303 ( -0.962 2.296 2.485) 3.518 2.392 ( 0.019 -3.831 -2.855) 4.778 2.436 ( -0.781 0.338 0.291) 0.899 2.561 ( 1.785 -5.439 -1.254) 5.860 2.606 ( 1.039 -2.796 -2.469) 3.873 2.671 ( -0.393 -0.752 -4.588) 4.665 2.695 ( -0.200 -3.867 -0.036) 3.872 2.794 ( 1.636 -0.803 1.015) 2.086 2.813 ( 0.177 -2.064 2.768) 3.457 2.840 ( 0.785 -2.594 1.077) 2.916 2.902 ( -1.405 -0.706 -0.463) 1.639 2.932 ( 2.499 -8.112 3.274) 9.098 2.972 ( 1.099 -7.573 -1.445) 7.787 3.000 ( 1.874 -0.959 -3.880) 4.414 3.037 ( -0.879 1.201 -2.041) 2.526 3.108 ( 0.619 -0.545 1.271) 1.515 3.150 ( 3.098 -2.369 0.894) 4.001 3.158 ( 1.211 -3.681 1.306) 4.090 3.215 ( 0.008 1.529 3.498) 3.818 3.277 ( 0.392 -2.285 -0.874) 2.477 3.308 ( -1.748 -2.726 -1.632) 3.627 3.408 ( 4.440 -2.012 -2.774) 5.608 3.439 ( 0.294 -0.179 0.241) 0.421 3.462 ( 3.200 -0.273 -3.070) 4.442 3.534 ( 0.108 0.251 0.859) 0.902 3.562 ( 1.998 2.025 -2.859) 4.034 3.602 ( 0.065 -1.438 0.106) 1.443 3.608 ( -0.818 -1.676 -0.058) 1.866 3.651 ( -1.907 2.267 -0.532) 3.009 3.687 ( -0.730 0.128 -1.138) 1.358 3.736 ( 2.289 1.011 -0.115) 2.504 3.743 ( 0.181 -2.276 -0.955) 2.475 3.789 ( -0.648 1.177 1.141) 1.763 3.815 ( -0.205 0.663 -0.665) 0.961 3.856 ( -0.765 -0.724 1.247) 1.632 3.905 ( 1.020 3.134 1.364) 3.567 4.013 ( -0.685 4.250 1.201) 4.469 4.062 ( -2.571 3.306 -2.163) 4.713 4.149 ( -2.692 2.404 -1.951) 4.103 4.181 ( -0.593 2.539 1.806) 3.172 4.218 ( 0.888 -1.997 2.002) 2.964 4.253 ( -1.305 1.475 0.701) 2.090 4.329 ( -0.166 -2.057 -1.051) 2.316 4.437 ( -1.182 2.395 -0.436) 2.706 4.522 ( -0.745 0.502 1.832) 2.040 4.567 ( 1.765 0.325 -1.087) 2.098 4.611 ( -1.118 0.907 0.044) 1.440 4.669 ( -1.449 0.203 0.392) 1.514 4.734 ( -4.037 -0.628 -2.223) 4.651 4.777 ( -1.239 -2.343 1.263) 2.936 4.822 ( 1.044 -1.750 2.923) 3.564 4.843 ( -0.284 -1.993 -1.717) 2.646 4.846 ( 2.418 1.421 1.225) 3.060 4.893 ( -3.426 0.116 0.518) 3.467 4.967 ( 0.691 1.712 -3.184) 3.680 5.021 ( -3.556 -0.040 -3.602) 5.061 5.125 ( -3.145 -0.191 -0.044) 3.151 5.138 ( -3.429 -0.300 -1.937) 3.949 5.214 ( -0.918 2.290 -1.833) 3.074 5.281 ( -1.783 4.172 0.798) 4.607 5.332 ( -2.470 -0.965 3.404) 4.315 5.379 ( -1.234 -4.175 3.500) 5.586 5.420 ( -1.725 1.978 2.486) 3.615 5.483 ( 0.329 2.098 -2.476) 3.262 5.564 ( -1.551 -1.008 -2.871) 3.415 5.644 ( -2.326 0.009 -3.100) 3.875 5.725 ( -0.728 -0.834 -0.050) 1.108 5.740 ( 3.967 0.352 1.413) 4.225 5.791 ( 2.144 0.658 0.456) 2.289 5.834 ( -0.746 2.757 0.289) 2.870 5.845 ( 0.465 -0.665 2.749) 2.866 5.903 ( -0.893 -0.133 -1.118) 1.437 5.908 ( 3.357 0.027 2.133) 3.978 5.959 ( -0.487 -0.379 -2.200) 2.285 5.987 ( 0.774 -0.115 4.913) 4.975 6.048 ( 2.290 0.912 -1.792) 3.048 6.091 ( 0.807 -0.260 -0.204) 0.872 6.111 ( 0.418 0.810 -2.325) 2.497 6.173 ( 0.485 1.029 1.745) 2.083 6.200 ( 1.281 1.534 1.038) 2.252 6.314 ( 3.239 -3.715 0.904) 5.011 6.412 ( -0.012 -0.011 0.019) 0.025 6.565 ( -3.152 1.323 -1.439) 3.709 6.622 ( -5.294 1.432 -1.537) 5.695 6.950 ( 1.327 2.186 1.088) 2.779 7.138 ( 1.589 -1.138 -0.953) 2.175 7.150 ( -0.372 1.766 -0.594) 1.899 7.253 ( 0.726 2.433 1.308) 2.857 7.256 ( 3.807 -1.195 -2.278) 4.595 7.376 ( 2.414 -0.555 1.873) 3.106 7.507 ( 6.066 -1.780 1.654) 6.534 7.577 ( 3.583 -1.524 -1.485) 4.167 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 10.689 3.005 0.343) 11.109 1.272 ( 6.903 6.078 -3.498) 9.840 1.304 ( 10.006 -1.835 6.974) 12.334 1.355 ( 5.801 5.011 -4.295) 8.787 1.481 ( -6.392 1.941 2.845) 7.261 1.483 ( -7.799 1.640 -2.366) 8.313 1.736 ( -6.445 -2.999 -0.792) 7.153 1.785 ( 0.369 -1.005 -2.027) 2.292 1.824 ( -3.912 -1.630 0.459) 4.263 1.919 ( -0.022 3.256 0.239) 3.265 1.972 ( 2.281 2.148 6.286) 7.024 2.055 ( -0.261 2.941 0.173) 2.958 2.113 ( 5.671 3.495 1.290) 6.785 2.179 ( -0.935 -0.445 3.150) 3.315 2.200 ( -0.375 -2.752 1.774) 3.295 2.292 ( 1.219 -1.349 3.425) 3.878 2.322 ( 1.006 -3.979 -3.791) 5.587 2.389 ( 0.664 2.551 -0.675) 2.721 2.437 ( 3.040 0.019 4.954) 5.812 2.505 ( -4.943 0.605 -6.448) 8.147 2.567 ( -2.235 -1.490 -2.465) 3.646 2.617 ( 1.799 -5.508 -3.610) 6.827 2.713 ( 1.599 -2.640 0.059) 3.087 2.779 ( -2.581 -2.810 0.473) 3.845 2.795 ( -1.187 -5.141 0.459) 5.296 2.891 ( 2.135 -4.133 2.272) 5.177 2.940 ( 3.556 -4.416 0.786) 5.724 2.969 ( 0.816 -6.459 -1.868) 6.773 2.976 ( -0.738 -2.246 -0.710) 2.469 3.047 ( 3.060 0.987 2.818) 4.275 3.074 ( 1.824 -6.525 2.903) 7.371 3.113 ( -0.800 -0.153 0.379) 0.898 3.164 ( -1.334 -1.831 -0.148) 2.270 3.203 ( -0.272 -0.124 -1.250) 1.285 3.239 ( 1.859 -2.604 2.036) 3.792 3.254 ( 0.082 -3.000 -1.056) 3.182 3.321 ( 1.381 -1.866 2.307) 3.273 3.389 ( -1.299 -2.122 -2.916) 3.833 3.447 ( -0.348 -4.010 0.125) 4.027 3.471 ( 1.691 1.172 -3.633) 4.176 3.520 ( -1.930 1.430 -1.973) 3.108 3.563 ( 0.921 2.289 0.478) 2.513 3.578 ( -2.029 0.754 1.388) 2.571 3.589 ( 0.872 1.401 -2.766) 3.221 3.637 ( -0.001 0.478 0.542) 0.723 3.680 ( 0.119 -1.569 0.295) 1.601 3.733 ( 0.336 -1.386 -0.517) 1.517 3.768 ( -0.092 1.537 0.796) 1.733 3.800 ( 0.716 1.020 0.770) 1.465 3.810 ( 0.503 2.395 -1.060) 2.667 3.835 ( -2.692 -1.268 0.714) 3.060 3.924 ( 0.017 0.617 -0.658) 0.903 3.950 ( -1.365 6.091 -1.076) 6.335 4.043 ( 0.183 3.345 0.365) 3.370 4.082 ( -1.623 2.720 -2.087) 3.793 4.163 ( -1.664 3.564 0.515) 3.967 4.247 ( 0.172 -1.277 0.128) 1.295 4.332 ( 0.980 -1.568 0.248) 1.866 4.350 ( 3.926 -0.668 5.612) 6.882 4.404 ( -1.203 1.433 -1.575) 2.446 4.529 ( -0.042 0.513 0.086) 0.522 4.558 ( -1.480 0.585 1.924) 2.497 4.583 ( -1.075 2.798 -0.482) 3.036 4.624 ( -0.720 1.826 -1.145) 2.272 4.644 ( -3.423 0.322 -4.162) 5.399 4.763 ( 2.072 -2.751 -1.452) 3.738 4.810 ( -3.563 -1.347 0.668) 3.867 4.829 ( 0.921 -1.906 -2.163) 3.026 4.882 ( 0.187 -0.860 1.845) 2.044 4.922 ( 1.881 -1.974 1.747) 3.238 4.939 ( -1.533 0.156 -0.951) 1.811 4.999 ( -0.114 1.835 0.478) 1.900 5.049 ( -3.566 0.322 -2.211) 4.208 5.086 ( -0.053 0.336 1.989) 2.018 5.207 ( 0.903 2.403 -1.269) 2.864 5.296 ( 1.097 2.229 2.209) 3.324 5.329 ( -0.603 -2.567 1.573) 3.070 5.370 ( -3.098 -1.953 2.488) 4.428 5.438 ( 1.369 -0.087 0.602) 1.498 5.456 ( -0.190 1.379 -2.826) 3.151 5.505 ( -1.663 0.806 -2.101) 2.798 5.590 ( -0.710 1.227 -0.877) 1.667 5.698 ( -1.558 0.500 -0.905) 1.869 5.790 ( 1.188 2.212 0.339) 2.534 5.810 ( -0.136 -0.914 -0.285) 0.967 5.842 ( 0.582 -0.790 0.517) 1.109 5.872 ( 1.062 -0.024 -0.059) 1.064 5.881 ( -0.935 0.462 1.906) 2.173 5.939 ( 0.027 -0.686 -1.421) 1.578 5.963 ( 0.545 0.634 1.106) 1.386 6.024 ( -1.235 0.772 -1.198) 1.886 6.060 ( 1.967 -0.304 2.207) 2.972 6.095 ( 0.407 0.132 -1.299) 1.368 6.118 ( 1.598 1.553 -0.667) 2.326 6.194 ( 0.173 0.370 0.860) 0.952 6.219 ( -0.268 1.908 0.469) 1.983 6.358 ( 1.549 -2.216 1.789) 3.242 6.421 ( -0.367 -2.327 -1.417) 2.749 6.514 ( -0.731 2.516 -0.726) 2.718 6.541 ( -2.150 0.151 -0.414) 2.195 6.979 ( 0.775 1.793 0.331) 1.981 7.127 ( 0.041 4.926 -1.255) 5.083 7.157 ( 0.232 -3.483 0.405) 3.514 7.275 ( 0.756 1.889 0.077) 2.036 7.291 ( 1.116 -1.448 0.003) 1.828 7.428 ( 1.321 -0.649 0.861) 1.705 7.596 ( 2.344 -2.397 0.709) 3.427 7.611 ( 1.388 -2.559 -0.445) 2.946 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 19.453 0.000) 19.453 0.917 ( 0.000 21.337 0.000) 21.337 1.190 ( 0.000 22.133 0.000) 22.133 1.327 ( 0.000 5.366 0.000) 5.366 1.440 ( 0.000 0.078 0.000) 0.078 1.635 ( 0.000 -7.340 0.000) 7.340 1.648 ( 0.000 -7.546 0.000) 7.546 1.690 ( 0.000 1.103 0.000) 1.103 1.794 ( 0.000 -5.842 0.000) 5.842 1.842 ( 0.000 0.264 0.000) 0.264 1.899 ( 0.000 -0.874 0.000) 0.874 1.984 ( 0.000 -5.736 0.000) 5.736 2.120 ( 0.000 -5.798 0.000) 5.798 2.209 ( 0.000 -2.598 0.000) 2.598 2.299 ( 0.000 -0.629 0.000) 0.629 2.327 ( 0.000 -5.158 0.000) 5.158 2.384 ( 0.000 -1.826 0.000) 1.826 2.390 ( 0.000 5.240 0.000) 5.240 2.421 ( 0.000 2.140 0.000) 2.140 2.482 ( 0.000 -0.185 0.000) 0.185 2.507 ( 0.000 -7.692 0.000) 7.692 2.572 ( 0.000 0.337 0.000) 0.337 2.629 ( 0.000 -3.295 0.000) 3.295 2.719 ( 0.000 -2.309 0.000) 2.309 2.727 ( 0.000 0.839 0.000) 0.839 2.807 ( 0.000 -5.635 0.000) 5.635 2.823 ( 0.000 -3.984 0.000) 3.984 2.827 ( 0.000 -3.326 0.000) 3.326 2.914 ( 0.000 -6.332 0.000) 6.332 2.982 ( 0.000 0.375 0.000) 0.375 3.000 ( 0.000 -1.574 0.000) 1.574 3.078 ( 0.000 -3.168 0.000) 3.168 3.093 ( 0.000 1.462 0.000) 1.462 3.124 ( 0.000 -1.721 0.000) 1.721 3.146 ( 0.000 2.140 0.000) 2.140 3.211 ( 0.000 -1.478 0.000) 1.478 3.283 ( 0.000 0.438 0.000) 0.438 3.343 ( 0.000 -2.356 0.000) 2.356 3.457 ( 0.000 -2.913 0.000) 2.913 3.464 ( 0.000 0.301 0.000) 0.301 3.478 ( 0.000 1.625 0.000) 1.625 3.487 ( 0.000 -0.438 0.000) 0.438 3.529 ( 0.000 -3.239 0.000) 3.239 3.613 ( 0.000 -2.345 0.000) 2.345 3.634 ( 0.000 -0.696 0.000) 0.696 3.657 ( 0.000 -2.013 0.000) 2.013 3.745 ( 0.000 0.733 0.000) 0.733 3.783 ( 0.000 -1.355 0.000) 1.355 3.832 ( 0.000 2.742 0.000) 2.742 3.858 ( 0.000 0.436 0.000) 0.436 3.900 ( 0.000 2.751 0.000) 2.751 3.913 ( 0.000 4.349 0.000) 4.349 4.002 ( 0.000 3.936 0.000) 3.936 4.136 ( 0.000 0.047 0.000) 0.047 4.180 ( 0.000 1.759 0.000) 1.759 4.287 ( 0.000 -3.533 0.000) 3.533 4.298 ( 0.000 2.733 0.000) 2.733 4.329 ( 0.000 3.252 0.000) 3.252 4.360 ( 0.000 -1.815 0.000) 1.815 4.361 ( 0.000 0.962 0.000) 0.962 4.521 ( 0.000 2.154 0.000) 2.154 4.560 ( 0.000 1.177 0.000) 1.177 4.590 ( 0.000 -3.502 0.000) 3.502 4.618 ( 0.000 1.818 0.000) 1.818 4.723 ( 0.000 -3.140 0.000) 3.140 4.772 ( 0.000 -0.531 0.000) 0.531 4.834 ( 0.000 -1.393 0.000) 1.393 4.873 ( 0.000 0.845 0.000) 0.845 4.894 ( 0.000 2.476 0.000) 2.476 4.961 ( 0.000 -0.258 0.000) 0.258 5.023 ( 0.000 1.459 0.000) 1.459 5.140 ( 0.000 -4.302 0.000) 4.302 5.191 ( 0.000 1.816 0.000) 1.816 5.238 ( 0.000 2.190 0.000) 2.190 5.340 ( 0.000 -0.158 0.000) 0.158 5.348 ( 0.000 -2.434 0.000) 2.434 5.368 ( 0.000 -1.817 0.000) 1.817 5.428 ( 0.000 -0.610 0.000) 0.610 5.462 ( 0.000 1.296 0.000) 1.296 5.487 ( 0.000 3.531 0.000) 3.531 5.546 ( 0.000 2.949 0.000) 2.949 5.634 ( 0.000 0.912 0.000) 0.912 5.701 ( 0.000 0.118 0.000) 0.118 5.740 ( 0.000 0.903 0.000) 0.903 5.741 ( 0.000 -0.706 0.000) 0.706 5.810 ( 0.000 -2.912 0.000) 2.912 5.828 ( 0.000 -1.802 0.000) 1.802 5.856 ( 0.000 1.879 0.000) 1.879 5.894 ( 0.000 1.821 0.000) 1.821 5.906 ( 0.000 -0.762 0.000) 0.762 5.987 ( 0.000 -0.178 0.000) 0.178 6.042 ( 0.000 0.858 0.000) 0.858 6.047 ( 0.000 1.775 0.000) 1.775 6.127 ( 0.000 -1.404 0.000) 1.404 6.166 ( 0.000 0.173 0.000) 0.173 6.181 ( 0.000 2.191 0.000) 2.191 6.261 ( 0.000 3.300 0.000) 3.300 6.394 ( 0.000 -2.055 0.000) 2.055 6.776 ( 0.000 3.894 0.000) 3.894 6.781 ( 0.000 5.198 0.000) 5.198 7.013 ( 0.000 1.631 0.000) 1.631 7.044 ( 0.000 0.417 0.000) 0.417 7.122 ( 0.000 -0.171 0.000) 0.171 7.161 ( 0.000 -0.687 0.000) 0.687 7.296 ( 0.000 0.673 0.000) 0.673 7.316 ( 0.000 1.076 0.000) 1.076 7.374 ( 0.000 4.493 0.000) 4.493 7.509 ( 0.000 0.240 0.000) 0.240 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 6.167 18.225 1.258) 19.281 0.935 ( 5.162 18.481 3.180) 19.450 1.263 ( 2.278 3.048 -7.552) 8.456 1.447 ( 13.402 17.028 9.826) 23.793 1.482 ( 7.571 1.670 -2.855) 8.262 1.619 ( -1.048 -4.011 0.024) 4.146 1.717 ( 3.223 -6.260 2.033) 7.329 1.765 ( -0.052 2.784 -3.335) 4.344 1.770 ( -0.672 0.410 0.717) 1.065 1.842 ( -0.183 -5.617 4.817) 7.402 1.867 ( 3.791 -2.967 -0.670) 4.860 1.972 ( -1.980 -3.601 1.823) 4.495 2.126 ( 1.209 -3.118 -1.998) 3.896 2.187 ( -9.933 0.750 0.747) 9.990 2.255 ( -4.029 -6.376 -3.592) 8.354 2.271 ( 0.636 -1.854 0.913) 2.162 2.351 ( -3.457 -0.240 2.077) 4.040 2.361 ( -4.286 2.657 -2.234) 5.516 2.422 ( 1.914 0.084 0.220) 1.928 2.469 ( 3.321 -3.105 3.455) 5.710 2.546 ( -2.044 1.078 -0.749) 2.429 2.571 ( -0.061 -4.923 0.234) 4.929 2.648 ( 0.795 -4.141 1.528) 4.485 2.692 ( -2.231 -4.057 -0.188) 4.633 2.744 ( -1.557 -3.516 0.639) 3.898 2.772 ( -3.321 -6.081 1.262) 7.042 2.792 ( 2.103 -2.671 -4.385) 5.549 2.807 ( 1.080 -1.293 2.424) 2.952 2.949 ( 0.964 -2.559 0.253) 2.746 3.018 ( 3.308 0.263 -0.034) 3.319 3.043 ( 0.646 -2.119 -1.793) 2.850 3.081 ( 0.207 -1.295 0.091) 1.315 3.091 ( 2.599 -0.420 -0.909) 2.785 3.128 ( 0.602 -1.780 2.104) 2.821 3.195 ( 0.712 0.764 -2.972) 3.150 3.232 ( 4.864 -1.948 -1.157) 5.365 3.289 ( -0.958 -0.579 -2.980) 3.184 3.317 ( 1.783 -0.415 -1.464) 2.344 3.412 ( -0.468 -1.913 -1.980) 2.793 3.446 ( -3.292 -1.043 2.921) 4.523 3.496 ( 2.358 -1.404 -0.388) 2.772 3.520 ( 2.644 -0.512 -1.868) 3.278 3.548 ( 2.326 -1.549 1.330) 3.095 3.592 ( -0.881 -2.233 -1.829) 3.019 3.647 ( 0.528 -1.259 1.975) 2.401 3.696 ( 2.240 -2.526 0.103) 3.377 3.735 ( 0.276 1.267 -1.102) 1.702 3.770 ( -1.312 0.804 -1.802) 2.370 3.813 ( -0.667 0.385 1.693) 1.860 3.853 ( -1.154 1.763 -0.969) 2.319 3.882 ( -1.153 2.658 0.381) 2.922 3.926 ( -0.132 1.780 1.671) 2.445 4.026 ( 1.623 4.526 2.335) 5.345 4.140 ( -0.688 -0.237 1.186) 1.391 4.179 ( 0.347 2.958 0.166) 2.983 4.243 ( -1.270 0.512 -4.649) 4.847 4.294 ( 0.257 0.103 -2.444) 2.460 4.311 ( -2.353 0.079 -1.115) 2.605 4.353 ( -2.106 4.265 2.461) 5.356 4.406 ( 3.345 -2.820 1.840) 4.746 4.527 ( -1.330 -1.819 -1.270) 2.587 4.562 ( 0.604 1.654 1.327) 2.205 4.592 ( 1.494 0.881 2.020) 2.663 4.648 ( 0.079 -1.696 2.301) 2.859 4.703 ( -1.196 -0.565 1.610) 2.084 4.764 ( -0.887 0.189 -0.184) 0.925 4.814 ( -3.074 -1.454 -1.246) 3.621 4.867 ( 0.988 2.735 -0.068) 2.909 4.887 ( -0.823 1.200 0.023) 1.456 4.978 ( -1.624 -0.867 1.873) 2.627 5.023 ( -1.192 1.137 0.075) 1.649 5.114 ( -0.593 -1.335 -3.321) 3.628 5.142 ( -0.309 0.546 -3.898) 3.949 5.236 ( -5.509 0.268 -3.223) 6.388 5.255 ( -3.231 -0.233 3.427) 4.716 5.298 ( -2.661 0.240 0.015) 2.672 5.354 ( -2.502 -1.411 -0.397) 2.900 5.436 ( -2.018 1.827 0.100) 2.724 5.441 ( -1.358 0.327 2.784) 3.115 5.534 ( 0.011 -1.277 3.073) 3.328 5.545 ( 0.773 2.238 -1.505) 2.805 5.671 ( 1.443 -0.085 0.537) 1.542 5.695 ( 1.538 0.926 -1.760) 2.514 5.729 ( -0.515 -0.496 -0.866) 1.123 5.780 ( 2.499 0.564 -0.391) 2.591 5.784 ( 0.651 0.663 2.001) 2.206 5.826 ( -0.121 1.070 0.893) 1.399 5.883 ( 1.537 -0.847 -1.255) 2.157 5.912 ( 1.770 -0.783 1.962) 2.757 5.931 ( -0.183 0.311 1.896) 1.930 5.994 ( 0.306 -1.420 -2.039) 2.503 6.026 ( 0.084 1.469 0.616) 1.595 6.067 ( 1.543 0.285 -1.046) 1.886 6.130 ( 1.516 -0.878 -0.558) 1.839 6.162 ( 1.260 0.929 -0.820) 1.767 6.193 ( -0.234 1.533 1.101) 1.902 6.264 ( 0.118 3.191 1.115) 3.382 6.393 ( -0.404 -2.062 0.288) 2.120 6.700 ( -5.273 4.062 -0.306) 6.663 6.767 ( -3.788 2.704 -1.259) 4.821 6.985 ( -0.247 2.774 -0.038) 2.785 7.078 ( 0.757 -1.132 0.954) 1.663 7.158 ( 3.464 1.088 0.582) 3.677 7.197 ( 4.407 -0.068 -1.659) 4.709 7.304 ( 1.002 0.915 -0.024) 1.357 7.356 ( -1.137 3.361 0.124) 3.550 7.367 ( 3.620 0.334 1.757) 4.038 7.521 ( 2.115 -0.620 -1.648) 2.752 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 9.775 10.585 6.459) 15.789 1.126 ( 11.155 11.075 2.812) 15.968 1.269 ( 7.144 7.111 -4.265) 10.946 1.555 ( 2.913 1.743 -3.083) 4.586 1.581 ( -0.986 5.686 -4.800) 7.506 1.653 ( -5.970 1.278 -0.238) 6.110 1.715 ( -1.634 -1.230 2.450) 3.191 1.785 ( 9.542 -1.488 4.447) 10.632 1.806 ( 3.015 -0.140 -2.085) 3.668 1.907 ( -0.036 0.601 0.785) 0.989 1.970 ( 3.174 -0.326 2.037) 3.785 2.012 ( 2.532 -1.468 4.121) 5.055 2.089 ( -3.231 0.191 2.784) 4.269 2.097 ( 1.009 -3.845 -0.693) 4.035 2.165 ( -0.860 -1.674 -0.492) 1.945 2.224 ( -1.485 0.561 -0.998) 1.875 2.259 ( -4.025 -2.811 -0.071) 4.910 2.419 ( 1.965 2.560 1.315) 3.485 2.446 ( 0.050 2.092 1.464) 2.554 2.480 ( -3.117 -2.450 1.815) 4.360 2.528 ( -0.132 -3.941 -1.181) 4.116 2.548 ( -1.923 -7.036 1.597) 7.467 2.641 ( -1.836 -5.647 -0.108) 5.939 2.699 ( 1.281 -7.281 1.429) 7.530 2.735 ( -0.272 -7.598 3.061) 8.196 2.788 ( 4.848 -2.062 -3.254) 6.192 2.816 ( 1.365 -4.041 1.210) 4.433 2.839 ( 0.470 -0.366 1.990) 2.078 2.949 ( -2.850 0.631 -3.518) 4.571 2.995 ( 1.589 -1.204 0.873) 2.177 3.023 ( -4.997 -0.284 -5.539) 7.465 3.081 ( -1.520 -1.699 2.532) 3.407 3.109 ( 2.585 -1.154 -0.915) 2.975 3.150 ( 3.435 1.001 -1.437) 3.856 3.189 ( 1.698 -3.334 -0.207) 3.747 3.248 ( 0.253 0.125 2.551) 2.567 3.280 ( -1.562 -0.451 -4.055) 4.369 3.350 ( 5.923 -3.713 -4.780) 8.469 3.419 ( 2.196 -1.443 -1.689) 3.123 3.438 ( -0.419 -2.771 1.994) 3.439 3.525 ( 1.119 -0.692 -0.532) 1.419 3.559 ( 0.421 -1.943 -1.266) 2.357 3.565 ( 3.378 -0.948 0.401) 3.532 3.602 ( 1.761 0.024 -0.172) 1.770 3.668 ( -1.739 -0.456 0.887) 2.005 3.715 ( 1.445 0.321 -1.130) 1.862 3.726 ( -0.953 1.610 0.025) 1.871 3.754 ( 1.419 0.647 -0.005) 1.560 3.815 ( -0.840 1.870 -1.115) 2.334 3.828 ( -1.993 -1.469 2.338) 3.405 3.858 ( -1.382 2.737 1.021) 3.232 3.957 ( 0.942 0.997 2.030) 2.450 4.087 ( 1.326 3.556 1.949) 4.267 4.130 ( -1.305 2.688 -0.456) 3.023 4.178 ( -1.293 1.317 -2.333) 2.975 4.198 ( 1.025 2.187 0.937) 2.591 4.222 ( -2.306 1.563 -3.974) 4.853 4.294 ( 0.860 -1.524 -1.753) 2.477 4.315 ( -2.437 2.980 1.911) 4.298 4.460 ( -0.398 -0.703 0.545) 0.974 4.499 ( -0.820 -1.583 0.725) 1.925 4.598 ( -0.725 1.970 2.324) 3.132 4.634 ( -1.098 -2.168 0.373) 2.458 4.648 ( 2.039 0.261 2.739) 3.424 4.724 ( -1.342 -2.230 -0.774) 2.715 4.740 ( -0.416 1.575 -2.267) 2.792 4.778 ( 0.911 -0.725 1.161) 1.644 4.833 ( -2.517 -0.512 -1.946) 3.223 4.878 ( -2.034 2.085 -0.389) 2.938 4.927 ( -3.185 1.784 0.058) 3.651 4.993 ( -1.371 -0.101 0.955) 1.674 5.033 ( -2.316 1.720 -3.619) 4.628 5.111 ( -3.066 -0.038 -0.976) 3.218 5.135 ( -2.026 -0.222 -2.542) 3.258 5.221 ( -1.207 -1.714 -0.539) 2.165 5.297 ( -1.463 0.053 2.343) 2.763 5.304 ( -1.802 -2.621 1.586) 3.555 5.379 ( -3.260 1.786 -0.155) 3.720 5.457 ( -1.812 1.363 3.471) 4.146 5.526 ( 0.597 0.990 -3.085) 3.295 5.540 ( -1.163 -0.148 0.854) 1.451 5.637 ( -2.032 -0.402 -2.363) 3.143 5.715 ( 0.064 -0.389 -0.140) 0.418 5.748 ( 2.822 0.682 1.193) 3.139 5.780 ( -0.212 -0.269 1.422) 1.463 5.852 ( 1.285 -0.767 -0.277) 1.522 5.869 ( -1.108 0.279 1.549) 1.925 5.904 ( -0.999 1.798 -0.571) 2.135 5.911 ( 3.736 -0.023 1.253) 3.941 5.957 ( -0.236 0.241 -0.759) 0.830 5.986 ( 2.051 0.073 3.321) 3.904 6.061 ( 1.506 -0.353 -0.041) 1.548 6.090 ( 2.268 0.702 -1.289) 2.701 6.122 ( 0.466 0.060 -2.587) 2.630 6.197 ( 0.134 1.237 0.572) 1.369 6.218 ( 3.550 -0.297 1.364) 3.814 6.279 ( -0.268 1.254 0.876) 1.553 6.393 ( -0.063 -1.558 0.661) 1.694 6.607 ( -4.256 2.684 -0.897) 5.110 6.655 ( -5.744 1.659 -2.194) 6.369 6.999 ( 1.184 2.530 0.243) 2.804 7.093 ( 0.150 -1.999 0.571) 2.085 7.218 ( 2.460 3.203 -0.134) 4.041 7.253 ( 3.476 1.032 -1.117) 3.794 7.309 ( -0.198 3.517 -0.309) 3.536 7.364 ( 1.590 -0.243 1.510) 2.206 7.464 ( 4.372 -2.677 1.731) 5.411 7.540 ( 2.083 -2.300 -1.845) 3.610 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( 7.444 2.738 4.208) 8.979 1.327 ( 9.552 6.725 0.810) 11.709 1.397 ( 5.385 6.704 1.120) 8.672 1.496 ( -5.800 6.049 -3.154) 8.954 1.537 ( 3.425 7.431 -4.062) 9.135 1.561 ( -4.455 5.046 2.342) 7.126 1.672 ( -3.237 -2.720 0.923) 4.327 1.766 ( -1.207 -1.139 -2.972) 3.404 1.811 ( -7.294 0.542 -2.022) 7.589 1.938 ( 3.553 -4.582 1.748) 6.056 2.001 ( -0.814 1.635 -2.231) 2.883 2.093 ( 5.112 -1.508 1.226) 5.469 2.118 ( 4.964 -0.046 0.077) 4.965 2.157 ( -0.788 -2.925 1.772) 3.510 2.184 ( -4.274 2.119 5.388) 7.196 2.256 ( 6.704 -2.594 2.462) 7.598 2.281 ( 2.574 0.774 1.824) 3.248 2.371 ( -3.890 -3.969 0.941) 5.636 2.417 ( -1.604 -4.906 -2.808) 5.876 2.457 ( -3.987 -5.609 -1.516) 7.046 2.506 ( -1.060 -1.424 -1.051) 2.063 2.595 ( 5.768 1.707 1.027) 6.102 2.669 ( 1.366 -3.001 2.210) 3.970 2.708 ( -1.706 -4.368 1.100) 4.817 2.722 ( -1.703 -4.496 0.819) 4.877 2.783 ( -2.846 -0.357 -6.720) 7.307 2.833 ( 1.772 -4.084 -0.134) 4.454 2.876 ( 1.612 -3.610 0.322) 3.966 2.928 ( 2.153 -5.898 4.339) 7.632 2.939 ( -1.248 -2.825 0.025) 3.089 3.031 ( 1.120 -4.621 1.090) 4.878 3.078 ( -0.751 -1.874 -0.754) 2.156 3.146 ( 0.049 -1.391 1.557) 2.088 3.170 ( 1.293 -2.510 -0.970) 2.985 3.187 ( -0.411 -2.866 -4.028) 4.960 3.259 ( 2.230 3.146 0.904) 3.961 3.294 ( 2.336 -0.977 1.639) 3.016 3.334 ( -1.378 -2.302 -3.336) 4.281 3.391 ( -2.777 -1.615 0.427) 3.240 3.504 ( 4.808 0.688 -0.603) 4.895 3.529 ( 0.490 -1.006 -0.869) 1.417 3.571 ( -0.007 0.541 -0.440) 0.697 3.605 ( 0.902 0.409 -0.782) 1.262 3.606 ( -1.188 1.376 -0.451) 1.873 3.633 ( -1.278 -0.491 0.638) 1.511 3.696 ( -0.928 1.187 -0.068) 1.508 3.728 ( 0.547 1.825 -0.119) 1.909 3.781 ( 1.736 -0.216 -1.136) 2.086 3.801 ( -2.478 -0.541 2.377) 3.476 3.833 ( 1.539 0.760 1.458) 2.252 3.863 ( 0.234 2.984 0.175) 2.998 3.964 ( -1.795 2.787 -0.246) 3.324 4.071 ( -1.685 5.848 -1.676) 6.312 4.101 ( -0.429 2.727 0.639) 2.833 4.147 ( 0.077 3.699 -1.794) 4.112 4.188 ( 2.259 -1.129 -2.340) 3.443 4.212 ( -2.622 -0.703 2.702) 3.831 4.301 ( 1.366 -1.585 -0.999) 2.319 4.366 ( 2.783 1.264 4.150) 5.154 4.424 ( -2.060 0.430 -0.916) 2.295 4.506 ( 0.549 -1.666 2.003) 2.662 4.566 ( -3.394 -0.721 -0.383) 3.490 4.629 ( -0.242 1.694 -2.380) 2.932 4.656 ( -2.317 1.524 -0.488) 2.816 4.697 ( 0.312 2.479 -1.204) 2.773 4.723 ( 2.810 0.076 -0.656) 2.886 4.787 ( -2.426 -2.773 -0.269) 3.694 4.797 ( -2.655 -1.602 -0.561) 3.151 4.831 ( 1.977 -2.192 1.446) 3.287 4.883 ( -1.609 0.180 -1.434) 2.163 4.979 ( -0.342 1.760 1.495) 2.335 5.043 ( -1.024 2.959 -1.360) 3.413 5.061 ( -2.236 0.865 0.944) 2.577 5.065 ( 0.792 -1.579 -0.377) 1.806 5.203 ( -0.387 -2.654 -0.968) 2.851 5.283 ( 0.059 -2.114 -0.308) 2.137 5.301 ( -2.355 -3.224 2.061) 4.493 5.344 ( -0.628 0.462 -0.258) 0.821 5.462 ( -0.436 2.325 1.434) 2.767 5.508 ( 0.942 2.835 -1.711) 3.442 5.524 ( -1.295 1.485 -0.101) 1.973 5.610 ( 0.191 0.434 0.300) 0.562 5.712 ( -0.282 0.581 -0.390) 0.755 5.776 ( 0.015 -1.111 0.027) 1.111 5.790 ( -0.225 -1.416 -0.288) 1.462 5.837 ( 0.013 -0.389 0.301) 0.492 5.879 ( -0.048 0.454 0.448) 0.640 5.910 ( -0.279 1.182 2.653) 2.918 5.925 ( 0.584 0.055 -1.778) 1.872 5.984 ( 0.245 1.277 1.967) 2.358 6.035 ( -1.084 0.286 -1.490) 1.864 6.048 ( 0.968 -0.679 0.147) 1.192 6.106 ( 0.660 0.823 -1.212) 1.607 6.150 ( 4.248 1.303 -0.013) 4.444 6.205 ( -0.993 0.979 0.758) 1.587 6.263 ( -1.204 2.317 0.285) 2.626 6.304 ( 3.492 -2.758 2.214) 4.970 6.380 ( -1.726 -1.929 -1.735) 3.116 6.549 ( -1.309 1.211 -1.140) 2.117 6.564 ( -2.351 1.883 -0.051) 3.012 7.017 ( 0.578 1.766 0.003) 1.858 7.097 ( -0.062 -2.552 0.245) 2.565 7.237 ( 0.572 5.983 -0.493) 6.030 7.288 ( 1.515 1.747 -0.608) 2.391 7.309 ( -0.181 1.922 0.632) 2.031 7.407 ( 1.184 -1.351 0.752) 1.947 7.533 ( 1.784 -4.052 0.655) 4.476 7.551 ( 0.820 -3.549 -0.758) 3.721 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 0.000 15.162 0.000) 15.162 1.261 ( 0.000 12.760 0.000) 12.760 1.290 ( 0.000 0.410 0.000) 0.410 1.421 ( 0.000 -9.480 0.000) 9.480 1.469 ( 0.000 1.609 0.000) 1.609 1.550 ( 0.000 0.949 0.000) 0.949 1.574 ( 0.000 -4.452 0.000) 4.452 1.650 ( 0.000 -5.444 0.000) 5.444 1.756 ( 0.000 5.421 0.000) 5.421 1.782 ( 0.000 -1.589 0.000) 1.589 1.913 ( 0.000 1.597 0.000) 1.597 1.964 ( 0.000 2.566 0.000) 2.566 2.064 ( 0.000 0.576 0.000) 0.576 2.129 ( 0.000 -5.809 0.000) 5.809 2.240 ( 0.000 -2.464 0.000) 2.464 2.265 ( 0.000 -3.257 0.000) 3.257 2.356 ( 0.000 -0.066 0.000) 0.066 2.397 ( 0.000 -2.340 0.000) 2.340 2.440 ( 0.000 0.270 0.000) 0.270 2.459 ( 0.000 -1.663 0.000) 1.663 2.554 ( 0.000 7.612 0.000) 7.612 2.604 ( 0.000 0.531 0.000) 0.531 2.631 ( 0.000 1.334 0.000) 1.334 2.665 ( 0.000 2.279 0.000) 2.279 2.705 ( 0.000 -5.424 0.000) 5.424 2.753 ( 0.000 1.398 0.000) 1.398 2.762 ( 0.000 -5.258 0.000) 5.258 2.784 ( 0.000 -2.341 0.000) 2.341 2.795 ( 0.000 0.057 0.000) 0.057 2.886 ( 0.000 -8.266 0.000) 8.266 3.008 ( 0.000 2.113 0.000) 2.113 3.065 ( 0.000 -3.559 0.000) 3.559 3.101 ( 0.000 3.434 0.000) 3.434 3.126 ( 0.000 2.297 0.000) 2.297 3.164 ( 0.000 -1.830 0.000) 1.830 3.175 ( 0.000 -2.428 0.000) 2.428 3.313 ( 0.000 0.415 0.000) 0.415 3.316 ( 0.000 1.410 0.000) 1.410 3.422 ( 0.000 -0.666 0.000) 0.666 3.436 ( 0.000 -2.089 0.000) 2.089 3.466 ( 0.000 -1.421 0.000) 1.421 3.472 ( 0.000 -1.538 0.000) 1.538 3.529 ( 0.000 1.852 0.000) 1.852 3.561 ( 0.000 -1.941 0.000) 1.941 3.622 ( 0.000 -0.378 0.000) 0.378 3.625 ( 0.000 -0.894 0.000) 0.894 3.763 ( 0.000 0.528 0.000) 0.528 3.765 ( 0.000 -0.237 0.000) 0.237 3.856 ( 0.000 -0.142 0.000) 0.142 3.856 ( 0.000 0.179 0.000) 0.179 3.952 ( 0.000 2.238 0.000) 2.238 3.968 ( 0.000 0.959 0.000) 0.959 4.077 ( 0.000 3.797 0.000) 3.797 4.133 ( 0.000 -1.297 0.000) 1.297 4.200 ( 0.000 0.445 0.000) 0.445 4.219 ( 0.000 -2.446 0.000) 2.446 4.335 ( 0.000 -0.034 0.000) 0.034 4.345 ( 0.000 -0.250 0.000) 0.250 4.377 ( 0.000 3.724 0.000) 3.724 4.419 ( 0.000 3.321 0.000) 3.321 4.506 ( 0.000 -3.697 0.000) 3.697 4.526 ( 0.000 -1.984 0.000) 1.984 4.591 ( 0.000 2.037 0.000) 2.037 4.634 ( 0.000 -1.953 0.000) 1.953 4.695 ( 0.000 2.028 0.000) 2.028 4.747 ( 0.000 -2.514 0.000) 2.514 4.816 ( 0.000 1.412 0.000) 1.412 4.866 ( 0.000 -2.524 0.000) 2.524 4.965 ( 0.000 3.351 0.000) 3.351 4.972 ( 0.000 2.470 0.000) 2.470 5.024 ( 0.000 -0.972 0.000) 0.972 5.059 ( 0.000 -4.221 0.000) 4.221 5.245 ( 0.000 3.288 0.000) 3.288 5.289 ( 0.000 0.814 0.000) 0.814 5.322 ( 0.000 -0.326 0.000) 0.326 5.326 ( 0.000 -1.342 0.000) 1.342 5.345 ( 0.000 1.234 0.000) 1.234 5.395 ( 0.000 -2.666 0.000) 2.666 5.485 ( 0.000 0.799 0.000) 0.799 5.499 ( 0.000 -0.788 0.000) 0.788 5.624 ( 0.000 3.701 0.000) 3.701 5.653 ( 0.000 0.536 0.000) 0.536 5.696 ( 0.000 0.474 0.000) 0.474 5.722 ( 0.000 -1.495 0.000) 1.495 5.751 ( 0.000 -0.366 0.000) 0.366 5.758 ( 0.000 -1.808 0.000) 1.808 5.829 ( 0.000 1.763 0.000) 1.763 5.871 ( 0.000 -2.212 0.000) 2.212 5.891 ( 0.000 1.605 0.000) 1.605 5.915 ( 0.000 -0.621 0.000) 0.621 5.999 ( 0.000 2.138 0.000) 2.138 6.045 ( 0.000 -1.868 0.000) 1.868 6.070 ( 0.000 1.558 0.000) 1.558 6.097 ( 0.000 -1.402 0.000) 1.402 6.181 ( 0.000 1.193 0.000) 1.193 6.199 ( 0.000 -0.306 0.000) 0.306 6.324 ( 0.000 2.854 0.000) 2.854 6.363 ( 0.000 -1.457 0.000) 1.457 6.844 ( 0.000 2.611 0.000) 2.611 6.853 ( 0.000 1.882 0.000) 1.882 7.032 ( 0.000 0.470 0.000) 0.470 7.041 ( 0.000 -0.547 0.000) 0.547 7.129 ( 0.000 0.815 0.000) 0.815 7.146 ( 0.000 -0.872 0.000) 0.872 7.314 ( 0.000 0.999 0.000) 0.999 7.326 ( 0.000 -0.094 0.000) 0.094 7.455 ( 0.000 3.549 0.000) 3.549 7.502 ( 0.000 -1.308 0.000) 1.308 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 4.775 14.349 0.645) 15.136 1.254 ( 3.508 13.314 -2.583) 14.009 1.372 ( 4.477 3.288 2.031) 5.914 1.433 ( 4.254 -3.985 -3.242) 6.670 1.478 ( 3.147 -6.327 -1.084) 7.149 1.601 ( 0.885 -6.311 2.927) 7.013 1.648 ( 4.985 1.801 6.061) 8.052 1.731 ( 5.207 -4.593 1.748) 7.160 1.776 ( 2.407 1.502 0.923) 2.983 1.830 ( 6.580 0.715 -1.318) 6.749 1.861 ( -2.982 2.569 -2.293) 4.555 1.889 ( -1.799 -3.138 -4.490) 5.765 2.093 ( -1.996 1.664 6.179) 6.703 2.162 ( -3.790 -3.778 4.630) 7.076 2.208 ( -3.851 0.687 -2.214) 4.495 2.237 ( 2.103 -2.214 -1.340) 3.334 2.356 ( -3.748 1.660 1.090) 4.242 2.386 ( -0.909 -1.189 2.371) 2.804 2.433 ( 0.137 -0.158 2.097) 2.107 2.456 ( -1.321 1.892 -4.071) 4.680 2.512 ( -0.195 -0.639 0.829) 1.065 2.573 ( -3.127 -3.254 -2.114) 4.983 2.595 ( -3.109 1.755 0.558) 3.614 2.619 ( -3.466 -3.047 -2.373) 5.189 2.674 ( -0.219 0.824 -0.370) 0.929 2.717 ( -4.118 -2.020 0.636) 4.631 2.772 ( 2.766 1.249 -1.055) 3.213 2.835 ( 3.143 3.516 3.568) 5.914 2.867 ( 1.930 -5.332 3.386) 6.604 2.953 ( 2.564 -6.391 3.193) 7.591 3.026 ( 2.120 -0.320 -0.955) 2.347 3.033 ( -1.707 -0.934 -0.652) 2.052 3.096 ( 0.832 1.311 -1.289) 2.018 3.140 ( 0.403 -2.583 -2.384) 3.538 3.182 ( 3.959 3.079 2.062) 5.423 3.239 ( 5.596 -0.731 -4.078) 6.963 3.281 ( -0.378 -0.695 -3.785) 3.867 3.289 ( 0.983 -1.002 -4.267) 4.492 3.395 ( -2.906 -0.093 -0.053) 2.908 3.412 ( -4.113 -1.764 1.420) 4.695 3.496 ( 2.313 0.930 -1.399) 2.859 3.509 ( 2.561 -0.683 -0.740) 2.752 3.523 ( 3.137 -0.621 -0.238) 3.207 3.541 ( -1.393 -2.333 0.365) 2.742 3.638 ( 1.338 0.323 1.695) 2.184 3.655 ( 1.679 -1.525 0.938) 2.455 3.755 ( 0.047 0.579 -0.808) 0.996 3.762 ( -0.042 -0.493 -0.418) 0.647 3.832 ( -1.479 1.085 -0.243) 1.851 3.854 ( 0.174 -1.139 -0.892) 1.457 3.935 ( -1.890 2.216 -0.082) 2.913 3.950 ( -1.922 0.584 0.495) 2.069 4.103 ( 1.883 3.246 1.427) 4.015 4.142 ( 0.761 -0.421 0.894) 1.247 4.216 ( 1.104 1.084 0.246) 1.566 4.250 ( 1.879 -2.636 -0.423) 3.265 4.289 ( -1.748 3.679 -3.188) 5.172 4.341 ( 0.200 -1.711 0.552) 1.809 4.346 ( -1.021 1.833 -1.082) 2.361 4.406 ( -1.940 -1.930 -2.811) 3.923 4.507 ( -0.383 1.570 2.708) 3.154 4.557 ( 0.606 -2.260 1.960) 3.053 4.612 ( 0.625 0.929 1.814) 2.132 4.624 ( -1.813 -0.503 1.847) 2.637 4.712 ( 1.846 1.151 -0.576) 2.250 4.740 ( -0.158 -1.879 -1.167) 2.217 4.830 ( -0.425 2.916 2.039) 3.584 4.890 ( 0.975 -1.069 1.346) 1.976 4.934 ( -3.121 0.298 0.155) 3.139 4.948 ( -2.605 0.949 0.463) 2.811 5.031 ( -0.657 0.133 0.186) 0.695 5.062 ( 1.385 -2.862 -0.587) 3.233 5.180 ( -3.463 2.586 -3.175) 5.363 5.223 ( -5.129 -1.408 -2.882) 6.050 5.294 ( -2.992 0.707 -0.879) 3.197 5.312 ( -3.100 2.027 0.694) 3.768 5.328 ( -1.187 0.720 0.794) 1.599 5.406 ( -1.069 -3.686 2.078) 4.364 5.457 ( -1.751 0.886 0.673) 2.075 5.485 ( -1.524 -2.181 1.119) 2.886 5.616 ( -1.352 3.337 0.112) 3.603 5.660 ( -0.700 -1.244 0.207) 1.442 5.715 ( 1.083 1.107 0.182) 1.559 5.727 ( -0.157 -0.133 0.280) 0.348 5.786 ( 4.143 0.344 -1.740) 4.507 5.795 ( 4.855 -0.299 -1.403) 5.063 5.846 ( -0.454 0.983 3.490) 3.654 5.865 ( -0.702 -0.930 0.541) 1.285 5.906 ( 3.330 0.591 -0.063) 3.383 5.923 ( 1.409 -0.916 -0.748) 1.840 5.987 ( -1.082 0.693 -0.143) 1.293 6.015 ( -1.963 -1.787 -0.488) 2.699 6.091 ( 1.370 1.482 0.575) 2.098 6.113 ( 0.933 -0.944 -0.009) 1.328 6.185 ( 1.547 1.502 -0.991) 2.373 6.207 ( 0.877 -0.381 -0.226) 0.983 6.324 ( -0.747 2.636 1.223) 3.000 6.361 ( -0.863 -1.512 1.025) 2.020 6.770 ( -6.061 2.860 -0.721) 6.741 6.797 ( -5.537 0.128 -1.319) 5.693 7.029 ( 0.464 1.808 -0.075) 1.868 7.056 ( 0.579 -1.192 0.087) 1.328 7.179 ( 4.488 1.047 0.611) 4.649 7.194 ( 4.805 -0.424 -0.183) 4.827 7.324 ( 0.815 1.342 0.607) 1.683 7.349 ( 1.835 -1.139 0.952) 2.360 7.441 ( -0.818 3.901 -0.883) 4.083 7.498 ( 0.407 -1.994 -1.380) 2.459 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 4.464 12.317 2.440) 13.326 1.342 ( 8.096 10.744 -0.396) 13.458 1.440 ( 2.771 9.272 1.060) 9.735 1.510 ( 4.449 -5.902 0.922) 7.449 1.554 ( 4.162 -7.157 -0.903) 8.328 1.610 ( -0.176 -7.484 1.695) 7.676 1.744 ( -0.034 3.062 -1.647) 3.477 1.787 ( 1.470 -0.330 -4.221) 4.482 1.811 ( 3.886 6.429 -0.985) 7.577 1.884 ( 1.481 -3.155 2.224) 4.135 1.904 ( 5.080 -3.652 2.816) 6.861 1.946 ( 8.696 -5.461 -2.779) 10.638 2.084 ( -2.253 0.603 -0.672) 2.427 2.099 ( -0.789 -0.253 1.618) 1.817 2.189 ( -3.060 3.713 3.821) 6.144 2.218 ( -1.729 1.369 2.483) 3.321 2.314 ( -5.912 3.825 -1.024) 7.116 2.364 ( -3.698 -3.169 -0.251) 4.877 2.401 ( -0.821 -3.696 5.000) 6.272 2.450 ( -7.350 -5.424 -0.109) 9.135 2.485 ( 0.553 -0.929 -1.874) 2.164 2.503 ( -0.989 -1.748 1.535) 2.528 2.566 ( 1.698 -0.443 2.077) 2.719 2.609 ( 1.856 -4.581 1.917) 5.301 2.660 ( 0.893 4.989 0.141) 5.071 2.742 ( 4.592 -2.993 -0.950) 5.563 2.798 ( 0.029 2.148 -0.667) 2.249 2.848 ( -4.137 -0.378 2.690) 4.949 2.909 ( -1.324 -1.144 2.008) 2.664 2.959 ( -2.805 -2.892 0.591) 4.072 3.036 ( 0.181 -1.085 0.257) 1.130 3.046 ( 0.166 -0.484 -3.477) 3.514 3.115 ( 2.804 1.487 -2.172) 3.846 3.141 ( 4.061 -1.065 -2.033) 4.664 3.189 ( -0.775 1.948 -4.859) 5.292 3.232 ( 0.373 -1.502 -1.377) 2.072 3.276 ( -0.338 -0.930 -2.659) 2.837 3.283 ( 3.673 -1.837 -2.699) 4.914 3.388 ( 2.060 -1.115 2.463) 3.399 3.395 ( 1.062 -1.374 1.766) 2.477 3.508 ( 0.445 -0.362 0.561) 0.802 3.525 ( 0.851 -1.736 0.335) 1.962 3.568 ( 3.909 1.082 -0.544) 4.092 3.590 ( 3.429 -0.976 -1.099) 3.731 3.670 ( 0.377 0.969 -0.361) 1.101 3.696 ( 2.310 -1.388 -0.540) 2.748 3.761 ( -0.357 0.797 2.297) 2.457 3.769 ( 1.290 0.369 0.784) 1.554 3.809 ( -1.388 0.746 -0.185) 1.586 3.834 ( -1.299 -0.722 -1.295) 1.971 3.909 ( -0.742 2.266 0.754) 2.501 3.943 ( 0.556 -1.515 1.684) 2.332 4.146 ( 0.313 2.634 1.415) 3.006 4.175 ( 0.675 0.400 1.989) 2.138 4.204 ( 0.170 2.406 -2.528) 3.494 4.239 ( -1.042 1.849 -3.892) 4.433 4.264 ( 0.885 -1.254 -0.946) 1.803 4.279 ( -3.230 1.457 -3.799) 5.195 4.340 ( -0.415 1.232 1.957) 2.350 4.403 ( 0.641 -3.928 2.726) 4.824 4.505 ( -2.150 1.679 1.142) 2.957 4.558 ( -1.338 -3.755 -0.049) 3.987 4.632 ( 0.435 1.642 1.985) 2.612 4.659 ( 1.923 -0.786 2.083) 2.942 4.711 ( -0.600 0.768 -2.747) 2.915 4.733 ( 0.805 -1.229 -2.111) 2.572 4.820 ( -3.509 3.086 2.164) 5.149 4.851 ( -2.007 3.134 -2.529) 4.499 4.878 ( -5.522 -2.440 0.580) 6.065 4.922 ( -0.992 -2.643 -0.593) 2.885 5.015 ( -0.556 3.215 -0.215) 3.270 5.064 ( -2.128 0.562 0.022) 2.201 5.100 ( -1.403 -1.206 -0.795) 2.013 5.121 ( -3.328 -1.341 -0.997) 3.724 5.233 ( -3.150 3.121 -0.669) 4.485 5.266 ( -1.357 -1.284 -0.119) 1.872 5.298 ( -2.511 0.643 -0.400) 2.623 5.357 ( -3.763 -3.708 -0.743) 5.335 5.473 ( -0.133 0.892 3.217) 3.341 5.497 ( 0.621 -1.630 2.153) 2.771 5.587 ( -1.181 2.722 -0.778) 3.067 5.626 ( -1.675 -1.192 -1.245) 2.404 5.725 ( 0.171 1.444 -0.114) 1.459 5.750 ( 1.419 -0.757 1.171) 1.989 5.792 ( 0.079 1.228 -0.646) 1.390 5.820 ( 0.194 -1.734 -2.262) 2.857 5.876 ( 0.882 0.703 1.234) 1.672 5.896 ( 0.587 -1.114 0.840) 1.514 5.943 ( -1.255 1.299 1.939) 2.650 5.958 ( -0.699 -0.401 2.316) 2.452 5.999 ( 4.539 1.581 1.455) 5.022 6.036 ( 3.407 -1.911 1.393) 4.147 6.105 ( 1.307 0.538 -1.969) 2.424 6.114 ( 1.045 -0.560 -2.311) 2.597 6.212 ( 2.131 0.956 -0.682) 2.433 6.224 ( 0.849 0.101 0.513) 0.997 6.322 ( -1.018 2.319 1.130) 2.774 6.361 ( -0.564 -1.805 1.058) 2.167 6.653 ( -5.469 1.912 -1.306) 5.939 6.673 ( -5.954 -0.033 -1.887) 6.246 7.038 ( 0.465 1.494 -0.105) 1.568 7.062 ( 0.027 -1.287 0.081) 1.290 7.266 ( 4.273 1.777 0.610) 4.667 7.278 ( 4.269 0.746 0.385) 4.351 7.350 ( 1.158 1.553 0.759) 2.080 7.393 ( 1.437 -0.530 0.132) 1.537 7.422 ( 0.107 1.530 0.003) 1.533 7.487 ( 0.369 -3.264 -1.738) 3.716 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 1.453 6.071 1.565) 6.436 1.452 ( 2.821 1.730 -1.246) 3.536 1.516 ( 0.770 2.740 0.437) 2.880 1.524 ( 2.889 2.911 2.212) 4.659 1.621 ( 2.285 0.809 2.702) 3.630 1.665 ( 0.183 1.089 -0.365) 1.163 1.734 ( 0.473 3.452 -0.752) 3.565 1.769 ( 3.468 5.220 -2.597) 6.784 1.808 ( 0.069 -3.413 -2.273) 4.101 1.854 ( -3.899 2.898 0.075) 4.859 1.995 ( 2.989 -2.025 -1.364) 3.860 2.055 ( 5.931 -5.046 -2.570) 8.200 2.068 ( -0.619 -0.093 -0.575) 0.850 2.138 ( -2.982 -2.807 1.468) 4.351 2.165 ( 1.464 -4.152 1.724) 4.728 2.198 ( -2.593 -2.992 -0.503) 3.991 2.263 ( -1.887 1.654 3.370) 4.201 2.307 ( -0.792 -2.654 1.165) 3.004 2.371 ( -2.674 -0.172 1.782) 3.218 2.427 ( 0.363 -4.842 -1.554) 5.099 2.451 ( -0.410 5.783 2.028) 6.141 2.563 ( 2.349 -4.442 2.861) 5.782 2.593 ( -0.730 -1.470 1.518) 2.236 2.656 ( 0.539 -5.833 0.972) 5.938 2.739 ( -1.113 5.730 1.746) 6.092 2.762 ( 2.925 0.336 0.893) 3.076 2.789 ( 0.759 -2.010 -2.555) 3.339 2.831 ( 0.190 -2.776 1.093) 2.989 2.895 ( -0.776 0.556 -3.134) 3.276 2.913 ( 0.266 -0.627 1.046) 1.248 2.959 ( -3.405 0.249 -0.844) 3.517 3.020 ( -2.279 -3.789 -2.597) 5.128 3.126 ( -0.793 -0.345 1.279) 1.543 3.134 ( -0.077 -1.144 -2.409) 2.668 3.166 ( 1.833 0.686 -4.069) 4.515 3.219 ( -0.053 -4.403 -1.054) 4.528 3.310 ( 4.366 0.911 0.773) 4.527 3.322 ( 1.884 -0.370 0.365) 1.954 3.404 ( -2.220 2.789 1.240) 3.774 3.463 ( 1.589 -3.128 1.418) 3.784 3.541 ( 2.562 1.491 1.323) 3.246 3.570 ( 1.952 -1.253 1.295) 2.656 3.616 ( 1.150 0.211 -0.802) 1.417 3.620 ( 1.244 -0.197 -0.886) 1.540 3.644 ( -1.001 2.856 -1.542) 3.396 3.691 ( -0.685 -1.589 -1.069) 2.034 3.779 ( -0.695 1.536 1.580) 2.310 3.785 ( -0.201 0.418 -0.997) 1.100 3.793 ( 0.002 0.983 0.599) 1.151 3.830 ( 1.077 -1.293 1.353) 2.159 3.924 ( 0.954 3.231 0.310) 3.383 3.978 ( 0.764 -1.832 0.879) 2.171 4.134 ( -1.139 2.439 -0.475) 2.734 4.171 ( -0.545 2.707 -2.606) 3.796 4.187 ( -2.721 -0.676 0.289) 2.819 4.206 ( 0.562 1.272 -0.805) 1.607 4.211 ( 0.461 2.796 0.352) 2.855 4.267 ( 0.409 -2.332 -0.641) 2.453 4.383 ( 1.347 1.171 2.402) 2.993 4.416 ( -1.372 -1.420 1.116) 2.268 4.489 ( 0.160 0.569 0.296) 0.661 4.529 ( -1.885 -2.804 -0.490) 3.414 4.659 ( 0.448 1.404 -1.429) 2.053 4.671 ( 0.682 0.793 0.197) 1.064 4.699 ( 1.493 -1.375 -0.918) 2.227 4.709 ( 0.466 -3.023 -2.407) 3.892 4.741 ( -4.152 0.793 0.107) 4.229 4.770 ( -5.264 -1.540 -0.091) 5.485 4.857 ( 1.555 3.452 1.213) 3.976 4.904 ( -0.957 -0.369 -1.140) 1.534 4.996 ( -0.097 2.081 0.590) 2.165 5.046 ( -2.708 -1.417 -0.966) 3.205 5.063 ( 0.548 0.656 1.012) 1.325 5.101 ( -0.523 -1.447 -0.077) 1.541 5.178 ( -1.796 3.791 -0.558) 4.232 5.248 ( -1.724 -2.585 -0.476) 3.144 5.254 ( -0.469 -0.060 -0.308) 0.564 5.307 ( -1.010 -4.043 -0.347) 4.181 5.503 ( 0.074 1.765 1.884) 2.583 5.526 ( 0.336 -0.439 0.819) 0.988 5.571 ( 0.024 2.337 -0.352) 2.364 5.603 ( -0.086 -1.068 -0.238) 1.097 5.723 ( 0.171 0.950 -0.380) 1.037 5.748 ( -1.230 -1.548 -1.148) 2.286 5.801 ( 0.364 1.653 0.754) 1.852 5.825 ( 1.092 -0.843 0.777) 1.583 5.882 ( 0.005 0.187 -0.475) 0.510 5.895 ( -0.437 -1.095 -0.466) 1.268 5.962 ( 0.371 2.099 3.380) 3.996 5.992 ( -0.094 -0.806 4.592) 4.663 6.036 ( -0.158 0.153 -3.053) 3.061 6.041 ( -0.954 -0.248 -2.319) 2.520 6.125 ( 1.509 1.271 -0.594) 2.060 6.151 ( 3.142 -1.101 0.417) 3.355 6.233 ( 0.437 1.570 0.234) 1.646 6.258 ( 2.375 -1.328 1.065) 2.922 6.311 ( -0.774 1.954 0.161) 2.108 6.345 ( -1.668 -1.745 -0.919) 2.583 6.573 ( -2.092 1.157 -0.836) 2.532 6.584 ( -2.242 0.173 -0.383) 2.281 7.041 ( 0.134 0.922 -0.101) 0.937 7.061 ( -0.141 -1.326 0.023) 1.334 7.329 ( 2.321 2.441 0.115) 3.370 7.335 ( 1.392 2.650 0.594) 3.052 7.367 ( -0.014 2.972 -0.108) 2.974 7.395 ( 0.150 2.027 -0.072) 2.033 7.447 ( 0.876 -4.721 0.559) 4.834 7.476 ( 0.086 -4.300 -0.858) 4.385 ======================= Grid point 49 (17/60) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.388 ( 1.477 0.000 20.903) 20.955 0.403 ( -11.195 0.000 21.506) 24.245 0.716 ( 6.425 0.000 35.957) 36.527 1.140 ( 9.531 0.000 -14.889) 17.678 1.198 ( -1.168 0.000 -20.602) 20.635 1.648 ( -10.456 0.000 -8.350) 13.381 1.757 ( -2.433 0.000 2.290) 3.342 1.774 ( -0.381 0.000 1.400) 1.451 1.905 ( -2.297 0.000 4.752) 5.278 1.962 ( -0.947 0.000 1.099) 1.451 2.030 ( 1.860 0.000 10.034) 10.205 2.087 ( 3.966 0.000 -2.733) 4.816 2.095 ( -0.186 0.000 -2.679) 2.685 2.259 ( 0.622 0.000 -2.270) 2.353 2.295 ( -0.106 0.000 -0.635) 0.644 2.360 ( -2.790 0.000 -3.177) 4.228 2.423 ( 0.797 0.000 -1.608) 1.794 2.444 ( -3.868 0.000 0.164) 3.871 2.537 ( 2.241 0.000 -0.075) 2.242 2.588 ( 1.876 0.000 -0.167) 1.883 2.633 ( -4.000 0.000 1.641) 4.324 2.671 ( 0.991 0.000 7.041) 7.110 2.685 ( 1.668 0.000 -2.232) 2.786 2.732 ( 9.962 0.000 0.824) 9.996 2.805 ( -1.376 0.000 -6.388) 6.534 2.854 ( -0.328 0.000 2.543) 2.564 2.898 ( -0.400 0.000 -1.612) 1.660 2.932 ( -2.490 0.000 4.002) 4.713 2.940 ( 0.389 0.000 -2.102) 2.137 2.994 ( -0.677 0.000 -1.023) 1.227 3.078 ( -6.972 0.000 1.148) 7.066 3.081 ( 4.004 0.000 -2.370) 4.653 3.127 ( 1.506 0.000 -1.720) 2.286 3.140 ( -1.396 0.000 0.736) 1.578 3.266 ( 1.209 0.000 4.597) 4.754 3.303 ( -3.030 0.000 -0.777) 3.128 3.333 ( 1.254 0.000 -1.857) 2.241 3.351 ( 0.498 0.000 -0.726) 0.880 3.376 ( 1.822 0.000 0.721) 1.959 3.497 ( -1.343 0.000 1.525) 2.032 3.498 ( -2.339 0.000 -5.497) 5.974 3.537 ( 1.670 0.000 0.639) 1.788 3.587 ( 0.456 0.000 -1.431) 1.502 3.623 ( -1.160 0.000 0.562) 1.289 3.623 ( -2.790 0.000 -1.078) 2.991 3.665 ( 4.081 0.000 -1.951) 4.524 3.731 ( -0.011 0.000 2.935) 2.935 3.761 ( 2.775 0.000 -1.496) 3.153 3.779 ( -0.254 0.000 -0.455) 0.521 3.780 ( -0.232 0.000 -1.095) 1.119 3.799 ( 0.250 0.000 0.498) 0.557 3.895 ( -2.755 0.000 -1.854) 3.321 3.965 ( 0.208 0.000 6.199) 6.202 4.077 ( -0.298 0.000 0.271) 0.403 4.142 ( -0.401 0.000 -1.365) 1.423 4.226 ( 2.153 0.000 2.428) 3.245 4.230 ( 0.034 0.000 -3.450) 3.450 4.308 ( -4.778 0.000 -1.832) 5.117 4.423 ( 0.827 0.000 1.549) 1.756 4.424 ( -1.730 0.000 0.453) 1.788 4.455 ( 1.376 0.000 1.813) 2.276 4.547 ( -0.193 0.000 -3.016) 3.022 4.647 ( 3.885 0.000 0.075) 3.886 4.695 ( -0.058 0.000 3.696) 3.696 4.753 ( 1.100 0.000 -4.014) 4.162 4.762 ( -3.439 0.000 4.299) 5.506 4.841 ( 4.893 0.000 2.313) 5.411 4.871 ( 1.027 0.000 1.155) 1.546 4.885 ( -3.372 0.000 0.469) 3.404 4.918 ( 0.662 0.000 -2.899) 2.974 5.029 ( -3.652 0.000 -5.013) 6.202 5.032 ( -0.220 0.000 -5.191) 5.196 5.225 ( -2.414 0.000 -1.664) 2.932 5.232 ( -1.349 0.000 0.658) 1.501 5.315 ( 1.524 0.000 0.959) 1.800 5.340 ( 3.834 0.000 -0.108) 3.836 5.344 ( -0.280 0.000 2.413) 2.430 5.386 ( -2.338 0.000 -0.982) 2.536 5.454 ( -2.413 0.000 2.237) 3.290 5.503 ( 1.750 0.000 2.001) 2.659 5.533 ( 1.778 0.000 3.101) 3.574 5.640 ( -0.447 0.000 -1.649) 1.708 5.642 ( -1.127 0.000 2.637) 2.868 5.733 ( -0.274 0.000 -3.483) 3.494 5.791 ( -1.069 0.000 1.093) 1.529 5.838 ( -0.631 0.000 0.488) 0.797 5.860 ( 2.786 0.000 -0.592) 2.849 5.864 ( -1.429 0.000 -0.334) 1.468 5.888 ( -1.745 0.000 -0.590) 1.842 5.924 ( -0.116 0.000 -2.725) 2.727 5.938 ( 4.260 0.000 3.822) 5.723 6.043 ( -0.977 0.000 -1.245) 1.582 6.070 ( 5.095 0.000 3.861) 6.393 6.129 ( -0.718 0.000 1.083) 1.300 6.132 ( -2.156 0.000 1.736) 2.768 6.138 ( -1.492 0.000 -1.466) 2.091 6.192 ( 0.581 0.000 3.762) 3.807 6.442 ( 0.329 0.000 -4.745) 4.756 6.649 ( -0.868 0.000 -0.236) 0.900 6.680 ( 7.642 0.000 -1.998) 7.899 7.007 ( -2.414 0.000 0.915) 2.581 7.077 ( 3.427 0.000 3.677) 5.026 7.092 ( 0.495 0.000 -2.608) 2.654 7.210 ( 0.023 0.000 -3.510) 3.510 7.232 ( -12.816 0.000 1.763) 12.937 7.316 ( 1.993 0.000 0.495) 2.054 7.328 ( 0.121 0.000 3.367) 3.369 7.466 ( -0.394 0.000 -3.366) 3.390 ======================= Grid point 50 (18/60) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.629 ( 11.447 0.000 13.793) 17.924 0.762 ( 14.222 0.000 16.838) 22.041 1.007 ( 6.957 0.000 -18.030) 19.325 1.137 ( 4.505 0.000 -19.718) 20.226 1.329 ( 17.072 0.000 28.630) 33.334 1.401 ( 3.543 0.000 -8.389) 9.107 1.704 ( -3.076 0.000 -2.798) 4.158 1.756 ( -5.359 0.000 4.079) 6.735 1.947 ( -0.354 0.000 -1.941) 1.973 1.961 ( -2.881 0.000 2.209) 3.630 2.000 ( -0.917 0.000 3.578) 3.693 2.060 ( -2.177 0.000 -3.225) 3.891 2.212 ( 0.784 0.000 3.208) 3.302 2.248 ( 0.667 0.000 -3.174) 3.243 2.251 ( -4.745 0.000 8.068) 9.360 2.309 ( 0.405 0.000 -0.479) 0.627 2.369 ( -2.930 0.000 -2.136) 3.626 2.449 ( -1.779 0.000 3.205) 3.665 2.472 ( -2.499 0.000 -3.470) 4.276 2.523 ( -2.504 0.000 -7.569) 7.973 2.633 ( -4.218 0.000 0.290) 4.228 2.678 ( -4.469 0.000 -0.555) 4.504 2.728 ( 6.399 0.000 2.343) 6.815 2.782 ( 7.316 0.000 -6.595) 9.850 2.853 ( -0.601 0.000 -0.203) 0.635 2.854 ( -5.847 0.000 2.110) 6.216 2.902 ( 0.922 0.000 1.864) 2.079 2.954 ( 2.481 0.000 -1.726) 3.022 2.961 ( 4.653 0.000 -1.300) 4.831 2.993 ( -0.369 0.000 1.114) 1.174 3.006 ( 3.500 0.000 4.018) 5.329 3.129 ( 2.739 0.000 -0.617) 2.808 3.148 ( 1.315 0.000 0.779) 1.528 3.171 ( 0.766 0.000 -1.640) 1.810 3.238 ( -0.317 0.000 4.001) 4.014 3.308 ( -0.747 0.000 1.520) 1.694 3.356 ( 1.359 0.000 -2.626) 2.957 3.369 ( 3.320 0.000 0.271) 3.331 3.377 ( -2.797 0.000 -4.694) 5.464 3.435 ( 2.939 0.000 0.493) 2.980 3.505 ( -1.177 0.000 4.522) 4.673 3.563 ( -0.224 0.000 -2.794) 2.803 3.569 ( -0.304 0.000 -0.125) 0.329 3.631 ( 2.062 0.000 1.408) 2.497 3.634 ( 1.324 0.000 -1.420) 1.941 3.660 ( 1.113 0.000 -3.585) 3.754 3.707 ( -2.085 0.000 -1.208) 2.410 3.767 ( 0.244 0.000 0.745) 0.784 3.780 ( 1.861 0.000 -0.597) 1.954 3.809 ( -1.901 0.000 -3.573) 4.047 3.838 ( 2.674 0.000 -0.587) 2.737 3.854 ( 0.979 0.000 3.246) 3.390 4.023 ( -1.759 0.000 4.239) 4.589 4.063 ( -1.423 0.000 -0.708) 1.589 4.131 ( -0.148 0.000 2.846) 2.849 4.170 ( -1.637 0.000 -4.362) 4.659 4.241 ( -1.789 0.000 -1.686) 2.458 4.282 ( 0.879 0.000 2.967) 3.094 4.390 ( -2.171 0.000 0.101) 2.174 4.421 ( -2.357 0.000 1.168) 2.631 4.499 ( 1.234 0.000 2.073) 2.413 4.520 ( 1.726 0.000 -3.104) 3.551 4.649 ( -2.088 0.000 0.910) 2.277 4.701 ( -0.568 0.000 -2.556) 2.618 4.796 ( 4.099 0.000 6.048) 7.307 4.811 ( -2.972 0.000 -1.898) 3.526 4.823 ( -2.447 0.000 0.419) 2.482 4.846 ( -0.547 0.000 0.305) 0.626 4.888 ( -1.927 0.000 -3.382) 3.892 4.907 ( -1.488 0.000 -2.484) 2.896 4.954 ( 3.673 0.000 0.071) 3.673 4.986 ( -1.012 0.000 0.729) 1.247 5.165 ( -3.277 0.000 -0.354) 3.296 5.200 ( -3.609 0.000 -0.572) 3.654 5.270 ( -3.896 0.000 1.560) 4.196 5.296 ( -6.800 0.000 -0.305) 6.807 5.367 ( 0.313 0.000 0.111) 0.332 5.369 ( 1.307 0.000 -2.497) 2.819 5.471 ( -0.437 0.000 3.860) 3.885 5.537 ( -2.783 0.000 6.372) 6.953 5.567 ( -0.178 0.000 -3.485) 3.489 5.615 ( 1.389 0.000 -4.371) 4.587 5.682 ( 3.016 0.000 0.776) 3.114 5.715 ( 1.348 0.000 0.026) 1.348 5.776 ( -2.320 0.000 0.846) 2.469 5.821 ( -2.785 0.000 -0.701) 2.872 5.846 ( 3.425 0.000 3.514) 4.907 5.898 ( 0.819 0.000 -3.186) 3.290 5.908 ( 1.535 0.000 2.903) 3.284 5.949 ( 3.807 0.000 -0.117) 3.809 5.972 ( -2.102 0.000 -4.092) 4.600 6.050 ( 3.014 0.000 2.781) 4.101 6.081 ( -2.919 0.000 3.186) 4.321 6.097 ( -0.852 0.000 -2.344) 2.494 6.146 ( 1.206 0.000 0.923) 1.519 6.158 ( 1.658 0.000 -0.554) 1.749 6.305 ( 4.993 0.000 4.650) 6.823 6.383 ( -0.248 0.000 -5.154) 5.160 6.600 ( -3.558 0.000 -1.365) 3.811 6.678 ( -2.600 0.000 -2.707) 3.753 6.971 ( -2.920 0.000 3.860) 4.840 7.069 ( 0.042 0.000 -3.558) 3.558 7.176 ( 3.311 0.000 -0.696) 3.383 7.177 ( 1.225 0.000 -2.893) 3.141 7.201 ( 1.753 0.000 4.985) 5.284 7.356 ( 1.752 0.000 0.786) 1.920 7.430 ( 5.886 0.000 3.509) 6.853 7.485 ( 6.192 0.000 -2.705) 6.758 ======================= Grid point 51 (19/60) ======================= q-point: ( 0.29 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.963 ( 13.800 0.000 2.284) 13.988 0.964 ( 6.129 0.000 -17.001) 18.072 1.061 ( 15.783 0.000 -5.285) 16.644 1.184 ( 14.263 0.000 13.715) 19.787 1.569 ( -6.315 0.000 -2.270) 6.710 1.586 ( 18.815 0.000 -3.565) 19.150 1.673 ( -10.157 0.000 5.150) 11.388 1.860 ( -5.423 0.000 -5.140) 7.472 1.872 ( 13.895 0.000 12.344) 18.586 1.885 ( -3.944 0.000 -0.762) 4.017 1.991 ( -6.444 0.000 -1.445) 6.604 2.020 ( 0.139 0.000 -1.591) 1.598 2.131 ( -7.405 0.000 2.900) 7.953 2.226 ( -3.802 0.000 1.152) 3.973 2.230 ( -0.999 0.000 -3.374) 3.519 2.304 ( 0.024 0.000 0.005) 0.024 2.378 ( -2.010 0.000 -6.386) 6.695 2.405 ( 1.523 0.000 5.504) 5.711 2.410 ( -4.399 0.000 -1.749) 4.734 2.483 ( 2.324 0.000 4.888) 5.412 2.569 ( -0.375 0.000 -6.066) 6.077 2.631 ( 0.393 0.000 3.183) 3.207 2.778 ( -1.733 0.000 2.003) 2.649 2.815 ( 1.015 0.000 0.386) 1.086 2.870 ( 7.760 0.000 -4.674) 9.059 2.882 ( 2.424 0.000 1.636) 2.924 2.897 ( -1.232 0.000 -1.195) 1.716 2.974 ( 1.880 0.000 0.571) 1.964 2.992 ( -1.120 0.000 3.344) 3.527 3.037 ( 1.554 0.000 1.805) 2.382 3.113 ( 3.065 0.000 0.857) 3.182 3.139 ( 2.463 0.000 -3.799) 4.528 3.179 ( 3.222 0.000 -1.764) 3.673 3.216 ( 3.676 0.000 2.356) 4.366 3.251 ( -4.243 0.000 0.536) 4.277 3.275 ( -2.800 0.000 -0.649) 2.874 3.333 ( 0.835 0.000 -2.579) 2.711 3.407 ( 4.912 0.000 3.058) 5.787 3.412 ( 0.562 0.000 -0.199) 0.597 3.484 ( 1.894 0.000 0.287) 1.916 3.511 ( -1.617 0.000 -3.736) 4.071 3.519 ( -2.322 0.000 -1.349) 2.685 3.551 ( 0.134 0.000 4.280) 4.282 3.597 ( -0.288 0.000 -1.580) 1.606 3.676 ( -1.539 0.000 2.243) 2.720 3.699 ( 2.652 0.000 1.389) 2.994 3.699 ( 3.083 0.000 -0.399) 3.108 3.738 ( -0.314 0.000 -3.656) 3.669 3.781 ( 0.003 0.000 1.020) 1.020 3.807 ( -0.280 0.000 -0.458) 0.537 3.861 ( 0.489 0.000 -1.386) 1.469 3.867 ( 0.734 0.000 -0.104) 0.741 3.968 ( -6.398 0.000 1.861) 6.663 4.016 ( -1.314 0.000 -2.291) 2.641 4.104 ( -2.768 0.000 -0.988) 2.939 4.166 ( -1.553 0.000 1.287) 2.017 4.206 ( 0.543 0.000 -1.964) 2.038 4.357 ( 0.795 0.000 4.046) 4.123 4.383 ( -1.832 0.000 -1.505) 2.371 4.386 ( 1.867 0.000 5.001) 5.338 4.525 ( 1.042 0.000 -2.430) 2.643 4.542 ( 1.629 0.000 1.459) 2.187 4.610 ( -4.261 0.000 2.339) 4.861 4.640 ( -4.687 0.000 -2.012) 5.101 4.673 ( -0.511 0.000 -1.368) 1.461 4.763 ( -3.492 0.000 -6.448) 7.333 4.840 ( -0.791 0.000 0.212) 0.819 4.874 ( 0.369 0.000 3.323) 3.343 4.885 ( 1.262 0.000 -2.643) 2.928 4.953 ( 0.090 0.000 4.974) 4.975 4.964 ( 0.034 0.000 2.383) 2.384 4.990 ( -0.888 0.000 0.566) 1.053 5.097 ( -4.396 0.000 -2.194) 4.913 5.136 ( -0.268 0.000 1.727) 1.747 5.170 ( -6.837 0.000 -0.269) 6.842 5.285 ( 1.087 0.000 3.766) 3.920 5.341 ( -0.343 0.000 -2.970) 2.989 5.376 ( 0.478 0.000 0.029) 0.478 5.475 ( -2.309 0.000 0.994) 2.514 5.495 ( -1.581 0.000 -3.654) 3.981 5.538 ( -4.503 0.000 5.516) 7.121 5.567 ( -0.533 0.000 -4.475) 4.507 5.741 ( -2.065 0.000 -0.778) 2.206 5.757 ( 1.053 0.000 0.834) 1.343 5.765 ( 2.035 0.000 -0.055) 2.035 5.788 ( 2.589 0.000 0.401) 2.619 5.873 ( -0.111 0.000 -0.834) 0.841 5.911 ( 0.177 0.000 0.812) 0.831 5.915 ( 1.142 0.000 -2.804) 3.028 5.981 ( 2.270 0.000 3.715) 4.353 6.011 ( 1.850 0.000 -1.419) 2.332 6.054 ( -0.748 0.000 -0.556) 0.932 6.056 ( 0.781 0.000 -3.081) 3.179 6.106 ( -0.711 0.000 3.367) 3.441 6.175 ( 1.283 0.000 -0.196) 1.297 6.182 ( 1.625 0.000 -0.523) 1.707 6.356 ( 1.848 0.000 -2.187) 2.863 6.416 ( 3.399 0.000 1.498) 3.714 6.518 ( -4.058 0.000 -0.200) 4.063 6.597 ( -3.847 0.000 -0.429) 3.871 6.984 ( -1.173 0.000 4.099) 4.263 7.032 ( 1.327 0.000 -4.015) 4.229 7.190 ( 1.985 0.000 -0.938) 2.195 7.212 ( 2.026 0.000 -0.803) 2.179 7.284 ( 2.336 0.000 2.515) 3.433 7.400 ( 2.631 0.000 -0.078) 2.632 7.563 ( 5.075 0.000 2.191) 5.527 7.578 ( 5.109 0.000 -0.202) 5.113 ======================= Grid point 52 (20/60) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.030 ( 15.621 0.000 -7.969) 17.536 1.183 ( 12.301 0.000 -1.743) 12.423 1.316 ( 9.533 0.000 2.483) 9.851 1.418 ( -6.556 0.000 -2.099) 6.884 1.479 ( -3.628 0.000 7.763) 8.568 1.542 ( -5.347 0.000 1.423) 5.533 1.696 ( -2.089 0.000 0.515) 2.151 1.808 ( -1.256 0.000 -2.950) 3.206 1.855 ( 7.086 0.000 -3.040) 7.711 1.876 ( -2.627 0.000 -2.960) 3.957 1.960 ( -1.321 0.000 -2.770) 3.069 1.971 ( -5.371 0.000 -0.390) 5.385 2.080 ( 1.574 0.000 0.025) 1.574 2.177 ( 2.282 0.000 -5.508) 5.962 2.227 ( -1.954 0.000 0.229) 1.967 2.238 ( -1.272 0.000 -5.571) 5.715 2.299 ( 0.878 0.000 -3.239) 3.356 2.432 ( -3.246 0.000 -4.403) 5.470 2.449 ( 1.986 0.000 7.731) 7.982 2.481 ( -0.895 0.000 5.275) 5.350 2.656 ( 3.049 0.000 7.090) 7.718 2.673 ( 1.275 0.000 3.166) 3.413 2.794 ( -1.569 0.000 1.898) 2.462 2.820 ( -1.679 0.000 1.566) 2.296 2.860 ( 0.138 0.000 -3.261) 3.264 2.938 ( 3.670 0.000 -1.875) 4.121 2.938 ( 1.949 0.000 0.480) 2.007 2.994 ( -1.386 0.000 -1.204) 1.836 3.025 ( 1.747 0.000 0.940) 1.984 3.027 ( -4.057 0.000 -1.853) 4.460 3.151 ( 0.690 0.000 3.220) 3.293 3.168 ( 2.645 0.000 1.402) 2.993 3.181 ( 1.757 0.000 -0.999) 2.021 3.186 ( -0.603 0.000 -3.835) 3.882 3.234 ( 1.122 0.000 -1.617) 1.968 3.279 ( -1.513 0.000 -0.554) 1.611 3.317 ( 1.054 0.000 -3.948) 4.087 3.384 ( -0.743 0.000 -2.914) 3.007 3.452 ( 1.303 0.000 -1.185) 1.762 3.479 ( 0.539 0.000 -1.225) 1.338 3.503 ( 0.599 0.000 1.124) 1.274 3.526 ( 1.643 0.000 1.272) 2.077 3.583 ( -1.910 0.000 2.492) 3.140 3.607 ( 0.700 0.000 2.505) 2.601 3.668 ( -2.926 0.000 4.016) 4.969 3.712 ( -0.221 0.000 -1.968) 1.981 3.740 ( 2.530 0.000 0.761) 2.642 3.761 ( -0.060 0.000 0.480) 0.484 3.773 ( 0.625 0.000 2.656) 2.729 3.809 ( 2.315 0.000 0.704) 2.420 3.854 ( 0.835 0.000 -0.659) 1.063 3.892 ( -4.232 0.000 3.892) 5.750 3.910 ( 2.105 0.000 -1.098) 2.375 3.987 ( 0.085 0.000 -1.727) 1.729 4.050 ( -2.325 0.000 0.651) 2.414 4.116 ( -3.065 0.000 -1.553) 3.436 4.233 ( 3.420 0.000 -0.650) 3.481 4.339 ( -1.021 0.000 -0.187) 1.038 4.371 ( -1.095 0.000 -0.639) 1.268 4.432 ( -3.288 0.000 -0.042) 3.288 4.519 ( 1.669 0.000 -0.787) 1.845 4.566 ( -2.083 0.000 -0.714) 2.202 4.580 ( -3.526 0.000 6.352) 7.265 4.613 ( 0.729 0.000 -0.362) 0.814 4.630 ( 0.001 0.000 1.893) 1.893 4.750 ( 5.530 0.000 -1.075) 5.634 4.813 ( -1.238 0.000 -0.853) 1.503 4.878 ( 0.209 0.000 -3.022) 3.029 4.905 ( 0.579 0.000 0.249) 0.631 4.922 ( -2.493 0.000 3.405) 4.220 4.969 ( -1.861 0.000 4.031) 4.439 5.025 ( -2.131 0.000 -0.479) 2.184 5.034 ( 0.565 0.000 0.832) 1.006 5.063 ( -4.372 0.000 -0.535) 4.405 5.172 ( 0.938 0.000 1.605) 1.859 5.269 ( 0.151 0.000 -5.030) 5.033 5.322 ( -2.948 0.000 -3.451) 4.539 5.350 ( -0.167 0.000 -4.582) 4.585 5.480 ( 1.041 0.000 4.587) 4.704 5.494 ( 1.583 0.000 2.889) 3.294 5.510 ( -4.054 0.000 4.129) 5.786 5.533 ( 1.887 0.000 -3.022) 3.563 5.692 ( -0.668 0.000 1.297) 1.459 5.775 ( -0.464 0.000 1.825) 1.883 5.817 ( 1.025 0.000 1.035) 1.457 5.827 ( 2.362 0.000 -2.204) 3.231 5.867 ( 0.065 0.000 -1.705) 1.706 5.897 ( -1.224 0.000 -0.610) 1.368 5.932 ( 2.099 0.000 -0.102) 2.102 5.991 ( -3.467 0.000 1.293) 3.700 5.999 ( 0.672 0.000 0.193) 0.699 6.064 ( 1.272 0.000 -1.302) 1.820 6.082 ( 2.976 0.000 -1.035) 3.150 6.112 ( -1.333 0.000 1.379) 1.918 6.179 ( 0.383 0.000 -1.400) 1.451 6.193 ( 0.507 0.000 -0.854) 0.993 6.366 ( 0.711 0.000 -1.518) 1.676 6.445 ( 0.734 0.000 -2.210) 2.328 6.489 ( -0.823 0.000 3.316) 3.417 6.554 ( -1.674 0.000 1.120) 2.014 6.998 ( -2.100 0.000 3.161) 3.795 7.041 ( 3.156 0.000 -1.754) 3.610 7.210 ( 0.807 0.000 -0.279) 0.854 7.226 ( 0.859 0.000 -1.349) 1.599 7.331 ( 0.556 0.000 1.656) 1.747 7.425 ( 0.869 0.000 -1.620) 1.839 7.632 ( 1.056 0.000 0.534) 1.184 7.635 ( 1.789 0.000 -0.177) 1.798 ======================= Grid point 53 (21/60) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 1.079 ( -14.808 0.000 -8.792) 17.222 1.202 ( -4.936 0.000 -4.083) 6.406 1.316 ( -0.032 0.000 0.773) 0.774 1.398 ( 2.996 0.000 5.437) 6.208 1.443 ( -2.826 0.000 2.395) 3.705 1.537 ( 7.627 0.000 4.216) 8.714 1.703 ( -8.511 0.000 -3.419) 9.172 1.800 ( -1.655 0.000 -3.050) 3.471 1.820 ( -4.216 0.000 -2.681) 4.997 1.845 ( 4.861 0.000 1.425) 5.066 1.885 ( -1.174 0.000 -0.504) 1.277 2.006 ( 3.776 0.000 -0.181) 3.780 2.026 ( -3.484 0.000 -3.160) 4.704 2.121 ( 1.909 0.000 -7.125) 7.376 2.197 ( -0.479 0.000 2.348) 2.397 2.246 ( 0.895 0.000 0.569) 1.061 2.292 ( -2.177 0.000 -6.587) 6.937 2.357 ( 6.778 0.000 -1.239) 6.890 2.539 ( -2.217 0.000 7.193) 7.527 2.584 ( 2.809 0.000 7.461) 7.972 2.726 ( -0.061 0.000 -0.074) 0.096 2.743 ( 1.196 0.000 -0.293) 1.231 2.770 ( -3.768 0.000 7.219) 8.143 2.788 ( -0.700 0.000 -0.980) 1.204 2.804 ( 0.455 0.000 -5.893) 5.911 2.877 ( -5.624 0.000 0.147) 5.626 2.951 ( -1.132 0.000 1.441) 1.833 2.962 ( 1.104 0.000 1.163) 1.604 2.989 ( -0.030 0.000 -3.125) 3.125 3.062 ( 2.298 0.000 -1.034) 2.520 3.143 ( -0.061 0.000 -3.720) 3.721 3.166 ( -1.731 0.000 0.563) 1.820 3.189 ( -3.189 0.000 -0.775) 3.282 3.215 ( -0.779 0.000 0.848) 1.152 3.242 ( 1.122 0.000 0.277) 1.156 3.246 ( -0.382 0.000 0.733) 0.826 3.291 ( 2.020 0.000 -1.546) 2.544 3.360 ( 2.922 0.000 -5.211) 5.974 3.450 ( -0.159 0.000 -2.376) 2.381 3.491 ( 2.450 0.000 0.684) 2.543 3.539 ( -2.951 0.000 0.325) 2.969 3.550 ( 2.520 0.000 1.999) 3.217 3.597 ( 1.734 0.000 2.272) 2.858 3.620 ( -0.792 0.000 0.592) 0.989 3.673 ( -2.169 0.000 4.513) 5.007 3.714 ( 1.951 0.000 -0.409) 1.994 3.753 ( -0.788 0.000 -0.720) 1.068 3.789 ( -3.748 0.000 3.222) 4.943 3.802 ( 1.199 0.000 2.164) 2.474 3.813 ( -2.845 0.000 0.193) 2.852 3.872 ( 0.913 0.000 0.123) 0.922 3.889 ( -0.937 0.000 -1.275) 1.582 3.936 ( 2.286 0.000 2.941) 3.725 3.994 ( 2.244 0.000 1.468) 2.681 4.046 ( -1.603 0.000 -4.107) 4.408 4.081 ( 5.368 0.000 -1.314) 5.527 4.258 ( -4.748 0.000 -3.911) 6.151 4.263 ( 0.946 0.000 -0.160) 0.959 4.354 ( 0.304 0.000 3.515) 3.528 4.410 ( -0.801 0.000 0.769) 1.110 4.507 ( -1.561 0.000 -0.764) 1.738 4.577 ( 3.322 0.000 1.242) 3.547 4.611 ( -0.867 0.000 2.606) 2.746 4.665 ( -0.405 0.000 -1.521) 1.574 4.675 ( 4.390 0.000 7.100) 8.347 4.774 ( 1.553 0.000 -1.560) 2.201 4.817 ( -1.982 0.000 -2.113) 2.897 4.847 ( 0.441 0.000 -0.191) 0.480 4.877 ( -1.630 0.000 -4.234) 4.537 4.884 ( -1.447 0.000 -3.211) 3.522 5.012 ( 0.903 0.000 4.880) 4.963 5.027 ( 2.036 0.000 4.518) 4.956 5.042 ( 2.181 0.000 0.987) 2.394 5.083 ( 2.891 0.000 3.806) 4.780 5.176 ( -1.127 0.000 -0.779) 1.370 5.214 ( -2.382 0.000 -1.804) 2.988 5.264 ( 3.633 0.000 -6.683) 7.607 5.321 ( 2.220 0.000 -3.293) 3.971 5.471 ( -2.412 0.000 0.589) 2.483 5.515 ( -3.173 0.000 3.487) 4.715 5.541 ( 2.530 0.000 -0.187) 2.537 5.598 ( 4.561 0.000 2.189) 5.059 5.736 ( 1.557 0.000 1.827) 2.401 5.774 ( -1.486 0.000 1.588) 2.174 5.817 ( -2.098 0.000 0.364) 2.130 5.822 ( 0.695 0.000 -3.661) 3.726 5.863 ( 1.709 0.000 0.641) 1.825 5.864 ( -3.056 0.000 0.537) 3.103 5.923 ( -2.937 0.000 -2.592) 3.917 5.966 ( 1.392 0.000 1.044) 1.740 6.020 ( -4.547 0.000 -0.795) 4.616 6.048 ( 2.799 0.000 1.244) 3.063 6.098 ( -0.474 0.000 -1.625) 1.693 6.121 ( 1.208 0.000 1.257) 1.743 6.159 ( -1.100 0.000 -1.746) 2.064 6.187 ( -0.099 0.000 -0.668) 0.676 6.369 ( 1.133 0.000 0.620) 1.292 6.411 ( -1.310 0.000 -3.213) 3.470 6.536 ( 1.649 0.000 2.810) 3.258 6.555 ( 0.964 0.000 0.464) 1.070 6.973 ( -3.644 0.000 1.669) 4.008 7.095 ( 3.652 0.000 0.303) 3.665 7.205 ( -0.891 0.000 -0.714) 1.142 7.213 ( -0.736 0.000 -1.313) 1.505 7.342 ( -1.297 0.000 2.171) 2.529 7.397 ( -1.290 0.000 -2.254) 2.597 7.613 ( -3.376 0.000 0.186) 3.381 7.641 ( -0.924 0.000 0.091) 0.929 ======================= Grid point 54 (22/60) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.676 ( -18.712 0.000 -9.748) 21.099 0.848 ( -22.260 0.000 -2.487) 22.399 1.310 ( -32.188 0.000 1.839) 32.241 1.329 ( -1.749 0.000 -7.048) 7.262 1.512 ( 0.117 0.000 11.166) 11.167 1.578 ( 10.376 0.000 0.535) 10.390 1.629 ( -0.866 0.000 10.251) 10.287 1.726 ( -2.572 0.000 -10.836) 11.137 1.816 ( 4.165 0.000 5.521) 6.915 1.873 ( 1.873 0.000 -2.039) 2.769 1.942 ( 6.916 0.000 -0.488) 6.933 1.974 ( -0.551 0.000 -0.982) 1.126 2.027 ( 0.780 0.000 -2.475) 2.595 2.182 ( 7.624 0.000 -0.147) 7.625 2.223 ( -0.380 0.000 -1.090) 1.155 2.275 ( 2.610 0.000 -0.602) 2.679 2.300 ( 7.049 0.000 1.986) 7.324 2.428 ( 2.175 0.000 0.228) 2.187 2.552 ( -2.620 0.000 4.681) 5.365 2.617 ( -1.181 0.000 -1.406) 1.836 2.672 ( -3.047 0.000 -6.539) 7.214 2.712 ( -1.067 0.000 1.630) 1.948 2.716 ( -6.624 0.000 -0.992) 6.698 2.799 ( 1.880 0.000 -1.673) 2.516 2.816 ( -1.332 0.000 6.555) 6.689 2.837 ( 0.634 0.000 -0.122) 0.645 2.962 ( 0.931 0.000 -3.065) 3.203 3.008 ( -3.889 0.000 -1.289) 4.097 3.013 ( -0.253 0.000 0.932) 0.965 3.037 ( 2.907 0.000 6.878) 7.467 3.107 ( -5.751 0.000 2.500) 6.270 3.111 ( 1.806 0.000 -3.911) 4.308 3.153 ( -3.153 0.000 -1.937) 3.700 3.189 ( 0.304 0.000 3.063) 3.078 3.232 ( -0.775 0.000 -3.491) 3.576 3.243 ( -1.544 0.000 2.270) 2.745 3.344 ( 0.651 0.000 -3.261) 3.326 3.353 ( 3.156 0.000 1.157) 3.362 3.457 ( 0.825 0.000 -2.433) 2.569 3.481 ( -2.081 0.000 0.486) 2.137 3.521 ( -0.425 0.000 1.351) 1.416 3.594 ( 3.717 0.000 -2.592) 4.532 3.613 ( -1.577 0.000 -0.987) 1.861 3.628 ( -0.007 0.000 0.913) 0.913 3.673 ( -5.423 0.000 3.618) 6.519 3.699 ( -0.681 0.000 0.215) 0.714 3.734 ( -4.949 0.000 0.288) 4.957 3.766 ( 3.593 0.000 1.545) 3.911 3.771 ( 1.200 0.000 -2.001) 2.333 3.812 ( 0.156 0.000 -2.728) 2.732 3.841 ( -2.192 0.000 -1.391) 2.596 3.893 ( 1.196 0.000 -0.251) 1.223 3.930 ( -2.424 0.000 -0.693) 2.521 4.049 ( 1.432 0.000 0.912) 1.698 4.067 ( 4.009 0.000 2.129) 4.539 4.167 ( 6.204 0.000 -2.192) 6.580 4.198 ( -0.007 0.000 -1.499) 1.499 4.298 ( -0.314 0.000 5.269) 5.278 4.401 ( 0.063 0.000 -0.770) 0.772 4.422 ( 2.685 0.000 4.710) 5.422 4.481 ( -1.199 0.000 -0.652) 1.365 4.608 ( -1.681 0.000 -0.641) 1.799 4.610 ( 0.541 0.000 -3.617) 3.658 4.633 ( 0.327 0.000 3.265) 3.281 4.717 ( -0.681 0.000 -2.502) 2.593 4.739 ( -3.139 0.000 -2.013) 3.729 4.803 ( 1.542 0.000 -0.741) 1.710 4.827 ( 0.911 0.000 -3.407) 3.527 4.906 ( 4.615 0.000 6.497) 7.969 4.919 ( 2.274 0.000 0.575) 2.345 5.093 ( -0.889 0.000 1.427) 1.682 5.116 ( 1.339 0.000 6.593) 6.728 5.130 ( 6.917 0.000 0.110) 6.917 5.147 ( 0.871 0.000 -2.632) 2.773 5.157 ( 2.197 0.000 0.728) 2.314 5.199 ( 4.344 0.000 1.291) 4.532 5.264 ( 3.137 0.000 -4.923) 5.838 5.358 ( 4.431 0.000 -0.450) 4.454 5.435 ( -1.933 0.000 0.702) 2.057 5.493 ( -1.867 0.000 1.272) 2.259 5.568 ( 0.893 0.000 -2.872) 3.007 5.684 ( 3.164 0.000 0.349) 3.183 5.728 ( -2.977 0.000 0.293) 2.992 5.766 ( -0.275 0.000 -4.863) 4.871 5.784 ( -5.990 0.000 0.794) 6.043 5.793 ( 0.684 0.000 3.760) 3.822 5.814 ( 0.675 0.000 0.588) 0.895 5.872 ( -0.897 0.000 -2.010) 2.201 5.904 ( 1.686 0.000 0.393) 1.731 5.921 ( -5.827 0.000 0.563) 5.854 5.992 ( -0.632 0.000 1.155) 1.317 6.050 ( -1.914 0.000 -3.584) 4.063 6.097 ( -1.941 0.000 3.490) 3.994 6.102 ( 0.269 0.000 -2.565) 2.579 6.153 ( 0.532 0.000 1.131) 1.250 6.177 ( -0.168 0.000 -0.662) 0.683 6.332 ( -4.357 0.000 -1.732) 4.689 6.419 ( 2.786 0.000 1.157) 3.017 6.593 ( 2.391 0.000 1.051) 2.612 6.596 ( 3.859 0.000 -1.867) 4.287 6.924 ( -2.893 0.000 1.183) 3.125 7.162 ( 1.700 0.000 1.986) 2.614 7.169 ( -0.714 0.000 -2.656) 2.750 7.169 ( -2.109 0.000 -1.599) 2.646 7.341 ( -2.054 0.000 2.851) 3.514 7.346 ( -2.162 0.000 -1.244) 2.495 7.547 ( -5.076 0.000 3.182) 5.991 7.606 ( -3.297 0.000 0.192) 3.303 ======================= Grid point 55 (23/60) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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| 0.337 ( -13.920 0.000 12.190) 18.503 0.455 ( -22.907 0.000 6.057) 23.695 0.772 ( -36.246 0.000 14.293) 38.962 1.198 ( 1.346 0.000 -12.940) 13.010 1.468 ( -5.444 0.000 -17.639) 18.460 1.674 ( 2.139 0.000 13.210) 13.382 1.720 ( 5.131 0.000 -0.368) 5.144 1.757 ( -0.129 0.000 7.152) 7.153 1.917 ( -0.997 0.000 -2.699) 2.878 1.924 ( 2.346 0.000 4.063) 4.691 1.957 ( 0.318 0.000 6.460) 6.468 2.035 ( 4.342 0.000 -4.033) 5.926 2.045 ( 5.939 0.000 -0.897) 6.006 2.278 ( 2.413 0.000 -2.509) 3.481 2.290 ( 1.764 0.000 4.087) 4.451 2.323 ( 4.404 0.000 -0.080) 4.405 2.418 ( 6.463 0.000 2.107) 6.798 2.491 ( 4.599 0.000 4.670) 6.554 2.518 ( -9.006 0.000 1.177) 9.082 2.552 ( -3.742 0.000 -5.429) 6.594 2.574 ( 2.293 0.000 -0.974) 2.491 2.637 ( -2.353 0.000 0.635) 2.437 2.706 ( 0.736 0.000 -2.764) 2.860 2.755 ( -3.182 0.000 -5.035) 5.956 2.829 ( -1.785 0.000 2.003) 2.683 2.880 ( 4.436 0.000 -0.482) 4.462 2.928 ( -4.330 0.000 5.099) 6.690 2.939 ( -0.094 0.000 -2.279) 2.281 2.962 ( -5.806 0.000 -2.868) 6.475 3.033 ( -1.464 0.000 -1.928) 2.421 3.078 ( 0.103 0.000 1.948) 1.951 3.093 ( -1.074 0.000 -1.791) 2.089 3.165 ( -1.335 0.000 1.126) 1.747 3.169 ( -0.567 0.000 -2.821) 2.877 3.219 ( -1.108 0.000 3.660) 3.824 3.271 ( 2.727 0.000 2.724) 3.854 3.340 ( 0.996 0.000 -0.811) 1.284 3.380 ( -1.183 0.000 0.090) 1.187 3.391 ( -3.775 0.000 -0.011) 3.775 3.501 ( 0.348 0.000 0.351) 0.494 3.548 ( -1.988 0.000 -2.668) 3.328 3.553 ( 2.068 0.000 0.943) 2.273 3.577 ( -0.638 0.000 -3.732) 3.786 3.625 ( -0.996 0.000 -0.870) 1.322 3.629 ( -2.168 0.000 2.957) 3.666 3.688 ( 0.754 0.000 -0.826) 1.118 3.700 ( -0.098 0.000 0.722) 0.728 3.767 ( -0.680 0.000 -3.182) 3.254 3.785 ( 0.582 0.000 -1.264) 1.391 3.815 ( -0.586 0.000 1.061) 1.212 3.859 ( 0.902 0.000 -4.157) 4.254 3.889 ( 2.672 0.000 0.550) 2.727 3.913 ( -0.674 0.000 2.861) 2.940 4.073 ( 0.671 0.000 0.460) 0.814 4.145 ( 2.751 0.000 0.071) 2.752 4.180 ( 0.055 0.000 -0.518) 0.521 4.230 ( 3.621 0.000 -1.907) 4.093 4.354 ( 0.192 0.000 6.103) 6.106 4.416 ( 1.812 0.000 0.108) 1.815 4.450 ( -1.918 0.000 0.190) 1.928 4.490 ( -3.148 0.000 -5.385) 6.238 4.561 ( 0.806 0.000 2.514) 2.640 4.594 ( -2.288 0.000 -4.614) 5.150 4.662 ( 5.645 0.000 0.665) 5.684 4.698 ( -0.142 0.000 0.573) 0.590 4.747 ( 1.919 0.000 5.304) 5.640 4.807 ( 0.511 0.000 -1.830) 1.900 4.839 ( 1.840 0.000 -0.213) 1.852 4.932 ( -1.630 0.000 0.402) 1.679 4.961 ( -1.840 0.000 -0.432) 1.890 5.088 ( 0.124 0.000 -5.331) 5.332 5.092 ( 1.294 0.000 -2.673) 2.970 5.221 ( 0.307 0.000 5.635) 5.643 5.223 ( 7.381 0.000 -1.545) 7.541 5.261 ( 3.446 0.000 -3.954) 5.244 5.266 ( 4.164 0.000 1.324) 4.369 5.299 ( 2.600 0.000 3.127) 4.067 5.445 ( 1.920 0.000 1.247) 2.289 5.447 ( 1.902 0.000 0.520) 1.972 5.477 ( -1.609 0.000 1.210) 2.013 5.486 ( -3.169 0.000 -3.693) 4.866 5.670 ( -4.081 0.000 1.320) 4.289 5.679 ( -3.564 0.000 -1.198) 3.760 5.738 ( 3.812 0.000 -1.212) 4.000 5.767 ( 1.692 0.000 1.348) 2.163 5.826 ( -1.995 0.000 0.476) 2.051 5.834 ( 1.749 0.000 -1.102) 2.067 5.863 ( -2.288 0.000 7.142) 7.500 5.883 ( 3.107 0.000 1.846) 3.614 5.911 ( -0.722 0.000 -0.588) 0.931 5.962 ( -3.812 0.000 -2.841) 4.755 5.967 ( -2.472 0.000 0.782) 2.592 6.062 ( -0.410 0.000 -1.793) 1.839 6.123 ( -0.516 0.000 2.323) 2.380 6.165 ( -0.500 0.000 0.385) 0.631 6.171 ( 0.158 0.000 -0.290) 0.330 6.235 ( -5.801 0.000 -0.688) 5.842 6.460 ( 1.784 0.000 -1.717) 2.476 6.600 ( 0.030 0.000 -2.689) 2.689 6.637 ( 1.833 0.000 0.243) 1.849 6.941 ( 2.843 0.000 2.833) 4.013 7.096 ( -4.590 0.000 0.463) 4.614 7.122 ( -0.914 0.000 -2.318) 2.491 7.216 ( 2.977 0.000 -1.810) 3.484 7.305 ( -1.321 0.000 -0.166) 1.331 7.320 ( -2.686 0.000 1.315) 2.991 7.524 ( -3.457 0.000 -1.653) 3.831 7.536 ( -3.957 0.000 -1.136) 4.117 ======================= Grid point 56 (24/60) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 2.743 13.183 12.417) 18.316 0.617 ( -7.144 17.699 13.379) 23.309 0.976 ( 3.981 20.414 24.953) 32.484 1.142 ( 1.599 0.986 -15.057) 15.173 1.235 ( 3.434 4.601 -14.952) 16.016 1.672 ( -0.273 -1.157 -1.388) 1.827 1.756 ( -7.540 2.803 -2.166) 8.331 1.791 ( -2.373 -0.167 2.338) 3.335 1.851 ( 1.177 -2.412 1.400) 3.027 1.867 ( -0.562 -6.936 0.176) 6.960 1.997 ( 0.359 -3.262 7.041) 7.768 2.097 ( 2.145 -0.914 0.916) 2.505 2.189 ( 1.098 3.683 -1.891) 4.283 2.228 ( 1.923 -5.120 -1.490) 5.669 2.257 ( 0.751 -0.031 -2.166) 2.292 2.345 ( -2.616 -2.112 -1.553) 3.703 2.380 ( 0.165 -1.581 -1.582) 2.242 2.418 ( -3.510 -3.537 0.004) 4.983 2.451 ( 0.005 -3.949 0.967) 4.066 2.527 ( -0.887 -3.843 -1.894) 4.376 2.627 ( -0.926 -3.191 4.408) 5.520 2.628 ( 3.575 -4.207 -0.363) 5.532 2.691 ( 2.290 -1.103 -1.918) 3.184 2.750 ( 0.729 1.772 0.673) 2.030 2.777 ( -0.088 -2.372 -4.960) 5.499 2.815 ( 0.773 -5.061 5.213) 7.307 2.846 ( 1.349 -0.993 -0.659) 1.800 2.943 ( -0.494 -0.674 -3.026) 3.139 2.959 ( -1.477 -2.985 2.012) 3.891 2.986 ( 3.158 -0.976 1.534) 3.644 3.041 ( -3.995 1.035 0.816) 4.207 3.086 ( -2.980 0.904 -2.287) 3.864 3.086 ( -0.956 -3.584 0.354) 3.726 3.136 ( 2.287 -1.407 -1.105) 2.904 3.197 ( 1.004 -5.181 1.696) 5.543 3.287 ( 0.847 -0.601 0.790) 1.305 3.308 ( -0.098 -5.721 -0.341) 5.732 3.344 ( -3.028 -0.504 -1.392) 3.370 3.403 ( 1.815 1.804 -1.097) 2.784 3.463 ( 0.567 -2.311 -2.996) 3.826 3.518 ( -0.639 0.986 2.039) 2.353 3.536 ( -0.056 -1.882 1.089) 2.175 3.567 ( -0.593 1.522 -0.528) 1.717 3.592 ( 0.023 -1.162 -1.418) 1.833 3.631 ( -0.273 -0.537 -1.589) 1.699 3.683 ( -0.105 2.424 -1.059) 2.647 3.732 ( 0.860 -1.721 -0.190) 1.934 3.759 ( -0.931 -0.516 -0.217) 1.086 3.809 ( 2.436 3.113 0.764) 4.027 3.822 ( -1.068 3.292 -1.115) 3.636 3.837 ( 1.216 3.293 0.551) 3.554 3.856 ( -1.557 0.280 1.157) 1.960 3.972 ( 0.561 1.005 2.880) 3.102 4.116 ( 0.227 1.824 -1.589) 2.429 4.184 ( 0.515 -0.836 2.383) 2.577 4.223 ( 0.160 3.081 -2.126) 3.747 4.242 ( -0.929 1.636 -1.306) 2.290 4.335 ( -1.954 1.836 -0.421) 2.714 4.395 ( 2.897 -2.725 0.498) 4.008 4.396 ( -2.332 -2.491 0.593) 3.463 4.478 ( 1.524 2.814 1.995) 3.771 4.578 ( -1.443 1.592 -1.930) 2.888 4.595 ( 0.764 -1.088 3.432) 3.680 4.669 ( 0.400 -2.245 4.057) 4.654 4.760 ( 2.516 0.380 -4.084) 4.812 4.784 ( 0.297 1.001 2.227) 2.459 4.809 ( -0.486 -0.170 3.132) 3.174 4.881 ( -2.014 -0.012 0.419) 2.057 4.915 ( -0.798 -3.713 -3.481) 5.152 4.930 ( 0.996 2.640 -1.201) 3.067 4.964 ( 1.504 1.915 0.071) 2.436 5.104 ( -1.149 1.514 -4.644) 5.017 5.189 ( -2.663 -2.372 -2.040) 4.108 5.264 ( -0.071 -1.577 -5.380) 5.606 5.309 ( -1.572 0.795 3.259) 3.705 5.338 ( 3.774 0.492 -0.522) 3.841 5.393 ( -1.161 2.667 1.113) 3.114 5.401 ( 0.724 2.420 -0.263) 2.540 5.463 ( -2.447 0.578 2.176) 3.326 5.515 ( -0.934 0.355 3.857) 3.984 5.525 ( 2.571 0.300 1.796) 3.150 5.617 ( 1.243 -0.516 0.202) 1.361 5.666 ( -1.284 1.532 1.157) 2.310 5.720 ( -0.241 -0.959 -2.808) 2.977 5.796 ( -0.184 -0.019 0.312) 0.363 5.811 ( 0.758 -1.089 1.417) 1.941 5.846 ( -2.980 -1.957 -1.809) 3.998 5.872 ( 0.141 -0.026 0.292) 0.325 5.901 ( 1.103 0.092 -1.586) 1.934 5.939 ( -1.313 2.624 -0.659) 3.007 5.950 ( 3.161 1.347 4.941) 6.018 6.023 ( 4.722 -0.943 3.040) 5.694 6.054 ( -2.809 -0.754 -0.875) 3.037 6.112 ( -0.909 -0.291 -0.103) 0.960 6.150 ( -1.312 0.468 -0.680) 1.550 6.174 ( 0.009 1.763 -1.513) 2.324 6.214 ( -0.181 2.218 4.048) 4.620 6.414 ( 1.203 -2.328 -3.563) 4.423 6.682 ( -1.695 4.020 0.215) 4.368 6.704 ( 3.779 2.445 -1.011) 4.613 6.991 ( -3.192 0.124 1.602) 3.573 7.068 ( 3.569 -0.709 1.567) 3.961 7.098 ( 1.028 0.615 -1.240) 1.723 7.182 ( -4.240 -1.217 -0.578) 4.449 7.267 ( -2.591 3.063 0.832) 4.097 7.318 ( 1.710 0.603 1.820) 2.569 7.336 ( 0.808 0.601 1.787) 2.051 7.467 ( -0.222 0.204 -3.567) 3.580 ======================= Grid point 57 (25/60) ======================= q-point: ( 0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 7.194 11.391 10.253) 16.930 0.796 ( 12.721 4.987 15.567) 20.713 0.983 ( 5.932 1.199 -15.807) 16.926 1.213 ( 8.149 6.885 -16.035) 19.259 1.466 ( 14.184 12.433 23.187) 29.890 1.526 ( -0.558 9.394 -6.888) 11.662 1.704 ( -0.798 -0.111 -1.781) 1.954 1.746 ( -4.472 -1.032 3.501) 5.772 1.853 ( 0.608 -5.797 -2.220) 6.237 1.934 ( 3.839 -3.811 1.917) 5.739 2.032 ( -6.402 1.786 -1.038) 6.727 2.073 ( -0.627 0.398 5.333) 5.384 2.143 ( -3.460 -6.499 -0.300) 7.369 2.212 ( -1.213 -0.853 -0.545) 1.580 2.269 ( -2.224 -5.176 -4.180) 7.015 2.307 ( -4.266 -2.485 1.470) 5.151 2.338 ( 3.106 -1.938 -0.195) 3.666 2.378 ( -3.570 1.768 0.198) 3.989 2.434 ( 0.431 -0.386 0.115) 0.590 2.526 ( 0.396 -7.360 -0.528) 7.390 2.629 ( -0.343 2.601 -1.856) 3.214 2.652 ( -2.262 -2.670 1.471) 3.796 2.687 ( 0.874 -2.314 -4.109) 4.796 2.745 ( 2.085 -5.906 1.272) 6.391 2.814 ( 3.162 -4.039 -0.634) 5.168 2.864 ( 1.317 0.956 -0.465) 1.693 2.884 ( -1.410 -2.264 0.075) 2.668 2.897 ( 0.805 -2.028 -0.904) 2.362 2.947 ( 0.076 -3.624 0.609) 3.675 2.970 ( -1.355 -1.960 2.787) 3.666 3.055 ( 1.605 2.658 -0.024) 3.105 3.085 ( 0.090 -3.529 -1.999) 4.057 3.113 ( 3.124 -1.251 2.246) 4.046 3.144 ( 0.749 -1.593 -0.235) 1.776 3.240 ( 1.314 -0.966 3.212) 3.603 3.274 ( 0.689 -2.510 -0.138) 2.607 3.290 ( -0.411 -3.544 -2.243) 4.214 3.347 ( 1.540 -6.099 0.302) 6.298 3.384 ( -0.458 0.065 -3.336) 3.368 3.450 ( 1.220 1.466 -1.479) 2.414 3.518 ( -0.502 -0.922 1.209) 1.601 3.553 ( 0.202 2.044 0.095) 2.056 3.568 ( 1.238 -1.232 0.714) 1.887 3.623 ( 1.496 -1.205 1.032) 2.180 3.631 ( 1.738 1.909 -1.877) 3.192 3.674 ( 2.132 1.166 -2.388) 3.407 3.724 ( -2.849 -0.868 -0.404) 3.005 3.747 ( 0.178 -1.825 0.340) 1.865 3.781 ( -0.996 1.924 -1.565) 2.672 3.832 ( -0.433 3.471 0.104) 3.499 3.863 ( 1.719 1.145 1.451) 2.524 3.886 ( 2.217 2.915 0.789) 3.747 4.032 ( 1.059 1.441 4.044) 4.422 4.078 ( -1.529 1.729 -4.065) 4.675 4.175 ( -2.614 1.783 -1.918) 3.700 4.199 ( -1.108 0.905 -1.158) 1.841 4.222 ( -0.656 0.004 4.069) 4.121 4.303 ( -1.176 2.487 -0.197) 2.758 4.351 ( -2.648 -2.885 -0.136) 3.919 4.439 ( 0.952 0.234 0.416) 1.065 4.521 ( -0.381 0.250 -2.164) 2.211 4.541 ( 1.729 3.690 2.259) 4.659 4.636 ( -0.624 -0.655 2.304) 2.475 4.707 ( -1.271 1.155 -2.154) 2.755 4.754 ( 0.907 -3.195 0.283) 3.333 4.796 ( 1.364 -4.611 -1.237) 4.965 4.826 ( -1.548 -0.002 2.831) 3.226 4.853 ( -2.645 0.805 -0.351) 2.787 4.866 ( -1.386 -0.026 1.696) 2.191 4.916 ( 0.233 2.466 -1.711) 3.010 4.957 ( -3.160 2.559 -2.991) 5.048 5.050 ( 0.562 2.357 0.241) 2.435 5.130 ( -2.249 -1.898 -0.198) 2.950 5.196 ( -3.175 -1.152 -1.725) 3.792 5.259 ( -4.158 -1.663 -1.052) 4.600 5.336 ( -3.169 3.089 1.085) 4.557 5.384 ( -1.895 2.487 0.589) 3.181 5.414 ( -0.520 2.842 -1.704) 3.354 5.445 ( 0.226 -2.020 4.020) 4.505 5.532 ( -3.167 0.356 4.720) 5.695 5.563 ( -1.659 -0.410 -2.740) 3.229 5.636 ( 0.971 1.458 -3.211) 3.657 5.675 ( 3.927 0.241 1.010) 4.061 5.732 ( 1.817 0.006 -0.357) 1.852 5.764 ( -0.962 -0.925 0.472) 1.416 5.837 ( 0.992 0.292 1.299) 1.660 5.847 ( 1.094 0.558 0.098) 1.232 5.867 ( 0.923 -1.752 2.361) 3.082 5.915 ( 0.310 1.349 -1.472) 2.020 5.954 ( 2.422 -0.804 -1.985) 3.233 5.981 ( -1.212 1.967 -0.736) 2.425 6.053 ( 1.099 -0.404 4.789) 4.930 6.067 ( 0.022 -1.396 0.242) 1.417 6.102 ( -1.792 0.831 -2.250) 2.994 6.156 ( 3.791 0.025 0.272) 3.801 6.169 ( 0.640 1.282 -0.361) 1.477 6.279 ( 1.892 -0.925 3.724) 4.278 6.388 ( 1.158 -0.250 -3.849) 4.028 6.623 ( -4.175 2.606 -0.620) 4.961 6.694 ( -3.275 1.800 -1.594) 4.063 6.970 ( -1.600 0.646 2.942) 3.411 7.088 ( 1.860 0.941 -3.202) 3.820 7.143 ( 0.769 -1.139 -0.168) 1.384 7.182 ( 3.543 0.480 0.750) 3.653 7.247 ( -0.037 3.193 1.312) 3.453 7.355 ( 1.137 -0.126 0.712) 1.348 7.424 ( 5.358 -0.560 3.308) 6.322 7.476 ( 5.381 -0.620 -3.444) 6.419 ======================= Grid point 58 (26/60) ======================= q-point: ( 0.29 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 13.034 3.671 -5.772) 14.720 1.095 ( 13.543 5.658 3.265) 15.036 1.122 ( 5.968 10.066 -13.248) 17.676 1.187 ( 12.728 1.467 11.540) 17.243 1.556 ( -0.328 0.229 -1.806) 1.850 1.658 ( -1.232 2.363 0.565) 2.725 1.693 ( 0.489 4.199 0.794) 4.301 1.823 ( -2.751 -2.544 -2.964) 4.778 1.887 ( -4.006 0.115 -0.782) 4.083 1.921 ( 8.678 -0.367 6.735) 10.991 1.970 ( -1.006 0.729 0.548) 1.357 2.057 ( -0.786 1.443 -0.696) 1.784 2.096 ( -5.895 -0.904 -0.711) 6.006 2.190 ( 0.883 -2.385 -0.750) 2.651 2.212 ( -0.337 -5.401 -0.399) 5.426 2.277 ( 1.751 -3.136 1.436) 3.868 2.314 ( -3.621 1.067 -0.466) 3.803 2.391 ( -0.313 -0.126 2.337) 2.362 2.436 ( 0.638 -0.933 -0.133) 1.139 2.536 ( -2.009 2.779 -1.418) 3.711 2.547 ( -1.067 -2.620 -3.349) 4.384 2.618 ( -0.393 -0.054 3.945) 3.965 2.698 ( -0.760 -5.363 -0.301) 5.425 2.802 ( 3.732 -3.385 0.646) 5.080 2.816 ( -1.536 -5.768 -3.032) 6.695 2.859 ( 3.791 -1.164 -1.869) 4.384 2.883 ( 1.042 -2.871 0.238) 3.064 2.921 ( 2.052 -3.359 0.007) 3.937 2.978 ( -0.610 -4.780 1.102) 4.943 3.023 ( 1.577 0.773 1.597) 2.374 3.038 ( 2.350 -4.407 1.871) 5.334 3.137 ( 1.736 -2.331 1.041) 3.087 3.156 ( 2.765 -1.381 -0.962) 3.237 3.190 ( -0.392 -2.634 1.020) 2.852 3.232 ( 0.208 -1.789 1.427) 2.298 3.267 ( -1.828 -2.731 -2.677) 4.239 3.314 ( 0.932 0.344 1.814) 2.068 3.356 ( 1.870 -2.769 -2.221) 4.012 3.385 ( 1.812 -3.439 0.626) 3.938 3.459 ( 0.675 -0.575 -0.834) 1.217 3.523 ( -0.665 -0.052 0.125) 0.679 3.559 ( 0.476 2.799 0.467) 2.878 3.581 ( -0.140 2.026 -1.073) 2.297 3.612 ( -0.896 0.403 -0.204) 1.003 3.650 ( -1.219 -0.878 0.924) 1.763 3.676 ( 1.524 -1.101 -1.642) 2.496 3.715 ( 1.438 -0.853 0.327) 1.704 3.742 ( 0.209 1.896 0.715) 2.037 3.788 ( 1.965 0.319 -0.010) 1.991 3.838 ( -0.148 3.055 0.964) 3.207 3.877 ( -1.095 1.112 0.406) 1.613 3.917 ( 0.685 3.476 0.072) 3.543 3.987 ( -3.954 2.734 -2.847) 5.587 4.047 ( -1.397 3.287 0.372) 3.591 4.103 ( -2.858 0.617 -1.406) 3.244 4.164 ( -0.290 -1.312 -1.729) 2.190 4.264 ( -1.431 4.673 -0.698) 4.937 4.316 ( 0.802 -2.638 1.174) 2.996 4.348 ( 2.645 -2.608 6.877) 7.816 4.427 ( -1.860 2.177 -0.096) 2.865 4.526 ( 1.734 -0.199 -0.640) 1.859 4.577 ( 0.537 3.155 1.261) 3.440 4.618 ( -1.578 0.673 -1.675) 2.397 4.662 ( -4.935 3.271 2.343) 6.368 4.684 ( -1.887 -0.450 -2.831) 3.432 4.716 ( -3.754 -3.422 -6.755) 8.452 4.819 ( -0.025 -3.439 0.964) 3.572 4.851 ( -1.919 -0.087 0.527) 1.992 4.894 ( 0.289 1.097 -1.734) 2.072 4.908 ( 1.569 -3.704 2.947) 4.987 4.979 ( 2.791 2.027 3.589) 4.978 5.018 ( -4.118 1.291 2.463) 4.970 5.083 ( -3.202 -0.123 -2.480) 4.052 5.145 ( -4.053 -2.330 0.886) 4.759 5.189 ( -0.672 2.144 0.004) 2.247 5.307 ( -1.277 2.579 1.168) 3.106 5.349 ( -1.224 1.063 0.392) 1.668 5.419 ( 1.020 2.676 -0.969) 3.023 5.451 ( -4.033 -3.000 -1.972) 5.399 5.461 ( -1.463 -1.564 1.102) 2.409 5.545 ( -2.871 0.719 3.450) 4.546 5.578 ( -0.883 1.793 -3.906) 4.388 5.725 ( -1.548 -1.042 -0.269) 1.886 5.759 ( 2.932 0.191 0.341) 2.958 5.792 ( 2.022 1.276 -0.010) 2.391 5.849 ( -0.663 3.627 0.906) 3.797 5.858 ( 0.065 -0.036 -0.887) 0.890 5.886 ( 2.399 -1.715 -1.437) 3.281 5.921 ( -0.928 0.109 -0.442) 1.033 5.964 ( 2.027 -0.615 1.829) 2.799 6.025 ( 2.538 0.914 0.390) 2.726 6.055 ( 1.235 0.250 -2.351) 2.667 6.061 ( -0.865 0.410 -0.084) 0.961 6.100 ( -0.466 -0.621 2.580) 2.695 6.184 ( 1.235 0.805 -0.502) 1.557 6.208 ( 1.914 2.105 -0.436) 2.878 6.329 ( 2.218 -2.683 0.258) 3.491 6.392 ( 1.677 -1.557 -1.773) 2.895 6.548 ( -3.481 2.315 0.116) 4.182 6.607 ( -4.691 1.291 0.406) 4.883 6.985 ( -0.212 0.809 2.129) 2.287 7.082 ( 1.731 3.490 -2.917) 4.867 7.159 ( 0.994 -1.407 0.143) 1.729 7.230 ( 2.232 1.043 -0.393) 2.495 7.287 ( 1.397 0.626 1.862) 2.410 7.394 ( 2.615 -0.664 -0.137) 2.702 7.542 ( 4.861 -2.295 0.118) 5.377 7.551 ( 4.742 -2.011 0.542) 5.179 ======================= Grid point 59 (27/60) ======================= q-point: ( 0.43 0.14 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 12.943 7.992 -8.194) 17.278 1.206 ( 12.283 3.023 -1.941) 12.797 1.342 ( 7.054 2.172 1.998) 7.646 1.411 ( -1.571 -0.504 0.388) 1.695 1.507 ( -2.551 0.785 5.068) 5.728 1.530 ( -9.690 2.547 2.452) 10.314 1.690 ( -1.473 -0.627 -0.276) 1.624 1.788 ( 0.252 -1.689 0.346) 1.743 1.815 ( -1.651 -1.045 -1.171) 2.278 1.888 ( -0.262 1.524 -3.162) 3.520 2.018 ( -3.184 5.184 -4.789) 7.742 2.045 ( -0.350 1.394 -1.118) 1.821 2.092 ( 4.838 -1.497 -0.355) 5.077 2.148 ( -1.949 -1.790 -4.600) 5.307 2.186 ( -1.763 1.258 -4.385) 4.891 2.279 ( 3.879 1.164 1.868) 4.460 2.308 ( -0.228 0.544 -3.065) 3.121 2.428 ( -0.309 -0.824 2.705) 2.844 2.447 ( -2.907 0.240 -3.522) 4.573 2.472 ( 2.758 -2.647 4.745) 6.094 2.597 ( 2.799 -0.774 6.707) 7.308 2.656 ( -1.278 -8.699 2.860) 9.246 2.712 ( 2.007 -0.708 0.573) 2.204 2.765 ( -1.583 -6.943 -1.075) 7.201 2.814 ( -2.767 -3.290 -1.248) 4.476 2.889 ( 2.099 -3.017 -0.378) 3.694 2.935 ( 2.309 -2.262 -2.366) 4.006 2.967 ( 1.540 -6.003 2.537) 6.697 2.982 ( -0.752 -6.464 2.138) 6.850 3.053 ( 0.488 -6.298 -1.589) 6.514 3.079 ( 1.067 3.724 -2.379) 4.546 3.110 ( -3.268 1.436 -2.158) 4.171 3.151 ( -1.509 -1.614 0.423) 2.250 3.196 ( 1.330 -1.883 0.019) 2.306 3.237 ( 0.862 -2.476 -0.650) 2.701 3.257 ( 0.714 -2.377 -0.595) 2.552 3.322 ( -0.196 -0.686 -0.578) 0.919 3.377 ( 0.302 -1.047 -1.095) 1.545 3.421 ( 1.852 0.223 -0.772) 2.019 3.467 ( 2.865 -3.627 2.746) 5.376 3.514 ( -0.330 1.544 1.249) 2.013 3.540 ( -0.554 2.484 -1.040) 2.749 3.581 ( -0.143 1.596 1.595) 2.261 3.614 ( -0.114 -1.709 1.536) 2.301 3.643 ( -0.066 -1.088 0.192) 1.107 3.703 ( 0.940 -1.167 -1.809) 2.349 3.731 ( -0.293 -0.407 2.862) 2.906 3.771 ( 0.786 1.027 1.358) 1.875 3.798 ( -0.257 2.813 -0.684) 2.907 3.841 ( -0.636 1.286 1.406) 2.009 3.856 ( -2.971 0.793 1.455) 3.401 3.912 ( 0.682 0.984 0.140) 1.205 3.945 ( 0.329 4.394 0.413) 4.425 4.031 ( 0.504 3.646 -1.099) 3.841 4.067 ( -0.151 2.007 -0.266) 2.030 4.144 ( -0.821 1.614 -1.601) 2.417 4.241 ( 0.546 1.053 -0.356) 1.239 4.337 ( 0.970 -1.201 0.632) 1.668 4.381 ( -3.052 0.978 -1.167) 3.411 4.428 ( -1.835 -0.089 1.430) 2.328 4.546 ( -0.420 1.760 -2.790) 3.325 4.563 ( -2.106 -2.011 0.013) 2.912 4.584 ( -2.330 1.076 1.865) 3.173 4.608 ( 0.716 1.327 0.303) 1.538 4.637 ( 1.036 1.533 4.561) 4.922 4.707 ( 5.098 -2.686 -2.128) 6.143 4.804 ( -1.884 -0.957 -0.263) 2.129 4.855 ( 0.554 -2.379 1.241) 2.740 4.886 ( -0.311 0.503 -2.103) 2.185 4.929 ( -0.433 -3.142 1.882) 3.688 4.991 ( -3.967 0.901 2.524) 4.788 5.012 ( -1.309 0.687 -0.280) 1.505 5.033 ( -0.155 1.256 3.608) 3.823 5.083 ( -1.974 0.514 -2.003) 2.859 5.201 ( 1.567 0.918 -0.011) 1.816 5.297 ( 0.018 2.514 -1.844) 3.118 5.316 ( -3.305 -0.298 -2.114) 3.934 5.341 ( -1.690 -0.650 -4.818) 5.147 5.460 ( 0.297 -1.424 2.254) 2.683 5.479 ( 1.827 -0.345 3.360) 3.840 5.514 ( -2.445 0.209 0.977) 2.642 5.566 ( 1.166 2.849 0.368) 3.101 5.698 ( -0.696 0.651 1.057) 1.423 5.795 ( 1.236 -0.605 -1.494) 2.031 5.809 ( 0.288 0.030 0.757) 0.811 5.831 ( -0.344 0.586 -0.451) 0.816 5.862 ( 0.553 -0.181 -1.715) 1.811 5.892 ( -0.869 -0.469 -0.387) 1.061 5.926 ( 1.528 -0.202 -0.252) 1.562 5.980 ( -1.039 0.303 1.472) 1.827 6.030 ( -0.869 1.352 1.037) 1.913 6.068 ( 1.222 0.632 -0.816) 1.600 6.096 ( 2.293 0.484 -0.198) 2.352 6.113 ( -0.061 0.973 1.059) 1.439 6.186 ( 0.334 0.853 -1.740) 1.967 6.210 ( -0.126 1.437 -1.021) 1.767 6.353 ( 0.389 -1.270 -1.990) 2.393 6.401 ( 1.678 -3.518 -0.393) 3.918 6.517 ( -0.810 1.820 1.369) 2.417 6.561 ( -2.340 0.925 1.739) 3.059 7.002 ( -0.592 0.907 1.881) 2.170 7.090 ( 2.105 3.199 -2.037) 4.338 7.174 ( -0.049 -1.060 1.062) 1.501 7.252 ( 1.303 1.234 -1.431) 2.296 7.318 ( -0.005 -0.646 1.675) 1.795 7.420 ( 1.034 -0.658 -1.623) 2.034 7.600 ( 2.369 -3.001 -0.449) 3.850 7.611 ( 0.854 -2.390 0.507) 2.588 ======================= Grid point 60 (28/60) ======================= q-point: (-0.43 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -13.117 3.152 -9.060) 16.250 1.186 ( -9.538 0.530 -2.060) 9.772 1.312 ( -0.330 1.623 0.998) 1.934 1.457 ( 8.708 4.481 2.214) 10.040 1.468 ( -2.032 2.453 2.360) 3.964 1.573 ( 4.342 3.338 6.195) 8.269 1.710 ( -1.911 -0.624 0.123) 2.014 1.809 ( -0.648 0.974 -1.103) 1.607 1.834 ( -0.064 1.793 -2.762) 3.293 1.854 ( 0.329 0.403 -3.555) 3.592 1.893 ( -1.645 2.150 -0.286) 2.722 2.030 ( -4.134 0.450 -3.549) 5.467 2.049 ( 4.619 2.463 -1.380) 5.413 2.098 ( -1.417 0.369 -3.716) 3.994 2.203 ( 3.456 -2.215 1.623) 4.413 2.231 ( -1.921 -1.583 -1.899) 3.131 2.317 ( -4.730 4.054 -3.908) 7.355 2.370 ( 4.014 -0.592 -1.846) 4.458 2.462 ( -2.126 -4.464 7.007) 8.576 2.607 ( 0.598 -3.666 1.654) 4.066 2.646 ( 0.056 -8.003 4.995) 9.434 2.679 ( -1.481 -3.653 -2.602) 4.723 2.737 ( 1.227 0.822 3.602) 3.893 2.751 ( 0.466 -5.542 -0.310) 5.571 2.785 ( 0.952 -4.275 -0.665) 4.430 2.868 ( -2.087 0.414 -2.581) 3.345 2.927 ( -0.360 -2.114 -0.567) 2.218 2.935 ( -4.042 -1.771 1.009) 4.527 2.976 ( -0.159 -7.135 -1.011) 7.208 3.027 ( 1.076 -0.310 0.174) 1.133 3.052 ( -1.342 -6.657 0.152) 6.793 3.097 ( 1.465 -5.796 -0.589) 6.007 3.154 ( 0.975 0.721 -1.306) 1.782 3.182 ( -1.475 0.289 -0.605) 1.620 3.233 ( -2.937 -0.167 -0.891) 3.073 3.280 ( 2.451 -0.888 1.478) 2.997 3.298 ( -1.252 -1.753 -0.041) 2.154 3.361 ( 3.225 -0.375 -4.024) 5.171 3.469 ( 1.703 0.280 -0.003) 1.726 3.504 ( 2.491 2.291 -2.001) 3.931 3.551 ( -2.530 -1.412 3.439) 4.497 3.571 ( -0.939 2.178 1.690) 2.912 3.596 ( 2.514 1.481 1.760) 3.407 3.622 ( -0.044 -1.308 -0.048) 1.310 3.649 ( 0.069 -2.518 1.759) 3.073 3.698 ( 1.902 -0.990 -1.650) 2.706 3.726 ( -3.209 -0.550 2.364) 4.023 3.777 ( -1.323 0.297 0.800) 1.575 3.793 ( -1.996 0.081 0.548) 2.072 3.836 ( -0.407 0.508 1.162) 1.332 3.843 ( -0.555 -0.644 1.623) 1.832 3.915 ( -0.802 1.443 -1.422) 2.178 3.990 ( 2.482 4.866 2.372) 5.956 4.045 ( 0.669 3.893 0.995) 4.074 4.092 ( 4.140 1.156 -2.484) 4.964 4.115 ( 1.990 5.267 -3.735) 6.757 4.234 ( -3.660 -0.859 0.023) 3.759 4.283 ( -1.817 0.682 -0.661) 2.050 4.357 ( -0.866 -0.282 2.626) 2.780 4.413 ( 0.771 0.645 -0.419) 1.089 4.499 ( -0.603 -0.817 -0.739) 1.256 4.583 ( 2.192 0.478 -0.888) 2.413 4.607 ( -0.221 -0.416 2.871) 2.910 4.660 ( 0.779 0.786 -0.086) 1.110 4.694 ( 1.911 1.083 3.391) 4.041 4.749 ( 2.001 -1.626 0.267) 2.592 4.819 ( 0.410 -0.937 -0.963) 1.405 4.837 ( -0.044 -1.554 -1.879) 2.438 4.850 ( 0.064 -1.533 0.539) 1.626 4.892 ( -4.213 1.398 -3.589) 5.708 4.977 ( 0.366 -1.407 1.922) 2.410 5.044 ( 2.467 -0.167 0.483) 2.520 5.049 ( 1.077 1.064 5.810) 6.004 5.101 ( 2.551 1.047 3.141) 4.180 5.233 ( 1.739 1.400 -0.955) 2.428 5.237 ( -0.174 1.258 -5.541) 5.685 5.266 ( -0.336 2.946 -0.817) 3.075 5.310 ( 2.228 -0.255 -3.335) 4.019 5.443 ( -2.972 -2.013 0.872) 3.694 5.520 ( -0.204 0.630 2.075) 2.178 5.541 ( 1.157 -0.271 0.829) 1.449 5.610 ( 3.593 0.732 1.793) 4.081 5.719 ( 0.643 -0.541 1.476) 1.699 5.782 ( 0.073 -1.263 -2.240) 2.573 5.802 ( -2.869 -0.811 -0.529) 3.028 5.833 ( 0.396 0.960 0.770) 1.293 5.841 ( -0.387 0.110 -0.946) 1.028 5.884 ( 0.613 -0.035 -0.698) 0.929 5.932 ( -2.076 0.641 -0.928) 2.362 5.964 ( 0.512 -0.220 1.050) 1.189 6.036 ( -4.296 1.656 0.501) 4.631 6.060 ( 1.245 0.919 1.281) 2.009 6.106 ( -0.001 0.976 -0.838) 1.287 6.128 ( 0.586 0.884 0.773) 1.312 6.166 ( -0.574 0.443 -1.429) 1.603 6.195 ( -0.172 1.050 -1.668) 1.978 6.342 ( -0.283 -2.543 0.485) 2.605 6.398 ( 0.100 -1.289 -2.798) 3.082 6.548 ( 0.320 1.120 1.618) 1.994 6.565 ( 2.476 1.082 1.610) 3.145 6.992 ( -2.853 1.749 1.596) 3.708 7.110 ( 2.569 -0.131 -2.090) 3.314 7.181 ( -0.943 1.118 2.074) 2.538 7.243 ( -0.002 1.570 -2.158) 2.669 7.325 ( -1.624 -1.116 2.495) 3.180 7.394 ( -1.269 -0.562 -2.404) 2.776 7.586 ( -3.518 -2.559 -0.179) 4.354 7.618 ( -0.319 -2.292 0.220) 2.324 ======================= Grid point 61 (29/60) ======================= q-point: (-0.29 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -15.666 8.688 -5.870) 18.851 0.868 ( -19.737 5.482 -1.198) 20.519 1.329 ( -3.311 1.136 -0.630) 3.556 1.456 ( -21.963 9.692 -0.808) 24.020 1.524 ( -0.132 2.003 1.864) 2.740 1.577 ( 4.938 0.784 -0.717) 5.051 1.672 ( -0.787 4.154 9.050) 9.989 1.756 ( 0.272 1.601 -3.890) 4.215 1.824 ( 1.080 0.422 2.149) 2.442 1.872 ( 1.178 -0.034 -1.960) 2.287 1.927 ( 6.519 -0.104 0.591) 6.546 1.950 ( -0.942 -0.967 -4.024) 4.245 2.056 ( 1.559 -0.069 1.025) 1.867 2.178 ( 3.171 -4.160 1.175) 5.361 2.218 ( 3.772 0.843 -0.101) 3.867 2.237 ( 1.768 2.281 -3.045) 4.195 2.316 ( 5.599 -1.499 2.392) 6.271 2.417 ( 2.361 -1.914 -0.370) 3.062 2.466 ( -3.663 -6.084 3.614) 7.968 2.573 ( -0.596 -3.637 -1.874) 4.135 2.612 ( -4.412 -5.375 0.066) 6.955 2.674 ( -0.378 -7.421 -0.958) 7.492 2.731 ( -2.453 -1.364 -3.673) 4.622 2.755 ( -1.827 -0.381 0.510) 1.935 2.770 ( 0.445 -2.467 0.132) 2.510 2.815 ( -1.271 -3.389 -0.318) 3.634 2.887 ( 0.672 -4.772 0.217) 4.824 2.945 ( -1.711 -5.161 2.118) 5.835 3.021 ( -1.625 -3.190 2.013) 4.107 3.059 ( 2.558 -2.616 1.203) 3.851 3.074 ( 2.392 -0.878 -0.778) 2.664 3.110 ( 1.381 -1.087 -0.952) 1.999 3.127 ( -4.457 1.008 0.455) 4.592 3.165 ( 1.096 1.199 1.837) 2.453 3.174 ( -3.361 -0.939 2.192) 4.121 3.286 ( 0.840 -3.734 -0.465) 3.856 3.332 ( 0.954 -0.313 0.787) 1.276 3.373 ( 1.221 2.739 -3.797) 4.839 3.446 ( -4.689 -1.554 -0.985) 5.037 3.498 ( -3.007 -0.976 -0.393) 3.185 3.519 ( -0.756 1.295 -0.057) 1.500 3.567 ( 1.822 -1.934 -1.555) 3.079 3.603 ( 0.605 -1.168 -0.519) 1.414 3.627 ( -0.908 -0.558 0.542) 1.195 3.681 ( -3.024 -0.390 2.080) 3.690 3.693 ( 2.459 0.351 -0.949) 2.659 3.744 ( -0.215 -0.053 1.508) 1.525 3.750 ( -0.007 0.361 0.700) 0.787 3.773 ( -0.654 1.157 -0.091) 1.332 3.822 ( 0.422 1.594 -0.959) 1.908 3.862 ( -0.200 0.229 -0.682) 0.747 3.875 ( -2.436 0.283 1.092) 2.685 3.966 ( -2.159 3.126 -2.651) 4.633 4.095 ( 2.644 3.191 1.046) 4.274 4.126 ( 2.049 2.504 -0.323) 3.251 4.152 ( 4.595 1.957 -4.211) 6.533 4.225 ( 2.233 2.103 1.436) 3.387 4.295 ( -1.033 -0.302 4.930) 5.046 4.365 ( -0.510 -1.861 1.571) 2.489 4.450 ( 1.727 0.896 1.220) 2.297 4.493 ( 0.927 1.505 -0.367) 1.805 4.587 ( -0.313 -2.868 -0.331) 2.904 4.614 ( -1.536 -0.122 -0.148) 1.548 4.619 ( -0.479 -0.184 -1.580) 1.661 4.699 ( -1.214 -0.924 -5.154) 5.375 4.765 ( -2.767 1.572 -0.724) 3.263 4.803 ( 1.620 -0.199 1.361) 2.125 4.827 ( 1.224 1.049 -0.769) 1.786 4.861 ( 3.585 -2.366 0.686) 4.350 4.939 ( 2.847 1.070 3.928) 4.967 5.015 ( 1.139 -4.577 0.848) 4.792 5.115 ( 2.214 0.183 0.481) 2.273 5.131 ( 3.870 0.811 -2.420) 4.636 5.162 ( 1.825 -0.457 5.863) 6.157 5.229 ( 1.890 3.620 0.172) 4.087 5.238 ( 3.814 0.448 -4.267) 5.741 5.286 ( 2.094 3.829 0.816) 4.440 5.337 ( 3.457 -0.374 0.033) 3.477 5.414 ( -0.766 -1.597 1.532) 2.342 5.511 ( -1.169 1.459 -0.607) 1.965 5.566 ( 1.141 -0.609 -1.995) 2.377 5.687 ( 2.880 -0.026 -0.035) 2.880 5.724 ( -3.322 -0.193 -0.052) 3.328 5.755 ( 0.477 -1.002 -2.869) 3.076 5.763 ( 0.606 -1.914 3.842) 4.335 5.798 ( -4.279 1.012 -0.286) 4.406 5.842 ( -0.110 1.565 0.010) 1.569 5.872 ( -0.288 0.399 -1.950) 2.011 5.905 ( -0.222 0.430 -0.726) 0.873 5.945 ( -4.694 1.508 1.600) 5.183 5.997 ( -0.344 0.732 1.632) 1.821 6.075 ( -1.437 2.209 -2.208) 3.438 6.092 ( 0.057 -0.539 1.855) 1.933 6.116 ( -1.980 1.203 -1.106) 2.567 6.158 ( 0.504 0.581 1.045) 1.297 6.178 ( -0.075 0.242 -1.025) 1.055 6.299 ( -4.404 -2.539 -0.561) 5.114 6.405 ( 2.366 -1.704 -0.568) 2.971 6.579 ( 2.588 0.769 -0.178) 2.706 6.644 ( 4.413 2.744 0.340) 5.208 6.951 ( -2.708 2.574 1.183) 3.919 7.114 ( -0.176 -2.656 -1.606) 3.109 7.177 ( -2.017 1.154 0.066) 2.324 7.228 ( 1.344 3.977 -0.758) 4.266 7.316 ( -2.956 -1.855 2.917) 4.549 7.341 ( -2.100 -0.461 -1.065) 2.400 7.496 ( -6.797 -3.283 0.630) 7.574 7.594 ( -2.679 -1.347 0.232) 3.007 ======================= Grid point 62 (30/60) ======================= q-point: (-0.14 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -13.153 15.027 2.010) 20.071 0.590 ( -9.810 16.829 10.546) 22.151 1.006 ( -26.290 18.702 8.655) 33.404 1.243 ( -0.791 4.258 -9.390) 10.341 1.454 ( -4.528 -1.181 -14.631) 15.361 1.635 ( 1.284 -2.515 5.230) 5.944 1.728 ( 2.598 0.201 3.708) 4.532 1.805 ( 0.413 3.826 7.216) 8.177 1.869 ( -1.231 -2.783 -3.643) 4.747 1.890 ( -2.514 -4.183 5.456) 7.320 1.921 ( 2.274 -2.192 2.617) 4.102 2.016 ( 4.552 -1.801 -1.290) 5.063 2.126 ( 5.873 1.815 -2.847) 6.774 2.221 ( 2.648 -2.946 3.390) 5.214 2.271 ( 3.826 0.468 -4.564) 5.973 2.332 ( 1.628 -2.485 0.695) 3.051 2.373 ( 2.676 -2.696 -1.314) 4.020 2.435 ( 1.211 -4.287 1.153) 4.601 2.488 ( -0.550 -3.128 1.535) 3.527 2.508 ( -4.479 -3.055 2.404) 5.931 2.563 ( 1.127 -0.062 1.338) 1.750 2.670 ( -2.310 -2.678 -3.789) 5.183 2.695 ( 2.041 -1.555 2.073) 3.299 2.713 ( 0.949 -1.128 -4.758) 4.982 2.775 ( -1.159 -5.306 0.277) 5.438 2.797 ( -1.038 -4.568 2.282) 5.211 2.893 ( 1.413 -1.925 -0.447) 2.429 2.960 ( -4.401 -0.892 -1.986) 4.910 2.980 ( -0.807 -2.994 -3.031) 4.336 3.013 ( -2.705 0.554 1.978) 3.397 3.041 ( -0.066 -3.329 -1.522) 3.661 3.084 ( -0.154 -1.035 0.069) 1.048 3.130 ( -2.850 1.735 0.204) 3.343 3.157 ( 0.055 -4.612 2.026) 5.038 3.232 ( -2.440 0.679 0.140) 2.537 3.266 ( -1.636 -2.778 -1.583) 3.592 3.317 ( 1.381 -0.870 1.254) 2.059 3.339 ( -0.549 -1.565 0.149) 1.666 3.412 ( -0.160 0.401 0.348) 0.555 3.466 ( -0.031 -2.932 -0.251) 2.943 3.521 ( -0.392 0.655 0.110) 0.771 3.541 ( -0.988 -0.610 -0.490) 1.260 3.586 ( -3.083 -0.550 -0.126) 3.134 3.632 ( 0.053 0.182 -1.643) 1.654 3.655 ( 0.225 -0.891 -1.513) 1.770 3.702 ( -0.815 -0.224 0.129) 0.855 3.734 ( -0.039 3.123 0.261) 3.134 3.767 ( -0.082 -0.361 -0.484) 0.610 3.777 ( 1.105 0.312 -0.588) 1.290 3.823 ( 0.318 0.489 -1.837) 1.927 3.848 ( 0.043 3.682 1.923) 4.154 3.857 ( -2.320 1.099 1.250) 2.855 3.944 ( 0.710 1.131 0.794) 1.554 4.119 ( 0.652 3.012 -0.865) 3.201 4.153 ( 0.969 -1.450 0.517) 1.819 4.197 ( 4.652 1.534 -1.800) 5.218 4.260 ( 0.594 4.448 -0.936) 4.584 4.334 ( 0.543 -1.142 3.119) 3.365 4.387 ( -0.554 -1.989 2.622) 3.338 4.424 ( -3.135 -3.237 -1.979) 4.922 4.488 ( -2.687 1.745 -1.449) 3.517 4.561 ( -0.659 0.265 1.184) 1.381 4.610 ( -0.834 1.181 -1.044) 1.784 4.647 ( 0.318 -1.795 2.147) 2.817 4.666 ( 6.385 -0.298 0.059) 6.392 4.756 ( 0.370 2.466 2.188) 3.317 4.816 ( -0.066 0.518 -1.188) 1.298 4.852 ( 1.775 0.632 0.787) 2.042 4.925 ( 1.980 -0.893 -0.194) 2.180 4.966 ( -0.724 -2.760 -1.968) 3.466 4.995 ( -2.198 -1.282 -1.492) 2.950 5.127 ( 2.714 -0.038 -3.525) 4.448 5.200 ( 2.602 -1.358 0.143) 2.939 5.241 ( 4.243 -0.039 0.664) 4.295 5.258 ( 2.925 1.233 0.069) 3.175 5.299 ( 2.881 0.456 0.499) 2.959 5.352 ( 3.812 4.118 0.751) 5.661 5.405 ( 1.283 -0.725 1.684) 2.237 5.459 ( -0.290 0.106 -0.469) 0.561 5.469 ( 0.903 -0.529 2.427) 2.643 5.533 ( -1.733 2.293 -1.796) 3.390 5.654 ( -3.584 -0.542 -1.197) 3.817 5.693 ( -2.822 0.617 -0.560) 2.943 5.743 ( 0.480 -0.147 -0.809) 0.952 5.761 ( 1.402 -0.483 1.073) 1.830 5.815 ( -0.151 -0.642 -0.166) 0.680 5.841 ( 0.232 -0.084 3.134) 3.144 5.866 ( -0.216 0.961 3.609) 3.741 5.880 ( 0.646 0.307 -0.583) 0.923 5.926 ( -1.226 0.448 -0.267) 1.332 5.976 ( -1.644 2.266 -0.671) 2.879 6.004 ( -3.508 2.968 -2.481) 5.222 6.081 ( -1.699 -0.182 1.391) 2.203 6.124 ( 1.262 -0.143 0.060) 1.271 6.165 ( -0.240 0.296 -0.632) 0.738 6.176 ( -0.109 0.477 1.241) 1.334 6.225 ( -3.723 0.151 0.907) 3.835 6.423 ( 1.186 -2.989 -2.209) 3.902 6.628 ( 3.661 2.967 -0.393) 4.729 6.696 ( 1.650 4.234 -1.163) 4.691 6.958 ( 1.739 1.773 2.409) 3.460 7.074 ( -2.941 -1.338 -0.448) 3.262 7.126 ( -1.742 0.395 -1.813) 2.545 7.255 ( 1.761 3.488 -1.982) 4.382 7.277 ( -3.343 -2.825 1.606) 4.662 7.318 ( -1.446 -0.019 2.081) 2.534 7.373 ( -8.510 -3.367 1.669) 9.303 7.533 ( -3.513 -0.443 -1.294) 3.770 ======================= Grid point 63 (31/60) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 1.742 18.408 2.732) 18.691 0.966 ( -4.793 17.036 4.564) 18.276 1.173 ( -0.414 5.775 -8.265) 10.091 1.320 ( 3.999 5.257 -7.216) 9.783 1.435 ( 0.759 20.182 14.188) 24.682 1.617 ( 2.994 -3.588 -0.926) 4.764 1.672 ( -2.737 -8.145 0.582) 8.612 1.765 ( 1.801 -4.474 -1.962) 5.207 1.781 ( 1.207 -3.402 3.787) 5.231 1.832 ( -2.907 -3.249 1.146) 4.508 1.941 ( -3.908 0.297 4.057) 5.641 2.000 ( -0.842 -8.283 -0.281) 8.330 2.139 ( 0.016 -2.058 1.421) 2.501 2.172 ( 5.962 -3.363 -1.769) 7.070 2.279 ( -1.318 -3.670 0.273) 3.909 2.337 ( 1.286 1.548 -3.448) 3.992 2.359 ( -3.431 2.720 -1.315) 4.572 2.407 ( 2.305 2.206 -0.947) 3.329 2.425 ( -2.533 0.216 1.869) 3.155 2.463 ( -3.605 -1.980 -2.169) 4.650 2.530 ( 3.259 -4.262 2.790) 6.047 2.569 ( -0.632 -1.760 0.851) 2.055 2.661 ( 1.982 -3.384 -0.640) 3.974 2.714 ( 0.632 -4.370 -1.318) 4.608 2.733 ( 0.293 -1.690 5.444) 5.707 2.742 ( -0.899 -1.557 -3.936) 4.327 2.788 ( -1.968 -5.320 -4.089) 6.992 2.889 ( 0.168 -2.522 3.035) 3.950 2.935 ( 0.457 -3.405 2.276) 4.121 2.965 ( 1.709 0.732 -0.046) 1.860 3.027 ( -3.490 -2.513 -3.189) 5.354 3.052 ( 2.375 0.148 1.868) 3.025 3.072 ( 0.820 -3.673 -1.502) 4.052 3.104 ( 0.648 0.422 -0.231) 0.807 3.140 ( 1.081 -2.254 1.039) 2.707 3.209 ( 0.092 -1.764 -1.486) 2.308 3.282 ( -1.037 -1.273 -1.387) 2.149 3.315 ( -1.350 -2.310 -3.054) 4.060 3.407 ( -1.431 0.478 -3.334) 3.660 3.431 ( 3.054 -1.365 -2.443) 4.143 3.512 ( -1.928 -1.349 2.625) 3.525 3.524 ( -2.076 -1.692 1.864) 3.262 3.548 ( 0.050 -0.699 1.950) 2.072 3.593 ( -0.336 -0.316 0.100) 0.472 3.641 ( 0.587 0.692 -1.235) 1.533 3.681 ( 0.844 -1.785 2.102) 2.883 3.716 ( -0.441 0.241 -2.485) 2.535 3.762 ( -0.255 -0.305 -2.636) 2.666 3.837 ( 0.073 1.145 1.118) 1.602 3.870 ( -1.789 1.224 1.205) 2.480 3.884 ( 0.984 1.843 -0.814) 2.243 3.920 ( 1.216 3.807 -0.037) 3.997 4.023 ( 0.699 3.919 2.418) 4.658 4.157 ( 0.515 -0.781 1.848) 2.071 4.160 ( 0.739 3.080 -2.245) 3.882 4.234 ( -0.555 -0.028 -2.590) 2.649 4.290 ( -1.447 -0.979 -0.268) 1.768 4.325 ( 0.364 -1.623 -2.245) 2.794 4.355 ( 1.876 -0.127 0.788) 2.039 4.399 ( -1.039 2.157 0.144) 2.399 4.527 ( 0.883 1.319 1.726) 2.345 4.580 ( -2.047 -1.825 -0.769) 2.848 4.596 ( 0.788 0.834 3.423) 3.610 4.644 ( 0.949 0.699 3.091) 3.308 4.735 ( 0.504 -3.119 -0.231) 3.168 4.776 ( -0.571 -0.855 -1.823) 2.093 4.830 ( 1.946 -0.117 1.984) 2.782 4.864 ( -2.047 0.571 0.363) 2.156 4.916 ( -2.027 3.025 0.597) 3.690 4.961 ( 3.269 -0.264 -1.451) 3.587 5.005 ( 2.529 1.582 0.126) 2.985 5.112 ( -0.902 -0.605 -3.377) 3.547 5.148 ( -2.225 0.144 -0.132) 2.234 5.245 ( -0.118 0.019 -5.861) 5.863 5.333 ( 0.367 0.945 3.254) 3.408 5.351 ( -1.596 0.863 0.437) 1.866 5.384 ( -0.830 -1.545 1.974) 2.641 5.448 ( 0.051 0.925 -0.254) 0.961 5.471 ( -1.407 -0.543 2.500) 2.920 5.512 ( 3.751 -0.487 0.414) 3.805 5.574 ( -1.755 4.352 3.036) 5.588 5.628 ( 1.773 1.534 0.257) 2.359 5.687 ( -1.016 0.446 0.373) 1.171 5.715 ( 1.255 0.386 -2.494) 2.819 5.755 ( 0.212 -2.409 -0.110) 2.421 5.785 ( -1.590 -2.793 -1.348) 3.485 5.843 ( 0.766 1.240 -0.090) 1.460 5.878 ( -1.369 0.404 2.570) 2.940 5.890 ( 0.015 -0.584 -1.344) 1.465 5.953 ( -0.511 -0.773 2.727) 2.880 5.980 ( 0.327 0.795 0.839) 1.201 6.033 ( 1.590 1.070 -0.085) 1.918 6.057 ( -1.521 1.659 0.326) 2.274 6.107 ( 0.140 -0.402 -1.123) 1.201 6.155 ( -1.149 0.296 -0.355) 1.238 6.198 ( 0.253 0.740 -1.125) 1.370 6.268 ( 0.425 3.165 2.390) 3.989 6.378 ( 1.301 -1.322 -1.745) 2.547 6.763 ( 0.630 3.753 -0.910) 3.913 6.775 ( -0.303 4.509 -0.781) 4.587 7.011 ( -1.887 1.469 0.378) 2.421 7.055 ( 2.099 -0.567 0.044) 2.175 7.116 ( 1.304 1.083 0.353) 1.731 7.167 ( -2.407 -0.581 0.040) 2.477 7.313 ( -1.588 1.241 1.775) 2.685 7.335 ( 1.283 0.671 1.910) 2.397 7.369 ( 0.463 3.372 -0.533) 3.445 7.474 ( 0.110 0.429 -3.517) 3.545 ======================= Grid point 64 (32/60) ======================= q-point: ( 0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 8.950 11.838 6.168) 16.071 0.982 ( 4.213 11.616 1.050) 12.401 1.131 ( 4.351 13.676 -2.103) 14.505 1.361 ( 9.090 6.909 -8.645) 14.321 1.623 ( -2.372 -2.578 -0.691) 3.570 1.671 ( 5.151 0.083 4.112) 6.591 1.691 ( 4.683 2.421 1.418) 5.459 1.729 ( 0.841 0.790 -1.417) 1.827 1.786 ( -2.022 1.528 4.650) 5.296 1.871 ( 3.438 -2.684 1.212) 4.528 1.943 ( -1.871 -7.755 0.785) 8.016 2.013 ( 3.592 -8.235 3.040) 9.485 2.112 ( -4.458 2.850 -0.338) 5.302 2.172 ( -2.070 -1.870 -3.198) 4.244 2.223 ( -6.073 0.175 3.535) 7.029 2.249 ( -1.738 -1.949 -1.659) 3.094 2.309 ( -2.950 0.785 -2.264) 3.800 2.399 ( 2.398 -3.576 -0.395) 4.323 2.443 ( -0.796 2.987 1.322) 3.361 2.493 ( 3.230 4.531 -1.236) 5.700 2.570 ( 1.090 -4.508 -0.218) 4.643 2.584 ( -2.210 -5.273 4.959) 7.568 2.672 ( 0.160 0.309 -2.183) 2.211 2.680 ( -1.341 -4.210 -1.842) 4.787 2.710 ( 1.232 -3.736 1.077) 4.079 2.738 ( 1.645 -7.705 -1.296) 7.985 2.833 ( -0.516 -7.254 4.010) 8.304 2.876 ( -2.279 -0.200 4.103) 4.698 2.926 ( 0.646 1.073 -3.597) 3.809 2.960 ( 0.045 1.229 -1.895) 2.259 3.025 ( 0.836 -3.180 -2.079) 3.890 3.061 ( 2.507 0.153 -0.958) 2.688 3.094 ( 1.540 -2.795 -1.616) 3.577 3.133 ( -1.687 -1.434 0.132) 2.219 3.174 ( 0.670 -3.111 1.063) 3.355 3.220 ( 0.841 -2.403 -3.226) 4.110 3.249 ( 2.725 -1.425 1.761) 3.544 3.272 ( 1.459 -1.852 -1.215) 2.652 3.374 ( -0.015 -0.419 -1.087) 1.165 3.451 ( 1.360 -0.902 -2.163) 2.709 3.506 ( -0.063 -1.031 1.129) 1.530 3.524 ( 0.517 -1.006 2.561) 2.800 3.563 ( -0.410 -2.382 -0.595) 2.489 3.613 ( -0.338 -0.064 3.979) 3.993 3.661 ( 2.445 0.127 -2.700) 3.645 3.686 ( 0.379 -0.257 -0.024) 0.458 3.706 ( -0.293 0.538 -2.947) 3.010 3.736 ( 1.586 0.324 0.710) 1.768 3.843 ( -1.731 2.187 -0.337) 2.809 3.854 ( -0.574 -0.549 1.961) 2.116 3.890 ( 0.076 2.046 0.312) 2.071 3.944 ( 1.651 1.759 0.117) 2.415 4.079 ( 1.732 3.497 2.951) 4.893 4.126 ( -0.301 3.090 -4.203) 5.225 4.183 ( -0.189 -0.047 0.641) 0.670 4.200 ( -1.585 0.715 -0.841) 1.931 4.239 ( -2.014 0.621 -0.368) 2.140 4.297 ( -1.393 -2.035 -0.205) 2.475 4.357 ( -1.787 1.702 -1.394) 2.834 4.426 ( 3.606 -1.294 0.441) 3.857 4.530 ( -1.530 0.515 0.625) 1.732 4.591 ( 1.982 -0.159 1.314) 2.383 4.638 ( 0.198 1.293 2.256) 2.608 4.685 ( -2.195 -2.668 -0.417) 3.480 4.724 ( 0.976 -2.195 1.068) 2.629 4.738 ( -0.084 0.498 -2.835) 2.880 4.814 ( -3.497 0.124 1.787) 3.929 4.865 ( -2.196 1.008 0.085) 2.417 4.894 ( -0.516 2.366 0.840) 2.563 4.974 ( 0.259 1.778 -1.915) 2.626 5.007 ( -2.910 1.714 -2.736) 4.347 5.066 ( -0.640 0.265 0.124) 0.703 5.107 ( -0.643 -0.181 0.257) 0.716 5.166 ( -3.600 -0.415 -2.067) 4.172 5.272 ( -4.455 1.828 -0.193) 4.820 5.352 ( -2.076 -0.633 1.228) 2.494 5.376 ( -3.734 -2.380 3.812) 5.843 5.446 ( -2.629 1.376 0.639) 3.035 5.467 ( 2.078 0.742 -1.061) 2.449 5.520 ( -2.395 -1.396 -0.842) 2.897 5.585 ( -3.143 2.613 1.990) 4.546 5.651 ( 0.394 0.221 -0.919) 1.024 5.701 ( 2.517 1.573 1.180) 3.194 5.713 ( 0.554 -0.258 -1.234) 1.377 5.755 ( 2.909 -0.296 -1.099) 3.124 5.809 ( 2.593 -2.443 0.153) 3.566 5.847 ( 0.803 0.524 0.290) 1.002 5.882 ( 1.738 1.280 0.197) 2.168 5.930 ( -0.734 -0.194 0.316) 0.823 5.946 ( 2.173 -0.025 2.092) 3.016 6.022 ( -1.527 -0.889 1.055) 2.058 6.035 ( 0.852 1.211 0.351) 1.522 6.050 ( 1.180 0.412 0.881) 1.529 6.116 ( -1.182 -0.220 -0.614) 1.350 6.141 ( 2.925 0.042 -1.620) 3.344 6.200 ( 1.259 1.235 -0.071) 1.765 6.296 ( -0.429 2.050 1.818) 2.773 6.376 ( 1.177 -0.722 -2.152) 2.557 6.689 ( -5.421 3.746 -0.640) 6.621 6.738 ( -4.477 2.306 -1.120) 5.159 6.999 ( -0.451 1.964 1.382) 2.443 7.078 ( 1.580 -1.210 -1.104) 2.276 7.160 ( 2.677 1.998 -0.689) 3.411 7.194 ( 3.867 0.716 1.365) 4.163 7.309 ( -0.570 2.827 0.926) 3.028 7.359 ( -0.092 0.962 -0.085) 0.970 7.410 ( 3.642 -0.792 2.686) 4.594 7.467 ( 3.346 -0.388 -3.641) 4.960 ======================= Grid point 65 (33/60) ======================= q-point: ( 0.29 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.097 ( 12.037 10.261 -3.346) 16.167 1.211 ( 6.607 6.371 6.012) 10.972 1.280 ( 11.023 9.407 4.489) 15.171 1.376 ( 4.070 14.059 -8.404) 16.877 1.576 ( -1.272 1.734 -0.885) 2.326 1.671 ( -3.710 -1.583 1.409) 4.273 1.736 ( -1.230 -2.963 -0.916) 3.336 1.782 ( -0.378 0.148 1.498) 1.552 1.812 ( 2.649 -6.526 -1.194) 7.144 1.923 ( -0.850 2.333 -1.389) 2.845 1.954 ( 6.659 -4.978 -3.663) 9.085 2.023 ( -1.917 -4.901 -1.274) 5.415 2.062 ( -0.844 -1.592 0.750) 1.952 2.150 ( -0.353 -0.773 -0.811) 1.175 2.222 ( 1.340 -1.566 2.700) 3.397 2.239 ( 1.443 4.507 2.989) 5.597 2.309 ( 0.859 -0.353 6.069) 6.140 2.393 ( -0.938 1.266 -2.577) 3.020 2.430 ( -1.044 -3.435 -1.397) 3.852 2.502 ( -0.664 0.985 -1.525) 1.933 2.539 ( -4.773 -4.157 -1.170) 6.437 2.552 ( -0.903 -4.776 0.248) 4.867 2.656 ( -0.540 0.693 -0.761) 1.162 2.716 ( 4.752 -4.509 4.061) 7.707 2.741 ( 2.010 -5.552 -2.133) 6.278 2.757 ( -3.837 -3.765 -1.291) 5.528 2.816 ( 3.379 -2.834 0.493) 4.438 2.874 ( -3.122 -0.086 -1.311) 3.387 2.941 ( -0.536 -1.331 -3.042) 3.363 2.952 ( 1.156 -5.187 6.640) 8.505 3.007 ( 1.834 -1.388 0.117) 2.303 3.078 ( -0.460 -3.375 -4.297) 5.483 3.106 ( 3.511 -1.188 -0.748) 3.781 3.142 ( 1.037 -3.363 3.066) 4.668 3.167 ( 0.626 -3.724 -1.688) 4.137 3.248 ( 1.706 -1.078 -0.040) 2.018 3.289 ( 1.842 -2.091 1.592) 3.209 3.315 ( -1.205 -0.564 3.002) 3.283 3.385 ( 2.897 1.862 -1.204) 3.648 3.449 ( 0.112 -0.718 -0.945) 1.192 3.534 ( -0.092 0.790 1.657) 1.838 3.558 ( 1.259 -1.790 1.190) 2.491 3.573 ( 1.581 -1.425 0.738) 2.252 3.609 ( -0.911 0.377 -0.413) 1.069 3.657 ( 1.614 -0.638 -2.583) 3.112 3.689 ( -0.505 -1.730 0.171) 1.810 3.703 ( 0.184 3.295 -1.671) 3.699 3.777 ( 1.090 1.433 1.244) 2.188 3.808 ( -0.067 1.390 0.554) 1.498 3.872 ( -0.171 -0.617 1.687) 1.804 3.886 ( -1.456 1.064 1.078) 2.101 3.970 ( 1.111 1.265 -0.657) 1.807 4.068 ( -0.735 4.644 -4.121) 6.252 4.121 ( 0.159 4.066 1.674) 4.400 4.130 ( -2.994 1.785 -2.758) 4.445 4.161 ( -0.759 1.858 -0.866) 2.186 4.260 ( 0.604 -2.242 1.640) 2.843 4.288 ( -1.129 -1.122 2.339) 2.830 4.352 ( 2.029 1.506 2.198) 3.349 4.450 ( -0.753 0.229 -1.426) 1.629 4.521 ( -0.472 -0.249 1.242) 1.352 4.611 ( -0.443 -3.312 -2.175) 3.986 4.628 ( -1.831 0.732 -0.073) 1.973 4.656 ( 0.850 -1.163 -3.093) 3.412 4.672 ( -1.290 1.011 -2.980) 3.401 4.742 ( -2.302 3.473 2.817) 5.030 4.791 ( -1.352 -0.000 0.111) 1.357 4.824 ( -3.012 -2.482 1.644) 4.235 4.852 ( -1.247 -0.309 -1.175) 1.741 4.937 ( -2.765 2.428 0.191) 3.684 5.003 ( 3.318 0.888 -0.702) 3.506 5.030 ( -3.003 -0.158 1.787) 3.498 5.084 ( -3.705 -0.384 -0.934) 3.840 5.116 ( -1.358 0.093 0.894) 1.628 5.212 ( -2.779 1.006 0.789) 3.059 5.319 ( -2.979 -1.920 1.785) 3.969 5.356 ( -1.617 -1.485 0.675) 2.297 5.386 ( -4.023 -2.241 0.418) 4.624 5.466 ( -0.169 1.765 -2.405) 2.988 5.483 ( 0.267 3.155 -1.215) 3.391 5.560 ( -2.278 1.154 2.269) 3.416 5.614 ( -1.014 0.939 -0.871) 1.634 5.708 ( 0.578 -0.651 -0.418) 0.965 5.761 ( 1.101 0.620 -0.119) 1.270 5.794 ( 0.436 -1.107 0.183) 1.204 5.824 ( 1.521 -1.609 -0.943) 2.407 5.859 ( 1.873 -0.778 -1.674) 2.630 5.914 ( -0.078 -0.727 -0.429) 0.847 5.940 ( -1.558 3.630 1.527) 4.235 5.988 ( 1.622 2.895 1.968) 3.858 6.039 ( 1.967 0.258 0.562) 2.062 6.053 ( 0.740 -0.255 0.240) 0.819 6.082 ( 0.119 -0.992 1.930) 2.173 6.085 ( 0.752 1.656 -0.871) 2.016 6.190 ( 3.564 -0.406 -1.075) 3.745 6.240 ( 3.065 0.325 0.417) 3.110 6.290 ( -1.123 0.053 0.382) 1.187 6.366 ( 0.554 -1.261 -3.534) 3.793 6.594 ( -4.438 2.462 -0.182) 5.078 6.642 ( -5.456 1.756 1.158) 5.847 7.012 ( 0.320 1.628 0.890) 1.882 7.090 ( 0.925 -1.582 -0.926) 2.053 7.202 ( 2.912 4.443 -1.022) 5.410 7.260 ( 1.643 2.066 1.387) 2.982 7.313 ( 0.241 2.280 0.510) 2.349 7.379 ( 2.025 -0.716 -0.056) 2.148 7.490 ( 3.847 -2.924 -1.396) 5.029 7.507 ( 2.989 -2.571 0.984) 4.064 ======================= Grid point 66 (34/60) ======================= q-point: ( 0.43 0.29 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 7.349 6.760 -3.992) 10.754 1.312 ( 8.851 6.940 -3.769) 11.862 1.389 ( 1.303 6.031 -2.058) 6.504 1.456 ( 0.280 5.243 2.852) 5.975 1.557 ( -3.159 5.259 2.552) 6.645 1.617 ( -0.890 4.535 4.152) 6.213 1.679 ( -3.120 -0.787 0.919) 3.346 1.762 ( -0.325 -0.861 1.369) 1.649 1.814 ( -3.982 1.288 1.906) 4.599 1.918 ( 3.843 1.077 -5.068) 6.451 1.956 ( 1.999 -8.359 -2.104) 8.848 2.043 ( 6.159 -1.651 -2.233) 6.756 2.085 ( 2.084 -0.959 -1.952) 3.012 2.148 ( -1.269 0.206 -1.943) 2.330 2.237 ( -7.833 3.474 -3.222) 9.155 2.294 ( 0.317 -2.050 -2.156) 2.991 2.318 ( 1.187 2.164 2.300) 3.374 2.364 ( 2.250 -7.089 -0.662) 7.467 2.397 ( -6.492 -1.978 1.271) 6.904 2.433 ( 2.962 -3.307 -0.969) 4.544 2.491 ( -0.474 -6.669 0.791) 6.733 2.631 ( 4.816 -0.448 0.436) 4.857 2.640 ( 0.879 -2.500 -1.289) 2.947 2.686 ( -1.662 -3.244 0.092) 3.646 2.711 ( -0.742 -5.840 -2.610) 6.440 2.827 ( -2.499 -3.154 3.505) 5.337 2.841 ( 2.669 -1.968 0.867) 3.428 2.872 ( 0.628 -3.346 -0.481) 3.438 2.920 ( 0.567 -2.439 0.178) 2.510 2.956 ( -2.625 -3.086 -0.644) 4.102 3.040 ( -0.425 -5.042 -0.468) 5.082 3.083 ( 0.480 -4.020 0.778) 4.123 3.129 ( 1.973 -3.230 0.406) 3.807 3.149 ( 0.360 -2.554 -0.134) 2.582 3.204 ( 1.611 -0.366 1.023) 1.944 3.277 ( 2.316 2.813 0.935) 3.762 3.303 ( -2.814 0.405 0.497) 2.886 3.341 ( -0.466 -1.856 0.969) 2.145 3.375 ( -0.796 -2.786 -0.329) 2.917 3.490 ( 6.130 3.036 0.172) 6.843 3.549 ( 0.034 1.073 2.416) 2.644 3.552 ( -1.031 -1.536 -1.467) 2.360 3.599 ( -1.932 1.790 -0.695) 2.724 3.611 ( 0.771 0.344 0.296) 0.895 3.635 ( -0.708 0.463 1.274) 1.529 3.681 ( 2.374 -0.811 -2.620) 3.627 3.725 ( 0.997 -0.314 1.390) 1.739 3.788 ( -1.072 1.288 1.315) 2.130 3.834 ( -0.722 -1.665 0.464) 1.873 3.858 ( -0.174 2.846 -0.785) 2.958 3.878 ( -2.591 0.884 2.476) 3.691 3.956 ( -0.745 2.818 -0.685) 2.994 4.037 ( 1.970 4.754 -2.067) 5.545 4.086 ( 0.284 2.057 -0.331) 2.103 4.135 ( -0.235 4.661 0.263) 4.674 4.163 ( 1.468 0.992 -0.225) 1.786 4.259 ( -2.388 0.191 1.534) 2.845 4.303 ( 1.500 -1.831 1.337) 2.718 4.391 ( -2.752 0.311 -2.642) 3.827 4.426 ( -0.361 -0.621 1.414) 1.586 4.504 ( -1.358 -2.455 -2.056) 3.478 4.555 ( -0.478 -1.464 1.173) 1.936 4.615 ( 1.864 2.328 -3.089) 4.293 4.654 ( 1.825 0.364 0.532) 1.936 4.687 ( 0.930 2.058 0.999) 2.469 4.696 ( -0.602 3.431 0.908) 3.600 4.784 ( -2.171 -0.803 1.031) 2.534 4.796 ( -0.700 -3.823 0.570) 3.928 4.868 ( 0.497 -2.591 0.382) 2.666 4.897 ( -1.747 0.839 1.726) 2.595 5.000 ( -2.912 1.395 0.491) 3.266 5.017 ( 0.749 0.513 -1.071) 1.404 5.062 ( 1.023 -1.746 0.198) 2.034 5.087 ( -2.765 1.611 1.634) 3.593 5.187 ( -0.946 -1.264 0.472) 1.648 5.289 ( -1.581 -1.911 0.219) 2.490 5.326 ( -2.434 -1.708 -0.431) 3.004 5.337 ( -0.268 0.113 -0.580) 0.649 5.448 ( -0.191 1.022 -0.865) 1.352 5.497 ( 1.877 1.774 -0.364) 2.608 5.541 ( -1.678 2.283 1.393) 3.158 5.607 ( 0.083 0.968 -0.203) 0.993 5.714 ( -0.113 0.819 0.708) 1.088 5.766 ( 0.622 -1.223 -0.787) 1.582 5.782 ( 0.240 -1.792 -0.560) 1.893 5.842 ( -0.253 -0.051 0.131) 0.289 5.872 ( 1.822 -0.275 -2.810) 3.360 5.881 ( -0.806 0.110 -0.840) 1.170 5.935 ( -0.557 1.230 -0.707) 1.524 5.993 ( -2.024 0.635 1.031) 2.359 6.040 ( 0.467 -0.044 0.793) 0.921 6.084 ( -1.071 -0.206 2.433) 2.667 6.100 ( 1.965 1.486 1.039) 2.674 6.155 ( 3.387 2.671 0.277) 4.323 6.204 ( -0.582 0.647 -0.911) 1.259 6.244 ( -0.723 2.008 -1.984) 2.914 6.318 ( -0.651 -2.828 -2.918) 4.115 6.335 ( 3.590 -2.355 0.046) 4.294 6.549 ( -1.010 1.651 1.115) 2.233 6.587 ( -3.042 1.322 1.853) 3.799 7.026 ( 0.138 1.233 0.825) 1.490 7.089 ( 0.301 -1.791 -1.102) 2.125 7.237 ( 1.461 5.856 0.478) 6.055 7.285 ( 0.469 2.647 0.138) 2.692 7.321 ( -0.245 0.981 0.633) 1.193 7.400 ( 0.907 -1.219 -1.446) 2.098 7.533 ( 2.610 -3.779 -0.688) 4.644 7.549 ( 0.220 -3.932 0.667) 3.994 ======================= Grid point 67 (35/60) ======================= q-point: (-0.43 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -9.504 5.943 -4.026) 11.910 1.282 ( -6.961 8.012 -2.719) 10.957 1.392 ( -3.015 6.160 -0.411) 6.871 1.519 ( 7.798 1.558 0.666) 7.980 1.538 ( -1.089 4.325 1.068) 4.586 1.657 ( 1.343 4.854 4.312) 6.630 1.696 ( 0.639 0.719 4.407) 4.511 1.800 ( 2.260 -2.301 -0.571) 3.275 1.864 ( 3.553 -0.447 0.637) 3.637 1.881 ( -1.541 2.941 -2.574) 4.201 1.984 ( -4.891 6.586 -4.957) 9.585 2.031 ( -0.021 -0.182 -3.398) 3.403 2.070 ( -1.137 -0.514 -0.467) 1.332 2.098 ( -1.794 -1.993 -2.595) 3.731 2.138 ( 4.369 -2.989 1.524) 5.509 2.197 ( -3.452 -1.097 -2.553) 4.431 2.303 ( -0.973 -4.440 -1.613) 4.824 2.380 ( -1.058 -2.472 1.890) 3.287 2.417 ( 1.986 -2.102 -0.258) 2.903 2.467 ( 1.320 -7.493 1.195) 7.701 2.537 ( 0.385 -0.037 1.217) 1.277 2.567 ( -2.347 -7.163 -5.178) 9.145 2.639 ( -2.045 -4.835 2.780) 5.941 2.680 ( -0.101 -7.583 -1.723) 7.777 2.724 ( 1.259 -3.525 -0.044) 3.743 2.799 ( -1.322 -4.212 -4.355) 6.202 2.848 ( -0.776 -2.167 2.013) 3.058 2.887 ( -1.582 -2.495 -0.306) 2.970 2.949 ( -1.561 -1.700 3.995) 4.614 2.983 ( 4.148 1.163 6.440) 7.748 2.991 ( -0.236 -3.912 -1.276) 4.122 3.061 ( -1.373 0.907 -2.851) 3.292 3.133 ( 0.331 -2.733 0.650) 2.828 3.178 ( 0.350 -0.565 -0.157) 0.683 3.223 ( 0.065 -0.325 -1.776) 1.806 3.264 ( -4.045 -0.575 0.454) 4.111 3.283 ( 1.739 1.160 0.849) 2.256 3.343 ( 3.829 -0.926 -2.428) 4.628 3.430 ( 0.663 -4.057 4.531) 6.118 3.498 ( -3.189 -2.890 -1.248) 4.481 3.548 ( -0.583 0.022 0.074) 0.588 3.575 ( -0.582 -0.324 -0.670) 0.945 3.603 ( 2.559 0.711 0.353) 2.679 3.625 ( -1.859 0.778 0.781) 2.161 3.638 ( 2.482 0.810 0.660) 2.693 3.697 ( 2.726 0.566 -1.836) 3.335 3.725 ( -2.813 -0.173 2.831) 3.995 3.782 ( -1.983 -0.042 -1.173) 2.304 3.797 ( -0.303 -0.120 2.077) 2.102 3.842 ( -3.126 2.507 1.197) 4.181 3.868 ( -0.497 1.066 1.065) 1.587 3.942 ( 0.041 0.982 -2.578) 2.759 4.086 ( 1.434 4.024 -0.041) 4.272 4.111 ( 0.485 3.163 -0.004) 3.200 4.124 ( 3.486 2.598 -0.757) 4.413 4.196 ( 3.348 2.798 -0.916) 4.459 4.243 ( -3.314 1.917 2.518) 4.582 4.290 ( -1.597 0.174 -2.202) 2.726 4.339 ( -1.319 -1.374 2.613) 3.234 4.418 ( 2.091 -0.842 -1.329) 2.617 4.486 ( -0.330 -0.297 0.396) 0.595 4.572 ( 0.242 -1.584 -1.100) 1.944 4.631 ( 1.568 2.318 -0.264) 2.811 4.654 ( -0.999 -0.477 -3.359) 3.537 4.706 ( 0.290 -0.159 2.529) 2.551 4.765 ( 1.562 0.942 1.647) 2.458 4.787 ( 0.416 0.021 -0.189) 0.458 4.809 ( -0.114 -1.835 -0.299) 1.863 4.817 ( 1.802 -1.207 2.785) 3.530 4.922 ( -0.969 1.437 -1.373) 2.211 4.975 ( -0.138 0.794 0.919) 1.222 5.026 ( 2.008 -1.158 0.129) 2.322 5.072 ( 1.865 1.180 2.460) 3.305 5.106 ( 1.271 -0.743 1.458) 2.072 5.190 ( 1.268 -1.509 -1.016) 2.217 5.275 ( 0.113 -0.931 -0.531) 1.077 5.301 ( -0.673 1.307 0.167) 1.480 5.339 ( 1.873 1.108 -1.170) 2.471 5.427 ( -1.404 0.665 -0.341) 1.591 5.515 ( 1.390 -1.460 -1.664) 2.614 5.551 ( -0.503 1.641 2.342) 2.903 5.616 ( 1.998 0.017 0.812) 2.157 5.721 ( -0.132 0.349 0.773) 0.858 5.752 ( 0.267 -0.239 -1.774) 1.809 5.794 ( -2.581 -0.859 -0.328) 2.740 5.830 ( 1.738 -0.820 0.038) 1.922 5.855 ( 0.055 0.707 -2.505) 2.604 5.880 ( 1.386 0.088 -1.064) 1.750 5.935 ( -0.277 -0.353 -0.141) 0.471 5.953 ( -1.045 -1.004 0.552) 1.551 6.066 ( -4.455 1.079 1.626) 4.864 6.075 ( 0.295 0.519 1.428) 1.548 6.132 ( -0.646 1.401 1.711) 2.304 6.160 ( -0.658 1.829 0.639) 2.045 6.174 ( -0.281 1.044 -1.839) 2.133 6.230 ( 0.378 2.363 -3.098) 3.914 6.287 ( -0.876 -2.753 0.840) 3.009 6.365 ( 1.299 -1.963 -2.602) 3.509 6.574 ( 0.226 1.476 0.941) 1.765 6.591 ( 3.466 1.374 2.026) 4.243 7.027 ( -1.335 1.557 0.985) 2.276 7.082 ( 0.498 -1.643 -1.267) 2.134 7.251 ( -1.239 4.506 0.678) 4.723 7.292 ( 1.293 4.089 -0.447) 4.312 7.316 ( -1.812 0.210 1.678) 2.479 7.377 ( -1.095 -0.953 -2.118) 2.568 7.523 ( -3.175 -3.887 -0.293) 5.027 7.562 ( 0.615 -3.465 0.273) 3.530 ======================= Grid point 68 (36/60) ======================= q-point: (-0.29 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -8.825 15.047 1.095) 17.479 1.066 ( -11.844 13.213 -2.146) 17.874 1.370 ( -4.001 3.635 4.312) 6.914 1.518 ( 0.960 0.052 -3.118) 3.263 1.603 ( -1.091 3.213 -4.366) 5.530 1.665 ( -8.676 5.501 -0.160) 10.274 1.733 ( -3.419 -4.479 -1.471) 5.823 1.761 ( 1.363 3.098 7.740) 8.448 1.812 ( -1.177 0.482 0.123) 1.277 1.870 ( -2.513 -1.851 -7.001) 7.665 1.897 ( 0.181 -1.169 -1.098) 1.614 1.977 ( -3.643 0.678 1.082) 3.860 2.045 ( 1.366 0.187 -0.075) 1.381 2.109 ( 5.472 -1.029 0.227) 5.573 2.231 ( -2.757 -5.309 -1.630) 6.200 2.248 ( 4.830 -1.109 4.016) 6.379 2.278 ( 6.948 0.714 4.281) 8.192 2.371 ( -6.727 -1.706 -1.881) 7.190 2.393 ( 2.684 -0.093 -2.422) 3.616 2.495 ( -0.574 -3.424 1.653) 3.845 2.513 ( 4.337 -6.424 -0.266) 7.756 2.552 ( -1.363 -1.363 0.254) 1.944 2.662 ( 0.313 -6.902 -3.394) 7.697 2.674 ( 1.336 -5.377 -0.298) 5.549 2.692 ( -1.190 -3.550 3.807) 5.340 2.762 ( -1.272 -4.480 -2.998) 5.538 2.833 ( -2.278 0.521 0.244) 2.349 2.875 ( -3.256 -1.122 3.697) 5.052 2.933 ( 1.951 -6.079 -1.170) 6.491 2.995 ( 1.703 -4.005 -1.319) 4.547 3.044 ( 0.924 -1.064 -0.095) 1.413 3.082 ( 1.441 -2.246 -1.781) 3.209 3.162 ( -5.621 0.770 0.343) 5.684 3.173 ( -2.870 0.561 0.567) 2.978 3.195 ( 1.094 -0.620 0.620) 1.402 3.220 ( 3.750 0.465 2.895) 4.760 3.340 ( 0.554 0.979 1.825) 2.143 3.373 ( 2.440 -2.958 -2.757) 4.723 3.418 ( -5.924 -0.969 -0.248) 6.008 3.435 ( -2.163 -3.904 0.108) 4.464 3.522 ( -0.591 -1.266 -0.430) 1.462 3.558 ( -0.313 0.539 0.172) 0.647 3.589 ( -1.579 -0.725 1.463) 2.271 3.617 ( -1.148 -0.295 -1.227) 1.706 3.661 ( -3.341 -0.838 0.014) 3.445 3.709 ( 3.203 1.146 0.015) 3.402 3.743 ( -0.790 -1.223 2.232) 2.666 3.759 ( -0.140 -1.210 -0.908) 1.519 3.804 ( -0.951 1.305 0.815) 1.809 3.822 ( 1.278 2.264 -0.080) 2.601 3.876 ( -0.074 1.694 2.168) 2.752 3.908 ( -0.475 0.283 -2.091) 2.163 4.036 ( -1.846 4.640 -2.796) 5.723 4.124 ( 1.007 1.353 0.657) 1.810 4.173 ( 0.023 3.496 -2.656) 4.390 4.243 ( 3.955 2.137 0.582) 4.533 4.263 ( 2.755 3.348 0.402) 4.355 4.299 ( 0.397 0.936 3.111) 3.272 4.338 ( -0.777 -0.574 1.407) 1.707 4.439 ( -1.245 -2.589 -1.438) 3.213 4.501 ( 2.065 -2.096 1.154) 3.160 4.556 ( 1.430 1.474 -1.224) 2.391 4.592 ( -1.245 -2.047 -2.679) 3.594 4.620 ( -1.782 0.474 -0.786) 2.005 4.706 ( -0.455 1.127 -1.944) 2.293 4.772 ( -0.808 -0.658 1.250) 1.628 4.793 ( 0.458 -0.479 1.884) 1.997 4.860 ( 2.495 1.644 1.285) 3.253 4.869 ( 0.758 3.287 -0.602) 3.427 4.911 ( 2.734 -3.005 -2.087) 4.567 4.995 ( 2.052 0.961 0.767) 2.393 5.115 ( 2.315 -1.142 -0.610) 2.653 5.120 ( 3.285 -1.768 -3.437) 5.072 5.152 ( 4.200 0.035 4.470) 6.133 5.212 ( 1.558 0.083 1.205) 1.971 5.288 ( -0.176 0.765 2.328) 2.457 5.311 ( 2.807 0.572 -0.026) 2.865 5.381 ( 3.607 0.905 -0.745) 3.793 5.409 ( 0.103 1.534 0.342) 1.575 5.503 ( 0.009 -2.376 -2.579) 3.507 5.570 ( 0.205 1.483 1.219) 1.931 5.673 ( 2.261 -1.400 -0.650) 2.738 5.720 ( -3.129 -0.516 -0.334) 3.189 5.735 ( 0.460 -0.566 1.070) 1.295 5.756 ( 1.388 1.603 0.390) 2.156 5.812 ( -1.723 0.582 -1.832) 2.581 5.850 ( -1.317 -0.253 -1.322) 1.884 5.894 ( 1.063 0.338 -1.182) 1.625 5.917 ( 0.266 1.308 0.493) 1.423 5.963 ( -3.794 0.477 1.488) 4.103 6.008 ( -1.562 0.014 2.810) 3.215 6.063 ( -1.450 -1.832 1.219) 2.635 6.116 ( -2.882 0.901 1.146) 3.229 6.148 ( -1.046 1.116 -2.562) 2.984 6.177 ( -0.029 2.182 1.912) 2.902 6.194 ( -0.420 1.269 -1.894) 2.318 6.268 ( -1.743 -0.174 -0.097) 1.754 6.362 ( 1.715 -2.526 -2.241) 3.787 6.617 ( 3.988 2.768 -0.081) 4.855 6.688 ( 5.417 1.654 0.719) 5.710 7.006 ( -1.817 2.611 0.859) 3.296 7.076 ( 0.023 -1.220 -0.879) 1.504 7.210 ( -3.033 2.365 -0.799) 3.928 7.291 ( -3.700 -0.597 2.128) 4.310 7.320 ( 1.719 5.044 0.264) 5.335 7.334 ( -1.538 0.098 -0.814) 1.743 7.442 ( -5.360 -2.660 -0.421) 5.999 7.558 ( -1.216 -2.363 0.036) 2.658 ======================= Grid point 69 (37/60) ======================= q-point: (-0.14 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -7.374 17.891 -1.112) 19.383 0.971 ( -3.021 20.512 7.685) 22.112 1.288 ( -6.490 5.550 -4.005) 9.432 1.385 ( -9.300 9.956 0.052) 13.624 1.474 ( -3.699 6.364 -5.400) 9.129 1.607 ( -2.344 0.310 1.305) 2.700 1.672 ( -1.375 -6.824 4.228) 8.144 1.755 ( -2.029 -7.379 -2.839) 8.162 1.799 ( -2.996 -4.163 -0.064) 5.130 1.873 ( -2.525 -2.252 0.760) 3.468 1.895 ( 3.556 2.930 7.125) 8.485 1.973 ( 0.838 -2.382 1.875) 3.146 2.091 ( 6.425 -2.777 -5.263) 8.757 2.181 ( -2.833 -6.644 -1.769) 7.437 2.235 ( 4.325 -0.520 1.937) 4.767 2.309 ( 5.033 -0.779 -0.702) 5.141 2.353 ( 1.643 -0.982 1.121) 2.218 2.403 ( 0.194 2.709 -1.763) 3.238 2.427 ( 2.504 -2.358 4.228) 5.450 2.462 ( -3.130 -0.711 3.086) 4.452 2.541 ( 2.586 -1.441 -0.213) 2.968 2.569 ( -1.960 -4.870 -0.768) 5.306 2.651 ( 1.681 -3.301 -1.198) 3.893 2.680 ( 0.461 -1.219 -1.387) 1.903 2.707 ( 1.127 -4.449 0.533) 4.621 2.759 ( -0.102 0.749 1.715) 1.875 2.796 ( 0.735 -5.583 0.292) 5.638 2.899 ( -0.616 -3.751 4.816) 6.136 2.932 ( -1.041 -5.818 -1.680) 6.145 2.993 ( 1.109 -0.251 -4.745) 4.880 3.011 ( -3.743 -0.864 -1.126) 4.003 3.062 ( -0.017 -1.509 -2.713) 3.105 3.092 ( -2.077 -1.103 0.024) 2.352 3.129 ( -0.342 -3.085 1.246) 3.344 3.188 ( -2.756 -2.860 -2.364) 4.622 3.247 ( -4.139 1.596 -2.533) 5.108 3.319 ( 1.008 -1.207 -0.758) 1.745 3.331 ( -2.837 1.643 1.841) 3.760 3.417 ( 0.887 -0.436 0.428) 1.077 3.420 ( 2.260 -1.445 -1.306) 2.984 3.519 ( -0.181 -1.837 0.305) 1.871 3.531 ( -2.610 -0.082 1.789) 3.166 3.568 ( -3.859 -0.666 1.344) 4.141 3.609 ( -0.025 -3.255 -1.320) 3.513 3.633 ( 1.086 0.083 0.940) 1.439 3.694 ( -3.133 -1.358 -0.731) 3.491 3.735 ( 0.243 -0.236 -0.570) 0.663 3.771 ( 1.126 -0.367 -0.711) 1.381 3.817 ( 0.192 1.517 1.765) 2.336 3.857 ( 2.867 2.561 -1.162) 4.016 3.891 ( -1.164 2.116 1.425) 2.805 3.901 ( 1.065 1.107 -0.259) 1.558 4.004 ( -0.207 5.245 0.293) 5.257 4.133 ( 0.049 0.675 0.317) 0.747 4.169 ( 0.966 1.744 -0.807) 2.150 4.249 ( 1.537 2.583 -3.978) 4.986 4.310 ( 2.111 -0.814 -0.387) 2.295 4.340 ( -3.748 -1.471 -0.910) 4.128 4.348 ( 0.725 2.566 0.684) 2.752 4.373 ( 0.281 -1.312 3.070) 3.350 4.525 ( -1.178 1.249 -0.952) 1.963 4.572 ( 0.137 0.092 0.884) 0.899 4.591 ( 0.355 -1.907 1.865) 2.690 4.628 ( 1.677 -1.244 0.123) 2.091 4.681 ( 1.753 1.696 -0.227) 2.450 4.775 ( 0.052 -0.373 0.783) 0.869 4.823 ( 0.382 -1.633 -0.035) 1.678 4.880 ( -0.121 -0.027 -0.301) 0.326 4.885 ( 1.573 2.543 1.307) 3.263 4.933 ( 2.205 -0.793 -1.866) 2.996 5.011 ( -0.296 0.760 -1.361) 1.587 5.122 ( 2.545 -3.108 -2.607) 4.789 5.154 ( 2.165 1.807 -1.590) 3.237 5.257 ( 1.020 1.745 4.233) 4.691 5.272 ( 6.216 -0.697 -3.589) 7.212 5.314 ( 0.603 0.741 2.389) 2.573 5.370 ( 1.677 -1.033 2.028) 2.827 5.433 ( 1.937 -0.418 2.231) 2.984 5.451 ( 2.044 0.176 0.986) 2.276 5.467 ( 0.372 0.613 -3.044) 3.127 5.575 ( -1.096 2.527 1.589) 3.180 5.651 ( -1.837 -0.036 -1.703) 2.506 5.692 ( -0.223 -0.253 -0.711) 0.787 5.745 ( -2.342 0.151 -0.939) 2.527 5.755 ( -0.299 0.400 0.334) 0.601 5.811 ( 0.116 0.322 1.439) 1.479 5.816 ( 1.067 -1.922 -0.200) 2.208 5.885 ( -0.270 0.612 0.470) 0.818 5.909 ( -2.435 1.691 1.329) 3.249 5.932 ( -1.734 0.450 1.891) 2.605 6.013 ( 0.060 1.989 -0.565) 2.069 6.035 ( -4.391 -1.381 0.891) 4.688 6.079 ( -1.855 0.700 0.234) 1.996 6.115 ( 1.095 -0.461 -1.474) 1.894 6.173 ( -0.502 0.575 -0.658) 1.008 6.194 ( -0.231 1.352 1.693) 2.179 6.251 ( -0.191 2.360 0.222) 2.379 6.369 ( 1.691 -2.371 -1.933) 3.495 6.696 ( 5.378 3.950 -0.640) 6.703 6.771 ( 3.449 3.078 -0.858) 4.701 7.000 ( 0.181 2.270 1.428) 2.688 7.060 ( -0.975 -0.275 -0.748) 1.259 7.142 ( -3.089 1.367 -0.983) 3.518 7.233 ( -4.917 -1.438 1.290) 5.283 7.313 ( -1.205 0.790 1.284) 1.929 7.349 ( -0.449 2.892 -0.281) 2.940 7.356 ( -1.781 1.417 0.312) 2.297 7.522 ( -1.897 -0.786 -1.496) 2.541 ======================= Grid point 70 (38/60) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.128 ( 1.220 13.979 -0.343) 14.037 1.209 ( -2.084 8.280 -3.796) 9.344 1.311 ( 0.234 2.079 0.641) 2.188 1.347 ( 1.557 -0.981 -3.051) 3.563 1.519 ( -3.845 -1.892 2.547) 4.985 1.588 ( 4.708 0.449 0.922) 4.819 1.623 ( -0.318 -5.165 3.119) 6.042 1.656 ( 3.658 -5.516 1.188) 6.724 1.773 ( -1.778 0.489 0.022) 1.844 1.821 ( -2.479 0.048 4.638) 5.259 1.879 ( -0.620 3.709 -1.031) 3.899 1.949 ( -6.390 0.251 1.440) 6.555 2.093 ( 5.642 -2.536 -2.114) 6.537 2.124 ( 5.103 -3.670 -1.038) 6.371 2.254 ( -3.824 2.817 3.973) 6.192 2.328 ( -3.194 -0.996 3.139) 4.587 2.374 ( 1.685 -2.326 1.724) 3.350 2.408 ( 1.368 -1.596 0.547) 2.172 2.449 ( 0.377 1.470 1.843) 2.388 2.472 ( 0.325 -0.641 2.786) 2.877 2.522 ( -2.636 5.511 -2.598) 6.638 2.577 ( 1.149 0.423 -2.026) 2.367 2.604 ( -1.015 -3.393 -2.583) 4.384 2.626 ( 0.070 -3.300 -3.839) 5.063 2.678 ( 0.281 0.909 -0.552) 1.100 2.745 ( 0.036 1.457 0.482) 1.535 2.796 ( 3.307 -5.072 3.287) 6.889 2.799 ( -2.439 2.294 -1.483) 3.662 2.856 ( -3.404 -3.312 3.164) 5.706 2.921 ( 2.453 -5.975 2.160) 6.811 3.003 ( 1.412 2.270 -0.977) 2.846 3.042 ( 1.063 -1.611 -2.062) 2.824 3.084 ( 2.366 2.503 -0.323) 3.460 3.111 ( 3.634 -0.378 -0.171) 3.658 3.118 ( -1.114 1.175 -1.335) 2.098 3.170 ( -2.367 -3.226 -1.767) 4.374 3.265 ( -1.803 -0.229 -4.535) 4.886 3.277 ( -2.450 -1.351 -3.619) 4.574 3.410 ( 2.107 0.335 -1.546) 2.635 3.423 ( 1.331 -0.353 -2.105) 2.516 3.471 ( -1.469 -1.573 1.327) 2.529 3.480 ( -1.923 -1.969 1.107) 2.967 3.557 ( -1.682 0.889 2.359) 3.031 3.577 ( -0.423 -1.115 2.020) 2.346 3.639 ( -0.333 -0.068 1.121) 1.172 3.650 ( 0.460 -1.204 2.064) 2.433 3.730 ( 0.225 0.720 -3.252) 3.339 3.745 ( 0.293 -0.991 -2.684) 2.876 3.852 ( -0.520 0.851 0.729) 1.236 3.871 ( -1.387 -0.791 1.157) 1.972 3.929 ( 0.866 2.312 -1.741) 3.021 3.956 ( 1.228 -0.084 -1.350) 1.827 4.099 ( -0.038 3.697 2.320) 4.365 4.148 ( -0.095 -0.950 1.604) 1.866 4.202 ( 0.862 0.737 0.196) 1.151 4.228 ( 0.508 -1.891 -0.087) 1.960 4.283 ( -0.519 3.482 -3.103) 4.692 4.331 ( -0.301 1.266 -2.131) 2.497 4.342 ( 0.276 -0.881 -1.025) 1.380 4.402 ( -0.924 -3.028 -3.373) 4.626 4.532 ( 0.254 0.742 2.821) 2.928 4.552 ( 1.119 -0.853 0.892) 1.666 4.624 ( 0.661 1.656 3.020) 3.508 4.655 ( 0.532 -1.110 2.029) 2.373 4.697 ( -0.395 0.750 0.191) 0.869 4.738 ( -0.434 -2.662 -1.225) 2.963 4.838 ( 1.356 1.337 2.716) 3.317 4.870 ( 1.500 -1.194 0.792) 2.075 4.960 ( 1.028 1.471 -1.173) 2.144 4.976 ( -1.044 1.895 -0.282) 2.182 5.020 ( 1.630 0.682 0.461) 1.826 5.066 ( -2.072 -3.089 -0.121) 3.721 5.207 ( -1.634 3.949 -1.494) 4.527 5.252 ( -0.445 -0.132 -3.322) 3.354 5.335 ( 0.749 -0.694 0.396) 1.096 5.342 ( -1.414 -1.513 0.483) 2.126 5.383 ( -1.404 1.970 4.118) 4.776 5.430 ( -0.647 -2.580 2.222) 3.466 5.473 ( 1.190 1.016 -0.490) 1.640 5.492 ( 1.542 -1.068 -0.548) 1.954 5.653 ( 0.520 2.701 0.876) 2.886 5.661 ( 0.370 1.351 1.432) 2.004 5.693 ( 0.249 0.317 0.229) 0.464 5.710 ( 0.637 0.061 -1.381) 1.522 5.724 ( -0.308 -1.450 -1.920) 2.426 5.743 ( -0.594 -1.434 0.279) 1.577 5.856 ( 1.273 0.662 1.245) 1.899 5.875 ( -0.013 -1.027 -0.199) 1.047 5.896 ( -1.908 1.199 0.598) 2.332 5.923 ( -1.446 -1.730 0.109) 2.257 6.004 ( -0.565 1.748 0.894) 2.043 6.036 ( -1.175 -1.142 -0.486) 1.709 6.087 ( 1.079 1.343 1.245) 2.125 6.103 ( 0.272 -0.266 0.449) 0.589 6.170 ( -0.833 1.369 -0.540) 1.691 6.196 ( -0.133 -0.980 -0.843) 1.299 6.324 ( 1.141 2.495 0.513) 2.791 6.358 ( 1.277 -1.110 -0.540) 1.776 6.826 ( 0.773 2.300 -1.472) 2.838 6.836 ( -0.365 1.435 -1.626) 2.199 7.034 ( -0.619 0.839 0.346) 1.099 7.046 ( 0.281 -0.468 0.269) 0.608 7.136 ( 0.389 1.035 0.808) 1.369 7.154 ( -0.961 -0.806 0.577) 1.380 7.331 ( -0.602 0.790 1.698) 1.967 7.340 ( 0.336 -0.134 1.418) 1.463 7.435 ( 0.293 2.973 -1.794) 3.485 7.473 ( 0.245 -0.889 -2.842) 2.988 ======================= Grid point 71 (39/60) ======================= q-point: ( 0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 6.369 11.437 -1.271) 13.152 1.225 ( 5.428 13.003 1.698) 14.192 1.369 ( 7.418 -2.009 -2.285) 8.017 1.404 ( 6.121 1.634 0.238) 6.340 1.497 ( -1.316 -1.254 2.190) 2.846 1.659 ( 0.607 -3.402 1.694) 3.849 1.684 ( 4.859 -0.535 -3.187) 5.835 1.707 ( 3.031 -2.223 -2.710) 4.634 1.806 ( 1.438 -4.356 -1.172) 4.735 1.826 ( 4.819 -2.406 3.240) 6.286 1.841 ( -6.107 -0.089 1.863) 6.386 1.893 ( -0.672 -1.763 3.952) 4.379 2.144 ( 0.626 0.580 -4.310) 4.394 2.161 ( 0.128 -0.644 -3.821) 3.877 2.222 ( -3.156 1.616 6.074) 7.033 2.252 ( -3.822 -0.121 2.944) 4.826 2.379 ( -1.317 1.973 1.438) 2.774 2.387 ( -2.600 4.769 -2.635) 6.037 2.459 ( -2.829 -2.499 2.481) 4.517 2.494 ( -3.637 -2.183 0.179) 4.245 2.525 ( 2.149 1.174 2.190) 3.286 2.560 ( -0.861 -2.379 -3.471) 4.295 2.580 ( -0.780 -2.890 1.508) 3.352 2.599 ( 0.646 -5.061 3.077) 5.958 2.667 ( -0.470 1.385 -0.351) 1.504 2.727 ( -4.104 -3.002 0.693) 5.132 2.763 ( 4.622 6.359 -0.281) 7.866 2.900 ( 1.943 -2.865 1.294) 3.696 2.914 ( 4.933 1.389 2.204) 5.579 2.963 ( 2.556 -1.412 -3.438) 4.511 2.980 ( -2.076 0.411 -3.255) 3.882 3.021 ( 0.064 -4.283 -0.720) 4.344 3.071 ( 0.419 0.503 -1.460) 1.600 3.087 ( -2.040 -1.549 0.592) 2.629 3.157 ( 1.139 0.059 -4.232) 4.383 3.177 ( 0.169 -1.955 -4.767) 5.155 3.232 ( 4.547 -0.075 3.578) 5.787 3.246 ( 2.248 -1.176 -0.509) 2.587 3.384 ( -1.546 1.407 -0.672) 2.196 3.419 ( -1.349 -2.095 -0.839) 2.629 3.487 ( 3.033 -0.515 0.355) 3.097 3.497 ( 2.603 -1.619 0.567) 3.117 3.551 ( -2.100 1.187 2.796) 3.693 3.586 ( -1.554 -2.171 3.470) 4.378 3.660 ( 0.681 0.146 -1.465) 1.622 3.672 ( -0.026 -0.932 0.242) 0.964 3.720 ( 2.684 0.964 -1.931) 3.444 3.738 ( 2.931 -0.565 -0.493) 3.025 3.845 ( -1.236 -0.096 1.073) 1.640 3.852 ( -2.011 -0.629 0.891) 2.288 3.925 ( 0.102 1.741 -0.994) 2.008 3.952 ( -0.106 -0.777 -0.400) 0.880 4.147 ( 1.456 3.160 2.957) 4.566 4.172 ( 0.297 0.998 0.229) 1.066 4.193 ( -0.625 0.809 -1.001) 1.431 4.217 ( 1.053 -0.399 -1.417) 1.809 4.256 ( -1.673 2.439 -1.591) 3.358 4.300 ( -0.708 1.204 -1.429) 1.998 4.343 ( -0.459 -1.581 -1.500) 2.228 4.385 ( 2.834 -3.133 0.874) 4.314 4.542 ( -0.807 0.779 0.557) 1.252 4.562 ( -0.557 -1.449 -0.753) 1.725 4.659 ( -0.204 0.442 1.801) 1.866 4.665 ( -1.251 -0.317 1.015) 1.642 4.699 ( 0.081 -0.054 -0.587) 0.595 4.719 ( 0.040 -1.636 -0.402) 1.685 4.861 ( -1.239 3.835 -0.311) 4.042 4.901 ( -3.254 2.410 -0.561) 4.088 4.924 ( -0.040 -0.635 0.047) 0.638 4.956 ( -0.948 -2.481 0.538) 2.710 5.019 ( -1.147 1.087 -1.238) 2.008 5.056 ( 0.821 -1.649 0.271) 1.862 5.150 ( -3.791 3.545 0.232) 5.195 5.183 ( -4.157 0.706 -1.096) 4.357 5.294 ( -3.638 0.364 0.773) 3.737 5.315 ( -3.307 -2.235 0.854) 4.082 5.367 ( -3.688 1.138 1.695) 4.215 5.411 ( -3.142 -3.065 -1.148) 4.537 5.484 ( 1.140 0.968 1.133) 1.876 5.502 ( -0.081 -0.902 0.644) 1.111 5.628 ( -3.086 1.713 0.346) 3.546 5.650 ( -1.994 -0.460 -0.942) 2.253 5.723 ( 0.500 1.633 0.056) 1.709 5.732 ( 2.002 0.723 0.317) 2.152 5.748 ( 3.650 -0.364 -1.320) 3.899 5.764 ( 2.650 -2.019 -0.674) 3.399 5.869 ( -0.091 1.581 -0.638) 1.707 5.893 ( 1.366 -0.433 -1.212) 1.877 5.926 ( 2.720 0.130 3.296) 4.275 5.936 ( 4.480 -0.783 3.049) 5.475 6.007 ( -1.363 -0.002 0.573) 1.479 6.020 ( -0.105 -1.153 1.654) 2.019 6.093 ( -0.730 1.462 -0.614) 1.746 6.105 ( -0.812 -0.366 -0.490) 1.016 6.167 ( 1.402 2.161 -0.716) 2.673 6.202 ( 1.523 -1.025 -0.126) 1.840 6.336 ( -0.288 1.851 -0.075) 1.875 6.362 ( 0.292 -0.885 -1.120) 1.457 6.749 ( -6.020 2.187 -1.041) 6.489 6.766 ( -5.597 0.402 -1.193) 5.737 7.034 ( 0.046 1.544 0.486) 1.619 7.057 ( 0.583 -1.029 -0.097) 1.186 7.193 ( 4.309 1.177 0.347) 4.481 7.203 ( 4.694 0.049 1.039) 4.808 7.346 ( 0.278 1.555 1.610) 2.255 7.373 ( 1.265 -0.884 1.052) 1.867 7.417 ( -0.044 2.108 -1.018) 2.341 7.453 ( 1.119 -1.301 -2.830) 3.310 ======================= Grid point 72 (40/60) ======================= q-point: ( 0.29 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 8.518 10.924 -1.699) 13.956 1.353 ( 3.249 7.642 2.610) 8.704 1.478 ( 5.496 8.902 1.885) 10.630 1.538 ( 4.370 -3.482 2.469) 6.109 1.546 ( 6.146 -6.003 0.345) 8.598 1.635 ( -0.054 0.722 -2.883) 2.973 1.703 ( 2.880 0.415 -0.811) 3.021 1.722 ( 1.431 0.817 -2.834) 3.278 1.778 ( -1.616 -0.028 0.027) 1.616 1.843 ( 4.019 -4.792 -3.698) 7.266 1.938 ( 0.220 -2.432 0.300) 2.461 1.959 ( 4.310 -3.349 3.143) 6.298 2.036 ( -2.045 3.616 -3.472) 5.414 2.132 ( 2.047 -4.063 -1.071) 4.674 2.215 ( -5.831 2.778 0.137) 6.461 2.267 ( -0.193 -0.320 2.515) 2.543 2.332 ( -3.910 -0.752 0.655) 4.035 2.356 ( 0.086 -2.881 1.407) 3.207 2.406 ( -1.519 -0.626 -3.029) 3.446 2.428 ( -2.939 -3.263 -0.605) 4.432 2.517 ( -5.366 1.907 2.122) 6.077 2.546 ( 0.920 0.357 0.359) 1.050 2.602 ( 0.593 -2.056 0.235) 2.153 2.664 ( 3.143 -3.896 3.391) 6.046 2.700 ( 0.425 -1.117 -2.082) 2.401 2.711 ( 1.238 -0.144 2.657) 2.935 2.801 ( 0.754 2.873 0.880) 3.098 2.883 ( -2.076 -2.580 -3.423) 4.763 2.901 ( -2.265 0.762 1.285) 2.714 2.919 ( -1.288 0.002 0.707) 1.470 2.993 ( 0.661 0.250 -1.257) 1.442 3.023 ( 1.537 -2.119 -5.452) 6.048 3.077 ( -0.292 -1.483 -1.565) 2.176 3.082 ( 0.545 -2.516 -3.536) 4.374 3.144 ( 3.552 1.634 2.638) 4.716 3.201 ( 3.907 -3.540 -0.372) 5.286 3.274 ( 0.153 0.428 2.506) 2.547 3.295 ( -0.582 -1.503 2.696) 3.141 3.423 ( 3.327 1.511 1.472) 3.939 3.438 ( 2.675 -0.363 1.514) 3.095 3.531 ( 0.348 -0.011 1.358) 1.402 3.544 ( 2.368 -0.753 1.600) 2.955 3.568 ( 1.531 1.262 0.689) 2.100 3.598 ( 0.492 -1.440 1.000) 1.821 3.646 ( 0.231 -0.413 -1.398) 1.476 3.656 ( 0.805 -1.211 -2.806) 3.160 3.762 ( 0.976 2.691 -1.077) 3.059 3.795 ( 2.135 -0.199 0.703) 2.256 3.819 ( -1.972 0.340 0.858) 2.178 3.844 ( 0.151 -1.803 1.552) 2.384 3.914 ( -0.150 1.985 -0.479) 2.048 3.956 ( 1.124 -2.090 -0.538) 2.433 4.144 ( -0.615 3.175 -1.296) 3.484 4.163 ( -1.923 1.574 -1.822) 3.081 4.197 ( 0.288 2.489 -0.412) 2.540 4.205 ( -0.171 1.017 -0.581) 1.184 4.231 ( -0.210 0.318 1.257) 1.314 4.277 ( -1.524 -1.420 2.330) 3.125 4.370 ( 2.321 1.946 1.089) 3.218 4.431 ( 0.783 -2.802 0.165) 2.914 4.513 ( -2.442 0.031 -0.770) 2.561 4.539 ( -0.310 -2.785 -1.823) 3.343 4.641 ( 0.231 0.447 -2.885) 2.928 4.646 ( -0.166 0.398 -1.485) 1.547 4.688 ( -0.525 0.286 0.888) 1.071 4.720 ( -1.284 -2.907 1.282) 3.427 4.813 ( -2.065 2.093 -1.184) 3.170 4.848 ( -3.175 -0.857 -2.308) 4.018 4.870 ( -3.768 4.344 2.844) 6.415 4.941 ( -3.038 -2.519 1.694) 4.295 5.010 ( 0.555 1.867 -0.273) 1.967 5.052 ( -0.282 0.250 -1.780) 1.819 5.094 ( -3.509 0.248 0.787) 3.605 5.108 ( -2.532 0.188 -0.786) 2.658 5.246 ( -4.161 2.557 2.232) 5.370 5.283 ( -2.317 -0.906 1.539) 2.925 5.307 ( -3.684 -2.498 1.268) 4.628 5.334 ( -2.983 -3.310 -1.310) 4.644 5.502 ( 0.732 1.571 -1.752) 2.464 5.516 ( 0.966 0.242 -0.070) 0.998 5.588 ( -1.862 1.420 1.037) 2.561 5.610 ( -1.323 -0.880 0.143) 1.595 5.716 ( 0.083 1.641 -0.797) 1.826 5.754 ( -0.720 -1.862 -1.047) 2.254 5.787 ( 1.832 0.561 0.331) 1.944 5.799 ( 2.834 -0.888 0.264) 2.981 5.864 ( 0.413 1.270 -1.312) 1.872 5.893 ( -0.025 -1.424 -0.912) 1.692 5.994 ( -0.641 2.142 2.213) 3.146 6.027 ( 1.056 -1.136 1.833) 2.401 6.040 ( -1.104 1.351 1.021) 2.021 6.051 ( -0.421 -0.249 -0.567) 0.749 6.071 ( 4.026 0.800 1.530) 4.380 6.098 ( 2.875 -0.917 1.698) 3.462 6.193 ( 3.161 1.409 -1.405) 3.735 6.225 ( 0.941 -1.408 -0.186) 1.703 6.317 ( -0.702 1.656 -1.598) 2.406 6.343 ( -0.135 -1.184 -2.851) 3.090 6.638 ( -5.449 1.919 0.122) 5.778 6.659 ( -5.684 -0.116 0.760) 5.736 7.040 ( 0.109 1.260 0.271) 1.294 7.062 ( 0.116 -1.222 -0.103) 1.232 7.273 ( 4.347 2.566 -0.068) 5.049 7.292 ( 3.901 0.672 0.709) 4.021 7.368 ( 0.257 2.499 1.222) 2.794 7.383 ( 0.445 1.920 -0.877) 2.157 7.432 ( 1.772 -2.754 -0.517) 3.315 7.454 ( 0.904 -3.049 -0.187) 3.186 ======================= Grid point 73 (41/60) ======================= q-point: ( 0.43 0.43 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -0.041 4.999 -0.226) 5.005 1.418 ( 3.909 3.223 -1.302) 5.231 1.535 ( 0.144 3.142 -1.588) 3.523 1.548 ( -0.436 2.507 1.404) 2.906 1.646 ( 0.992 3.239 -1.935) 3.901 1.676 ( 0.750 3.318 2.814) 4.415 1.720 ( -0.419 2.358 -1.034) 2.608 1.740 ( 3.785 1.442 -0.668) 4.105 1.804 ( 4.372 -4.489 2.357) 6.695 1.881 ( 0.415 2.189 2.557) 3.392 1.953 ( 3.201 2.192 -1.036) 4.015 2.004 ( 2.159 -3.249 -1.602) 4.217 2.021 ( 4.794 -0.685 -2.598) 5.496 2.135 ( -1.505 -0.128 -1.377) 2.044 2.162 ( -4.359 -10.000 -1.676) 11.036 2.190 ( 0.257 -6.217 -0.501) 6.242 2.323 ( -0.226 0.628 -1.855) 1.972 2.347 ( -2.315 -2.798 -2.665) 4.505 2.378 ( -6.314 1.933 4.347) 7.906 2.420 ( -1.772 5.356 -4.813) 7.416 2.433 ( 1.637 -1.209 3.735) 4.253 2.535 ( -0.585 -5.681 -3.506) 6.701 2.604 ( -0.914 -1.429 -1.854) 2.513 2.638 ( -1.595 -1.586 -6.209) 6.604 2.680 ( -0.125 0.387 1.136) 1.207 2.744 ( 2.905 -4.211 0.182) 5.118 2.853 ( 0.026 0.978 1.304) 1.630 2.877 ( 1.994 0.118 -2.564) 3.251 2.889 ( -1.242 1.577 3.897) 4.384 2.932 ( -1.060 -0.471 3.837) 4.009 2.959 ( -1.034 -1.500 -0.591) 1.916 3.011 ( -0.481 -3.818 1.071) 3.995 3.074 ( 2.991 -0.873 0.046) 3.116 3.099 ( 2.871 -2.534 1.359) 4.063 3.213 ( 1.292 0.786 2.815) 3.195 3.243 ( 0.605 -2.419 1.566) 2.945 3.319 ( 0.484 -0.022 0.181) 0.517 3.328 ( 1.826 -0.833 1.231) 2.354 3.402 ( -3.425 4.267 -1.390) 5.645 3.472 ( -0.335 -3.037 -0.955) 3.201 3.570 ( 0.814 1.301 1.234) 1.969 3.584 ( 0.300 1.547 0.085) 1.578 3.610 ( 0.080 1.065 -0.799) 1.333 3.617 ( 1.177 0.587 0.704) 1.492 3.634 ( 0.872 -0.595 1.678) 1.983 3.663 ( 2.382 -2.076 -1.729) 3.602 3.746 ( 0.472 2.464 -1.217) 2.788 3.792 ( -0.870 -2.180 -0.098) 2.350 3.825 ( -0.836 2.080 1.204) 2.545 3.865 ( -1.286 -1.703 1.658) 2.702 3.914 ( 1.273 2.812 -1.256) 3.332 3.964 ( 1.082 -1.944 -2.319) 3.213 4.121 ( 0.006 3.521 -0.731) 3.596 4.136 ( 0.333 2.638 0.443) 2.695 4.182 ( -0.045 1.266 0.149) 1.276 4.224 ( -0.530 3.559 1.179) 3.786 4.235 ( -0.313 -2.332 0.841) 2.498 4.275 ( -0.534 -1.445 1.562) 2.194 4.397 ( -2.453 0.112 -2.837) 3.752 4.403 ( -0.757 -0.991 -0.287) 1.280 4.483 ( 1.145 0.433 -0.211) 1.242 4.515 ( 0.138 -2.384 -0.086) 2.390 4.652 ( 2.863 1.495 -1.715) 3.657 4.660 ( 3.364 0.531 -0.453) 3.436 4.697 ( -0.410 -0.732 1.044) 1.340 4.711 ( -1.669 -3.056 1.247) 3.699 4.751 ( -3.496 1.469 1.986) 4.281 4.775 ( -2.860 -1.241 1.313) 3.383 4.878 ( -0.533 3.008 0.466) 3.091 4.911 ( -1.186 -0.019 1.760) 2.123 5.015 ( -0.157 0.330 1.035) 1.097 5.029 ( -2.576 0.130 -0.945) 2.747 5.048 ( 1.704 0.575 -2.039) 2.719 5.077 ( -0.259 -2.186 -1.499) 2.663 5.205 ( -3.089 3.460 3.131) 5.596 5.261 ( -1.334 -0.775 1.088) 1.888 5.277 ( -1.941 -2.455 2.200) 3.826 5.303 ( -0.346 -3.188 0.035) 3.207 5.485 ( 0.165 2.255 -2.831) 3.623 5.516 ( 0.317 -0.492 -2.193) 2.269 5.582 ( -0.669 1.703 1.136) 2.154 5.605 ( -0.228 -0.759 0.413) 0.893 5.722 ( 0.798 0.176 0.438) 0.927 5.732 ( 0.475 -1.209 -0.169) 1.309 5.800 ( -0.553 2.205 -0.793) 2.408 5.833 ( -0.083 -0.985 -0.217) 1.012 5.863 ( 1.893 0.058 -1.690) 2.538 5.876 ( 0.152 -0.897 -1.406) 1.675 5.965 ( -2.314 1.584 -2.324) 3.642 5.990 ( -2.809 -0.951 -1.729) 3.433 6.046 ( 1.094 0.857 2.482) 2.845 6.067 ( 0.464 -1.165 2.766) 3.037 6.141 ( 0.234 2.386 2.396) 3.390 6.179 ( 1.219 -1.048 2.384) 2.876 6.220 ( 1.131 1.665 -1.500) 2.510 6.254 ( 1.648 -1.824 -1.692) 2.984 6.288 ( 0.675 1.083 -2.355) 2.679 6.309 ( 0.927 -0.983 -1.972) 2.391 6.580 ( -1.924 1.475 1.309) 2.755 6.598 ( -2.715 -0.237 1.463) 3.093 7.044 ( 0.059 0.785 0.345) 0.859 7.061 ( -0.111 -1.090 -0.077) 1.099 7.331 ( 1.808 2.351 0.173) 2.971 7.342 ( 1.859 2.105 -0.288) 2.823 7.369 ( -1.245 4.722 0.659) 4.928 7.386 ( 0.659 0.978 -0.893) 1.479 7.456 ( 1.790 -4.306 -0.448) 4.684 7.465 ( -0.318 -4.740 0.586) 4.787 ======================= Grid point 74 (42/60) ======================= q-point: (-0.43 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -3.194 8.636 -0.115) 9.208 1.427 ( -2.049 3.496 -2.607) 4.819 1.512 ( -3.255 5.521 -0.077) 6.409 1.534 ( 0.849 2.138 1.704) 2.862 1.589 ( -4.444 -0.064 -0.290) 4.453 1.662 ( -2.863 -5.940 -1.303) 6.721 1.732 ( 2.047 2.810 -0.320) 3.492 1.795 ( 2.784 -0.829 -1.011) 3.076 1.864 ( -0.813 4.979 3.490) 6.135 1.906 ( -1.834 0.561 4.846) 5.212 1.997 ( -6.026 -4.257 -1.049) 7.452 2.030 ( 4.447 0.154 -2.354) 5.034 2.059 ( 0.012 -2.175 -0.973) 2.383 2.086 ( -0.616 -4.012 -2.962) 5.025 2.154 ( -1.496 5.379 -2.281) 6.031 2.170 ( 2.192 1.710 -0.900) 2.923 2.237 ( 0.811 0.187 -1.107) 1.385 2.308 ( 0.665 -4.167 -1.270) 4.406 2.330 ( 2.248 -4.605 -0.885) 5.200 2.371 ( -0.859 -4.454 -3.150) 5.523 2.467 ( -0.134 -0.861 0.135) 0.882 2.507 ( 2.947 -3.814 1.782) 5.139 2.569 ( 1.011 -1.517 -1.368) 2.279 2.607 ( 0.527 -2.700 -2.187) 3.515 2.717 ( -0.215 3.818 0.029) 3.825 2.754 ( -1.455 -0.628 -1.770) 2.376 2.827 ( -3.674 -0.821 1.721) 4.140 2.855 ( 0.083 -1.854 -0.881) 2.055 2.898 ( -3.904 -1.835 1.608) 4.603 2.908 ( 0.789 -2.571 1.036) 2.882 3.018 ( 2.689 0.612 1.471) 3.125 3.044 ( 1.480 -2.294 -1.077) 2.935 3.123 ( 1.711 2.169 3.263) 4.275 3.164 ( 1.178 -1.496 1.357) 2.338 3.236 ( -0.307 1.856 -0.908) 2.089 3.268 ( -2.154 -0.103 2.697) 3.453 3.296 ( 0.044 0.225 -1.828) 1.842 3.324 ( -1.494 -1.880 2.464) 3.441 3.381 ( 0.231 0.825 0.395) 0.944 3.432 ( -1.793 -3.525 -1.630) 4.277 3.541 ( -2.857 0.314 1.078) 3.070 3.563 ( -2.508 -1.544 0.725) 3.033 3.623 ( -1.363 1.335 0.194) 1.918 3.645 ( -0.554 -0.536 0.513) 0.926 3.657 ( 3.432 2.428 -0.096) 4.204 3.696 ( 3.385 -1.197 -1.204) 3.787 3.732 ( -1.755 1.295 -0.604) 2.263 3.762 ( -1.865 -1.517 -1.812) 3.010 3.823 ( -1.008 1.983 2.380) 3.258 3.855 ( -1.615 -0.932 2.697) 3.279 3.905 ( -0.503 2.193 -1.490) 2.698 3.939 ( -0.525 -1.217 -2.940) 3.225 4.138 ( 0.469 2.217 0.552) 2.333 4.157 ( 0.556 0.767 -1.681) 1.930 4.194 ( 2.788 4.018 0.380) 4.905 4.240 ( 2.558 2.372 1.465) 3.784 4.260 ( 1.218 -1.509 1.891) 2.709 4.298 ( -0.579 -1.514 3.555) 3.907 4.319 ( -1.897 1.980 -3.401) 4.368 4.376 ( 0.387 -3.016 -2.225) 3.767 4.492 ( -1.079 1.140 0.688) 1.714 4.531 ( 0.633 -2.563 -0.261) 2.653 4.648 ( -1.863 1.187 -1.334) 2.580 4.675 ( -1.456 -0.954 -1.462) 2.273 4.708 ( 2.899 1.792 -0.314) 3.422 4.745 ( 1.925 -0.828 0.455) 2.144 4.769 ( 2.586 -1.064 2.648) 3.851 4.785 ( 1.218 -1.385 1.807) 2.582 4.863 ( -0.527 3.868 2.271) 4.516 4.923 ( -0.385 -1.954 0.068) 1.993 4.999 ( 0.742 1.949 0.320) 2.110 5.023 ( 1.212 0.383 -1.745) 2.159 5.069 ( 2.643 -1.178 0.710) 2.980 5.081 ( 1.412 -1.568 -1.537) 2.611 5.214 ( 0.020 3.846 3.054) 4.911 5.260 ( 0.175 -0.220 0.758) 0.808 5.294 ( 0.330 -1.467 2.179) 2.648 5.311 ( 1.516 -3.351 0.140) 3.680 5.453 ( -0.401 1.598 -2.207) 2.754 5.484 ( -0.392 -1.634 -2.948) 3.394 5.587 ( 0.082 1.837 0.950) 2.070 5.612 ( 0.895 -0.653 0.452) 1.196 5.736 ( -0.505 1.359 0.782) 1.647 5.764 ( 0.213 -0.797 -0.131) 0.836 5.777 ( -0.104 0.880 -0.758) 1.166 5.807 ( 0.980 -1.512 -0.705) 1.935 5.871 ( 0.433 0.944 -2.728) 2.919 5.883 ( 2.062 -0.098 -1.832) 2.760 5.925 ( 0.001 -0.411 -0.025) 0.412 5.930 ( -1.666 -1.044 -0.182) 1.975 6.077 ( -2.944 0.199 1.344) 3.242 6.079 ( -1.176 -0.022 1.240) 1.709 6.154 ( -1.884 0.929 2.096) 2.967 6.167 ( -2.426 -0.314 1.635) 2.942 6.216 ( 0.440 1.937 -0.903) 2.182 6.242 ( -0.944 -1.215 -0.287) 1.565 6.283 ( 1.731 2.307 -2.355) 3.723 6.326 ( 1.594 -2.129 -2.639) 3.747 6.599 ( 1.703 1.002 1.181) 2.302 6.607 ( 2.869 0.186 1.483) 3.235 7.047 ( -0.300 0.698 0.430) 0.873 7.060 ( 0.161 -0.765 -0.144) 0.795 7.326 ( -2.527 1.512 -0.002) 2.945 7.333 ( -2.264 1.904 0.309) 2.975 7.362 ( -0.456 1.816 -0.535) 1.947 7.394 ( 1.464 4.825 -0.113) 5.043 7.441 ( -2.353 -4.586 -0.054) 5.155 7.487 ( 1.382 -4.382 0.166) 4.598 ======================= Grid point 75 (43/60) ======================= q-point: (-0.29 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -5.965 12.371 0.354) 13.739 1.326 ( -3.948 11.997 -0.116) 12.630 1.460 ( -5.726 4.431 2.304) 7.598 1.503 ( -3.107 -2.872 0.014) 4.231 1.578 ( -3.571 -5.876 1.351) 7.008 1.600 ( 0.911 -5.600 0.412) 5.689 1.733 ( -10.476 0.519 -5.506) 11.846 1.771 ( -0.568 0.238 -0.264) 0.670 1.812 ( -1.316 -0.174 -4.015) 4.228 1.882 ( -2.116 3.854 3.057) 5.355 1.899 ( -1.441 -2.271 2.602) 3.742 1.946 ( -4.963 -2.897 -3.015) 6.490 2.027 ( -0.552 0.267 -1.804) 1.906 2.095 ( 1.000 -3.562 -3.720) 5.246 2.164 ( 2.613 1.368 3.010) 4.214 2.216 ( 4.654 -2.244 1.737) 5.450 2.300 ( 2.270 -0.766 -1.469) 2.811 2.342 ( 2.477 -0.496 0.536) 2.582 2.374 ( 7.135 1.797 1.801) 7.575 2.487 ( 6.179 -3.365 2.984) 7.642 2.488 ( 0.292 2.980 -1.614) 3.401 2.538 ( -3.063 -0.370 1.997) 3.675 2.547 ( -1.539 -2.453 -0.856) 3.020 2.588 ( 1.696 -3.185 0.585) 3.656 2.676 ( -0.159 2.815 2.511) 3.776 2.735 ( -4.005 1.252 -1.391) 4.421 2.799 ( 4.137 -5.841 -2.735) 7.663 2.831 ( -2.659 -2.633 2.420) 4.456 2.873 ( -3.061 1.171 -0.657) 3.343 2.919 ( 1.907 -3.576 -2.211) 4.617 3.024 ( -0.049 -0.239 -0.548) 0.600 3.044 ( 0.259 -1.826 -1.914) 2.658 3.158 ( -2.557 0.036 -1.189) 2.821 3.170 ( -1.769 -0.917 -2.311) 3.052 3.203 ( -1.048 2.598 -0.843) 2.926 3.256 ( 0.537 -0.130 0.722) 0.909 3.304 ( 2.645 -1.853 0.766) 3.319 3.334 ( 1.399 -2.366 1.567) 3.164 3.390 ( -3.080 0.478 3.410) 4.619 3.409 ( -1.830 -0.897 1.992) 2.850 3.509 ( -1.732 0.137 0.642) 1.852 3.535 ( -1.786 -2.324 1.043) 3.111 3.587 ( -3.133 1.194 1.043) 3.511 3.612 ( -2.786 -0.785 -0.214) 2.902 3.665 ( -2.952 0.918 -0.435) 3.122 3.693 ( -2.187 -2.216 -0.054) 3.114 3.730 ( 2.148 0.846 -0.574) 2.378 3.745 ( 1.216 -0.682 -0.586) 1.512 3.834 ( -0.436 1.869 1.701) 2.564 3.862 ( 0.400 -0.126 0.278) 0.503 3.900 ( 0.594 0.928 0.422) 1.181 3.907 ( 1.031 0.324 -1.526) 1.869 4.121 ( -1.129 3.629 -1.222) 3.992 4.153 ( -0.215 0.727 0.385) 0.850 4.239 ( -1.634 2.316 -1.997) 3.467 4.260 ( 2.238 2.419 0.116) 3.298 4.280 ( 0.251 -2.329 -0.582) 2.414 4.315 ( 1.764 -0.191 -0.516) 1.848 4.345 ( 0.988 0.146 2.742) 2.919 4.384 ( 1.927 -1.897 2.504) 3.685 4.481 ( 0.343 1.178 -1.308) 1.793 4.532 ( 0.882 -2.981 -2.452) 3.959 4.601 ( -0.923 1.538 -0.905) 2.009 4.622 ( -1.671 -0.625 -1.113) 2.103 4.736 ( 0.246 2.183 -0.361) 2.227 4.764 ( -1.222 -0.371 0.921) 1.574 4.798 ( 1.082 1.119 0.005) 1.556 4.842 ( 3.649 -3.448 -2.309) 5.526 4.903 ( 0.804 2.289 2.636) 3.583 4.924 ( 0.588 0.888 -0.590) 1.217 5.015 ( 1.566 1.462 0.085) 2.144 5.056 ( 1.237 -2.858 -1.411) 3.420 5.117 ( 5.262 0.386 0.266) 5.283 5.137 ( 5.530 -1.465 -0.059) 5.721 5.259 ( 1.718 3.318 2.503) 4.497 5.293 ( 1.625 0.362 2.332) 2.865 5.310 ( 0.623 -0.344 -0.071) 0.715 5.355 ( 2.724 -2.600 -0.488) 3.797 5.434 ( 0.012 0.665 -0.473) 0.816 5.455 ( 0.118 -1.998 -1.492) 2.497 5.607 ( 0.857 2.060 1.105) 2.490 5.642 ( 1.594 -1.714 0.067) 2.342 5.719 ( -0.740 0.579 -0.721) 1.184 5.730 ( -0.709 -0.358 -0.615) 1.005 5.800 ( 1.540 2.397 0.088) 2.850 5.825 ( -0.604 0.419 -2.384) 2.494 5.843 ( -0.681 -0.051 -0.692) 0.973 5.872 ( 0.036 -2.005 -0.115) 2.008 5.950 ( 2.202 1.511 1.774) 3.206 5.967 ( 0.634 -0.180 1.816) 1.932 6.003 ( -5.446 0.100 1.955) 5.787 6.025 ( -4.070 -1.910 0.595) 4.535 6.130 ( -2.840 0.675 0.702) 3.002 6.144 ( -2.492 -0.751 0.243) 2.614 6.217 ( -1.041 1.448 0.109) 1.787 6.224 ( -0.625 1.083 0.561) 1.371 6.286 ( 1.533 1.443 -2.028) 2.923 6.317 ( 1.865 -1.999 -3.143) 4.165 6.669 ( 5.320 2.423 0.088) 5.846 6.699 ( 5.873 -0.561 0.440) 5.916 7.042 ( -0.614 1.297 0.309) 1.467 7.060 ( -0.026 -0.711 -0.117) 0.721 7.259 ( -4.694 2.266 0.008) 5.213 7.284 ( -4.304 -0.451 0.819) 4.404 7.342 ( -1.219 1.445 0.074) 1.892 7.387 ( -2.981 -2.750 -0.078) 4.057 7.423 ( 1.448 4.740 -0.368) 4.970 7.503 ( 0.415 -3.494 -0.159) 3.522 ======================= Grid point 76 (44/60) ======================= q-point: (-0.14 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( -4.425 14.053 -1.127) 14.777 1.301 ( -2.483 10.284 2.008) 10.768 1.346 ( -6.968 1.608 -0.228) 7.155 1.447 ( -7.414 -4.279 -3.753) 9.346 1.530 ( -0.655 3.566 0.475) 3.656 1.540 ( -2.042 -2.495 2.171) 3.887 1.613 ( -0.565 -5.536 1.305) 5.716 1.676 ( -5.421 -6.068 -2.405) 8.484 1.789 ( -1.964 5.207 2.830) 6.243 1.838 ( -3.140 -1.059 -0.669) 3.381 1.914 ( 0.073 3.047 1.887) 3.585 1.979 ( 1.024 0.833 4.403) 4.597 2.030 ( 3.501 -3.015 -1.921) 5.004 2.045 ( 1.548 -5.177 -4.110) 6.789 2.252 ( 1.810 0.714 2.552) 3.210 2.281 ( 0.084 -1.487 3.112) 3.450 2.350 ( 1.818 0.959 0.030) 2.056 2.374 ( 2.572 -0.833 0.610) 2.772 2.419 ( 0.704 -0.119 0.760) 1.042 2.474 ( -1.449 -4.195 -1.744) 4.769 2.555 ( 3.517 2.930 -1.761) 4.905 2.561 ( 2.745 3.984 2.233) 5.329 2.609 ( 2.731 -0.575 1.338) 3.095 2.640 ( -0.242 -0.324 -1.198) 1.264 2.651 ( 1.692 -2.411 -1.921) 3.517 2.710 ( -0.108 -3.459 2.385) 4.203 2.804 ( -2.273 1.743 -1.552) 3.258 2.825 ( -1.117 -1.047 1.838) 2.392 2.842 ( -0.623 -2.403 5.145) 5.712 2.914 ( -0.842 -6.925 -0.914) 7.036 3.007 ( -1.363 0.701 -2.035) 2.547 3.043 ( 1.509 -2.814 -1.252) 3.430 3.087 ( -1.352 0.685 -3.273) 3.607 3.091 ( 0.561 0.607 -3.115) 3.223 3.170 ( -2.346 1.262 -0.772) 2.773 3.235 ( -1.441 -3.789 -3.333) 5.248 3.324 ( -2.780 2.508 -0.941) 3.861 3.360 ( -4.111 0.456 1.409) 4.370 3.391 ( 1.968 -1.065 -0.696) 2.343 3.401 ( 2.011 -1.383 1.345) 2.787 3.494 ( -0.993 -0.196 -0.357) 1.073 3.517 ( -2.195 -2.036 -0.386) 3.019 3.553 ( -1.361 -0.077 2.038) 2.452 3.564 ( -1.769 -0.777 1.640) 2.534 3.637 ( -1.000 0.465 1.354) 1.746 3.657 ( -2.443 -1.686 0.869) 3.093 3.744 ( 0.992 0.597 -1.272) 1.720 3.756 ( 0.661 -0.775 -0.763) 1.273 3.846 ( -0.017 1.537 1.148) 1.919 3.869 ( 0.385 -0.719 0.173) 0.833 3.924 ( 1.994 1.750 -0.953) 2.819 3.934 ( 2.321 0.822 -1.016) 2.663 4.098 ( -1.248 4.178 0.843) 4.441 4.147 ( -1.096 -0.228 1.005) 1.504 4.198 ( -0.163 1.005 -0.641) 1.203 4.228 ( -1.675 -2.777 -2.310) 3.982 4.306 ( 1.990 1.050 -1.114) 2.511 4.340 ( 1.174 -1.862 0.709) 2.312 4.376 ( -1.331 4.174 -2.952) 5.282 4.412 ( 1.333 2.140 1.667) 3.023 4.505 ( 0.031 -3.085 -0.193) 3.091 4.519 ( 1.613 -2.518 1.374) 3.290 4.601 ( -0.137 0.820 0.281) 0.878 4.611 ( 1.485 -0.534 0.626) 1.698 4.714 ( -1.511 1.862 -0.352) 2.423 4.752 ( -0.662 -1.888 -0.014) 2.001 4.810 ( 0.552 1.381 0.041) 1.487 4.856 ( 1.033 -2.835 -1.490) 3.365 4.929 ( 1.390 2.274 0.184) 2.671 4.951 ( 2.477 0.786 0.645) 2.677 5.026 ( -0.623 1.449 -0.114) 1.581 5.070 ( 0.960 -2.494 0.259) 2.685 5.202 ( 4.655 2.567 -1.735) 5.592 5.246 ( 5.759 -1.781 -1.931) 6.330 5.309 ( 0.034 2.222 0.749) 2.345 5.324 ( 1.370 1.412 3.234) 3.785 5.347 ( 0.938 -0.941 1.408) 1.936 5.393 ( 2.029 -3.057 1.332) 3.903 5.444 ( 1.900 0.045 -0.841) 2.078 5.463 ( 1.951 -1.423 -0.495) 2.465 5.633 ( 0.485 2.637 1.453) 3.050 5.653 ( 0.349 0.104 -0.672) 0.764 5.702 ( -0.305 1.279 -0.880) 1.582 5.735 ( -0.540 -1.401 0.940) 1.771 5.762 ( -2.522 0.286 -2.004) 3.234 5.781 ( -2.173 -1.488 -2.324) 3.512 5.836 ( -0.208 2.235 1.277) 2.582 5.878 ( -0.125 -1.689 0.243) 1.711 5.928 ( -3.729 1.326 2.304) 4.580 5.947 ( -2.846 -0.055 2.219) 3.610 6.014 ( -0.686 0.273 1.759) 1.908 6.036 ( 1.837 -0.851 1.718) 2.655 6.076 ( -2.222 0.853 -1.085) 2.615 6.104 ( -0.700 -1.290 -0.741) 1.644 6.194 ( -1.170 1.525 -0.454) 1.976 6.213 ( -1.258 0.005 0.404) 1.321 6.299 ( 1.782 2.240 -0.900) 3.001 6.333 ( 2.470 -1.570 -1.426) 3.256 6.767 ( 5.997 3.041 -0.958) 6.792 6.800 ( 5.519 -0.181 -1.033) 5.618 7.036 ( -0.577 1.429 0.515) 1.625 7.054 ( -0.505 -0.548 -0.166) 0.763 7.176 ( -4.648 1.937 0.232) 5.041 7.208 ( -5.193 -1.422 1.014) 5.479 7.328 ( -0.976 0.933 1.082) 1.730 7.345 ( -1.882 -0.724 0.524) 2.083 7.438 ( 1.148 4.003 -1.179) 4.328 7.497 ( -0.118 -2.076 -1.472) 2.547 ======================= Grid point 98 (45/60) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( -3.978 0.000 -5.342) 6.660 0.764 ( 3.978 0.000 5.342) 6.660 0.824 ( 8.551 0.000 -4.353) 9.595 0.824 ( -8.551 0.000 4.353) 9.595 1.324 ( -9.860 0.000 -25.817) 27.636 1.324 ( 9.860 0.000 25.817) 27.636 1.777 ( -4.937 0.000 0.921) 5.022 1.777 ( 4.937 0.000 -0.921) 5.022 1.969 ( -4.221 0.000 -0.958) 4.328 1.969 ( 4.221 0.000 0.958) 4.328 2.050 ( -1.987 0.000 -0.076) 1.989 2.050 ( 1.987 0.000 0.076) 1.989 2.214 ( -1.478 0.000 -7.028) 7.182 2.214 ( 1.478 0.000 7.028) 7.182 2.281 ( -0.277 0.000 -0.264) 0.383 2.281 ( 0.277 0.000 0.264) 0.383 2.456 ( -4.255 0.000 -2.293) 4.834 2.456 ( 4.255 0.000 2.293) 4.834 2.553 ( 2.353 0.000 -5.413) 5.903 2.553 ( -2.353 0.000 5.413) 5.903 2.622 ( -3.046 0.000 -3.337) 4.518 2.622 ( 3.046 0.000 3.337) 4.518 2.732 ( -3.105 0.000 0.377) 3.128 2.732 ( 3.105 0.000 -0.377) 3.128 2.861 ( -3.555 0.000 -5.674) 6.696 2.861 ( 3.555 0.000 5.674) 6.696 2.886 ( -1.584 0.000 -0.491) 1.658 2.886 ( 1.584 0.000 0.491) 1.658 2.983 ( 1.930 0.000 -0.865) 2.115 2.983 ( -1.930 0.000 0.865) 2.115 3.061 ( -7.300 0.000 -0.846) 7.349 3.061 ( 7.300 0.000 0.846) 7.349 3.135 ( -0.582 0.000 -1.163) 1.300 3.135 ( 0.582 0.000 1.163) 1.300 3.297 ( -3.982 0.000 0.489) 4.012 3.297 ( 3.982 0.000 -0.489) 4.012 3.331 ( 0.050 0.000 -1.552) 1.553 3.331 ( -0.050 0.000 1.552) 1.553 3.399 ( -3.245 0.000 -3.512) 4.782 3.399 ( 3.245 0.000 3.512) 4.782 3.552 ( -0.557 0.000 -2.420) 2.483 3.552 ( 0.557 0.000 2.420) 2.483 3.591 ( 1.453 0.000 -5.025) 5.231 3.591 ( -1.453 0.000 5.025) 5.231 3.617 ( -0.082 0.000 -0.393) 0.402 3.617 ( 0.082 0.000 0.393) 0.402 3.751 ( -3.296 0.000 -0.542) 3.340 3.751 ( 3.296 0.000 0.542) 3.340 3.770 ( 0.884 0.000 -0.730) 1.146 3.770 ( -0.884 0.000 0.730) 1.146 3.847 ( -2.842 0.000 -3.054) 4.172 3.847 ( 2.842 0.000 3.054) 4.172 4.068 ( -0.248 0.000 -2.565) 2.577 4.068 ( 0.248 0.000 2.565) 2.577 4.151 ( -0.390 0.000 -3.584) 3.605 4.151 ( 0.390 0.000 3.584) 3.605 4.267 ( -2.542 0.000 -1.984) 3.225 4.267 ( 2.542 0.000 1.984) 3.225 4.439 ( -2.085 0.000 0.531) 2.152 4.439 ( 2.085 0.000 -0.531) 2.152 4.495 ( -1.989 0.000 -2.482) 3.181 4.495 ( 1.989 0.000 2.482) 3.181 4.671 ( -0.468 0.000 -3.079) 3.115 4.671 ( 0.468 0.000 3.079) 3.115 4.788 ( -0.769 0.000 -3.801) 3.878 4.788 ( 0.769 0.000 3.801) 3.878 4.875 ( -2.358 0.000 -0.519) 2.414 4.875 ( 2.358 0.000 0.519) 2.414 4.883 ( -2.397 0.000 -0.913) 2.565 4.883 ( 2.397 0.000 0.913) 2.565 4.970 ( -2.231 0.000 0.380) 2.263 4.970 ( 2.231 0.000 -0.380) 2.263 5.219 ( 1.586 0.000 -0.754) 1.756 5.219 ( -1.586 0.000 0.754) 1.756 5.337 ( -0.923 0.000 -0.609) 1.106 5.337 ( 0.923 0.000 0.609) 1.106 5.366 ( -3.093 0.000 0.924) 3.228 5.366 ( 3.093 0.000 -0.924) 3.228 5.522 ( 1.989 0.000 -3.264) 3.822 5.522 ( -1.989 0.000 3.264) 3.822 5.572 ( -2.464 0.000 -4.981) 5.558 5.572 ( 2.464 0.000 4.981) 5.558 5.686 ( 1.502 0.000 -1.801) 2.345 5.686 ( -1.502 0.000 1.801) 2.345 5.845 ( 2.778 0.000 -1.086) 2.983 5.845 ( -2.778 0.000 1.086) 2.983 5.853 ( 1.288 0.000 -4.090) 4.288 5.853 ( -1.288 0.000 4.090) 4.288 5.875 ( -2.219 0.000 -0.676) 2.319 5.875 ( 2.219 0.000 0.676) 2.319 6.012 ( -3.951 0.000 -3.106) 5.025 6.012 ( 3.951 0.000 3.106) 5.025 6.102 ( -1.571 0.000 -1.085) 1.909 6.102 ( 1.571 0.000 1.085) 1.909 6.145 ( -0.298 0.000 -0.038) 0.301 6.145 ( 0.298 0.000 0.038) 0.301 6.321 ( 0.462 0.000 -7.710) 7.724 6.321 ( -0.462 0.000 7.710) 7.724 6.652 ( -2.685 0.000 0.753) 2.788 6.652 ( 2.685 0.000 -0.753) 2.788 7.040 ( 1.405 0.000 -2.500) 2.868 7.040 ( -1.405 0.000 2.500) 2.868 7.145 ( -1.513 0.000 -3.464) 3.780 7.145 ( 1.513 0.000 3.464) 3.780 7.289 ( 6.028 0.000 -3.228) 6.838 7.289 ( -6.028 0.000 3.228) 6.838 7.395 ( -1.032 0.000 -3.737) 3.877 7.395 ( 1.032 0.000 3.737) 3.877 ======================= Grid point 100 (46/60) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.677 ( 13.262 0.000 -15.855) 20.670 0.726 ( 3.592 0.000 -22.439) 22.724 0.921 ( 2.050 0.000 16.032) 16.162 1.100 ( 14.713 0.000 2.585) 14.939 1.136 ( 15.427 0.000 -3.367) 15.790 1.685 ( -6.762 0.000 1.227) 6.872 1.750 ( 10.664 0.000 12.120) 16.144 1.826 ( 1.432 0.000 -0.408) 1.488 1.874 ( -6.727 0.000 -1.723) 6.945 1.972 ( -5.634 0.000 1.235) 5.767 2.011 ( -1.891 0.000 -1.783) 2.599 2.020 ( 1.032 0.000 -3.442) 3.593 2.161 ( 3.086 0.000 -8.064) 8.634 2.244 ( -2.227 0.000 0.989) 2.436 2.295 ( 0.496 0.000 -0.289) 0.574 2.328 ( -6.596 0.000 -1.289) 6.720 2.407 ( 6.006 0.000 8.328) 10.268 2.426 ( -7.680 0.000 -0.765) 7.718 2.512 ( -2.970 0.000 3.045) 4.254 2.517 ( -5.847 0.000 8.044) 9.945 2.606 ( -6.416 0.000 -4.487) 7.829 2.615 ( 4.456 0.000 -4.838) 6.578 2.695 ( 3.034 0.000 -2.049) 3.661 2.750 ( 5.577 0.000 -0.068) 5.577 2.856 ( 1.847 0.000 -0.338) 1.878 2.873 ( -6.199 0.000 0.164) 6.201 2.913 ( 0.434 0.000 -0.736) 0.854 2.928 ( 7.069 0.000 -0.813) 7.115 2.971 ( -0.690 0.000 4.079) 4.136 3.026 ( 4.051 0.000 -1.642) 4.371 3.058 ( 4.035 0.000 1.836) 4.433 3.096 ( -0.896 0.000 -2.152) 2.331 3.138 ( -0.999 0.000 0.535) 1.133 3.174 ( 2.443 0.000 0.771) 2.562 3.294 ( 0.495 0.000 -3.755) 3.787 3.311 ( -1.785 0.000 -1.061) 2.076 3.326 ( -1.710 0.000 -0.455) 1.770 3.347 ( 3.929 0.000 5.684) 6.910 3.378 ( 2.976 0.000 0.547) 3.026 3.484 ( 1.411 0.000 4.582) 4.794 3.511 ( -1.174 0.000 -2.374) 2.649 3.562 ( 1.454 0.000 -3.545) 3.832 3.562 ( -2.205 0.000 -0.158) 2.211 3.592 ( -1.360 0.000 3.505) 3.759 3.648 ( 2.211 0.000 0.393) 2.246 3.669 ( 1.814 0.000 1.627) 2.437 3.701 ( -0.673 0.000 2.178) 2.279 3.742 ( -2.089 0.000 -3.342) 3.942 3.780 ( 0.370 0.000 0.308) 0.481 3.784 ( 1.573 0.000 1.443) 2.135 3.828 ( 2.307 0.000 -0.607) 2.385 3.897 ( -1.340 0.000 1.015) 1.681 4.003 ( -0.991 0.000 -5.676) 5.762 4.066 ( -2.309 0.000 1.234) 2.618 4.126 ( -0.933 0.000 0.329) 0.989 4.190 ( -0.828 0.000 2.167) 2.320 4.207 ( -1.809 0.000 -1.937) 2.650 4.363 ( 4.735 0.000 6.225) 7.821 4.406 ( -1.764 0.000 0.426) 1.815 4.421 ( -3.302 0.000 -0.642) 3.364 4.472 ( 2.471 0.000 -1.920) 3.129 4.535 ( 0.292 0.000 1.846) 1.868 4.626 ( 0.632 0.000 -4.279) 4.325 4.679 ( -3.333 0.000 1.028) 3.488 4.727 ( -4.497 0.000 -3.328) 5.595 4.801 ( 1.831 0.000 -2.221) 2.878 4.810 ( -2.655 0.000 -2.575) 3.699 4.851 ( -0.878 0.000 -0.604) 1.066 4.915 ( 3.599 0.000 4.424) 5.703 4.921 ( 0.227 0.000 1.847) 1.861 4.996 ( 0.779 0.000 3.779) 3.859 5.031 ( -0.004 0.000 3.084) 3.084 5.189 ( -3.437 0.000 2.708) 4.376 5.198 ( -6.902 0.000 0.816) 6.950 5.280 ( -4.331 0.000 -1.171) 4.486 5.282 ( -0.458 0.000 -0.861) 0.976 5.363 ( -1.326 0.000 2.900) 3.189 5.371 ( -0.670 0.000 -1.466) 1.612 5.480 ( -0.917 0.000 -4.067) 4.169 5.522 ( -1.766 0.000 0.478) 1.830 5.530 ( 1.235 0.000 -4.164) 4.344 5.650 ( -1.221 0.000 4.393) 4.559 5.696 ( 1.958 0.000 1.336) 2.370 5.702 ( 2.939 0.000 -1.557) 3.326 5.799 ( -3.327 0.000 -2.387) 4.094 5.804 ( -1.838 0.000 1.802) 2.574 5.841 ( 1.820 0.000 -1.626) 2.440 5.898 ( 1.546 0.000 1.380) 2.072 5.903 ( -2.486 0.000 -2.731) 3.693 5.930 ( 4.656 0.000 -1.149) 4.795 5.952 ( 3.678 0.000 2.152) 4.261 6.034 ( -1.697 0.000 -5.374) 5.635 6.051 ( 0.120 0.000 -0.642) 0.653 6.141 ( 1.179 0.000 1.328) 1.776 6.158 ( 0.258 0.000 0.506) 0.568 6.160 ( 0.736 0.000 0.818) 1.100 6.281 ( 3.459 0.000 -4.935) 6.027 6.397 ( 0.905 0.000 4.589) 4.677 6.586 ( -3.695 0.000 -0.005) 3.695 6.644 ( -1.896 0.000 -0.832) 2.071 7.001 ( -1.864 0.000 -3.519) 3.982 7.050 ( -1.456 0.000 4.489) 4.720 7.126 ( 3.494 0.000 -2.404) 4.241 7.187 ( 0.285 0.000 1.251) 1.283 7.280 ( 0.345 0.000 2.895) 2.915 7.348 ( 2.543 0.000 -1.340) 2.874 7.460 ( 9.159 0.000 0.982) 9.212 7.494 ( 4.918 0.000 3.084) 5.805 ======================= Grid point 101 (47/60) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 15.354 0.000 -10.711) 18.721 0.872 ( 19.670 0.000 -4.754) 20.237 1.166 ( 9.143 0.000 9.097) 12.898 1.423 ( 21.792 0.000 -2.364) 21.920 1.478 ( 15.405 0.000 7.991) 17.354 1.562 ( -9.551 0.000 1.378) 9.650 1.695 ( -6.788 0.000 -6.862) 9.652 1.808 ( -2.262 0.000 -7.620) 7.949 1.821 ( -5.630 0.000 4.179) 7.012 1.916 ( -4.153 0.000 -5.356) 6.778 1.969 ( -2.676 0.000 -3.662) 4.536 1.975 ( 0.982 0.000 2.626) 2.803 2.082 ( 2.276 0.000 -10.587) 10.829 2.169 ( -7.084 0.000 1.756) 7.298 2.249 ( -5.117 0.000 -3.289) 6.083 2.261 ( -1.846 0.000 1.039) 2.118 2.319 ( -3.744 0.000 0.579) 3.788 2.456 ( -3.026 0.000 -2.807) 4.128 2.502 ( -1.056 0.000 6.858) 6.938 2.541 ( -0.359 0.000 5.545) 5.556 2.651 ( 3.365 0.000 8.510) 9.151 2.672 ( 0.453 0.000 0.153) 0.479 2.729 ( 8.898 0.000 -6.831) 11.218 2.811 ( 2.602 0.000 -0.930) 2.763 2.826 ( 0.031 0.000 2.085) 2.085 2.896 ( 3.110 0.000 -1.181) 3.326 2.910 ( -1.293 0.000 1.708) 2.142 3.004 ( 0.007 0.000 0.420) 0.420 3.024 ( 1.057 0.000 4.081) 4.216 3.045 ( 2.318 0.000 -4.362) 4.940 3.122 ( 2.711 0.000 0.357) 2.734 3.131 ( 3.160 0.000 5.253) 6.130 3.137 ( 3.120 0.000 -1.678) 3.543 3.171 ( -1.991 0.000 -4.987) 5.370 3.256 ( -1.506 0.000 -2.106) 2.589 3.281 ( 0.664 0.000 -0.821) 1.056 3.292 ( -2.339 0.000 1.530) 2.795 3.386 ( -1.435 0.000 -2.258) 2.675 3.436 ( -0.500 0.000 -1.147) 1.251 3.488 ( 1.511 0.000 0.565) 1.613 3.506 ( -2.202 0.000 1.730) 2.800 3.538 ( -1.142 0.000 2.988) 3.198 3.591 ( 2.967 0.000 1.130) 3.174 3.619 ( -0.023 0.000 2.206) 2.206 3.692 ( 2.565 0.000 -0.380) 2.593 3.708 ( 1.155 0.000 0.264) 1.185 3.714 ( 2.732 0.000 1.917) 3.338 3.749 ( 0.923 0.000 3.468) 3.589 3.774 ( -0.326 0.000 -1.700) 1.731 3.801 ( -3.795 0.000 -1.017) 3.929 3.833 ( 0.579 0.000 -1.078) 1.224 3.863 ( 0.889 0.000 1.119) 1.430 3.958 ( 1.247 0.000 -2.854) 3.115 4.027 ( -4.380 0.000 3.207) 5.429 4.102 ( -2.683 0.000 -0.637) 2.757 4.157 ( -3.542 0.000 -1.056) 3.696 4.182 ( 1.154 0.000 -0.136) 1.162 4.370 ( -2.170 0.000 1.097) 2.431 4.381 ( -0.424 0.000 -1.518) 1.576 4.476 ( -1.827 0.000 0.039) 1.827 4.485 ( 1.202 0.000 -1.404) 1.848 4.576 ( 1.685 0.000 2.767) 3.240 4.598 ( -1.070 0.000 -1.293) 1.678 4.635 ( 4.687 0.000 0.569) 4.721 4.689 ( -2.743 0.000 3.535) 4.474 4.712 ( -4.867 0.000 -0.928) 4.954 4.821 ( -1.133 0.000 -2.257) 2.526 4.822 ( 2.330 0.000 -2.592) 3.486 4.922 ( -1.519 0.000 0.783) 1.709 4.979 ( -1.696 0.000 -1.210) 2.083 5.036 ( 0.119 0.000 4.637) 4.638 5.044 ( -1.065 0.000 5.306) 5.412 5.094 ( -5.028 0.000 1.910) 5.378 5.162 ( -5.385 0.000 0.482) 5.406 5.187 ( -2.592 0.000 2.014) 3.282 5.235 ( -1.892 0.000 -4.646) 5.016 5.316 ( -0.717 0.000 -6.077) 6.119 5.385 ( -4.803 0.000 -0.509) 4.830 5.461 ( 1.939 0.000 -1.390) 2.386 5.490 ( 1.374 0.000 3.716) 3.961 5.503 ( 0.290 0.000 -1.187) 1.222 5.623 ( -4.724 0.000 4.029) 6.209 5.732 ( -2.442 0.000 0.632) 2.522 5.747 ( 3.300 0.000 -1.412) 3.589 5.773 ( 4.652 0.000 0.001) 4.652 5.806 ( -0.210 0.000 1.186) 1.205 5.858 ( -0.999 0.000 -1.500) 1.803 5.877 ( 3.040 0.000 -1.008) 3.203 5.912 ( -0.692 0.000 -0.434) 0.817 5.979 ( 3.340 0.000 -4.623) 5.703 5.999 ( 2.844 0.000 0.609) 2.908 6.017 ( 2.166 0.000 -1.183) 2.468 6.050 ( -0.718 0.000 2.429) 2.533 6.151 ( -0.381 0.000 -0.697) 0.794 6.162 ( 0.377 0.000 -0.475) 0.606 6.168 ( 0.106 0.000 -0.045) 0.115 6.321 ( 3.565 0.000 -0.811) 3.656 6.429 ( -0.336 0.000 0.052) 0.340 6.549 ( -2.804 0.000 2.719) 3.906 6.598 ( -2.560 0.000 0.232) 2.570 6.965 ( 2.475 0.000 -3.000) 3.889 7.076 ( -2.288 0.000 5.406) 5.870 7.172 ( 3.134 0.000 -0.877) 3.254 7.195 ( 0.883 0.000 -1.155) 1.454 7.324 ( 1.576 0.000 1.531) 2.197 7.380 ( 2.505 0.000 -1.713) 3.035 7.583 ( 3.745 0.000 0.006) 3.745 7.596 ( 3.696 0.000 1.234) 3.896 ======================= Grid point 102 (48/60) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 18.717 0.000 1.619) 18.787 1.163 ( 11.229 0.000 0.100) 11.230 1.322 ( -3.711 0.000 -1.062) 3.860 1.443 ( 4.162 0.000 3.156) 5.224 1.489 ( -10.479 0.000 -4.129) 11.263 1.592 ( -6.387 0.000 1.275) 6.513 1.725 ( 2.675 0.000 -4.622) 5.340 1.746 ( 4.470 0.000 1.835) 4.832 1.825 ( -1.636 0.000 0.798) 1.821 1.827 ( -2.064 0.000 -0.259) 2.080 1.871 ( 9.143 0.000 -3.190) 9.684 2.017 ( -0.195 0.000 3.920) 3.925 2.046 ( 2.430 0.000 -5.501) 6.014 2.052 ( -6.838 0.000 -2.454) 7.265 2.209 ( 4.095 0.000 0.883) 4.189 2.235 ( -1.613 0.000 0.850) 1.823 2.252 ( -1.514 0.000 -2.195) 2.666 2.356 ( -6.734 0.000 -2.001) 7.026 2.597 ( 1.963 0.000 6.482) 6.773 2.605 ( 0.730 0.000 5.588) 5.636 2.696 ( 3.412 0.000 -2.085) 3.999 2.726 ( 0.133 0.000 0.868) 0.878 2.766 ( -0.246 0.000 -0.946) 0.978 2.788 ( -1.316 0.000 -4.466) 4.656 2.881 ( -1.335 0.000 5.224) 5.392 2.903 ( 2.067 0.000 -5.649) 6.015 2.921 ( 4.071 0.000 -1.244) 4.257 2.981 ( -3.467 0.000 -0.394) 3.489 3.021 ( -1.702 0.000 2.176) 2.763 3.026 ( -1.889 0.000 -1.874) 2.661 3.107 ( 2.789 0.000 -2.130) 3.509 3.154 ( -2.461 0.000 -0.741) 2.570 3.200 ( 3.408 0.000 1.718) 3.816 3.221 ( 2.091 0.000 1.156) 2.389 3.237 ( 1.754 0.000 0.952) 1.996 3.267 ( -1.238 0.000 -0.705) 1.425 3.268 ( -2.150 0.000 1.159) 2.442 3.309 ( -2.758 0.000 -3.550) 4.495 3.437 ( 2.053 0.000 -0.424) 2.096 3.481 ( -3.292 0.000 0.855) 3.401 3.527 ( 2.296 0.000 1.510) 2.748 3.561 ( 0.566 0.000 1.242) 1.365 3.616 ( -1.457 0.000 0.926) 1.727 3.628 ( 0.248 0.000 -0.480) 0.541 3.701 ( -0.149 0.000 0.584) 0.603 3.719 ( -1.866 0.000 0.375) 1.903 3.755 ( 2.952 0.000 -0.340) 2.972 3.773 ( -0.879 0.000 2.280) 2.444 3.818 ( 4.840 0.000 0.161) 4.843 3.825 ( 3.467 0.000 1.308) 3.706 3.856 ( 1.264 0.000 1.234) 1.767 3.881 ( 0.192 0.000 -0.969) 0.988 3.969 ( 2.315 0.000 0.171) 2.322 3.995 ( -4.728 0.000 5.249) 7.065 4.025 ( -2.683 0.000 -2.734) 3.831 4.061 ( -3.872 0.000 -3.574) 5.269 4.226 ( 3.101 0.000 0.236) 3.110 4.309 ( -3.689 0.000 -4.409) 5.749 4.385 ( -0.015 0.000 3.206) 3.206 4.419 ( -1.010 0.000 -2.048) 2.284 4.514 ( 3.232 0.000 -0.192) 3.237 4.570 ( -4.716 0.000 1.369) 4.910 4.611 ( 1.912 0.000 1.489) 2.424 4.653 ( 0.740 0.000 -1.098) 1.324 4.715 ( -0.506 0.000 7.449) 7.466 4.731 ( 2.100 0.000 -0.295) 2.121 4.808 ( 0.042 0.000 -3.159) 3.160 4.824 ( 2.818 0.000 2.517) 3.779 4.885 ( -4.249 0.000 -7.177) 8.341 4.894 ( -1.370 0.000 -1.546) 2.065 5.025 ( -2.741 0.000 0.667) 2.821 5.053 ( -4.818 0.000 -0.135) 4.820 5.093 ( -1.292 0.000 7.546) 7.656 5.108 ( 1.083 0.000 5.463) 5.569 5.169 ( 0.320 0.000 -6.641) 6.649 5.179 ( -0.829 0.000 -2.371) 2.511 5.254 ( 1.244 0.000 -4.191) 4.371 5.273 ( -4.281 0.000 0.661) 4.332 5.488 ( 2.664 0.000 -1.551) 3.082 5.520 ( -2.314 0.000 1.300) 2.654 5.538 ( 3.491 0.000 0.992) 3.629 5.606 ( -4.091 0.000 2.821) 4.969 5.737 ( 0.672 0.000 3.439) 3.504 5.768 ( 0.968 0.000 -1.928) 2.157 5.817 ( 0.262 0.000 0.662) 0.712 5.821 ( 0.880 0.000 -1.599) 1.825 5.855 ( 0.769 0.000 1.758) 1.919 5.879 ( -1.507 0.000 -0.997) 1.807 5.911 ( 4.632 0.000 -2.126) 5.097 5.992 ( -3.118 0.000 -1.390) 3.413 6.017 ( 2.427 0.000 0.981) 2.618 6.055 ( -1.287 0.000 0.396) 1.346 6.064 ( 3.731 0.000 0.233) 3.738 6.121 ( -2.555 0.000 0.127) 2.558 6.169 ( 1.607 0.000 -1.601) 2.269 6.173 ( -0.177 0.000 0.688) 0.710 6.363 ( 0.991 0.000 1.400) 1.715 6.399 ( -0.973 0.000 -2.348) 2.541 6.543 ( -0.547 0.000 1.879) 1.957 6.565 ( -1.411 0.000 -0.277) 1.438 7.009 ( 4.800 0.000 -1.812) 5.131 7.066 ( -4.396 0.000 3.363) 5.535 7.202 ( 1.100 0.000 -0.797) 1.358 7.203 ( 0.982 0.000 -0.240) 1.011 7.361 ( 0.760 0.000 1.608) 1.778 7.384 ( 0.596 0.000 -2.306) 2.382 7.626 ( 2.352 0.000 -0.855) 2.503 7.640 ( 0.442 0.000 0.261) 0.513 ======================= Grid point 106 (49/60) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -2.432 2.842 -18.321) 18.699 0.791 ( 2.432 2.842 18.321) 18.699 0.915 ( 7.214 10.843 -16.386) 20.932 0.915 ( -7.214 10.843 16.386) 20.932 1.471 ( -7.167 12.450 -20.677) 25.178 1.471 ( 7.167 12.450 20.677) 25.178 1.764 ( 2.294 -2.664 -4.036) 5.353 1.764 ( -2.294 -2.664 4.036) 5.353 1.861 ( -0.383 -5.416 -1.309) 5.585 1.861 ( 0.383 -5.416 1.309) 5.585 2.103 ( -2.173 0.450 -0.234) 2.231 2.103 ( 2.173 0.450 0.234) 2.231 2.194 ( -2.352 -3.821 -2.508) 5.140 2.194 ( 2.352 -3.821 2.508) 5.140 2.264 ( -6.496 0.682 -4.288) 7.813 2.264 ( 6.496 0.682 4.288) 7.813 2.411 ( -1.979 -2.212 -3.931) 4.926 2.411 ( 1.979 -2.212 3.931) 4.926 2.468 ( -4.030 -6.925 0.229) 8.016 2.468 ( 4.030 -6.925 -0.229) 8.016 2.630 ( -2.444 -1.569 -1.654) 3.342 2.630 ( 2.444 -1.569 1.654) 3.342 2.721 ( 0.168 -0.293 -3.327) 3.344 2.721 ( -0.168 -0.293 3.327) 3.344 2.795 ( 2.306 -5.180 -3.856) 6.857 2.795 ( -2.306 -5.180 3.856) 6.857 2.893 ( -1.634 0.573 -2.431) 2.985 2.893 ( 1.634 0.573 2.431) 2.985 3.014 ( -0.748 0.860 -2.366) 2.626 3.014 ( 0.748 0.860 2.366) 2.626 3.042 ( -6.135 -3.220 -1.172) 7.027 3.042 ( 6.135 -3.220 1.172) 7.027 3.105 ( 0.803 -1.265 -2.495) 2.910 3.105 ( -0.803 -1.265 2.495) 2.910 3.242 ( -1.617 -2.453 -3.195) 4.341 3.242 ( 1.617 -2.453 3.195) 4.341 3.321 ( -2.458 -4.658 -1.539) 5.487 3.321 ( 2.458 -4.658 1.539) 5.487 3.404 ( -0.319 0.315 -1.830) 1.884 3.404 ( 0.319 0.315 1.830) 1.884 3.541 ( -0.620 0.583 -0.989) 1.305 3.541 ( 0.620 0.583 0.989) 1.305 3.588 ( 0.180 -0.654 -1.907) 2.024 3.588 ( -0.180 -0.654 1.907) 2.024 3.623 ( 0.060 1.141 -3.686) 3.859 3.623 ( -0.060 1.141 3.686) 3.859 3.751 ( -0.259 -1.553 -1.112) 1.928 3.751 ( 0.259 -1.553 1.112) 1.928 3.810 ( -3.437 4.668 0.001) 5.797 3.810 ( 3.437 4.668 -0.001) 5.797 3.856 ( -2.327 1.096 -0.941) 2.738 3.856 ( 2.327 1.096 0.941) 2.738 4.053 ( -0.580 0.255 -4.829) 4.870 4.053 ( 0.580 0.255 4.829) 4.870 4.201 ( -0.107 1.382 -0.393) 1.441 4.201 ( 0.107 1.382 0.393) 1.441 4.279 ( 0.099 2.279 -3.918) 4.533 4.279 ( -0.099 2.279 3.918) 4.533 4.403 ( -2.891 -3.134 -0.264) 4.272 4.403 ( 2.891 -3.134 0.264) 4.272 4.532 ( -1.889 2.697 -2.860) 4.361 4.532 ( 1.889 2.697 2.860) 4.361 4.669 ( 0.256 0.264 -4.727) 4.742 4.669 ( -0.256 0.264 4.727) 4.742 4.760 ( -0.989 -2.707 -4.674) 5.491 4.760 ( 0.989 -2.707 4.674) 5.491 4.873 ( -0.776 0.818 -2.367) 2.622 4.873 ( 0.776 0.818 2.367) 2.622 4.888 ( -0.872 0.560 -1.848) 2.119 4.888 ( 0.872 0.560 1.848) 2.119 5.011 ( -3.573 2.693 -4.254) 6.174 5.011 ( 3.573 2.693 4.254) 6.174 5.193 ( 2.063 -2.611 -2.224) 4.002 5.193 ( -2.063 -2.611 2.224) 4.002 5.329 ( -4.082 0.835 0.243) 4.173 5.329 ( 4.082 0.835 -0.243) 4.173 5.407 ( -1.871 2.533 0.001) 3.149 5.407 ( 1.871 2.533 -0.001) 3.149 5.518 ( 2.748 -0.743 -2.431) 3.743 5.518 ( -2.748 -0.743 2.431) 3.743 5.594 ( -0.083 2.194 -3.895) 4.472 5.594 ( 0.083 2.194 3.895) 4.472 5.676 ( -2.776 -0.452 -0.244) 2.823 5.676 ( 2.776 -0.452 0.244) 2.823 5.819 ( -2.879 -2.538 -0.858) 3.933 5.819 ( 2.879 -2.538 0.858) 3.933 5.846 ( -1.871 -0.773 -2.264) 3.037 5.846 ( 1.871 -0.773 2.264) 3.037 5.904 ( -1.427 2.771 -2.071) 3.743 5.904 ( 1.427 2.771 2.071) 3.743 6.022 ( -3.669 0.606 -2.476) 4.468 6.022 ( 3.669 0.606 2.476) 4.468 6.091 ( -2.097 -1.087 -3.124) 3.916 6.091 ( 2.097 -1.087 3.124) 3.916 6.147 ( 1.441 0.418 -0.928) 1.764 6.147 ( -1.441 0.418 0.928) 1.764 6.319 ( 0.918 0.155 -6.053) 6.124 6.319 ( -0.918 0.155 6.053) 6.124 6.686 ( -2.599 3.282 0.601) 4.229 6.686 ( 2.599 3.282 -0.601) 4.229 7.032 ( 2.095 -0.451 -2.680) 3.432 7.032 ( -2.095 -0.451 2.680) 3.432 7.140 ( -2.472 -0.049 -3.081) 3.951 7.140 ( 2.472 -0.049 3.081) 3.951 7.312 ( 2.118 2.088 -1.993) 3.580 7.312 ( -2.118 2.088 1.993) 3.580 7.390 ( -1.255 -0.284 -3.898) 4.105 7.390 ( 1.255 -0.284 3.898) 4.105 ======================= Grid point 108 (50/60) ======================= q-point: ( 0.14 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( 10.346 5.295 -12.843) 17.321 0.866 ( 6.289 11.516 -14.528) 19.576 1.022 ( 3.213 9.260 9.789) 13.852 1.122 ( 8.334 2.179 16.759) 18.843 1.292 ( 14.132 13.844 -15.018) 24.838 1.686 ( -2.396 -0.572 -0.708) 2.563 1.772 ( 2.503 1.282 4.816) 5.577 1.791 ( -0.959 -4.914 0.356) 5.019 1.871 ( 3.600 1.965 2.387) 4.745 1.924 ( 1.359 -3.012 2.255) 4.000 1.998 ( -5.897 -0.100 -3.237) 6.728 2.085 ( 2.572 -5.600 -10.220) 11.934 2.102 ( -4.879 1.037 -0.417) 5.005 2.179 ( -2.523 -2.264 4.068) 5.295 2.238 ( 0.078 -3.289 0.375) 3.311 2.344 ( -4.814 -4.296 1.202) 6.564 2.370 ( -3.828 -0.965 -0.833) 4.035 2.415 ( 2.070 -0.763 3.855) 4.442 2.481 ( -2.040 -1.080 4.744) 5.276 2.506 ( -0.222 -3.471 1.071) 3.639 2.597 ( 4.517 -2.162 -3.812) 6.293 2.635 ( -3.073 0.744 -3.009) 4.364 2.643 ( 0.269 -0.450 2.417) 2.473 2.758 ( 0.584 -0.952 -1.757) 2.081 2.791 ( -0.248 -5.111 -2.729) 5.800 2.837 ( 3.244 -6.664 3.451) 8.175 2.859 ( 1.221 -2.080 -2.523) 3.490 2.905 ( -4.184 0.009 -0.373) 4.201 2.972 ( 3.664 -1.906 1.539) 4.407 3.022 ( 2.600 -0.091 1.446) 2.976 3.054 ( -2.150 -4.686 -1.395) 5.341 3.076 ( -0.161 -2.800 0.369) 2.828 3.109 ( 2.568 4.013 0.929) 4.854 3.197 ( 6.080 -1.380 1.390) 6.388 3.215 ( 0.275 -6.438 -2.049) 6.762 3.258 ( -2.094 -4.250 -0.100) 4.739 3.324 ( 1.959 -1.058 2.356) 3.241 3.336 ( -1.903 -0.807 -0.694) 2.181 3.402 ( 1.231 0.027 2.267) 2.580 3.434 ( 0.294 -2.445 1.308) 2.788 3.531 ( 0.382 0.575 -0.031) 0.691 3.554 ( 0.352 0.175 -1.472) 1.524 3.580 ( -0.786 1.276 1.618) 2.206 3.591 ( 2.021 1.021 -1.050) 2.496 3.631 ( 1.100 -1.507 0.280) 1.887 3.684 ( 1.981 0.858 3.394) 4.023 3.715 ( -2.522 -0.853 -0.621) 2.734 3.760 ( 0.190 -0.532 0.747) 0.936 3.768 ( -0.979 3.882 0.350) 4.019 3.824 ( 0.024 2.037 -1.091) 2.311 3.871 ( 3.136 4.218 -0.302) 5.265 3.895 ( 0.937 0.522 -0.970) 1.446 3.986 ( -1.037 0.058 -4.264) 4.389 4.091 ( -0.886 1.799 2.211) 2.985 4.170 ( -4.195 2.293 0.851) 4.856 4.173 ( -1.992 -2.166 -1.310) 3.221 4.258 ( 0.796 5.415 -0.945) 5.554 4.337 ( -0.367 -3.062 3.197) 4.442 4.357 ( 0.425 -1.798 2.041) 2.753 4.440 ( 0.942 -1.053 -0.830) 1.639 4.488 ( 0.730 2.156 -1.386) 2.665 4.572 ( 0.005 3.229 0.904) 3.353 4.626 ( 0.459 0.438 -3.534) 3.590 4.678 ( -3.535 -0.855 -0.939) 3.756 4.709 ( 0.074 -2.083 -2.215) 3.041 4.774 ( -2.296 -1.739 -0.590) 2.940 4.823 ( -1.286 2.002 -2.002) 3.109 4.876 ( -2.064 1.873 -1.248) 3.054 4.901 ( 0.958 -1.904 3.272) 3.905 4.914 ( -0.952 -0.680 1.539) 1.933 4.957 ( 1.828 0.454 2.208) 2.902 5.079 ( -0.615 0.350 2.150) 2.264 5.165 ( -5.098 -0.133 3.039) 5.936 5.196 ( -0.967 -1.731 2.264) 3.009 5.242 ( -4.738 -0.456 -0.227) 4.766 5.358 ( -2.596 3.424 -0.224) 4.302 5.372 ( -0.626 0.367 -2.008) 2.135 5.391 ( 0.143 3.072 0.799) 3.177 5.480 ( -2.290 -0.906 -2.520) 3.524 5.514 ( -2.607 -1.384 -0.094) 2.953 5.551 ( 0.175 3.242 -3.979) 5.135 5.625 ( -0.520 -1.159 2.928) 3.192 5.696 ( 3.777 0.482 0.772) 3.885 5.721 ( 1.886 0.055 0.029) 1.887 5.775 ( -1.551 -1.734 -0.108) 2.329 5.829 ( 1.522 -0.376 -1.673) 2.293 5.859 ( -0.508 1.695 -1.369) 2.237 5.865 ( -0.139 0.171 1.232) 1.251 5.918 ( 2.558 -0.511 0.566) 2.669 5.943 ( -0.132 1.801 0.164) 1.813 5.963 ( 1.989 1.852 -0.590) 2.781 6.017 ( 0.689 -0.805 -4.254) 4.384 6.077 ( -0.004 1.255 0.736) 1.455 6.139 ( 1.113 -0.503 0.580) 1.352 6.146 ( 0.509 -1.133 0.481) 1.332 6.174 ( 1.199 1.254 0.673) 1.861 6.284 ( 2.106 0.454 -4.142) 4.669 6.369 ( 0.292 -2.099 3.054) 3.717 6.620 ( -4.430 2.919 0.294) 5.313 6.681 ( -2.501 3.305 0.287) 4.154 7.005 ( -1.518 0.533 -1.588) 2.260 7.051 ( 0.603 0.149 1.520) 1.642 7.117 ( 2.787 -0.177 -1.440) 3.142 7.212 ( 1.245 1.782 2.161) 3.065 7.283 ( -0.243 0.882 1.245) 1.545 7.348 ( 1.719 -0.032 -1.212) 2.104 7.416 ( 7.647 -2.382 -2.714) 8.457 7.488 ( 4.510 -0.631 3.218) 5.576 ======================= Grid point 109 (51/60) ======================= q-point: ( 0.29 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 13.718 11.429 -8.288) 19.686 0.909 ( 16.710 5.753 -6.366) 18.784 1.221 ( 8.236 5.828 7.584) 12.622 1.424 ( 5.292 -2.149 11.148) 12.526 1.511 ( 15.502 4.713 -3.785) 16.639 1.629 ( -2.236 5.485 1.786) 6.187 1.686 ( -3.552 0.123 -6.664) 7.552 1.799 ( -3.611 0.098 0.468) 3.643 1.838 ( -4.324 0.625 -0.930) 4.467 1.890 ( -1.175 -2.925 -3.772) 4.916 1.969 ( 2.819 0.074 -3.393) 4.412 2.003 ( -2.272 -0.674 -6.640) 7.050 2.076 ( 0.463 -0.273 -1.634) 1.720 2.165 ( -2.938 -0.852 2.888) 4.207 2.216 ( -0.595 -2.214 -0.837) 2.440 2.246 ( -5.906 3.340 -3.892) 7.822 2.328 ( -1.518 -2.257 2.082) 3.426 2.417 ( -0.457 -1.805 -0.058) 1.863 2.481 ( -0.223 -4.930 1.847) 5.270 2.522 ( -3.005 0.198 1.595) 3.408 2.604 ( -0.053 -3.761 6.425) 7.445 2.677 ( 3.680 -4.638 -3.251) 6.755 2.686 ( 1.991 -5.538 -0.631) 5.919 2.725 ( 1.478 0.970 -0.075) 1.769 2.809 ( 2.584 -6.194 0.158) 6.713 2.848 ( 0.680 -3.262 -3.234) 4.643 2.881 ( 1.486 -1.944 0.407) 2.480 2.965 ( 2.786 -4.301 6.604) 8.359 3.002 ( -0.123 -3.280 -2.892) 4.375 3.029 ( 1.378 -4.157 1.770) 4.723 3.065 ( -0.774 -1.897 1.817) 2.738 3.099 ( 1.354 0.138 -3.192) 3.470 3.170 ( 3.550 1.412 0.415) 3.843 3.203 ( 0.015 0.714 -2.142) 2.258 3.216 ( 0.927 -4.086 0.038) 4.190 3.243 ( -3.514 -1.493 0.757) 3.892 3.327 ( 0.988 2.326 0.698) 2.621 3.360 ( 0.265 -2.455 0.080) 2.471 3.423 ( -1.022 -0.392 -0.082) 1.098 3.459 ( 1.502 -4.933 3.074) 6.004 3.520 ( -0.326 2.704 -0.294) 2.739 3.556 ( -0.314 0.598 -0.403) 0.787 3.586 ( -0.253 1.171 1.171) 1.675 3.618 ( 0.774 -0.958 1.047) 1.617 3.660 ( 0.051 -1.239 0.943) 1.558 3.681 ( -0.154 -1.855 1.522) 2.404 3.745 ( 0.655 -0.271 1.624) 1.772 3.760 ( 0.612 1.279 1.364) 1.967 3.795 ( 2.022 2.107 -0.157) 2.924 3.821 ( 0.389 2.344 -2.255) 3.275 3.854 ( -0.156 3.431 -1.834) 3.894 3.911 ( 1.292 2.111 -0.872) 2.624 3.948 ( 0.485 0.199 -1.044) 1.168 4.076 ( -4.492 4.293 3.053) 6.923 4.098 ( -2.863 0.567 0.239) 2.928 4.141 ( -0.497 -1.117 -0.879) 1.506 4.240 ( -1.331 4.376 -1.011) 4.684 4.334 ( 0.296 -1.934 1.341) 2.372 4.405 ( -1.247 0.102 -2.668) 2.947 4.456 ( 0.896 -1.702 1.867) 2.681 4.518 ( 0.737 2.331 -1.462) 2.849 4.582 ( 0.462 0.813 0.156) 0.948 4.606 ( 1.737 -3.809 -1.403) 4.415 4.616 ( -0.052 1.715 1.931) 2.583 4.633 ( -2.868 -2.340 -2.043) 4.228 4.734 ( -4.055 2.588 2.921) 5.628 4.831 ( -0.880 -0.051 -0.206) 0.906 4.838 ( 1.821 1.515 -2.525) 3.462 4.866 ( -2.332 -2.263 0.131) 3.252 4.957 ( 0.050 -3.623 2.466) 4.383 5.008 ( 0.343 -1.393 -0.043) 1.435 5.062 ( -2.327 -1.116 1.724) 3.103 5.121 ( -3.911 3.525 5.793) 7.828 5.143 ( -5.051 -1.014 -0.524) 5.179 5.205 ( -1.964 1.456 0.843) 2.586 5.300 ( -2.076 3.352 -1.393) 4.182 5.323 ( -1.243 1.022 -5.738) 5.959 5.374 ( -4.076 -0.163 -1.768) 4.446 5.457 ( 1.286 0.134 1.807) 2.222 5.465 ( -0.080 -2.740 -1.087) 2.949 5.533 ( 0.112 2.962 0.815) 3.074 5.626 ( -3.419 -0.016 4.419) 5.587 5.726 ( -0.275 -0.730 0.221) 0.811 5.744 ( 1.491 0.009 -1.043) 1.820 5.798 ( 3.278 1.350 -0.435) 3.571 5.820 ( 0.143 0.382 -1.306) 1.368 5.842 ( -0.568 -1.271 -0.805) 1.608 5.878 ( 1.313 0.892 -1.211) 1.997 5.908 ( 0.078 -0.343 -0.938) 1.002 5.989 ( 4.284 0.081 -0.835) 4.366 6.006 ( 2.190 2.922 0.519) 3.689 6.032 ( 1.118 0.886 -0.765) 1.619 6.071 ( -0.947 1.419 2.032) 2.653 6.147 ( -0.597 -0.275 0.493) 0.821 6.161 ( 0.987 -0.128 -1.118) 1.497 6.185 ( 0.958 1.528 -1.453) 2.316 6.305 ( 3.336 -1.282 -1.545) 3.894 6.390 ( -0.434 -3.413 0.992) 3.581 6.563 ( -2.953 1.443 1.158) 3.484 6.631 ( -3.929 2.726 1.471) 5.003 6.986 ( 2.065 1.893 -2.036) 3.463 7.078 ( -0.357 -0.027 2.193) 2.222 7.161 ( 2.254 0.040 0.544) 2.319 7.228 ( 0.113 2.932 -0.157) 2.938 7.314 ( 1.578 -0.725 1.034) 2.021 7.373 ( 2.445 -0.707 -1.974) 3.221 7.519 ( 6.050 -4.294 -1.360) 7.542 7.583 ( 3.152 -1.578 1.394) 3.790 ======================= Grid point 110 (52/60) ======================= q-point: ( 0.43 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 15.608 6.161 -0.139) 16.781 1.176 ( 11.846 2.159 -0.915) 12.076 1.329 ( -3.916 0.955 -1.559) 4.321 1.453 ( -1.237 1.670 2.838) 3.517 1.513 ( -3.541 2.480 -1.693) 4.643 1.619 ( -6.847 2.650 1.947) 7.596 1.733 ( 2.571 -0.727 4.441) 5.183 1.757 ( 2.430 2.881 -1.828) 4.189 1.816 ( -0.592 -1.694 -2.139) 2.792 1.850 ( -1.790 2.011 -1.311) 2.995 1.896 ( 4.302 3.273 -2.496) 5.954 1.987 ( 0.405 -2.062 -1.317) 2.480 2.063 ( -0.016 1.755 -1.097) 2.070 2.104 ( -3.865 3.125 -3.760) 6.232 2.184 ( 0.685 -3.069 3.077) 4.400 2.241 ( -0.832 -0.571 -2.142) 2.368 2.278 ( 2.823 4.090 -0.549) 5.000 2.375 ( -3.355 0.282 -2.419) 4.145 2.539 ( 0.025 -4.066 6.320) 7.515 2.561 ( 4.049 -4.926 0.556) 6.401 2.652 ( 1.698 -6.211 0.501) 6.459 2.684 ( -0.049 -5.340 -1.171) 5.467 2.712 ( 0.670 -3.652 1.885) 4.164 2.750 ( -0.472 -2.524 0.072) 2.569 2.829 ( -0.806 -5.581 2.926) 6.353 2.847 ( 2.029 -4.578 -4.098) 6.470 2.905 ( 3.103 -0.592 -0.829) 3.266 2.991 ( 0.542 -1.862 -2.193) 2.927 3.000 ( -2.337 -4.007 -1.145) 4.777 3.015 ( -4.405 -0.948 -0.321) 4.517 3.067 ( 1.068 -3.472 -1.032) 3.776 3.079 ( -0.532 -4.263 1.854) 4.679 3.165 ( 0.218 1.021 -2.643) 2.842 3.173 ( -3.396 -0.441 1.187) 3.625 3.225 ( 3.445 -0.047 -0.007) 3.445 3.270 ( -0.573 -2.557 1.418) 2.979 3.306 ( -0.392 -0.102 -0.852) 0.943 3.326 ( -1.423 -0.465 -1.533) 2.142 3.451 ( 0.762 2.019 1.772) 2.792 3.488 ( -2.428 1.705 0.033) 2.967 3.557 ( 3.229 0.476 2.164) 3.916 3.565 ( 2.975 -0.761 2.493) 3.955 3.614 ( -0.673 -0.245 0.929) 1.173 3.624 ( -0.640 -0.991 -0.463) 1.267 3.651 ( 0.320 -2.168 0.698) 2.300 3.686 ( -1.762 -2.455 -0.066) 3.023 3.755 ( 0.846 -0.119 0.006) 0.854 3.777 ( -0.981 1.888 -1.188) 2.437 3.819 ( 2.376 0.009 2.074) 3.154 3.837 ( 2.937 1.131 -1.035) 3.313 3.877 ( 1.348 1.635 0.120) 2.122 3.897 ( -1.065 0.043 -1.252) 1.644 3.987 ( 1.797 1.994 2.926) 3.971 4.038 ( -2.152 3.752 2.339) 4.917 4.055 ( -2.205 3.404 -0.526) 4.090 4.102 ( -2.240 3.405 -2.723) 4.902 4.244 ( 2.562 1.392 -0.011) 2.915 4.316 ( -3.126 0.280 -3.744) 4.886 4.375 ( 0.673 -0.803 1.872) 2.145 4.420 ( -2.290 0.054 -1.782) 2.902 4.507 ( 2.290 -0.387 -0.841) 2.470 4.558 ( -3.590 -1.420 0.294) 3.872 4.618 ( 1.423 0.663 2.107) 2.627 4.643 ( 0.935 -0.567 0.005) 1.094 4.702 ( 2.871 -1.120 2.137) 3.750 4.731 ( -0.830 0.815 4.701) 4.843 4.806 ( 0.116 -0.153 -0.243) 0.310 4.836 ( 0.393 0.420 -0.449) 0.730 4.843 ( -0.256 -1.392 -2.596) 2.957 4.923 ( -3.305 0.450 -4.831) 5.870 4.996 ( -0.261 -2.535 0.954) 2.721 5.038 ( -4.239 -0.412 -0.775) 4.329 5.081 ( 0.559 -0.378 5.497) 5.538 5.140 ( -1.885 0.976 3.841) 4.389 5.186 ( -0.596 2.082 -0.412) 2.204 5.223 ( -1.127 1.258 -6.752) 6.960 5.273 ( -0.395 3.429 -0.780) 3.538 5.284 ( -2.372 1.101 -0.642) 2.693 5.465 ( 3.019 -1.749 -1.488) 3.793 5.511 ( -3.101 -1.094 1.357) 3.558 5.547 ( 3.446 0.902 1.576) 3.895 5.615 ( -3.577 0.583 2.022) 4.150 5.728 ( -0.008 -0.393 2.367) 2.400 5.756 ( 0.259 -1.164 -2.254) 2.550 5.809 ( 2.339 -0.777 -0.792) 2.589 5.834 ( 0.392 0.553 0.524) 0.857 5.849 ( -0.439 -0.456 0.798) 1.019 5.865 ( -0.449 -0.900 -1.964) 2.207 5.924 ( 2.920 0.836 0.294) 3.051 5.991 ( -2.524 -0.011 -1.300) 2.840 6.054 ( 0.972 2.836 1.865) 3.530 6.069 ( 4.429 0.865 -0.783) 4.580 6.075 ( -0.299 1.901 -0.153) 1.931 6.128 ( -2.740 0.796 0.561) 2.908 6.167 ( 0.877 0.076 0.187) 0.900 6.182 ( 0.473 0.771 -1.647) 1.879 6.344 ( 1.258 -1.785 1.135) 2.461 6.376 ( -0.603 -2.235 -1.595) 2.811 6.549 ( 0.053 0.789 1.255) 1.483 6.582 ( -2.659 1.515 0.170) 3.065 7.024 ( 3.583 1.236 -0.870) 3.889 7.071 ( -2.581 0.140 1.188) 2.844 7.200 ( 0.792 0.857 1.694) 2.057 7.222 ( 0.295 1.953 -1.665) 2.583 7.351 ( 0.729 -0.823 1.935) 2.225 7.376 ( 0.856 -0.798 -2.714) 2.955 7.590 ( 3.348 -3.076 -0.489) 4.573 7.618 ( -0.070 -2.251 0.207) 2.262 ======================= Grid point 114 (53/60) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -3.162 10.679 -8.609) 14.077 0.926 ( 3.162 10.679 8.609) 14.077 1.162 ( 3.281 13.120 -7.884) 15.654 1.162 ( -3.281 13.120 7.884) 15.655 1.629 ( -2.288 -3.627 -3.097) 5.289 1.629 ( 2.288 -3.627 3.097) 5.289 1.694 ( -0.887 0.949 -6.409) 6.539 1.694 ( 0.887 0.949 6.409) 6.539 1.845 ( -1.497 3.162 -4.367) 5.595 1.845 ( 1.497 3.162 4.367) 5.595 1.979 ( -2.868 -8.204 -1.834) 8.882 1.979 ( 2.868 -8.204 1.834) 8.882 2.163 ( -3.208 -4.148 -3.401) 6.250 2.163 ( 3.208 -4.148 3.401) 6.250 2.277 ( -2.720 1.712 0.245) 3.223 2.277 ( 2.720 1.712 -0.245) 3.223 2.379 ( 2.524 -0.135 -3.097) 3.998 2.379 ( -2.524 -0.135 3.097) 3.998 2.420 ( -2.053 2.606 -2.072) 3.912 2.420 ( 2.053 2.606 2.072) 3.912 2.579 ( -3.587 -2.339 -1.596) 4.570 2.579 ( 3.587 -2.339 1.596) 4.570 2.683 ( -1.217 -5.888 -2.942) 6.694 2.683 ( 1.217 -5.888 2.942) 6.694 2.707 ( -1.496 -2.497 -1.472) 3.262 2.707 ( 1.496 -2.497 1.472) 3.262 2.878 ( -0.495 -2.745 -6.952) 7.491 2.878 ( 0.495 -2.745 6.952) 7.491 2.955 ( -0.924 -3.266 -1.054) 3.554 2.955 ( 0.924 -3.266 1.054) 3.554 3.010 ( 0.752 -1.216 -2.697) 3.053 3.010 ( -0.752 -1.216 2.697) 3.053 3.099 ( -3.813 -0.059 -2.842) 4.756 3.099 ( 3.813 -0.059 2.842) 4.756 3.204 ( -2.764 -2.733 -3.073) 4.956 3.204 ( 2.764 -2.733 3.073) 4.956 3.239 ( -2.865 -2.311 -2.679) 4.553 3.239 ( 2.865 -2.311 2.679) 4.553 3.387 ( 1.320 -0.814 -1.382) 2.077 3.387 ( -1.320 -0.814 1.382) 2.077 3.543 ( -1.085 -2.409 -0.245) 2.653 3.543 ( 1.085 -2.409 0.245) 2.653 3.585 ( 2.866 1.577 -3.357) 4.687 3.585 ( -2.866 1.577 3.357) 4.687 3.653 ( 0.045 1.293 -4.154) 4.351 3.653 ( -0.045 1.293 4.154) 4.351 3.718 ( -1.141 -1.821 -1.836) 2.827 3.718 ( 1.141 -1.821 1.836) 2.827 3.861 ( 0.591 0.933 -1.200) 1.631 3.861 ( -0.591 0.933 1.200) 1.631 3.905 ( 1.649 2.687 -1.490) 3.487 3.905 ( -1.649 2.687 1.490) 3.487 4.090 ( -0.330 3.376 -4.298) 5.476 4.090 ( 0.330 3.376 4.298) 5.476 4.199 ( -0.578 -0.337 -1.960) 2.071 4.199 ( 0.578 -0.337 1.960) 2.071 4.293 ( 1.959 -1.746 -1.204) 2.887 4.293 ( -1.959 -1.746 1.204) 2.887 4.373 ( -2.574 0.330 -1.399) 2.948 4.373 ( 2.574 0.330 1.399) 2.948 4.561 ( -1.854 0.104 -1.258) 2.243 4.561 ( 1.854 0.104 1.258) 2.243 4.681 ( 0.047 0.216 -4.759) 4.764 4.681 ( -0.047 0.216 4.759) 4.764 4.715 ( -1.516 -1.143 -3.859) 4.301 4.715 ( 1.516 -1.143 3.859) 4.301 4.889 ( -3.050 0.789 -2.066) 3.767 4.889 ( 3.050 0.789 2.066) 3.767 4.907 ( 1.527 0.956 -2.225) 2.863 4.907 ( -1.527 0.956 2.225) 2.863 5.047 ( -2.872 0.993 -3.294) 4.482 5.047 ( 2.872 0.993 3.294) 4.482 5.166 ( 1.439 0.689 -2.237) 2.748 5.166 ( -1.439 0.689 2.237) 2.748 5.350 ( -3.571 0.561 -0.524) 3.652 5.350 ( 3.571 0.561 0.524) 3.652 5.437 ( -0.130 0.556 -1.537) 1.640 5.437 ( 0.130 0.556 1.537) 1.640 5.502 ( -3.573 -0.898 0.538) 3.723 5.502 ( 3.573 -0.898 -0.538) 3.723 5.632 ( -0.885 1.207 -3.284) 3.609 5.632 ( 0.885 1.207 3.284) 3.609 5.687 ( -2.030 2.011 -2.138) 3.569 5.687 ( 2.030 2.011 2.138) 3.569 5.758 ( -2.157 -3.032 -0.995) 3.852 5.758 ( 2.157 -3.032 0.995) 3.852 5.852 ( -1.023 0.767 -1.506) 1.975 5.852 ( 1.023 0.767 1.506) 1.975 5.930 ( -1.244 -0.341 -2.414) 2.737 5.930 ( 1.244 -0.341 2.414) 2.737 6.031 ( -0.850 0.122 -1.010) 1.326 6.031 ( 0.850 0.122 1.010) 1.326 6.080 ( 0.207 0.625 -2.259) 2.353 6.080 ( -0.207 0.625 2.259) 2.353 6.161 ( 0.637 0.875 -1.196) 1.613 6.161 ( -0.637 0.875 1.196) 1.613 6.330 ( 0.804 0.801 -3.252) 3.444 6.330 ( -0.804 0.801 3.252) 3.444 6.758 ( -1.769 3.724 -0.420) 4.144 6.758 ( 1.769 3.724 0.420) 4.144 7.033 ( 1.647 0.499 -1.670) 2.399 7.033 ( -1.647 0.499 1.670) 2.399 7.146 ( -2.137 0.513 -2.041) 2.999 7.146 ( 2.137 0.513 2.041) 2.999 7.349 ( 1.521 1.294 -1.478) 2.485 7.349 ( -1.521 1.294 1.478) 2.485 7.395 ( -0.837 1.042 -4.263) 4.468 7.395 ( 0.837 1.042 4.263) 4.468 ======================= Grid point 116 (54/60) ======================= q-point: ( 0.14 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 7.228 14.602 -4.665) 16.948 1.117 ( 7.861 12.640 -2.542) 15.101 1.172 ( 5.033 7.670 6.103) 11.019 1.267 ( 4.565 11.396 4.597) 13.109 1.529 ( 1.256 6.491 -6.992) 9.622 1.669 ( 4.566 -2.427 -3.303) 6.136 1.691 ( 1.948 -2.929 1.613) 3.870 1.755 ( 1.687 -3.201 2.958) 4.673 1.807 ( 1.041 -2.975 -5.869) 6.662 1.909 ( -0.366 -8.250 -2.590) 8.655 1.951 ( -1.875 -0.147 5.319) 5.641 2.021 ( 0.553 -1.092 -2.870) 3.120 2.050 ( -3.134 -1.759 -3.775) 5.212 2.147 ( 0.761 -4.771 0.677) 4.878 2.273 ( -5.306 1.209 -0.163) 5.444 2.282 ( -2.896 4.007 1.911) 5.300 2.338 ( 0.088 -1.528 4.805) 5.042 2.372 ( 0.916 -1.655 -1.370) 2.336 2.454 ( -0.326 -1.077 4.158) 4.308 2.489 ( 0.022 0.642 -0.741) 0.980 2.526 ( 2.166 -3.806 -2.786) 5.190 2.616 ( -1.042 -3.767 -4.281) 5.797 2.634 ( -0.236 -0.955 -0.626) 1.166 2.694 ( 0.112 -3.257 0.436) 3.288 2.723 ( 0.272 -4.102 0.890) 4.207 2.767 ( 1.038 -0.745 3.863) 4.069 2.799 ( 0.350 -3.466 -2.833) 4.490 2.874 ( -0.620 -1.062 -1.056) 1.621 2.944 ( -1.136 -2.770 -0.950) 3.141 2.970 ( 0.586 -1.323 -0.781) 1.644 3.011 ( -1.134 -2.603 3.229) 4.300 3.043 ( 1.286 0.282 0.546) 1.425 3.073 ( 0.291 -7.541 -0.800) 7.589 3.146 ( 0.361 -2.735 -1.065) 2.957 3.147 ( 2.062 -1.660 0.177) 2.653 3.192 ( 2.155 -1.257 1.607) 2.968 3.287 ( 0.734 -1.991 2.822) 3.531 3.328 ( 3.838 0.246 2.864) 4.795 3.382 ( -1.606 -0.969 1.682) 2.519 3.426 ( 1.499 -0.089 -0.415) 1.558 3.521 ( 0.377 -1.172 0.489) 1.325 3.552 ( 0.815 -1.892 -0.429) 2.104 3.589 ( -0.580 -0.003 1.346) 1.466 3.604 ( 1.643 0.476 -0.622) 1.820 3.626 ( -0.557 0.918 -2.145) 2.399 3.687 ( 0.516 -1.688 0.503) 1.835 3.702 ( -0.079 0.945 2.209) 2.404 3.755 ( 1.509 -0.365 0.890) 1.789 3.837 ( -1.785 1.762 -0.119) 2.511 3.864 ( 0.216 2.175 -1.089) 2.442 3.897 ( -0.143 -0.212 0.290) 0.387 3.927 ( 2.229 1.477 -1.834) 3.242 4.042 ( -0.168 4.956 -3.660) 6.163 4.134 ( 0.217 3.013 2.594) 3.982 4.151 ( -1.680 0.246 -1.743) 2.433 4.204 ( -2.384 1.398 1.155) 2.995 4.276 ( -1.273 -2.732 1.901) 3.564 4.319 ( 1.096 -1.178 1.818) 2.428 4.341 ( -0.361 1.561 0.161) 1.610 4.424 ( 1.805 -0.203 -0.663) 1.934 4.529 ( -0.252 1.570 -0.764) 1.764 4.602 ( 0.173 -4.633 -0.446) 4.657 4.618 ( 0.180 1.143 -3.319) 3.514 4.654 ( -1.383 0.740 -2.238) 2.733 4.691 ( -2.435 0.389 -0.721) 2.569 4.763 ( -0.106 -0.749 1.849) 1.998 4.831 ( -0.651 -1.236 -0.652) 1.542 4.867 ( -2.595 -1.012 0.808) 2.900 4.917 ( -1.286 2.500 -0.062) 2.812 4.926 ( -0.900 1.976 -2.139) 3.048 4.982 ( 0.146 1.372 0.925) 1.661 5.081 ( -1.709 0.212 1.223) 2.112 5.136 ( -2.733 -0.547 1.162) 3.020 5.176 ( -2.794 -0.285 4.027) 4.910 5.278 ( -3.488 2.702 0.707) 4.469 5.378 ( -1.327 -0.424 0.066) 1.395 5.394 ( -1.804 -0.213 -1.638) 2.446 5.432 ( -1.505 -0.257 -0.776) 1.713 5.458 ( -1.319 -0.142 0.104) 1.331 5.492 ( -2.937 -0.468 -2.345) 3.788 5.610 ( 0.224 1.659 0.053) 1.675 5.623 ( -1.376 1.688 -1.165) 2.470 5.696 ( -0.219 -1.075 -0.533) 1.219 5.721 ( 5.164 0.816 1.176) 5.359 5.753 ( 0.751 -0.157 0.493) 0.912 5.807 ( 0.893 -2.858 -0.062) 2.995 5.834 ( -0.068 0.462 -0.824) 0.947 5.898 ( 1.448 -0.593 0.581) 1.669 5.938 ( 3.149 2.084 -0.583) 3.821 5.976 ( -1.155 1.459 -1.700) 2.521 6.006 ( 2.570 0.849 0.200) 2.714 6.016 ( 1.334 1.832 0.189) 2.275 6.084 ( 0.791 -0.567 0.448) 1.071 6.112 ( 1.711 -1.282 -1.160) 2.432 6.140 ( -2.138 0.565 2.799) 3.567 6.201 ( 2.099 1.215 0.195) 2.433 6.300 ( 0.427 1.072 -3.155) 3.359 6.338 ( -1.003 -1.019 0.583) 1.544 6.684 ( -5.497 3.589 0.319) 6.572 6.744 ( -4.140 2.718 1.507) 5.176 7.021 ( -0.667 1.065 0.154) 1.267 7.054 ( 1.718 0.082 -0.657) 1.841 7.139 ( 2.947 2.295 -0.907) 3.844 7.228 ( 3.896 -0.035 1.590) 4.208 7.331 ( -1.641 3.600 0.638) 4.007 7.349 ( 0.672 0.166 -0.741) 1.014 7.391 ( 4.444 -0.664 -3.369) 5.616 7.474 ( 2.827 -0.775 3.209) 4.347 ======================= Grid point 117 (55/60) ======================= q-point: ( 0.29 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 13.109 12.865 -1.941) 18.469 1.126 ( 6.509 14.940 -8.890) 18.563 1.369 ( 4.625 8.631 3.348) 10.348 1.417 ( 4.824 2.630 7.727) 9.481 1.568 ( 4.758 1.710 -0.630) 5.095 1.677 ( -2.662 -1.581 1.486) 3.435 1.730 ( 2.595 0.041 -1.891) 3.211 1.786 ( 1.736 -5.108 -0.070) 5.395 1.824 ( 1.341 3.900 1.040) 4.253 1.855 ( -3.306 -2.043 -1.125) 4.046 1.886 ( -0.477 -2.441 -3.991) 4.703 2.007 ( 2.302 -2.835 -0.616) 3.704 2.063 ( 2.265 -0.614 -1.962) 3.059 2.123 ( -4.743 -2.801 -0.407) 5.523 2.223 ( 3.842 -0.720 -2.125) 4.449 2.299 ( 2.067 1.387 1.124) 2.731 2.327 ( -2.958 2.940 -1.301) 4.369 2.365 ( -2.092 -3.425 -1.221) 4.195 2.397 ( -3.576 -2.255 -2.848) 5.097 2.497 ( 0.663 -4.360 1.362) 4.615 2.519 ( -5.751 -1.549 -0.275) 5.962 2.576 ( 2.265 -3.822 2.251) 4.980 2.609 ( 0.991 -3.247 -3.217) 4.676 2.693 ( -0.117 -4.374 -2.170) 4.884 2.722 ( -0.643 -4.399 0.285) 4.455 2.772 ( 1.340 -2.700 -1.559) 3.394 2.827 ( 3.060 0.479 -0.896) 3.225 2.903 ( -1.649 -6.542 0.419) 6.760 2.932 ( 0.478 -0.234 4.963) 4.991 2.973 ( 1.326 -2.637 -2.048) 3.593 3.009 ( -1.003 -3.823 0.338) 3.967 3.063 ( 2.195 -3.550 0.431) 4.196 3.120 ( 1.433 -1.890 3.640) 4.345 3.150 ( 1.687 -4.590 1.119) 5.017 3.215 ( -1.062 -1.173 0.105) 1.586 3.236 ( 1.398 0.230 1.720) 2.228 3.337 ( 2.048 -0.025 1.656) 2.633 3.374 ( 0.003 -2.234 0.074) 2.235 3.381 ( -0.392 2.564 2.099) 3.336 3.423 ( 0.578 0.365 -0.406) 0.795 3.548 ( 0.417 -0.857 -1.754) 1.996 3.570 ( 0.353 1.655 -1.602) 2.330 3.585 ( -0.235 -1.399 1.502) 2.065 3.598 ( 2.307 -0.506 1.184) 2.642 3.636 ( 0.877 -0.975 0.858) 1.567 3.689 ( -2.868 1.742 0.866) 3.465 3.723 ( 0.534 -1.598 2.571) 3.074 3.785 ( 1.420 0.723 -0.608) 1.705 3.820 ( 0.197 0.972 0.307) 1.038 3.860 ( 1.738 0.849 -3.336) 3.856 3.887 ( -0.439 -0.037 -0.426) 0.613 3.934 ( 1.344 0.799 -2.769) 3.180 4.011 ( 0.179 5.345 -0.793) 5.406 4.124 ( -2.637 2.756 1.718) 4.183 4.144 ( 0.154 1.561 -0.707) 1.721 4.179 ( -2.199 5.114 3.820) 6.751 4.275 ( -0.799 -1.238 0.514) 1.561 4.327 ( -1.403 0.937 1.309) 2.136 4.394 ( 0.469 -0.119 -2.342) 2.391 4.406 ( 2.808 -2.906 0.214) 4.046 4.533 ( -1.861 -2.216 -0.682) 2.973 4.562 ( -0.542 -0.614 -1.531) 1.737 4.574 ( -1.440 -0.457 -2.420) 2.853 4.616 ( 0.551 0.264 -0.702) 0.931 4.672 ( 0.604 3.173 1.393) 3.517 4.781 ( -0.327 0.693 0.553) 0.945 4.815 ( -1.761 -0.461 0.816) 1.995 4.840 ( -2.549 -1.019 1.561) 3.158 4.870 ( -2.231 -1.600 1.718) 3.239 4.903 ( 0.386 3.233 -2.718) 4.242 4.994 ( -0.120 -0.171 0.324) 0.386 5.057 ( -2.005 -0.240 1.467) 2.496 5.095 ( -3.359 -1.899 1.453) 4.123 5.154 ( -3.916 -0.980 2.560) 4.780 5.248 ( -2.317 2.898 1.764) 4.108 5.318 ( -2.261 0.553 -3.308) 4.045 5.344 ( -2.285 -1.019 -2.177) 3.316 5.371 ( -3.835 -1.963 0.447) 4.332 5.438 ( 0.167 0.620 -1.479) 1.612 5.469 ( 1.067 1.103 0.396) 1.585 5.583 ( -1.402 2.280 -0.623) 2.748 5.624 ( -1.429 -0.193 3.078) 3.400 5.710 ( 1.916 -0.779 0.367) 2.101 5.752 ( -0.425 0.680 -0.448) 0.918 5.788 ( -1.297 -1.428 -0.911) 2.133 5.809 ( 2.939 -0.584 -1.609) 3.401 5.834 ( 1.062 -0.085 -0.057) 1.066 5.888 ( -0.417 -0.206 -0.881) 0.996 5.937 ( -0.500 3.099 -1.634) 3.539 5.998 ( 3.508 0.524 -1.332) 3.789 6.040 ( 2.241 0.138 -0.760) 2.371 6.064 ( -1.781 0.646 2.212) 2.912 6.096 ( 1.809 2.360 1.541) 3.349 6.148 ( -0.754 0.514 3.086) 3.219 6.153 ( 4.609 -0.621 -2.500) 5.280 6.220 ( 1.184 1.980 -2.153) 3.156 6.287 ( 1.603 -0.379 -2.300) 2.829 6.321 ( -1.578 -3.425 1.506) 4.061 6.604 ( -4.148 2.691 0.986) 5.042 6.677 ( -5.211 1.650 1.773) 5.747 7.021 ( 0.863 1.533 -0.272) 1.781 7.070 ( 0.767 -0.560 -0.525) 1.085 7.196 ( 3.266 3.378 0.419) 4.717 7.290 ( 1.082 1.707 1.511) 2.523 7.319 ( -0.116 2.849 0.007) 2.851 7.360 ( 1.849 -0.512 -1.928) 2.720 7.452 ( 5.334 -2.940 -1.509) 6.275 7.542 ( 1.672 -2.640 1.650) 3.534 ======================= Grid point 118 (56/60) ======================= q-point: ( 0.43 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 9.277 10.482 -3.607) 14.455 1.262 ( 6.547 6.446 -0.917) 9.233 1.376 ( 0.206 4.421 0.564) 4.461 1.509 ( -6.368 3.536 1.804) 7.504 1.579 ( 4.917 3.820 -0.962) 6.300 1.681 ( -5.850 3.381 0.900) 6.816 1.739 ( -1.094 0.806 4.714) 4.906 1.769 ( 0.213 -2.415 -1.146) 2.682 1.836 ( 2.316 4.176 -0.783) 4.839 1.863 ( -0.171 0.088 2.044) 2.053 1.917 ( 6.263 -1.016 0.366) 6.356 2.021 ( -0.249 3.611 -2.904) 4.640 2.060 ( 2.216 -1.364 0.874) 2.745 2.123 ( -0.422 -1.499 -2.651) 3.074 2.165 ( -4.860 1.584 -0.584) 5.145 2.211 ( -3.382 -2.001 -4.339) 5.854 2.298 ( 3.824 -5.314 -3.325) 7.343 2.343 ( -3.340 -1.888 1.324) 4.059 2.443 ( 0.455 -7.980 2.881) 8.497 2.478 ( 4.933 -3.554 2.263) 6.487 2.517 ( -1.558 -3.264 0.176) 3.621 2.559 ( -2.026 -5.351 -4.257) 7.131 2.641 ( 2.539 -4.556 1.658) 5.472 2.673 ( 0.301 -5.384 -0.978) 5.481 2.735 ( -0.729 -4.087 2.835) 5.028 2.766 ( 1.452 -2.835 -5.232) 6.125 2.863 ( 1.623 -1.816 1.034) 2.646 2.896 ( -0.920 -4.452 0.708) 4.601 2.944 ( 2.680 -0.804 1.721) 3.285 3.004 ( 0.369 -0.851 1.698) 1.935 3.012 ( -0.527 -3.226 -0.911) 3.393 3.061 ( -0.897 -1.750 -1.257) 2.334 3.163 ( -1.453 -2.390 1.775) 3.313 3.178 ( -0.596 0.150 0.239) 0.659 3.208 ( 1.444 -1.205 -0.029) 1.881 3.243 ( -4.884 2.114 -3.192) 6.206 3.287 ( 2.174 -0.303 -0.053) 2.195 3.329 ( -1.947 0.779 0.016) 2.097 3.446 ( 1.860 -3.722 4.245) 5.944 3.503 ( 1.380 -3.498 -2.438) 4.482 3.525 ( 1.523 2.250 1.419) 3.065 3.571 ( -0.325 1.628 -0.370) 1.701 3.605 ( 0.400 0.901 1.184) 1.541 3.622 ( -0.794 -0.455 1.043) 1.387 3.642 ( 1.024 -1.042 -1.102) 1.830 3.670 ( -1.770 1.118 1.714) 2.706 3.754 ( 1.048 -0.504 0.937) 1.494 3.788 ( -0.078 -1.256 -1.728) 2.137 3.838 ( -0.482 0.892 1.163) 1.543 3.841 ( 1.331 1.562 -1.460) 2.518 3.895 ( 2.126 0.520 -1.572) 2.695 3.919 ( -0.527 0.903 -1.129) 1.538 4.044 ( 2.109 3.923 2.706) 5.211 4.111 ( -0.713 3.343 -0.104) 3.419 4.129 ( -1.989 4.017 1.672) 4.784 4.168 ( -2.027 3.348 -0.081) 3.914 4.265 ( 1.148 0.581 -0.611) 1.425 4.316 ( -2.316 0.033 -3.383) 4.100 4.353 ( 1.332 -1.435 2.357) 3.064 4.415 ( -2.817 -1.058 -1.787) 3.500 4.505 ( 1.651 -0.468 0.433) 1.770 4.540 ( -0.671 -0.411 -1.372) 1.582 4.605 ( 1.748 -0.591 2.322) 2.966 4.639 ( 0.487 0.478 -0.640) 0.936 4.710 ( 2.826 0.600 1.346) 3.187 4.752 ( -2.148 0.746 2.349) 3.269 4.795 ( -0.433 -1.953 -0.788) 2.150 4.825 ( -2.522 2.089 -0.377) 3.297 4.859 ( -1.427 -0.988 2.553) 3.087 4.895 ( 1.896 -0.103 -2.997) 3.548 4.984 ( 0.065 0.458 -0.870) 0.985 5.031 ( -3.895 -0.359 0.752) 3.984 5.071 ( 0.000 -0.987 2.561) 2.745 5.114 ( -1.887 -2.619 -0.287) 3.241 5.231 ( -1.758 1.902 1.965) 3.251 5.248 ( -0.901 1.629 -3.213) 3.713 5.305 ( 0.004 0.611 -0.590) 0.850 5.323 ( -1.823 0.393 -0.418) 1.911 5.450 ( 2.471 0.149 -0.958) 2.655 5.482 ( -1.283 -1.434 0.566) 2.006 5.571 ( 0.719 1.595 1.011) 2.020 5.615 ( -2.600 -0.572 0.537) 2.716 5.729 ( -0.184 0.209 0.656) 0.713 5.746 ( -0.684 0.566 -1.112) 1.423 5.781 ( 3.508 -1.732 0.333) 3.926 5.832 ( 1.219 -0.302 -0.505) 1.353 5.840 ( -1.132 -0.514 -0.047) 1.244 5.860 ( -1.860 0.003 -0.910) 2.071 5.932 ( 1.341 0.009 0.519) 1.438 5.983 ( -2.403 -0.968 -1.886) 3.204 6.074 ( 2.227 0.451 1.843) 2.925 6.093 ( 2.053 0.524 -0.742) 2.245 6.140 ( 1.313 3.659 0.419) 3.910 6.158 ( -1.536 2.372 1.054) 3.016 6.176 ( 0.791 0.943 -0.015) 1.231 6.201 ( 0.104 1.301 -2.755) 3.048 6.305 ( 0.933 -2.082 0.986) 2.486 6.323 ( 0.243 -3.038 -0.405) 3.074 6.574 ( -0.283 1.611 0.969) 1.901 6.610 ( -3.532 1.132 0.242) 3.717 7.042 ( 1.340 0.586 0.334) 1.501 7.066 ( -0.583 -0.486 -0.587) 0.959 7.250 ( 2.308 4.207 0.687) 4.847 7.288 ( -1.582 4.686 0.090) 4.946 7.339 ( 0.881 -0.345 1.269) 1.583 7.360 ( 0.771 -0.689 -2.341) 2.559 7.524 ( 3.624 -3.797 -0.301) 5.257 7.560 ( -0.864 -3.656 0.405) 3.778 ======================= Grid point 122 (57/60) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -1.792 10.781 -2.336) 11.175 1.147 ( 1.792 10.781 2.336) 11.175 1.318 ( 1.339 -0.295 -0.599) 1.496 1.318 ( -1.339 -0.295 0.599) 1.496 1.569 ( 2.559 2.247 -2.098) 4.000 1.569 ( -2.559 2.247 2.098) 4.000 1.657 ( -0.055 -4.127 -0.891) 4.222 1.657 ( 0.055 -4.127 0.891) 4.222 1.801 ( -1.092 -4.631 -2.506) 5.378 1.801 ( 1.092 -4.631 2.506) 5.378 1.976 ( -3.567 3.076 -2.974) 5.570 1.976 ( 3.567 3.076 2.974) 5.570 2.056 ( -1.873 -4.423 -1.925) 5.174 2.056 ( 1.873 -4.423 1.925) 5.174 2.340 ( 3.586 3.489 -2.733) 5.701 2.340 ( -3.586 3.489 2.733) 5.701 2.398 ( -2.670 0.674 -0.896) 2.896 2.398 ( 2.670 0.674 0.896) 2.896 2.489 ( -0.654 2.337 -2.361) 3.386 2.489 ( 0.654 2.337 2.361) 3.386 2.538 ( -2.665 -2.706 -2.577) 4.590 2.538 ( 2.665 -2.706 2.577) 4.590 2.582 ( -0.603 -2.191 -2.528) 3.399 2.582 ( 0.603 -2.191 2.528) 3.399 2.688 ( -1.631 1.297 -3.512) 4.084 2.688 ( 1.631 1.297 3.512) 4.084 2.822 ( -2.622 -2.764 -1.924) 4.268 2.822 ( 2.622 -2.764 1.924) 4.268 2.899 ( 1.101 -1.822 -2.480) 3.268 2.899 ( -1.101 -1.822 2.480) 3.268 3.006 ( 1.418 0.272 -1.723) 2.247 3.006 ( -1.418 0.272 1.723) 2.247 3.100 ( -1.903 0.534 -2.509) 3.194 3.100 ( 1.902 0.534 2.509) 3.194 3.147 ( -0.174 -2.661 -2.183) 3.446 3.147 ( 0.174 -2.661 2.183) 3.446 3.212 ( -0.514 -0.942 -1.959) 2.234 3.212 ( 0.514 -0.942 1.959) 2.234 3.390 ( -1.044 0.667 -0.395) 1.301 3.390 ( 1.044 0.667 0.395) 1.301 3.492 ( -0.256 -2.129 -0.246) 2.158 3.492 ( 0.256 -2.129 0.246) 2.158 3.602 ( 1.409 0.149 -1.765) 2.263 3.602 ( -1.409 0.149 1.765) 2.263 3.664 ( 0.270 0.044 -2.496) 2.511 3.664 ( -0.270 0.044 2.496) 2.511 3.688 ( -0.669 -0.928 -1.613) 1.978 3.688 ( 0.669 -0.928 1.613) 1.978 3.877 ( 1.494 0.863 -1.287) 2.152 3.877 ( -1.494 0.863 1.287) 2.152 3.923 ( 1.922 -0.308 -1.651) 2.552 3.923 ( -1.922 -0.308 1.651) 2.552 4.157 ( -0.125 2.673 -3.015) 4.031 4.157 ( 0.125 2.673 3.015) 4.031 4.200 ( 0.230 0.120 -0.531) 0.591 4.200 ( -0.230 0.120 0.531) 0.591 4.283 ( -1.411 1.254 -1.888) 2.670 4.283 ( 1.411 1.254 1.888) 2.670 4.348 ( -1.765 -2.880 -1.863) 3.858 4.348 ( 1.765 -2.880 1.863) 3.858 4.558 ( 0.130 -0.002 -0.175) 0.218 4.558 ( -0.130 -0.002 0.175) 0.218 4.675 ( -0.378 -0.100 -1.366) 1.421 4.675 ( 0.378 -0.100 1.366) 1.421 4.707 ( -0.322 -0.481 -1.652) 1.750 4.707 ( 0.322 -0.481 1.652) 1.750 4.887 ( 0.241 -0.323 -0.331) 0.522 4.887 ( -0.241 -0.323 0.331) 0.522 4.946 ( -0.930 2.330 -1.557) 2.953 4.946 ( 0.930 2.330 1.557) 2.953 5.045 ( -2.164 -0.972 -1.761) 2.954 5.045 ( 2.164 -0.972 1.761) 2.954 5.207 ( 0.725 2.488 -1.245) 2.875 5.207 ( -0.725 2.488 1.245) 2.875 5.341 ( -1.002 -1.193 -0.269) 1.581 5.341 ( 1.002 -1.193 0.269) 1.581 5.439 ( 0.644 -0.122 -1.021) 1.214 5.439 ( -0.644 -0.122 1.021) 1.214 5.482 ( 1.852 -0.766 -0.796) 2.157 5.482 ( -1.852 -0.766 0.796) 2.157 5.657 ( -1.531 1.511 -1.142) 2.435 5.657 ( 1.531 1.511 1.142) 2.435 5.701 ( -1.700 -1.730 -0.536) 2.484 5.701 ( 1.700 -1.730 0.536) 2.484 5.737 ( -0.950 1.190 -1.759) 2.326 5.737 ( 0.950 1.190 1.759) 2.326 5.864 ( -0.653 0.295 -0.401) 0.821 5.864 ( 0.653 0.295 0.401) 0.821 5.912 ( -0.442 -0.785 -0.930) 1.294 5.912 ( 0.442 -0.785 0.930) 1.294 6.025 ( -0.753 -0.338 -0.896) 1.218 6.025 ( 0.753 -0.338 0.896) 1.218 6.104 ( -0.600 1.106 -0.431) 1.330 6.104 ( 0.600 1.106 0.431) 1.330 6.173 ( 0.212 0.334 -0.873) 0.959 6.173 ( -0.212 0.334 0.873) 0.959 6.343 ( 0.300 0.436 -1.074) 1.197 6.343 ( -0.300 0.436 1.074) 1.197 6.811 ( -0.706 1.550 -0.374) 1.744 6.811 ( 0.706 1.550 0.374) 1.744 7.044 ( 0.478 0.416 -0.479) 0.795 7.044 ( -0.478 0.416 0.479) 0.795 7.154 ( -0.788 0.229 -0.717) 1.090 7.154 ( 0.788 0.229 0.717) 1.090 7.361 ( 0.456 0.220 -0.492) 0.706 7.361 ( -0.456 0.220 0.492) 0.706 7.419 ( -0.289 0.901 -1.546) 1.813 7.419 ( 0.289 0.901 1.546) 1.813 ======================= Grid point 124 (58/60) ======================= q-point: ( 0.14 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 5.521 13.311 -1.042) 14.448 1.293 ( 10.076 7.381 4.020) 13.121 1.334 ( 2.677 1.986 -0.565) 3.380 1.408 ( 8.799 -0.935 -0.309) 8.854 1.531 ( -1.271 1.623 1.480) 2.538 1.594 ( 1.828 1.687 -4.143) 4.833 1.639 ( 0.106 -6.014 -2.803) 6.636 1.681 ( 3.467 -4.533 -0.931) 5.782 1.808 ( 0.725 -0.714 1.134) 1.524 1.860 ( -3.161 -2.436 -0.977) 4.109 1.892 ( 3.238 2.165 2.824) 4.811 1.962 ( -2.742 -3.152 2.826) 5.044 2.062 ( -2.322 -0.041 -3.319) 4.050 2.074 ( 2.354 -1.659 -4.860) 5.649 2.289 ( -3.153 1.389 0.133) 3.448 2.320 ( -3.294 1.118 1.704) 3.873 2.340 ( 0.603 0.473 0.208) 0.794 2.393 ( -2.337 -2.179 -2.025) 3.783 2.434 ( -3.246 1.419 -2.899) 4.577 2.492 ( -2.271 -1.931 -0.649) 3.051 2.507 ( 0.933 3.108 2.533) 4.117 2.548 ( -0.251 -1.516 -2.019) 2.538 2.609 ( 0.967 -2.101 0.864) 2.469 2.622 ( 2.167 -2.247 1.430) 3.433 2.689 ( 0.376 -0.339 -1.767) 1.838 2.730 ( -0.280 -3.994 0.790) 4.081 2.796 ( 0.044 4.462 1.344) 4.660 2.869 ( 4.165 0.434 -1.833) 4.571 2.912 ( -1.250 -1.613 -0.969) 2.259 2.942 ( 2.641 -3.985 -2.902) 5.593 2.960 ( -1.377 -0.514 -2.036) 2.511 2.978 ( -2.352 -2.047 3.744) 4.873 3.056 ( 0.609 1.416 -0.677) 1.684 3.090 ( -1.636 -1.390 -1.109) 2.416 3.130 ( 1.253 -0.042 2.091) 2.438 3.163 ( 0.354 -2.457 3.500) 4.290 3.278 ( 2.617 0.948 2.924) 4.037 3.310 ( 4.074 -1.866 4.181) 6.129 3.389 ( 0.224 1.244 0.921) 1.564 3.414 ( 0.429 -1.151 0.158) 1.238 3.496 ( 2.089 -0.983 -0.074) 2.310 3.505 ( 1.618 -1.989 0.576) 2.628 3.591 ( -0.557 0.656 -1.655) 1.865 3.606 ( 0.882 -0.690 -2.260) 2.522 3.638 ( -1.507 0.435 1.311) 2.044 3.653 ( -0.305 -1.420 1.018) 1.774 3.722 ( 2.170 1.122 0.905) 2.605 3.743 ( 2.956 -0.944 0.428) 3.132 3.857 ( -1.933 0.870 0.687) 2.228 3.874 ( -1.112 -0.582 -0.398) 1.316 3.908 ( -0.801 1.257 0.346) 1.531 3.934 ( 0.915 -0.882 -1.145) 1.710 4.131 ( 0.687 3.906 -2.392) 4.631 4.170 ( 0.849 0.898 -1.585) 2.010 4.188 ( -0.796 1.115 0.367) 1.419 4.215 ( -1.127 -1.043 -0.246) 1.555 4.256 ( -0.491 2.412 3.050) 3.919 4.318 ( -0.461 -1.786 2.463) 3.078 4.339 ( 1.498 1.745 0.839) 2.448 4.403 ( 1.890 -2.909 1.317) 3.711 4.537 ( -1.314 -1.187 -1.688) 2.447 4.539 ( -1.106 -0.427 -0.903) 1.490 4.631 ( -1.357 0.586 -3.024) 3.365 4.648 ( -1.646 -1.053 -2.240) 2.972 4.705 ( -0.071 1.202 0.594) 1.342 4.737 ( 0.628 -1.854 1.410) 2.412 4.835 ( -1.434 1.240 -2.036) 2.782 4.853 ( -1.834 -0.395 -1.602) 2.466 4.946 ( -0.000 0.650 -0.966) 1.164 4.958 ( -1.370 0.192 0.140) 1.390 5.014 ( -0.571 2.899 1.103) 3.154 5.069 ( -1.192 -1.964 0.554) 2.363 5.169 ( -4.277 2.755 1.207) 5.229 5.189 ( -4.334 1.080 2.396) 5.068 5.312 ( -1.707 0.924 0.706) 2.065 5.341 ( -1.511 -2.595 1.192) 3.231 5.378 ( -4.290 -0.428 -0.533) 4.344 5.399 ( -4.850 -2.465 0.069) 5.441 5.465 ( 0.651 1.153 -2.473) 2.805 5.487 ( 1.035 -0.727 -2.358) 2.676 5.632 ( -1.498 1.168 0.932) 2.116 5.649 ( -2.334 -0.296 0.187) 2.360 5.706 ( 0.107 2.556 -1.298) 2.869 5.732 ( 4.162 0.815 0.459) 4.266 5.753 ( 2.602 -0.885 0.876) 2.885 5.756 ( 0.160 -2.322 -0.591) 2.402 5.854 ( -0.010 1.578 -0.759) 1.751 5.882 ( 0.524 -1.148 -0.330) 1.304 5.956 ( 4.949 0.665 0.024) 4.994 5.978 ( 4.087 -1.416 -0.297) 4.335 6.019 ( 1.771 1.614 1.442) 2.796 6.053 ( 1.123 -1.251 1.278) 2.112 6.069 ( -1.776 1.800 -1.669) 3.030 6.100 ( -0.912 -0.824 -0.263) 1.257 6.171 ( -0.293 2.315 1.376) 2.709 6.206 ( 1.681 -0.883 0.590) 1.989 6.318 ( -0.586 0.724 -2.314) 2.495 6.327 ( -1.577 -0.327 -0.991) 1.891 6.746 ( -5.952 2.525 0.814) 6.517 6.771 ( -5.525 0.003 1.467) 5.716 7.042 ( -0.023 0.922 0.131) 0.932 7.053 ( 0.709 -0.251 -0.183) 0.774 7.187 ( 4.604 2.297 -0.757) 5.201 7.218 ( 4.906 -1.002 0.190) 5.011 7.355 ( 0.673 0.633 -1.272) 1.572 7.369 ( 1.714 -0.580 -1.616) 2.426 7.408 ( -0.744 2.949 1.129) 3.244 7.453 ( 0.607 -1.612 2.602) 3.120 ======================= Grid point 125 (59/60) ======================= q-point: ( 0.29 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 8.405 11.482 -0.876) 14.257 1.363 ( 2.156 7.258 -1.835) 7.791 1.508 ( 2.551 2.761 -2.307) 4.411 1.517 ( 7.818 0.769 -1.376) 7.976 1.565 ( 3.012 2.892 1.185) 4.340 1.614 ( 2.119 -1.617 1.437) 3.029 1.654 ( 8.718 -1.876 0.454) 8.929 1.735 ( 1.559 -4.055 1.420) 4.570 1.787 ( -3.255 -0.937 -0.296) 3.400 1.853 ( 3.031 -4.148 4.541) 6.857 1.932 ( -0.700 0.475 -1.020) 1.325 1.961 ( -1.095 4.241 -3.767) 5.777 2.013 ( 2.269 -3.030 2.341) 4.451 2.070 ( 2.639 -3.647 -3.331) 5.600 2.206 ( -3.907 0.861 -1.275) 4.199 2.268 ( -6.477 -4.365 -3.046) 8.383 2.321 ( -2.008 0.117 -2.575) 3.268 2.359 ( 0.651 -0.174 0.723) 0.988 2.418 ( -0.425 -0.151 1.698) 1.757 2.430 ( -3.092 2.103 -0.960) 3.861 2.503 ( -0.900 -1.517 1.287) 2.184 2.526 ( -1.117 -3.999 -0.843) 4.237 2.600 ( -2.262 3.078 -4.833) 6.160 2.628 ( -0.434 0.622 -1.454) 1.640 2.685 ( 2.549 -1.023 1.287) 3.033 2.757 ( -2.549 -6.749 1.569) 7.383 2.776 ( 2.246 2.614 -4.395) 5.585 2.855 ( -0.015 -1.166 -0.418) 1.239 2.898 ( 2.901 -2.043 -3.601) 5.055 2.922 ( 0.241 -1.352 -2.437) 2.798 2.982 ( -1.108 0.751 4.893) 5.073 3.012 ( 1.054 -2.132 2.600) 3.524 3.072 ( 0.173 -0.867 2.371) 2.530 3.097 ( 1.591 -2.036 4.412) 5.112 3.201 ( 1.776 -0.067 1.050) 2.064 3.217 ( 1.923 -1.549 2.765) 3.707 3.328 ( -0.215 -0.438 2.184) 2.238 3.337 ( -2.374 -1.250 0.421) 2.716 3.433 ( 1.958 1.573 -0.607) 2.584 3.439 ( 2.255 0.712 -1.386) 2.741 3.532 ( 1.956 0.264 -1.447) 2.447 3.560 ( 3.932 -1.729 -1.157) 4.448 3.589 ( 2.163 0.060 1.132) 2.442 3.589 ( 0.467 0.170 0.540) 0.733 3.639 ( -0.730 1.041 1.628) 2.065 3.669 ( -0.781 -2.010 2.203) 3.083 3.741 ( -0.019 2.142 -1.036) 2.379 3.778 ( 1.691 -1.418 -2.455) 3.301 3.839 ( -0.724 0.903 1.392) 1.810 3.856 ( 0.865 -0.824 -0.452) 1.277 3.898 ( -0.368 1.572 -0.575) 1.714 3.929 ( 0.486 -1.264 -1.873) 2.311 4.114 ( -0.094 5.050 -0.803) 5.115 4.175 ( 0.687 0.916 -1.104) 1.590 4.179 ( -1.625 1.592 2.265) 3.210 4.225 ( 1.147 -2.042 2.940) 3.759 4.263 ( -1.951 2.308 0.855) 3.141 4.316 ( -1.939 -2.001 0.845) 2.911 4.387 ( 2.049 1.655 0.747) 2.738 4.410 ( -0.734 0.528 -2.115) 2.300 4.489 ( -2.692 -1.615 -1.479) 3.470 4.505 ( 0.109 -2.989 -0.621) 3.054 4.603 ( 0.981 1.432 -1.009) 2.008 4.619 ( 0.703 -0.275 -0.821) 1.115 4.713 ( -0.342 1.449 1.544) 2.145 4.754 ( -0.699 -2.728 1.874) 3.383 4.805 ( -0.541 0.429 -0.027) 0.691 4.818 ( -1.862 -0.355 -0.580) 1.982 4.912 ( -2.440 2.932 1.060) 3.959 4.948 ( -0.005 0.094 -1.590) 1.593 5.006 ( -0.885 1.622 0.712) 1.981 5.037 ( -2.047 -1.137 0.288) 2.359 5.098 ( -4.680 1.007 0.515) 4.814 5.122 ( -5.281 -1.639 1.629) 5.764 5.290 ( -3.247 1.165 0.952) 3.579 5.306 ( -2.691 -1.338 -0.326) 3.023 5.319 ( -1.518 -0.860 0.797) 1.918 5.334 ( -3.058 -1.298 1.000) 3.469 5.449 ( 0.981 1.127 -2.588) 2.988 5.478 ( 1.160 -0.990 -2.967) 3.336 5.617 ( -1.842 0.987 0.799) 2.237 5.623 ( -1.197 0.120 1.203) 1.701 5.707 ( 0.957 0.794 0.177) 1.256 5.735 ( -0.912 -1.765 -0.789) 2.137 5.794 ( 1.572 0.895 0.352) 1.842 5.807 ( 2.378 -0.172 0.268) 2.399 5.840 ( -0.586 1.453 -0.860) 1.788 5.875 ( -0.655 -1.379 -0.534) 1.617 5.991 ( -2.046 2.139 -1.929) 3.532 6.006 ( 0.871 0.398 -2.495) 2.673 6.034 ( 3.555 -0.515 -0.872) 3.697 6.047 ( -0.662 -1.493 -0.207) 1.646 6.131 ( 4.443 0.683 1.533) 4.749 6.139 ( 5.440 -0.485 0.027) 5.462 6.183 ( -0.621 2.860 2.478) 3.835 6.235 ( 0.729 -1.736 1.052) 2.157 6.279 ( -1.969 0.042 -1.376) 2.402 6.286 ( -0.384 -0.068 -1.933) 1.972 6.656 ( -5.263 2.410 1.283) 5.929 6.686 ( -5.656 -0.636 1.561) 5.902 7.045 ( 0.186 0.987 0.147) 1.015 7.060 ( 0.194 -0.615 -0.099) 0.652 7.265 ( 4.821 3.138 -0.529) 5.776 7.296 ( 3.689 -0.313 -0.287) 3.714 7.359 ( 1.234 0.768 -1.429) 2.038 7.393 ( 1.930 -0.920 -0.052) 2.138 7.408 ( -0.187 2.733 0.362) 2.763 7.483 ( -0.136 -3.564 1.797) 3.993 ======================= Grid point 126 (60/60) ======================= q-point: ( 0.43 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.87e-04 5.87e-04 5.87e-04 5.87e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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: 99 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 2.863 7.785 -1.447) 8.420 1.395 ( 1.571 5.783 -0.544) 6.018 1.493 ( 2.500 7.317 0.248) 7.737 1.563 ( -2.982 1.743 -0.628) 3.511 1.616 ( 3.972 -1.473 -1.595) 4.527 1.648 ( 2.131 -7.111 -2.618) 7.872 1.732 ( -0.598 0.854 1.274) 1.646 1.751 ( -1.622 -0.287 2.100) 2.669 1.883 ( 5.850 3.738 3.582) 7.812 1.943 ( 1.282 6.859 1.465) 7.130 1.963 ( 3.729 4.137 2.037) 5.930 2.005 ( 3.004 -4.828 1.366) 5.848 2.011 ( 2.074 -3.346 1.968) 4.402 2.089 ( 1.670 -3.850 -3.676) 5.579 2.120 ( -4.163 -2.480 -1.100) 4.969 2.198 ( 0.926 -6.390 1.370) 6.601 2.255 ( -4.799 3.442 -4.620) 7.499 2.274 ( -4.037 0.359 -3.339) 5.251 2.318 ( 0.192 -2.387 -0.831) 2.535 2.408 ( -5.781 -5.549 -3.692) 8.823 2.490 ( -0.007 0.306 -0.527) 0.609 2.510 ( -3.402 -1.266 2.334) 4.316 2.555 ( 0.965 -1.787 -1.004) 2.266 2.591 ( -2.578 -3.315 0.131) 4.201 2.712 ( 1.479 1.403 2.026) 2.874 2.752 ( 1.703 -0.381 -2.426) 2.989 2.815 ( 3.431 -1.919 0.189) 3.935 2.848 ( -0.523 -2.158 -0.704) 2.329 2.924 ( 1.721 -0.312 0.515) 1.824 2.941 ( 2.487 -2.606 -1.497) 3.901 3.003 ( -0.253 -0.058 2.419) 2.433 3.021 ( -0.921 -1.791 0.546) 2.086 3.136 ( 0.412 0.963 3.991) 4.126 3.166 ( 0.369 -1.385 2.640) 3.004 3.222 ( 2.148 1.368 -1.131) 2.786 3.245 ( -1.648 -0.960 0.384) 1.945 3.318 ( 2.605 1.886 -1.387) 3.503 3.347 ( -0.336 -0.386 -0.157) 0.535 3.393 ( -1.577 0.122 1.427) 2.130 3.434 ( -1.175 -3.083 -2.600) 4.201 3.563 ( 3.280 1.589 -1.007) 3.781 3.593 ( 2.043 -1.318 -1.840) 3.049 3.613 ( -1.726 0.897 1.394) 2.393 3.623 ( -2.503 1.063 1.129) 2.944 3.649 ( 1.553 1.188 1.093) 2.240 3.672 ( -0.248 -1.113 1.144) 1.615 3.742 ( 0.867 0.005 0.343) 0.932 3.761 ( 0.352 -1.405 -2.524) 2.910 3.860 ( 0.130 1.474 2.217) 2.665 3.876 ( 1.599 1.103 -2.458) 3.133 3.891 ( 0.166 -0.290 1.137) 1.185 3.914 ( 0.291 -1.303 -2.344) 2.698 4.126 ( 1.156 4.042 1.303) 4.402 4.157 ( -0.298 1.137 -0.603) 1.321 4.195 ( -2.065 2.127 2.965) 4.193 4.214 ( -2.177 0.855 -1.671) 2.874 4.267 ( 0.516 0.567 2.520) 2.634 4.305 ( -0.009 -1.974 -0.344) 2.004 4.343 ( -1.366 1.028 -1.053) 2.008 4.378 ( -2.025 -2.284 -2.594) 4.006 4.498 ( 2.662 0.347 0.696) 2.774 4.519 ( 0.365 -1.460 0.449) 1.571 4.628 ( 2.709 1.997 0.033) 3.366 4.653 ( 2.283 0.035 0.348) 2.309 4.705 ( -1.546 0.137 0.096) 1.555 4.736 ( -3.475 -2.256 1.035) 4.271 4.789 ( -0.635 0.780 1.184) 1.553 4.803 ( -0.652 -1.360 -0.044) 1.509 4.896 ( -1.084 2.835 1.922) 3.592 4.920 ( -0.168 0.681 -1.864) 1.992 4.997 ( -0.355 1.046 -1.010) 1.497 5.021 ( -2.151 -1.019 -0.255) 2.394 5.049 ( -0.385 -0.425 1.582) 1.683 5.069 ( -1.465 -1.931 0.472) 2.469 5.256 ( -0.781 0.963 0.537) 1.351 5.271 ( -1.599 -0.085 -0.093) 1.604 5.301 ( -0.289 -0.122 -0.054) 0.318 5.310 ( -1.375 -0.708 0.876) 1.778 5.446 ( 0.463 -0.104 -0.315) 0.570 5.461 ( 0.281 -1.246 -2.463) 2.775 5.600 ( -0.466 1.132 0.227) 1.245 5.609 ( -1.251 -0.005 0.204) 1.268 5.733 ( 1.143 0.396 0.573) 1.339 5.747 ( 2.111 -0.975 1.321) 2.674 5.782 ( -1.210 2.076 -0.902) 2.566 5.821 ( -2.107 -1.561 -0.836) 2.752 5.836 ( 1.292 0.639 -0.182) 1.453 5.852 ( -0.585 -0.789 -0.220) 1.007 5.935 ( -0.849 0.627 -0.909) 1.393 5.957 ( -2.121 -1.516 -1.898) 3.225 6.082 ( 2.350 0.417 0.990) 2.584 6.091 ( 2.116 -0.453 0.051) 2.164 6.182 ( 1.230 1.091 -0.612) 1.754 6.191 ( 0.803 0.278 -1.265) 1.524 6.211 ( -0.000 2.637 2.705) 3.778 6.237 ( 0.154 1.902 -2.651) 3.266 6.264 ( -0.642 -2.287 3.336) 4.095 6.275 ( 1.259 -1.682 -1.593) 2.637 6.604 ( -1.663 1.333 0.721) 2.250 6.619 ( -3.036 -0.220 0.388) 3.068 7.051 ( 0.300 0.394 0.235) 0.548 7.058 ( -0.209 -0.342 -0.140) 0.425 7.331 ( 2.950 2.182 -0.445) 3.696 7.337 ( 1.235 0.116 0.161) 1.251 7.363 ( 0.940 2.575 -0.981) 2.912 7.387 ( -2.086 5.244 0.744) 5.693 7.445 ( 3.079 -4.439 -0.439) 5.420 7.481 ( -1.630 -4.560 0.712) 4.895 =================== 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 3/21168 10.0 207.228 180.365 150.144 0.000 21.668 0.000 3/21168 20.0 30.428 25.887 23.609 0.000 3.022 0.000 3/21168 30.0 11.687 10.046 9.187 0.000 1.121 0.000 3/21168 40.0 6.520 5.678 5.170 0.000 0.612 0.000 3/21168 50.0 4.370 3.842 3.487 0.000 0.403 0.000 3/21168 60.0 3.254 2.878 2.608 0.000 0.296 0.000 3/21168 70.0 2.590 2.297 2.082 0.000 0.233 0.000 3/21168 80.0 2.154 1.914 1.735 0.000 0.192 0.000 3/21168 90.0 1.848 1.643 1.490 0.000 0.163 0.000 3/21168 100.0 1.621 1.441 1.308 0.000 0.142 0.000 3/21168 110.0 1.446 1.285 1.168 0.000 0.126 0.000 3/21168 120.0 1.306 1.161 1.055 0.000 0.113 0.000 3/21168 130.0 1.193 1.059 0.963 0.000 0.103 0.000 3/21168 140.0 1.098 0.975 0.887 0.000 0.094 0.000 3/21168 150.0 1.018 0.903 0.822 0.000 0.087 0.000 3/21168 160.0 0.949 0.842 0.766 0.000 0.081 0.000 3/21168 170.0 0.890 0.788 0.718 0.000 0.075 0.000 3/21168 180.0 0.837 0.741 0.676 0.000 0.071 0.000 3/21168 190.0 0.791 0.700 0.638 0.000 0.067 0.000 3/21168 200.0 0.749 0.663 0.604 0.000 0.063 0.000 3/21168 210.0 0.712 0.630 0.574 0.000 0.060 0.000 3/21168 220.0 0.678 0.600 0.547 0.000 0.057 0.000 3/21168 230.0 0.648 0.573 0.522 0.000 0.054 0.000 3/21168 240.0 0.620 0.548 0.500 0.000 0.052 0.000 3/21168 250.0 0.595 0.525 0.479 0.000 0.049 0.000 3/21168 260.0 0.571 0.505 0.460 0.000 0.047 0.000 3/21168 270.0 0.550 0.485 0.443 0.000 0.046 0.000 3/21168 280.0 0.530 0.468 0.427 0.000 0.044 0.000 3/21168 290.0 0.511 0.451 0.411 0.000 0.042 0.000 3/21168 300.0 0.494 0.436 0.397 0.000 0.041 0.000 3/21168 310.0 0.477 0.421 0.384 0.000 0.039 0.000 3/21168 320.0 0.462 0.408 0.372 0.000 0.038 0.000 3/21168 330.0 0.448 0.395 0.361 0.000 0.037 0.000 3/21168 340.0 0.435 0.384 0.350 0.000 0.036 0.000 3/21168 350.0 0.422 0.372 0.340 0.000 0.035 0.000 3/21168 360.0 0.410 0.362 0.330 0.000 0.034 0.000 3/21168 370.0 0.399 0.352 0.321 0.000 0.033 0.000 3/21168 380.0 0.389 0.343 0.313 0.000 0.032 0.000 3/21168 390.0 0.378 0.334 0.305 0.000 0.031 0.000 3/21168 400.0 0.369 0.325 0.297 0.000 0.030 0.000 3/21168 410.0 0.360 0.317 0.290 0.000 0.030 0.000 3/21168 420.0 0.351 0.310 0.283 0.000 0.029 0.000 3/21168 430.0 0.343 0.302 0.276 0.000 0.028 0.000 3/21168 440.0 0.335 0.295 0.270 0.000 0.028 0.000 3/21168 450.0 0.328 0.289 0.264 0.000 0.027 0.000 3/21168 460.0 0.321 0.283 0.258 0.000 0.026 0.000 3/21168 470.0 0.314 0.276 0.252 0.000 0.026 0.000 3/21168 480.0 0.307 0.271 0.247 0.000 0.025 0.000 3/21168 490.0 0.301 0.265 0.242 0.000 0.025 0.000 3/21168 500.0 0.295 0.260 0.237 0.000 0.024 0.000 3/21168 510.0 0.289 0.255 0.232 0.000 0.024 0.000 3/21168 520.0 0.283 0.250 0.228 0.000 0.023 0.000 3/21168 530.0 0.278 0.245 0.224 0.000 0.023 0.000 3/21168 540.0 0.273 0.240 0.219 0.000 0.022 0.000 3/21168 550.0 0.268 0.236 0.215 0.000 0.022 0.000 3/21168 560.0 0.263 0.232 0.211 0.000 0.022 0.000 3/21168 570.0 0.258 0.228 0.208 0.000 0.021 0.000 3/21168 580.0 0.254 0.224 0.204 0.000 0.021 0.000 3/21168 590.0 0.250 0.220 0.201 0.000 0.020 0.000 3/21168 600.0 0.246 0.216 0.197 0.000 0.020 0.000 3/21168 610.0 0.241 0.213 0.194 0.000 0.020 0.000 3/21168 620.0 0.238 0.209 0.191 0.000 0.019 0.000 3/21168 630.0 0.234 0.206 0.188 0.000 0.019 0.000 3/21168 640.0 0.230 0.203 0.185 0.000 0.019 0.000 3/21168 650.0 0.227 0.200 0.182 0.000 0.019 0.000 3/21168 660.0 0.223 0.197 0.179 0.000 0.018 0.000 3/21168 670.0 0.220 0.194 0.177 0.000 0.018 0.000 3/21168 680.0 0.217 0.191 0.174 0.000 0.018 0.000 3/21168 690.0 0.213 0.188 0.171 0.000 0.017 0.000 3/21168 700.0 0.210 0.185 0.169 0.000 0.017 0.000 3/21168 710.0 0.207 0.183 0.167 0.000 0.017 0.000 3/21168 720.0 0.205 0.180 0.164 0.000 0.017 0.000 3/21168 730.0 0.202 0.178 0.162 0.000 0.016 0.000 3/21168 740.0 0.199 0.175 0.160 0.000 0.016 0.000 3/21168 750.0 0.196 0.173 0.158 0.000 0.016 0.000 3/21168 760.0 0.194 0.171 0.156 0.000 0.016 0.000 3/21168 770.0 0.191 0.168 0.154 0.000 0.016 0.000 3/21168 780.0 0.189 0.166 0.152 0.000 0.015 0.000 3/21168 790.0 0.186 0.164 0.150 0.000 0.015 0.000 3/21168 800.0 0.184 0.162 0.148 0.000 0.015 0.000 3/21168 810.0 0.182 0.160 0.146 0.000 0.015 0.000 3/21168 820.0 0.180 0.158 0.144 0.000 0.015 0.000 3/21168 830.0 0.177 0.156 0.143 0.000 0.014 0.000 3/21168 840.0 0.175 0.154 0.141 0.000 0.014 0.000 3/21168 850.0 0.173 0.153 0.139 0.000 0.014 0.000 3/21168 860.0 0.171 0.151 0.138 0.000 0.014 0.000 3/21168 870.0 0.169 0.149 0.136 0.000 0.014 0.000 3/21168 880.0 0.167 0.147 0.134 0.000 0.014 0.000 3/21168 890.0 0.165 0.146 0.133 0.000 0.013 0.000 3/21168 900.0 0.164 0.144 0.131 0.000 0.013 0.000 3/21168 910.0 0.162 0.142 0.130 0.000 0.013 0.000 3/21168 920.0 0.160 0.141 0.129 0.000 0.013 0.000 3/21168 930.0 0.158 0.139 0.127 0.000 0.013 0.000 3/21168 940.0 0.157 0.138 0.126 0.000 0.013 0.000 3/21168 950.0 0.155 0.136 0.124 0.000 0.013 0.000 3/21168 960.0 0.153 0.135 0.123 0.000 0.012 0.000 3/21168 970.0 0.152 0.134 0.122 0.000 0.012 0.000 3/21168 980.0 0.150 0.132 0.121 0.000 0.012 0.000 3/21168 990.0 0.149 0.131 0.119 0.000 0.012 0.000 3/21168 1000.0 0.147 0.130 0.118 0.000 0.012 0.000 3/21168 Thermal conductivity related properties were written into "kappa-m774.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:47:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|