----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:37:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] 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 8.784419540412692 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702528530000000 0.000000000000000 c -4.433290352045358 0.000000000000000 7.710671217155910 Atomic positions (fractional): *1 Na 0.00368881064267 0.34873794358077 0.48906856364608 22.990 2 Na 0.99631118935733 0.84873794358077 0.01093143635392 22.990 3 Na 0.99631118935733 0.65126205641923 0.51093143635392 22.990 4 Na 0.00368881064267 0.15126205641923 0.98906856364608 22.990 *5 Na 0.77641394241866 0.94228460285736 0.30643090530304 22.990 6 Na 0.22358605758134 0.44228460285736 0.19356909469696 22.990 7 Na 0.22358605758134 0.05771539714264 0.69356909469696 22.990 8 Na 0.77641394241866 0.55771539714264 0.80643090530304 22.990 *9 Na 0.53404576668988 0.22867871698281 0.24940798427942 22.990 10 Na 0.46595423331012 0.72867871698281 0.25059201572058 22.990 11 Na 0.46595423331012 0.77132128301719 0.75059201572058 22.990 12 Na 0.53404576668988 0.27132128301719 0.74940798427942 22.990 *13 Ge 0.65189697184443 0.98963065221695 0.61928186309784 72.640 14 Ge 0.34810302815557 0.48963065221695 0.88071813690216 72.640 15 Ge 0.34810302815557 0.01036934778305 0.38071813690216 72.640 16 Ge 0.65189697184443 0.51036934778305 0.11928186309784 72.640 *17 Te 0.75477370281890 0.79964781610338 0.61541925073372 127.600 18 Te 0.24522629718110 0.29964781610338 0.88458074926628 127.600 19 Te 0.24522629718110 0.20035218389662 0.38458074926628 127.600 20 Te 0.75477370281890 0.70035218389662 0.11541925073372 127.600 *21 Te 0.64457869725025 0.02388395573493 0.90180222112155 127.600 22 Te 0.35542130274975 0.52388395573493 0.59819777887845 127.600 23 Te 0.35542130274975 0.97611604426507 0.09819777887844 127.600 24 Te 0.64457869725025 0.47611604426507 0.40180222112156 127.600 *25 Te 0.84303132592902 0.13062572269545 0.58218034109118 127.600 26 Te 0.15696867407098 0.63062572269545 0.91781965890882 127.600 27 Te 0.15696867407098 0.86937427730455 0.41781965890882 127.600 28 Te 0.84303132592902 0.36937427730455 0.08218034109118 127.600 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.784419540412692 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702528530000000 0.000000000000000 c -4.433290352045358 0.000000000000000 7.710671217155910 Atomic positions (fractional): *1 Na 0.00368881064267 0.34873794358077 0.48906856364608 22.990 > 1 2 Na 0.99631118935733 0.84873794358077 0.01093143635392 22.990 > 2 3 Na 0.99631118935733 0.65126205641923 0.51093143635392 22.990 > 3 4 Na 0.00368881064267 0.15126205641923 0.98906856364608 22.990 > 4 *5 Na 0.77641394241866 0.94228460285736 0.30643090530304 22.990 > 5 6 Na 0.22358605758134 0.44228460285736 0.19356909469696 22.990 > 6 7 Na 0.22358605758134 0.05771539714264 0.69356909469696 22.990 > 7 8 Na 0.77641394241866 0.55771539714264 0.80643090530304 22.990 > 8 *9 Na 0.53404576668988 0.22867871698281 0.24940798427942 22.990 > 9 10 Na 0.46595423331012 0.72867871698281 0.25059201572058 22.990 > 10 11 Na 0.46595423331012 0.77132128301719 0.75059201572058 22.990 > 11 12 Na 0.53404576668988 0.27132128301719 0.74940798427942 22.990 > 12 *13 Ge 0.65189697184443 0.98963065221695 0.61928186309784 72.640 > 13 14 Ge 0.34810302815557 0.48963065221695 0.88071813690216 72.640 > 14 15 Ge 0.34810302815557 0.01036934778305 0.38071813690216 72.640 > 15 16 Ge 0.65189697184443 0.51036934778305 0.11928186309784 72.640 > 16 *17 Te 0.75477370281890 0.79964781610338 0.61541925073372 127.600 > 17 18 Te 0.24522629718110 0.29964781610338 0.88458074926628 127.600 > 18 19 Te 0.24522629718110 0.20035218389662 0.38458074926628 127.600 > 19 20 Te 0.75477370281890 0.70035218389662 0.11541925073372 127.600 > 20 *21 Te 0.64457869725025 0.02388395573493 0.90180222112155 127.600 > 21 22 Te 0.35542130274975 0.52388395573493 0.59819777887845 127.600 > 22 23 Te 0.35542130274975 0.97611604426507 0.09819777887844 127.600 > 23 24 Te 0.64457869725025 0.47611604426507 0.40180222112156 127.600 > 24 *25 Te 0.84303132592902 0.13062572269545 0.58218034109118 127.600 > 25 26 Te 0.15696867407098 0.63062572269545 0.91781965890882 127.600 > 26 27 Te 0.15696867407098 0.86937427730455 0.41781965890882 127.600 > 27 28 Te 0.84303132592902 0.36937427730455 0.08218034109118 127.600 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.568839080825384 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702528530000000 0.000000000000000 c -8.866580704090715 0.000000000000000 15.421342434311820 Atomic positions (fractional): *1 Na 0.00184440532133 0.34873794358077 0.24453428182304 22.990 > 1 2 Na 0.50184440532133 0.34873794358077 0.24453428182304 22.990 > 1 3 Na 0.00184440532133 0.34873794358077 0.74453428182304 22.990 > 1 4 Na 0.50184440532133 0.34873794358077 0.74453428182304 22.990 > 1 5 Na 0.49815559467867 0.84873794358077 0.00546571817696 22.990 > 2 6 Na 0.99815559467867 0.84873794358077 0.00546571817696 22.990 > 2 7 Na 0.49815559467867 0.84873794358077 0.50546571817696 22.990 > 2 8 Na 0.99815559467867 0.84873794358077 0.50546571817696 22.990 > 2 9 Na 0.49815559467867 0.65126205641923 0.25546571817696 22.990 > 3 10 Na 0.99815559467867 0.65126205641923 0.25546571817696 22.990 > 3 11 Na 0.49815559467867 0.65126205641923 0.75546571817696 22.990 > 3 12 Na 0.99815559467867 0.65126205641923 0.75546571817696 22.990 > 3 13 Na 0.00184440532133 0.15126205641923 0.49453428182304 22.990 > 4 14 Na 0.50184440532133 0.15126205641923 0.49453428182304 22.990 > 4 15 Na 0.00184440532133 0.15126205641923 0.99453428182304 22.990 > 4 16 Na 0.50184440532133 0.15126205641923 0.99453428182304 22.990 > 4 *17 Na 0.38820697120933 0.94228460285736 0.15321545265152 22.990 > 5 18 Na 0.88820697120933 0.94228460285736 0.15321545265152 22.990 > 5 19 Na 0.38820697120933 0.94228460285736 0.65321545265152 22.990 > 5 20 Na 0.88820697120933 0.94228460285736 0.65321545265152 22.990 > 5 21 Na 0.11179302879067 0.44228460285736 0.09678454734848 22.990 > 6 22 Na 0.61179302879067 0.44228460285736 0.09678454734848 22.990 > 6 23 Na 0.11179302879067 0.44228460285736 0.59678454734848 22.990 > 6 24 Na 0.61179302879067 0.44228460285736 0.59678454734848 22.990 > 6 25 Na 0.11179302879067 0.05771539714264 0.34678454734848 22.990 > 7 26 Na 0.61179302879067 0.05771539714264 0.34678454734848 22.990 > 7 27 Na 0.11179302879067 0.05771539714264 0.84678454734848 22.990 > 7 28 Na 0.61179302879067 0.05771539714264 0.84678454734848 22.990 > 7 29 Na 0.38820697120933 0.55771539714264 0.40321545265152 22.990 > 8 30 Na 0.88820697120933 0.55771539714264 0.40321545265152 22.990 > 8 31 Na 0.38820697120933 0.55771539714264 0.90321545265152 22.990 > 8 32 Na 0.88820697120933 0.55771539714264 0.90321545265152 22.990 > 8 *33 Na 0.26702288334494 0.22867871698281 0.12470399213971 22.990 > 9 34 Na 0.76702288334494 0.22867871698281 0.12470399213971 22.990 > 9 35 Na 0.26702288334494 0.22867871698281 0.62470399213971 22.990 > 9 36 Na 0.76702288334494 0.22867871698281 0.62470399213971 22.990 > 9 37 Na 0.23297711665506 0.72867871698281 0.12529600786029 22.990 > 10 38 Na 0.73297711665506 0.72867871698281 0.12529600786029 22.990 > 10 39 Na 0.23297711665506 0.72867871698281 0.62529600786029 22.990 > 10 40 Na 0.73297711665506 0.72867871698281 0.62529600786029 22.990 > 10 41 Na 0.23297711665506 0.77132128301719 0.37529600786029 22.990 > 11 42 Na 0.73297711665506 0.77132128301719 0.37529600786029 22.990 > 11 43 Na 0.23297711665506 0.77132128301719 0.87529600786029 22.990 > 11 44 Na 0.73297711665506 0.77132128301719 0.87529600786029 22.990 > 11 45 Na 0.26702288334494 0.27132128301719 0.37470399213971 22.990 > 12 46 Na 0.76702288334494 0.27132128301719 0.37470399213971 22.990 > 12 47 Na 0.26702288334494 0.27132128301719 0.87470399213971 22.990 > 12 48 Na 0.76702288334494 0.27132128301719 0.87470399213971 22.990 > 12 *49 Ge 0.32594848592222 0.98963065221695 0.30964093154892 72.640 > 13 50 Ge 0.82594848592222 0.98963065221695 0.30964093154892 72.640 > 13 51 Ge 0.32594848592222 0.98963065221695 0.80964093154892 72.640 > 13 52 Ge 0.82594848592222 0.98963065221695 0.80964093154892 72.640 > 13 53 Ge 0.17405151407778 0.48963065221695 0.44035906845108 72.640 > 14 54 Ge 0.67405151407778 0.48963065221695 0.44035906845108 72.640 > 14 55 Ge 0.17405151407778 0.48963065221695 0.94035906845108 72.640 > 14 56 Ge 0.67405151407778 0.48963065221695 0.94035906845108 72.640 > 14 57 Ge 0.17405151407778 0.01036934778305 0.19035906845108 72.640 > 15 58 Ge 0.67405151407778 0.01036934778305 0.19035906845108 72.640 > 15 59 Ge 0.17405151407778 0.01036934778305 0.69035906845108 72.640 > 15 60 Ge 0.67405151407778 0.01036934778305 0.69035906845108 72.640 > 15 61 Ge 0.32594848592222 0.51036934778305 0.05964093154892 72.640 > 16 62 Ge 0.82594848592222 0.51036934778305 0.05964093154892 72.640 > 16 63 Ge 0.32594848592222 0.51036934778305 0.55964093154892 72.640 > 16 64 Ge 0.82594848592222 0.51036934778305 0.55964093154892 72.640 > 16 *65 Te 0.37738685140945 0.79964781610338 0.30770962536686 127.600 > 17 66 Te 0.87738685140945 0.79964781610338 0.30770962536686 127.600 > 17 67 Te 0.37738685140945 0.79964781610338 0.80770962536686 127.600 > 17 68 Te 0.87738685140945 0.79964781610338 0.80770962536686 127.600 > 17 69 Te 0.12261314859055 0.29964781610338 0.44229037463314 127.600 > 18 70 Te 0.62261314859055 0.29964781610338 0.44229037463314 127.600 > 18 71 Te 0.12261314859055 0.29964781610338 0.94229037463314 127.600 > 18 72 Te 0.62261314859055 0.29964781610338 0.94229037463314 127.600 > 18 73 Te 0.12261314859055 0.20035218389662 0.19229037463314 127.600 > 19 74 Te 0.62261314859055 0.20035218389662 0.19229037463314 127.600 > 19 75 Te 0.12261314859055 0.20035218389662 0.69229037463314 127.600 > 19 76 Te 0.62261314859055 0.20035218389662 0.69229037463314 127.600 > 19 77 Te 0.37738685140945 0.70035218389662 0.05770962536686 127.600 > 20 78 Te 0.87738685140945 0.70035218389662 0.05770962536686 127.600 > 20 79 Te 0.37738685140945 0.70035218389662 0.55770962536686 127.600 > 20 80 Te 0.87738685140945 0.70035218389662 0.55770962536686 127.600 > 20 *81 Te 0.32228934862513 0.02388395573493 0.45090111056078 127.600 > 21 82 Te 0.82228934862513 0.02388395573493 0.45090111056078 127.600 > 21 83 Te 0.32228934862513 0.02388395573493 0.95090111056078 127.600 > 21 84 Te 0.82228934862513 0.02388395573493 0.95090111056078 127.600 > 21 85 Te 0.17771065137487 0.52388395573493 0.29909888943922 127.600 > 22 86 Te 0.67771065137487 0.52388395573493 0.29909888943922 127.600 > 22 87 Te 0.17771065137487 0.52388395573493 0.79909888943922 127.600 > 22 88 Te 0.67771065137487 0.52388395573493 0.79909888943922 127.600 > 22 89 Te 0.17771065137487 0.97611604426507 0.04909888943922 127.600 > 23 90 Te 0.67771065137487 0.97611604426507 0.04909888943922 127.600 > 23 91 Te 0.17771065137487 0.97611604426507 0.54909888943922 127.600 > 23 92 Te 0.67771065137487 0.97611604426507 0.54909888943922 127.600 > 23 93 Te 0.32228934862513 0.47611604426507 0.20090111056078 127.600 > 24 94 Te 0.82228934862513 0.47611604426507 0.20090111056078 127.600 > 24 95 Te 0.32228934862513 0.47611604426507 0.70090111056078 127.600 > 24 96 Te 0.82228934862513 0.47611604426507 0.70090111056078 127.600 > 24 *97 Te 0.42151566296451 0.13062572269545 0.29109017054559 127.600 > 25 98 Te 0.92151566296451 0.13062572269545 0.29109017054559 127.600 > 25 99 Te 0.42151566296451 0.13062572269545 0.79109017054559 127.600 > 25 100 Te 0.92151566296451 0.13062572269545 0.79109017054559 127.600 > 25 101 Te 0.07848433703549 0.63062572269545 0.45890982945441 127.600 > 26 102 Te 0.57848433703549 0.63062572269545 0.45890982945441 127.600 > 26 103 Te 0.07848433703549 0.63062572269545 0.95890982945441 127.600 > 26 104 Te 0.57848433703549 0.63062572269545 0.95890982945441 127.600 > 26 105 Te 0.07848433703549 0.86937427730455 0.20890982945441 127.600 > 27 106 Te 0.57848433703549 0.86937427730455 0.20890982945441 127.600 > 27 107 Te 0.07848433703549 0.86937427730455 0.70890982945441 127.600 > 27 108 Te 0.57848433703549 0.86937427730455 0.70890982945441 127.600 > 27 109 Te 0.42151566296451 0.36937427730455 0.04109017054559 127.600 > 28 110 Te 0.92151566296451 0.36937427730455 0.04109017054559 127.600 > 28 111 Te 0.42151566296451 0.36937427730455 0.54109017054559 127.600 > 28 112 Te 0.92151566296451 0.36937427730455 0.54109017054559 127.600 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7905818 0.0000000 0.0703543 0.0000000 7.6539381 0.0000000 0.0703571 0.0000000 6.8651471 -------------------------- Born effective charges -------------------------- 1 Na 1.3949403 0.0880225 0.1919273 -0.1233082 1.3079438 -0.0215741 0.2377943 -0.0870461 1.2388189 2 Na 1.3949403 -0.0880225 0.1919273 0.1233082 1.3079438 0.0215741 0.2377943 0.0870461 1.2388189 3 Na 1.3949403 0.0880225 0.1919273 -0.1233082 1.3079438 -0.0215741 0.2377943 -0.0870461 1.2388189 4 Na 1.3949403 -0.0880225 0.1919273 0.1233082 1.3079438 0.0215741 0.2377943 0.0870461 1.2388189 5 Na 1.4157755 -0.1675938 -0.0961577 -0.1043239 1.0502026 0.1683923 -0.2184399 0.0193550 1.3958981 6 Na 1.4157755 0.1675938 -0.0961577 0.1043239 1.0502026 -0.1683923 -0.2184399 -0.0193550 1.3958981 7 Na 1.4157755 -0.1675938 -0.0961577 -0.1043239 1.0502026 0.1683923 -0.2184399 0.0193550 1.3958981 8 Na 1.4157755 0.1675938 -0.0961577 0.1043239 1.0502026 -0.1683923 -0.2184399 -0.0193550 1.3958981 9 Na 0.8660661 0.2030166 -0.1215181 0.1755514 1.3995410 -0.2927775 -0.0105318 -0.2097048 1.1266704 10 Na 0.8660661 -0.2030166 -0.1215181 -0.1755514 1.3995410 0.2927775 -0.0105318 0.2097048 1.1266704 11 Na 0.8660661 0.2030166 -0.1215181 0.1755514 1.3995410 -0.2927775 -0.0105318 -0.2097048 1.1266704 12 Na 0.8660661 -0.2030166 -0.1215181 -0.1755514 1.3995410 0.2927775 -0.0105318 0.2097048 1.1266704 13 Ge 1.7206375 -0.1700695 -0.7387373 0.1032487 2.2527150 -0.1677285 -0.1497578 0.1753832 1.7437119 14 Ge 1.7206375 0.1700695 -0.7387373 -0.1032487 2.2527150 0.1677285 -0.1497578 -0.1753832 1.7437119 15 Ge 1.7206375 -0.1700695 -0.7387373 0.1032487 2.2527150 -0.1677285 -0.1497578 0.1753832 1.7437119 16 Ge 1.7206375 0.1700695 -0.7387373 -0.1032487 2.2527150 0.1677285 -0.1497578 -0.1753832 1.7437119 17 Te -1.6771366 0.8156602 0.3145710 0.4391812 -2.5474343 0.1681265 0.1487930 0.2585035 -1.4286579 18 Te -1.6771366 -0.8156602 0.3145710 -0.4391812 -2.5474343 -0.1681265 0.1487930 -0.2585035 -1.4286579 19 Te -1.6771366 0.8156602 0.3145710 0.4391812 -2.5474343 0.1681265 0.1487930 0.2585035 -1.4286579 20 Te -1.6771366 -0.8156602 0.3145710 -0.4391812 -2.5474343 -0.1681265 0.1487930 -0.2585035 -1.4286579 21 Te -1.3199876 0.2373643 0.1652211 0.1329108 -1.6505331 0.0507434 0.1356591 -0.1761197 -2.5851965 22 Te -1.3199876 -0.2373643 0.1652211 -0.1329108 -1.6505331 -0.0507434 0.1356591 0.1761197 -2.5851965 23 Te -1.3199876 0.2373643 0.1652211 0.1329108 -1.6505331 0.0507434 0.1356591 -0.1761197 -2.5851965 24 Te -1.3199876 -0.2373643 0.1652211 -0.1329108 -1.6505331 -0.0507434 0.1356591 0.1761197 -2.5851965 25 Te -2.4002953 -0.6923989 0.2846937 -0.8272502 -1.8124350 0.2926450 -0.1435169 0.1127073 -1.4912449 26 Te -2.4002953 0.6923989 0.2846937 0.8272502 -1.8124350 -0.2926450 -0.1435169 -0.1127073 -1.4912449 27 Te -2.4002953 -0.6923989 0.2846937 -0.8272502 -1.8124350 0.2926450 -0.1435169 0.1127073 -1.4912449 28 Te -2.4002953 0.6923989 0.2846937 0.8272502 -1.8124350 -0.2926450 -0.1435169 -0.1127073 -1.4912449 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.012 Solver_block: 100 / 880 - Time: 1.054 Solver_block: 200 / 880 - Time: 0.958 Solver_block: 300 / 880 - Time: 0.962 Solver_block: 400 / 880 - Time: 1.074 Solver_block: 500 / 880 - Time: 0.944 Solver_block: 600 / 880 - Time: 1.112 Solver_block: 700 / 880 - Time: 0.896 Solver_block: 800 / 880 - Time: 1.049 Solver_block: 880 / 880 - Time: 0.777 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.126 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (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: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), 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 02:38:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:38:42]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.784419540412692 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702528530000000 0.000000000000000 c -4.433290352045358 0.000000000000000 7.710671217155910 Atomic positions (fractional): 1 Na 0.00368881064267 0.34873794358077 0.48906856364608 22.990 2 Na 0.99631118935733 0.84873794358077 0.01093143635392 22.990 3 Na 0.99631118935733 0.65126205641923 0.51093143635392 22.990 4 Na 0.00368881064267 0.15126205641923 0.98906856364608 22.990 5 Na 0.77641394241866 0.94228460285736 0.30643090530304 22.990 6 Na 0.22358605758134 0.44228460285736 0.19356909469696 22.990 7 Na 0.22358605758134 0.05771539714264 0.69356909469696 22.990 8 Na 0.77641394241866 0.55771539714264 0.80643090530304 22.990 9 Na 0.53404576668988 0.22867871698281 0.24940798427942 22.990 10 Na 0.46595423331012 0.72867871698281 0.25059201572058 22.990 11 Na 0.46595423331012 0.77132128301719 0.75059201572058 22.990 12 Na 0.53404576668988 0.27132128301719 0.74940798427942 22.990 13 Ge 0.65189697184443 0.98963065221695 0.61928186309784 72.640 14 Ge 0.34810302815557 0.48963065221695 0.88071813690216 72.640 15 Ge 0.34810302815557 0.01036934778305 0.38071813690216 72.640 16 Ge 0.65189697184443 0.51036934778305 0.11928186309784 72.640 17 Te 0.75477370281890 0.79964781610338 0.61541925073372 127.600 18 Te 0.24522629718110 0.29964781610338 0.88458074926628 127.600 19 Te 0.24522629718110 0.20035218389662 0.38458074926628 127.600 20 Te 0.75477370281890 0.70035218389662 0.11541925073372 127.600 21 Te 0.64457869725025 0.02388395573493 0.90180222112155 127.600 22 Te 0.35542130274975 0.52388395573493 0.59819777887845 127.600 23 Te 0.35542130274975 0.97611604426507 0.09819777887844 127.600 24 Te 0.64457869725025 0.47611604426507 0.40180222112156 127.600 25 Te 0.84303132592902 0.13062572269545 0.58218034109118 127.600 26 Te 0.15696867407098 0.63062572269545 0.91781965890882 127.600 27 Te 0.15696867407098 0.86937427730455 0.41781965890882 127.600 28 Te 0.84303132592902 0.36937427730455 0.08218034109118 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.568839080825384 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702528530000000 0.000000000000000 c -8.866580704090715 0.000000000000000 15.421342434311820 Atomic positions (fractional): 1 Na 0.00184440532133 0.34873794358077 0.24453428182304 22.990 > 1 2 Na 0.50184440532133 0.34873794358077 0.24453428182304 22.990 > 1 3 Na 0.00184440532133 0.34873794358077 0.74453428182304 22.990 > 1 4 Na 0.50184440532133 0.34873794358077 0.74453428182304 22.990 > 1 5 Na 0.49815559467867 0.84873794358077 0.00546571817696 22.990 > 5 6 Na 0.99815559467867 0.84873794358077 0.00546571817696 22.990 > 5 7 Na 0.49815559467867 0.84873794358077 0.50546571817696 22.990 > 5 8 Na 0.99815559467867 0.84873794358077 0.50546571817696 22.990 > 5 9 Na 0.49815559467867 0.65126205641923 0.25546571817696 22.990 > 9 10 Na 0.99815559467867 0.65126205641923 0.25546571817696 22.990 > 9 11 Na 0.49815559467867 0.65126205641923 0.75546571817696 22.990 > 9 12 Na 0.99815559467867 0.65126205641923 0.75546571817696 22.990 > 9 13 Na 0.00184440532133 0.15126205641923 0.49453428182304 22.990 > 13 14 Na 0.50184440532133 0.15126205641923 0.49453428182304 22.990 > 13 15 Na 0.00184440532133 0.15126205641923 0.99453428182304 22.990 > 13 16 Na 0.50184440532133 0.15126205641923 0.99453428182304 22.990 > 13 17 Na 0.38820697120933 0.94228460285736 0.15321545265152 22.990 > 17 18 Na 0.88820697120933 0.94228460285736 0.15321545265152 22.990 > 17 19 Na 0.38820697120933 0.94228460285736 0.65321545265152 22.990 > 17 20 Na 0.88820697120933 0.94228460285736 0.65321545265152 22.990 > 17 21 Na 0.11179302879067 0.44228460285736 0.09678454734848 22.990 > 21 22 Na 0.61179302879067 0.44228460285736 0.09678454734848 22.990 > 21 23 Na 0.11179302879067 0.44228460285736 0.59678454734848 22.990 > 21 24 Na 0.61179302879067 0.44228460285736 0.59678454734848 22.990 > 21 25 Na 0.11179302879067 0.05771539714264 0.34678454734848 22.990 > 25 26 Na 0.61179302879067 0.05771539714264 0.34678454734848 22.990 > 25 27 Na 0.11179302879067 0.05771539714264 0.84678454734848 22.990 > 25 28 Na 0.61179302879067 0.05771539714264 0.84678454734848 22.990 > 25 29 Na 0.38820697120933 0.55771539714264 0.40321545265152 22.990 > 29 30 Na 0.88820697120933 0.55771539714264 0.40321545265152 22.990 > 29 31 Na 0.38820697120933 0.55771539714264 0.90321545265152 22.990 > 29 32 Na 0.88820697120933 0.55771539714264 0.90321545265152 22.990 > 29 33 Na 0.26702288334494 0.22867871698281 0.12470399213971 22.990 > 33 34 Na 0.76702288334494 0.22867871698281 0.12470399213971 22.990 > 33 35 Na 0.26702288334494 0.22867871698281 0.62470399213971 22.990 > 33 36 Na 0.76702288334494 0.22867871698281 0.62470399213971 22.990 > 33 37 Na 0.23297711665506 0.72867871698281 0.12529600786029 22.990 > 37 38 Na 0.73297711665506 0.72867871698281 0.12529600786029 22.990 > 37 39 Na 0.23297711665506 0.72867871698281 0.62529600786029 22.990 > 37 40 Na 0.73297711665506 0.72867871698281 0.62529600786029 22.990 > 37 41 Na 0.23297711665506 0.77132128301719 0.37529600786029 22.990 > 41 42 Na 0.73297711665506 0.77132128301719 0.37529600786029 22.990 > 41 43 Na 0.23297711665506 0.77132128301719 0.87529600786029 22.990 > 41 44 Na 0.73297711665506 0.77132128301719 0.87529600786029 22.990 > 41 45 Na 0.26702288334494 0.27132128301719 0.37470399213971 22.990 > 45 46 Na 0.76702288334494 0.27132128301719 0.37470399213971 22.990 > 45 47 Na 0.26702288334494 0.27132128301719 0.87470399213971 22.990 > 45 48 Na 0.76702288334494 0.27132128301719 0.87470399213971 22.990 > 45 49 Ge 0.32594848592222 0.98963065221695 0.30964093154892 72.640 > 49 50 Ge 0.82594848592222 0.98963065221695 0.30964093154892 72.640 > 49 51 Ge 0.32594848592222 0.98963065221695 0.80964093154892 72.640 > 49 52 Ge 0.82594848592222 0.98963065221695 0.80964093154892 72.640 > 49 53 Ge 0.17405151407778 0.48963065221695 0.44035906845108 72.640 > 53 54 Ge 0.67405151407778 0.48963065221695 0.44035906845108 72.640 > 53 55 Ge 0.17405151407778 0.48963065221695 0.94035906845108 72.640 > 53 56 Ge 0.67405151407778 0.48963065221695 0.94035906845108 72.640 > 53 57 Ge 0.17405151407778 0.01036934778305 0.19035906845108 72.640 > 57 58 Ge 0.67405151407778 0.01036934778305 0.19035906845108 72.640 > 57 59 Ge 0.17405151407778 0.01036934778305 0.69035906845108 72.640 > 57 60 Ge 0.67405151407778 0.01036934778305 0.69035906845108 72.640 > 57 61 Ge 0.32594848592222 0.51036934778305 0.05964093154892 72.640 > 61 62 Ge 0.82594848592222 0.51036934778305 0.05964093154892 72.640 > 61 63 Ge 0.32594848592222 0.51036934778305 0.55964093154892 72.640 > 61 64 Ge 0.82594848592222 0.51036934778305 0.55964093154892 72.640 > 61 65 Te 0.37738685140945 0.79964781610338 0.30770962536686 127.600 > 65 66 Te 0.87738685140945 0.79964781610338 0.30770962536686 127.600 > 65 67 Te 0.37738685140945 0.79964781610338 0.80770962536686 127.600 > 65 68 Te 0.87738685140945 0.79964781610338 0.80770962536686 127.600 > 65 69 Te 0.12261314859055 0.29964781610338 0.44229037463314 127.600 > 69 70 Te 0.62261314859055 0.29964781610338 0.44229037463314 127.600 > 69 71 Te 0.12261314859055 0.29964781610338 0.94229037463314 127.600 > 69 72 Te 0.62261314859055 0.29964781610338 0.94229037463314 127.600 > 69 73 Te 0.12261314859055 0.20035218389662 0.19229037463314 127.600 > 73 74 Te 0.62261314859055 0.20035218389662 0.19229037463314 127.600 > 73 75 Te 0.12261314859055 0.20035218389662 0.69229037463314 127.600 > 73 76 Te 0.62261314859055 0.20035218389662 0.69229037463314 127.600 > 73 77 Te 0.37738685140945 0.70035218389662 0.05770962536686 127.600 > 77 78 Te 0.87738685140945 0.70035218389662 0.05770962536686 127.600 > 77 79 Te 0.37738685140945 0.70035218389662 0.55770962536686 127.600 > 77 80 Te 0.87738685140945 0.70035218389662 0.55770962536686 127.600 > 77 81 Te 0.32228934862513 0.02388395573493 0.45090111056078 127.600 > 81 82 Te 0.82228934862513 0.02388395573493 0.45090111056078 127.600 > 81 83 Te 0.32228934862513 0.02388395573493 0.95090111056078 127.600 > 81 84 Te 0.82228934862513 0.02388395573493 0.95090111056078 127.600 > 81 85 Te 0.17771065137487 0.52388395573493 0.29909888943922 127.600 > 85 86 Te 0.67771065137487 0.52388395573493 0.29909888943922 127.600 > 85 87 Te 0.17771065137487 0.52388395573493 0.79909888943922 127.600 > 85 88 Te 0.67771065137487 0.52388395573493 0.79909888943922 127.600 > 85 89 Te 0.17771065137487 0.97611604426507 0.04909888943922 127.600 > 89 90 Te 0.67771065137487 0.97611604426507 0.04909888943922 127.600 > 89 91 Te 0.17771065137487 0.97611604426507 0.54909888943922 127.600 > 89 92 Te 0.67771065137487 0.97611604426507 0.54909888943922 127.600 > 89 93 Te 0.32228934862513 0.47611604426507 0.20090111056078 127.600 > 93 94 Te 0.82228934862513 0.47611604426507 0.20090111056078 127.600 > 93 95 Te 0.32228934862513 0.47611604426507 0.70090111056078 127.600 > 93 96 Te 0.82228934862513 0.47611604426507 0.70090111056078 127.600 > 93 97 Te 0.42151566296451 0.13062572269545 0.29109017054559 127.600 > 97 98 Te 0.92151566296451 0.13062572269545 0.29109017054559 127.600 > 97 99 Te 0.42151566296451 0.13062572269545 0.79109017054559 127.600 > 97 100 Te 0.92151566296451 0.13062572269545 0.79109017054559 127.600 > 97 101 Te 0.07848433703549 0.63062572269545 0.45890982945441 127.600 > 101 102 Te 0.57848433703549 0.63062572269545 0.45890982945441 127.600 > 101 103 Te 0.07848433703549 0.63062572269545 0.95890982945441 127.600 > 101 104 Te 0.57848433703549 0.63062572269545 0.95890982945441 127.600 > 101 105 Te 0.07848433703549 0.86937427730455 0.20890982945441 127.600 > 105 106 Te 0.57848433703549 0.86937427730455 0.20890982945441 127.600 > 105 107 Te 0.07848433703549 0.86937427730455 0.70890982945441 127.600 > 105 108 Te 0.57848433703549 0.86937427730455 0.70890982945441 127.600 > 105 109 Te 0.42151566296451 0.36937427730455 0.04109017054559 127.600 > 109 110 Te 0.92151566296451 0.36937427730455 0.04109017054559 127.600 > 109 111 Te 0.42151566296451 0.36937427730455 0.54109017054559 127.600 > 109 112 Te 0.92151566296451 0.36937427730455 0.54109017054559 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.7905818 0.0000000 0.0703543 0.0000000 7.6539381 0.0000000 0.0703571 0.0000000 6.8651471 -------------------------- Born effective charges -------------------------- 1 Na 1.3949403 0.0880225 0.1919273 -0.1233082 1.3079438 -0.0215741 0.2377943 -0.0870461 1.2388189 2 Na 1.3949403 -0.0880225 0.1919273 0.1233082 1.3079438 0.0215741 0.2377943 0.0870461 1.2388189 3 Na 1.3949403 0.0880225 0.1919273 -0.1233082 1.3079438 -0.0215741 0.2377943 -0.0870461 1.2388189 4 Na 1.3949403 -0.0880225 0.1919273 0.1233082 1.3079438 0.0215741 0.2377943 0.0870461 1.2388189 5 Na 1.4157755 -0.1675938 -0.0961577 -0.1043239 1.0502026 0.1683923 -0.2184399 0.0193550 1.3958981 6 Na 1.4157755 0.1675938 -0.0961577 0.1043239 1.0502026 -0.1683923 -0.2184399 -0.0193550 1.3958981 7 Na 1.4157755 -0.1675938 -0.0961577 -0.1043239 1.0502026 0.1683923 -0.2184399 0.0193550 1.3958981 8 Na 1.4157755 0.1675938 -0.0961577 0.1043239 1.0502026 -0.1683923 -0.2184399 -0.0193550 1.3958981 9 Na 0.8660661 0.2030166 -0.1215181 0.1755514 1.3995410 -0.2927775 -0.0105318 -0.2097048 1.1266704 10 Na 0.8660661 -0.2030166 -0.1215181 -0.1755514 1.3995410 0.2927775 -0.0105318 0.2097048 1.1266704 11 Na 0.8660661 0.2030166 -0.1215181 0.1755514 1.3995410 -0.2927775 -0.0105318 -0.2097048 1.1266704 12 Na 0.8660661 -0.2030166 -0.1215181 -0.1755514 1.3995410 0.2927775 -0.0105318 0.2097048 1.1266704 13 Ge 1.7206375 -0.1700695 -0.7387373 0.1032487 2.2527150 -0.1677285 -0.1497578 0.1753832 1.7437119 14 Ge 1.7206375 0.1700695 -0.7387373 -0.1032487 2.2527150 0.1677285 -0.1497578 -0.1753832 1.7437119 15 Ge 1.7206375 -0.1700695 -0.7387373 0.1032487 2.2527150 -0.1677285 -0.1497578 0.1753832 1.7437119 16 Ge 1.7206375 0.1700695 -0.7387373 -0.1032487 2.2527150 0.1677285 -0.1497578 -0.1753832 1.7437119 17 Te -1.6771366 0.8156602 0.3145710 0.4391812 -2.5474343 0.1681265 0.1487930 0.2585035 -1.4286579 18 Te -1.6771366 -0.8156602 0.3145710 -0.4391812 -2.5474343 -0.1681265 0.1487930 -0.2585035 -1.4286579 19 Te -1.6771366 0.8156602 0.3145710 0.4391812 -2.5474343 0.1681265 0.1487930 0.2585035 -1.4286579 20 Te -1.6771366 -0.8156602 0.3145710 -0.4391812 -2.5474343 -0.1681265 0.1487930 -0.2585035 -1.4286579 21 Te -1.3199876 0.2373643 0.1652211 0.1329108 -1.6505331 0.0507434 0.1356591 -0.1761197 -2.5851965 22 Te -1.3199876 -0.2373643 0.1652211 -0.1329108 -1.6505331 -0.0507434 0.1356591 0.1761197 -2.5851965 23 Te -1.3199876 0.2373643 0.1652211 0.1329108 -1.6505331 0.0507434 0.1356591 -0.1761197 -2.5851965 24 Te -1.3199876 -0.2373643 0.1652211 -0.1329108 -1.6505331 -0.0507434 0.1356591 0.1761197 -2.5851965 25 Te -2.4002953 -0.6923989 0.2846937 -0.8272502 -1.8124350 0.2926450 -0.1435169 0.1127073 -1.4912449 26 Te -2.4002953 0.6923989 0.2846937 0.8272502 -1.8124350 -0.2926450 -0.1435169 -0.1127073 -1.4912449 27 Te -2.4002953 -0.6923989 0.2846937 -0.8272502 -1.8124350 0.2926450 -0.1435169 0.1127073 -1.4912449 28 Te -2.4002953 0.6923989 0.2846937 0.8272502 -1.8124350 -0.2926450 -0.1435169 -0.1127073 -1.4912449 ---------------------------------------------------------------------------- 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] 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] [-0.0050 0.0000 0.0087] [ 0.0050 0.0000 -0.0087] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:39:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:39:15]------------------------- 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 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.784419540412692 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702528530000000 0.000000000000000 c -4.433290352045358 0.000000000000000 7.710671217155910 Atomic positions (fractional): 1 Na 0.00368881064267 0.34873794358077 0.48906856364608 22.990 2 Na 0.99631118935733 0.84873794358077 0.01093143635392 22.990 3 Na 0.99631118935733 0.65126205641923 0.51093143635392 22.990 4 Na 0.00368881064267 0.15126205641923 0.98906856364608 22.990 5 Na 0.77641394241866 0.94228460285736 0.30643090530304 22.990 6 Na 0.22358605758134 0.44228460285736 0.19356909469696 22.990 7 Na 0.22358605758134 0.05771539714264 0.69356909469696 22.990 8 Na 0.77641394241866 0.55771539714264 0.80643090530304 22.990 9 Na 0.53404576668988 0.22867871698281 0.24940798427942 22.990 10 Na 0.46595423331012 0.72867871698281 0.25059201572058 22.990 11 Na 0.46595423331012 0.77132128301719 0.75059201572058 22.990 12 Na 0.53404576668988 0.27132128301719 0.74940798427942 22.990 13 Ge 0.65189697184443 0.98963065221695 0.61928186309784 72.640 14 Ge 0.34810302815557 0.48963065221695 0.88071813690216 72.640 15 Ge 0.34810302815557 0.01036934778305 0.38071813690216 72.640 16 Ge 0.65189697184443 0.51036934778305 0.11928186309784 72.640 17 Te 0.75477370281890 0.79964781610338 0.61541925073372 127.600 18 Te 0.24522629718110 0.29964781610338 0.88458074926628 127.600 19 Te 0.24522629718110 0.20035218389662 0.38458074926628 127.600 20 Te 0.75477370281890 0.70035218389662 0.11541925073372 127.600 21 Te 0.64457869725025 0.02388395573493 0.90180222112155 127.600 22 Te 0.35542130274975 0.52388395573493 0.59819777887845 127.600 23 Te 0.35542130274975 0.97611604426507 0.09819777887844 127.600 24 Te 0.64457869725025 0.47611604426507 0.40180222112156 127.600 25 Te 0.84303132592902 0.13062572269545 0.58218034109118 127.600 26 Te 0.15696867407098 0.63062572269545 0.91781965890882 127.600 27 Te 0.15696867407098 0.86937427730455 0.41781965890882 127.600 28 Te 0.84303132592902 0.36937427730455 0.08218034109118 127.600 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.568839080825384 0.000000000000000 0.000000000000000 b 0.000000000000000 12.702528530000000 0.000000000000000 c -8.866580704090715 0.000000000000000 15.421342434311820 Atomic positions (fractional): 1 Na 0.00184440532133 0.34873794358077 0.24453428182304 22.990 > 1 2 Na 0.50184440532133 0.34873794358077 0.24453428182304 22.990 > 1 3 Na 0.00184440532133 0.34873794358077 0.74453428182304 22.990 > 1 4 Na 0.50184440532133 0.34873794358077 0.74453428182304 22.990 > 1 5 Na 0.49815559467867 0.84873794358077 0.00546571817696 22.990 > 5 6 Na 0.99815559467867 0.84873794358077 0.00546571817696 22.990 > 5 7 Na 0.49815559467867 0.84873794358077 0.50546571817696 22.990 > 5 8 Na 0.99815559467867 0.84873794358077 0.50546571817696 22.990 > 5 9 Na 0.49815559467867 0.65126205641923 0.25546571817696 22.990 > 9 10 Na 0.99815559467867 0.65126205641923 0.25546571817696 22.990 > 9 11 Na 0.49815559467867 0.65126205641923 0.75546571817696 22.990 > 9 12 Na 0.99815559467867 0.65126205641923 0.75546571817696 22.990 > 9 13 Na 0.00184440532133 0.15126205641923 0.49453428182304 22.990 > 13 14 Na 0.50184440532133 0.15126205641923 0.49453428182304 22.990 > 13 15 Na 0.00184440532133 0.15126205641923 0.99453428182304 22.990 > 13 16 Na 0.50184440532133 0.15126205641923 0.99453428182304 22.990 > 13 17 Na 0.38820697120933 0.94228460285736 0.15321545265152 22.990 > 17 18 Na 0.88820697120933 0.94228460285736 0.15321545265152 22.990 > 17 19 Na 0.38820697120933 0.94228460285736 0.65321545265152 22.990 > 17 20 Na 0.88820697120933 0.94228460285736 0.65321545265152 22.990 > 17 21 Na 0.11179302879067 0.44228460285736 0.09678454734848 22.990 > 21 22 Na 0.61179302879067 0.44228460285736 0.09678454734848 22.990 > 21 23 Na 0.11179302879067 0.44228460285736 0.59678454734848 22.990 > 21 24 Na 0.61179302879067 0.44228460285736 0.59678454734848 22.990 > 21 25 Na 0.11179302879067 0.05771539714264 0.34678454734848 22.990 > 25 26 Na 0.61179302879067 0.05771539714264 0.34678454734848 22.990 > 25 27 Na 0.11179302879067 0.05771539714264 0.84678454734848 22.990 > 25 28 Na 0.61179302879067 0.05771539714264 0.84678454734848 22.990 > 25 29 Na 0.38820697120933 0.55771539714264 0.40321545265152 22.990 > 29 30 Na 0.88820697120933 0.55771539714264 0.40321545265152 22.990 > 29 31 Na 0.38820697120933 0.55771539714264 0.90321545265152 22.990 > 29 32 Na 0.88820697120933 0.55771539714264 0.90321545265152 22.990 > 29 33 Na 0.26702288334494 0.22867871698281 0.12470399213971 22.990 > 33 34 Na 0.76702288334494 0.22867871698281 0.12470399213971 22.990 > 33 35 Na 0.26702288334494 0.22867871698281 0.62470399213971 22.990 > 33 36 Na 0.76702288334494 0.22867871698281 0.62470399213971 22.990 > 33 37 Na 0.23297711665506 0.72867871698281 0.12529600786029 22.990 > 37 38 Na 0.73297711665506 0.72867871698281 0.12529600786029 22.990 > 37 39 Na 0.23297711665506 0.72867871698281 0.62529600786029 22.990 > 37 40 Na 0.73297711665506 0.72867871698281 0.62529600786029 22.990 > 37 41 Na 0.23297711665506 0.77132128301719 0.37529600786029 22.990 > 41 42 Na 0.73297711665506 0.77132128301719 0.37529600786029 22.990 > 41 43 Na 0.23297711665506 0.77132128301719 0.87529600786029 22.990 > 41 44 Na 0.73297711665506 0.77132128301719 0.87529600786029 22.990 > 41 45 Na 0.26702288334494 0.27132128301719 0.37470399213971 22.990 > 45 46 Na 0.76702288334494 0.27132128301719 0.37470399213971 22.990 > 45 47 Na 0.26702288334494 0.27132128301719 0.87470399213971 22.990 > 45 48 Na 0.76702288334494 0.27132128301719 0.87470399213971 22.990 > 45 49 Ge 0.32594848592222 0.98963065221695 0.30964093154892 72.640 > 49 50 Ge 0.82594848592222 0.98963065221695 0.30964093154892 72.640 > 49 51 Ge 0.32594848592222 0.98963065221695 0.80964093154892 72.640 > 49 52 Ge 0.82594848592222 0.98963065221695 0.80964093154892 72.640 > 49 53 Ge 0.17405151407778 0.48963065221695 0.44035906845108 72.640 > 53 54 Ge 0.67405151407778 0.48963065221695 0.44035906845108 72.640 > 53 55 Ge 0.17405151407778 0.48963065221695 0.94035906845108 72.640 > 53 56 Ge 0.67405151407778 0.48963065221695 0.94035906845108 72.640 > 53 57 Ge 0.17405151407778 0.01036934778305 0.19035906845108 72.640 > 57 58 Ge 0.67405151407778 0.01036934778305 0.19035906845108 72.640 > 57 59 Ge 0.17405151407778 0.01036934778305 0.69035906845108 72.640 > 57 60 Ge 0.67405151407778 0.01036934778305 0.69035906845108 72.640 > 57 61 Ge 0.32594848592222 0.51036934778305 0.05964093154892 72.640 > 61 62 Ge 0.82594848592222 0.51036934778305 0.05964093154892 72.640 > 61 63 Ge 0.32594848592222 0.51036934778305 0.55964093154892 72.640 > 61 64 Ge 0.82594848592222 0.51036934778305 0.55964093154892 72.640 > 61 65 Te 0.37738685140945 0.79964781610338 0.30770962536686 127.600 > 65 66 Te 0.87738685140945 0.79964781610338 0.30770962536686 127.600 > 65 67 Te 0.37738685140945 0.79964781610338 0.80770962536686 127.600 > 65 68 Te 0.87738685140945 0.79964781610338 0.80770962536686 127.600 > 65 69 Te 0.12261314859055 0.29964781610338 0.44229037463314 127.600 > 69 70 Te 0.62261314859055 0.29964781610338 0.44229037463314 127.600 > 69 71 Te 0.12261314859055 0.29964781610338 0.94229037463314 127.600 > 69 72 Te 0.62261314859055 0.29964781610338 0.94229037463314 127.600 > 69 73 Te 0.12261314859055 0.20035218389662 0.19229037463314 127.600 > 73 74 Te 0.62261314859055 0.20035218389662 0.19229037463314 127.600 > 73 75 Te 0.12261314859055 0.20035218389662 0.69229037463314 127.600 > 73 76 Te 0.62261314859055 0.20035218389662 0.69229037463314 127.600 > 73 77 Te 0.37738685140945 0.70035218389662 0.05770962536686 127.600 > 77 78 Te 0.87738685140945 0.70035218389662 0.05770962536686 127.600 > 77 79 Te 0.37738685140945 0.70035218389662 0.55770962536686 127.600 > 77 80 Te 0.87738685140945 0.70035218389662 0.55770962536686 127.600 > 77 81 Te 0.32228934862513 0.02388395573493 0.45090111056078 127.600 > 81 82 Te 0.82228934862513 0.02388395573493 0.45090111056078 127.600 > 81 83 Te 0.32228934862513 0.02388395573493 0.95090111056078 127.600 > 81 84 Te 0.82228934862513 0.02388395573493 0.95090111056078 127.600 > 81 85 Te 0.17771065137487 0.52388395573493 0.29909888943922 127.600 > 85 86 Te 0.67771065137487 0.52388395573493 0.29909888943922 127.600 > 85 87 Te 0.17771065137487 0.52388395573493 0.79909888943922 127.600 > 85 88 Te 0.67771065137487 0.52388395573493 0.79909888943922 127.600 > 85 89 Te 0.17771065137487 0.97611604426507 0.04909888943922 127.600 > 89 90 Te 0.67771065137487 0.97611604426507 0.04909888943922 127.600 > 89 91 Te 0.17771065137487 0.97611604426507 0.54909888943922 127.600 > 89 92 Te 0.67771065137487 0.97611604426507 0.54909888943922 127.600 > 89 93 Te 0.32228934862513 0.47611604426507 0.20090111056078 127.600 > 93 94 Te 0.82228934862513 0.47611604426507 0.20090111056078 127.600 > 93 95 Te 0.32228934862513 0.47611604426507 0.70090111056078 127.600 > 93 96 Te 0.82228934862513 0.47611604426507 0.70090111056078 127.600 > 93 97 Te 0.42151566296451 0.13062572269545 0.29109017054559 127.600 > 97 98 Te 0.92151566296451 0.13062572269545 0.29109017054559 127.600 > 97 99 Te 0.42151566296451 0.13062572269545 0.79109017054559 127.600 > 97 100 Te 0.92151566296451 0.13062572269545 0.79109017054559 127.600 > 97 101 Te 0.07848433703549 0.63062572269545 0.45890982945441 127.600 > 101 102 Te 0.57848433703549 0.63062572269545 0.45890982945441 127.600 > 101 103 Te 0.07848433703549 0.63062572269545 0.95890982945441 127.600 > 101 104 Te 0.57848433703549 0.63062572269545 0.95890982945441 127.600 > 101 105 Te 0.07848433703549 0.86937427730455 0.20890982945441 127.600 > 105 106 Te 0.57848433703549 0.86937427730455 0.20890982945441 127.600 > 105 107 Te 0.07848433703549 0.86937427730455 0.70890982945441 127.600 > 105 108 Te 0.57848433703549 0.86937427730455 0.70890982945441 127.600 > 105 109 Te 0.42151566296451 0.36937427730455 0.04109017054559 127.600 > 109 110 Te 0.92151566296451 0.36937427730455 0.04109017054559 127.600 > 109 111 Te 0.42151566296451 0.36937427730455 0.54109017054559 127.600 > 109 112 Te 0.92151566296451 0.36937427730455 0.54109017054559 127.600 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.7905818 0.0000000 0.0703543 0.0000000 7.6539381 0.0000000 0.0703571 0.0000000 6.8651471 -------------------------- Born effective charges -------------------------- 1 Na 1.3949403 0.0880225 0.1919273 -0.1233082 1.3079438 -0.0215741 0.2377943 -0.0870461 1.2388189 2 Na 1.3949403 -0.0880225 0.1919273 0.1233082 1.3079438 0.0215741 0.2377943 0.0870461 1.2388189 3 Na 1.3949403 0.0880225 0.1919273 -0.1233082 1.3079438 -0.0215741 0.2377943 -0.0870461 1.2388189 4 Na 1.3949403 -0.0880225 0.1919273 0.1233082 1.3079438 0.0215741 0.2377943 0.0870461 1.2388189 5 Na 1.4157755 -0.1675938 -0.0961577 -0.1043239 1.0502026 0.1683923 -0.2184399 0.0193550 1.3958981 6 Na 1.4157755 0.1675938 -0.0961577 0.1043239 1.0502026 -0.1683923 -0.2184399 -0.0193550 1.3958981 7 Na 1.4157755 -0.1675938 -0.0961577 -0.1043239 1.0502026 0.1683923 -0.2184399 0.0193550 1.3958981 8 Na 1.4157755 0.1675938 -0.0961577 0.1043239 1.0502026 -0.1683923 -0.2184399 -0.0193550 1.3958981 9 Na 0.8660661 0.2030166 -0.1215181 0.1755514 1.3995410 -0.2927775 -0.0105318 -0.2097048 1.1266704 10 Na 0.8660661 -0.2030166 -0.1215181 -0.1755514 1.3995410 0.2927775 -0.0105318 0.2097048 1.1266704 11 Na 0.8660661 0.2030166 -0.1215181 0.1755514 1.3995410 -0.2927775 -0.0105318 -0.2097048 1.1266704 12 Na 0.8660661 -0.2030166 -0.1215181 -0.1755514 1.3995410 0.2927775 -0.0105318 0.2097048 1.1266704 13 Ge 1.7206375 -0.1700695 -0.7387373 0.1032487 2.2527150 -0.1677285 -0.1497578 0.1753832 1.7437119 14 Ge 1.7206375 0.1700695 -0.7387373 -0.1032487 2.2527150 0.1677285 -0.1497578 -0.1753832 1.7437119 15 Ge 1.7206375 -0.1700695 -0.7387373 0.1032487 2.2527150 -0.1677285 -0.1497578 0.1753832 1.7437119 16 Ge 1.7206375 0.1700695 -0.7387373 -0.1032487 2.2527150 0.1677285 -0.1497578 -0.1753832 1.7437119 17 Te -1.6771366 0.8156602 0.3145710 0.4391812 -2.5474343 0.1681265 0.1487930 0.2585035 -1.4286579 18 Te -1.6771366 -0.8156602 0.3145710 -0.4391812 -2.5474343 -0.1681265 0.1487930 -0.2585035 -1.4286579 19 Te -1.6771366 0.8156602 0.3145710 0.4391812 -2.5474343 0.1681265 0.1487930 0.2585035 -1.4286579 20 Te -1.6771366 -0.8156602 0.3145710 -0.4391812 -2.5474343 -0.1681265 0.1487930 -0.2585035 -1.4286579 21 Te -1.3199876 0.2373643 0.1652211 0.1329108 -1.6505331 0.0507434 0.1356591 -0.1761197 -2.5851965 22 Te -1.3199876 -0.2373643 0.1652211 -0.1329108 -1.6505331 -0.0507434 0.1356591 0.1761197 -2.5851965 23 Te -1.3199876 0.2373643 0.1652211 0.1329108 -1.6505331 0.0507434 0.1356591 -0.1761197 -2.5851965 24 Te -1.3199876 -0.2373643 0.1652211 -0.1329108 -1.6505331 -0.0507434 0.1356591 0.1761197 -2.5851965 25 Te -2.4002953 -0.6923989 0.2846937 -0.8272502 -1.8124350 0.2926450 -0.1435169 0.1127073 -1.4912449 26 Te -2.4002953 0.6923989 0.2846937 0.8272502 -1.8124350 -0.2926450 -0.1435169 -0.1127073 -1.4912449 27 Te -2.4002953 -0.6923989 0.2846937 -0.8272502 -1.8124350 0.2926450 -0.1435169 0.1127073 -1.4912449 28 Te -2.4002953 0.6923989 0.2846937 0.8272502 -1.8124350 -0.2926450 -0.1435169 -0.1127073 -1.4912449 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 4 6 ] 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: 299, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/66) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.438 ( 0.000 0.000 0.000) 0.000 0.787 ( 0.000 0.000 0.000) 0.000 0.865 ( 0.000 0.000 0.000) 0.000 0.906 ( 0.000 0.000 0.000) 0.000 0.908 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.202 ( 0.000 0.000 0.000) 0.000 1.216 ( 0.000 0.000 0.000) 0.000 1.403 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.577 ( 0.000 0.000 0.000) 0.000 1.637 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.693 ( 0.000 0.000 0.000) 0.000 1.754 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.943 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.064 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 0.000) 0.000 2.309 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.402 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.558 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 3.086 ( 0.000 0.000 0.000) 0.000 3.107 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.448 ( 0.000 0.000 0.000) 0.000 3.553 ( 0.000 0.000 0.000) 0.000 3.562 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 3.980 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.750 ( 0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 0.000) 0.000 4.868 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.527 ( 0.000 0.000 0.000) 0.000 6.762 ( 0.000 0.000 0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 6.848 ( 0.000 0.000 0.000) 0.000 6.851 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.048 ( 0.000 0.000 0.000) 0.000 7.898 ( 0.000 0.000 0.000) 0.000 7.989 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/66) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.239 ( 12.025 0.000 4.661) 12.897 0.302 ( 10.888 0.000 10.285) 14.977 0.415 ( 1.324 0.000 -5.663) 5.816 0.568 ( 21.344 0.000 20.241) 29.415 0.802 ( 1.398 0.000 0.399) 1.454 0.842 ( -0.706 0.000 -2.791) 2.879 0.888 ( -1.814 0.000 1.447) 2.321 0.986 ( 4.156 0.000 0.539) 4.191 1.077 ( 1.203 0.000 3.811) 3.996 1.163 ( 0.552 0.000 0.253) 0.607 1.177 ( -1.219 0.000 -2.857) 3.106 1.210 ( 0.183 0.000 -1.090) 1.106 1.388 ( -5.123 0.000 -3.785) 6.370 1.427 ( 2.753 0.000 -1.118) 2.972 1.493 ( -2.318 0.000 -3.197) 3.949 1.496 ( -3.254 0.000 -7.313) 8.004 1.635 ( -2.933 0.000 -0.548) 2.984 1.640 ( -0.754 0.000 0.312) 0.816 1.739 ( -3.171 0.000 2.260) 3.894 1.744 ( -1.008 0.000 3.251) 3.404 1.795 ( 0.037 0.000 5.280) 5.280 1.834 ( -0.418 0.000 0.523) 0.670 1.914 ( -1.014 0.000 -2.808) 2.986 1.997 ( 1.317 0.000 -0.186) 1.330 2.007 ( -1.683 0.000 2.311) 2.858 2.048 ( -0.343 0.000 0.871) 0.937 2.063 ( -0.049 0.000 -0.807) 0.808 2.111 ( -0.708 0.000 -1.836) 1.967 2.117 ( 6.089 0.000 -3.793) 7.174 2.252 ( -0.753 0.000 -2.702) 2.805 2.264 ( -2.603 0.000 5.215) 5.829 2.271 ( 1.249 0.000 -2.702) 2.976 2.294 ( -3.390 0.000 -1.225) 3.604 2.334 ( -3.649 0.000 2.461) 4.401 2.374 ( 1.149 0.000 -3.119) 3.324 2.399 ( 0.540 0.000 -1.711) 1.794 2.407 ( 1.887 0.000 -0.783) 2.043 2.505 ( 3.360 0.000 -4.405) 5.541 2.520 ( -2.559 0.000 -0.448) 2.598 2.559 ( 5.047 0.000 -2.724) 5.735 2.623 ( 1.385 0.000 1.866) 2.324 2.789 ( -3.563 0.000 1.240) 3.772 2.806 ( -2.911 0.000 -0.634) 2.979 2.873 ( -0.385 0.000 1.651) 1.695 2.917 ( 0.668 0.000 -0.455) 0.808 2.941 ( 4.857 0.000 -0.822) 4.926 2.998 ( 0.829 0.000 0.111) 0.837 3.096 ( -0.591 0.000 -0.800) 0.995 3.164 ( -3.515 0.000 -1.212) 3.718 3.170 ( 2.901 0.000 -0.652) 2.973 3.284 ( 1.884 0.000 -2.110) 2.828 3.336 ( -1.613 0.000 0.945) 1.869 3.449 ( 0.054 0.000 0.241) 0.247 3.452 ( 0.923 0.000 0.601) 1.101 3.549 ( 0.276 0.000 -1.240) 1.270 3.653 ( 2.589 0.000 -2.280) 3.450 3.655 ( -1.937 0.000 -2.901) 3.488 3.768 ( -0.920 0.000 4.413) 4.508 3.931 ( -1.526 0.000 -0.591) 1.636 3.981 ( 0.751 0.000 -1.167) 1.388 4.453 ( 1.532 0.000 2.328) 2.786 4.506 ( -1.134 0.000 8.464) 8.539 4.620 ( -1.054 0.000 -0.063) 1.056 4.679 ( -0.251 0.000 -0.118) 0.278 4.748 ( -0.231 0.000 0.364) 0.431 4.804 ( 0.781 0.000 0.668) 1.028 4.862 ( -0.115 0.000 -0.019) 0.117 5.026 ( 4.769 0.000 0.015) 4.769 5.028 ( 1.938 0.000 -6.788) 7.059 5.136 ( -0.890 0.000 1.069) 1.391 5.367 ( 0.291 0.000 0.698) 0.757 5.382 ( 0.064 0.000 -0.070) 0.094 5.516 ( 0.125 0.000 -1.068) 1.076 5.623 ( -8.227 0.000 12.479) 14.947 6.772 ( 0.258 0.000 1.213) 1.240 6.780 ( -2.553 0.000 -3.033) 3.964 6.849 ( 0.743 0.000 -1.595) 1.759 6.899 ( 1.100 0.000 2.335) 2.581 6.936 ( -2.854 0.000 0.860) 2.981 6.942 ( 4.201 0.000 -5.838) 7.193 7.052 ( 3.137 0.000 -0.659) 3.205 7.055 ( 0.856 0.000 0.204) 0.880 7.914 ( 1.332 0.000 1.046) 1.694 7.981 ( -0.632 0.000 -0.502) 0.807 ======================= Grid point 2 (3/66) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.336 ( -0.422 0.000 -6.758) 6.772 0.475 ( 11.716 0.000 4.166) 12.435 0.589 ( 9.918 0.000 9.116) 13.471 0.802 ( 0.715 0.000 -4.835) 4.887 0.820 ( 2.045 0.000 -2.573) 3.287 0.889 ( -0.703 0.000 4.258) 4.316 1.015 ( 5.004 0.000 12.000) 13.002 1.089 ( 10.362 0.000 4.192) 11.178 1.121 ( 0.409 0.000 -2.750) 2.781 1.143 ( 0.324 0.000 4.763) 4.774 1.169 ( 0.550 0.000 -0.974) 1.118 1.213 ( 1.543 0.000 -1.032) 1.857 1.253 ( -5.172 0.000 -4.302) 6.727 1.375 ( -0.737 0.000 -3.689) 3.762 1.424 ( -2.460 0.000 -2.507) 3.512 1.478 ( 1.525 0.000 -0.351) 1.565 1.582 ( -4.036 0.000 1.274) 4.232 1.611 ( -1.149 0.000 -3.196) 3.397 1.685 ( -5.879 0.000 2.304) 6.314 1.767 ( -0.071 0.000 4.106) 4.106 1.806 ( -2.383 0.000 1.211) 2.673 1.857 ( 2.126 0.000 -0.562) 2.199 1.903 ( 2.116 0.000 -0.531) 2.182 1.980 ( -1.643 0.000 0.111) 1.647 1.987 ( -3.059 0.000 1.490) 3.403 2.003 ( -0.512 0.000 -5.570) 5.593 2.045 ( -0.285 0.000 -1.934) 1.955 2.123 ( -2.730 0.000 -2.848) 3.945 2.131 ( -1.073 0.000 3.439) 3.603 2.183 ( -3.260 0.000 -3.236) 4.593 2.256 ( 0.956 0.000 -2.068) 2.278 2.267 ( -1.756 0.000 3.409) 3.835 2.287 ( 4.073 0.000 -2.521) 4.790 2.309 ( -2.547 0.000 3.906) 4.663 2.372 ( 1.145 0.000 -0.918) 1.467 2.397 ( 1.127 0.000 -0.856) 1.415 2.419 ( 0.227 0.000 -0.375) 0.438 2.494 ( -0.891 0.000 -0.876) 1.250 2.528 ( 3.354 0.000 -2.498) 4.182 2.605 ( 3.823 0.000 -3.161) 4.960 2.682 ( 3.037 0.000 2.849) 4.164 2.738 ( -4.546 0.000 0.055) 4.547 2.771 ( -0.681 0.000 2.197) 2.300 2.868 ( -2.133 0.000 2.384) 3.199 2.924 ( -0.565 0.000 -0.443) 0.718 2.985 ( 1.067 0.000 -1.296) 1.679 2.989 ( 1.159 0.000 -2.180) 2.469 3.079 ( -0.206 0.000 -0.664) 0.695 3.142 ( 1.128 0.000 -0.394) 1.194 3.191 ( -1.120 0.000 1.037) 1.526 3.280 ( -0.020 0.000 -1.459) 1.459 3.316 ( -0.066 0.000 -2.092) 2.093 3.455 ( 0.214 0.000 0.431) 0.481 3.473 ( 0.464 0.000 0.841) 0.961 3.541 ( 1.395 0.000 -3.289) 3.572 3.591 ( -4.534 0.000 1.588) 4.804 3.682 ( 3.682 0.000 -2.629) 4.525 3.774 ( -2.730 0.000 3.572) 4.496 3.925 ( 0.523 0.000 0.699) 0.873 3.980 ( 0.405 0.000 -1.104) 1.176 4.513 ( 2.424 0.000 3.119) 3.950 4.582 ( 2.368 0.000 4.968) 5.503 4.602 ( -0.894 0.000 -0.104) 0.900 4.671 ( -0.335 0.000 -0.402) 0.523 4.751 ( -0.606 0.000 1.145) 1.296 4.785 ( -1.824 0.000 -1.221) 2.195 4.868 ( 0.339 0.000 0.032) 0.341 4.988 ( 0.810 0.000 -5.877) 5.932 5.124 ( -1.849 0.000 1.012) 2.108 5.134 ( 6.344 0.000 1.506) 6.521 5.382 ( -0.054 0.000 -0.113) 0.125 5.382 ( 0.473 0.000 0.895) 1.012 5.502 ( -0.183 0.000 -1.697) 1.707 5.603 ( -3.606 0.000 4.171) 5.514 6.714 ( -2.132 0.000 -2.573) 3.342 6.784 ( -0.511 0.000 1.536) 1.618 6.849 ( 1.340 0.000 -1.945) 2.362 6.895 ( -2.474 0.000 1.395) 2.840 6.939 ( 0.917 0.000 1.157) 1.476 6.958 ( 1.404 0.000 -0.806) 1.619 7.080 ( 1.704 0.000 0.409) 1.752 7.092 ( 2.306 0.000 -0.539) 2.369 7.952 ( 1.656 0.000 1.295) 2.103 7.962 ( -0.854 0.000 -0.677) 1.090 ======================= Grid point 3 (4/66) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( -0.587 0.000 -3.018) 3.075 0.682 ( 7.930 0.000 4.032) 8.896 0.730 ( 0.214 0.000 0.319) 0.384 0.814 ( 0.881 0.000 -4.022) 4.118 0.867 ( 9.600 0.000 3.835) 10.338 0.900 ( -3.079 0.000 1.674) 3.505 1.032 ( -2.799 0.000 4.936) 5.674 1.068 ( -7.460 0.000 -4.500) 8.713 1.086 ( 2.112 0.000 -6.253) 6.600 1.165 ( 0.339 0.000 0.232) 0.410 1.167 ( -1.546 0.000 -0.829) 1.754 1.315 ( 5.842 0.000 4.682) 7.487 1.339 ( 0.613 0.000 3.288) 3.345 1.397 ( 2.287 0.000 1.093) 2.534 1.407 ( 5.062 0.000 1.985) 5.437 1.466 ( -2.156 0.000 -1.928) 2.892 1.538 ( -2.811 0.000 1.436) 3.157 1.542 ( -2.484 0.000 -3.836) 4.570 1.619 ( -2.684 0.000 0.525) 2.735 1.786 ( -0.325 0.000 0.441) 0.547 1.816 ( 1.526 0.000 2.516) 2.942 1.857 ( -0.369 0.000 -1.323) 1.374 1.922 ( -1.350 0.000 -0.470) 1.429 1.948 ( -1.636 0.000 0.507) 1.713 1.961 ( 0.447 0.000 -0.936) 1.037 1.979 ( -0.762 0.000 0.061) 0.764 2.014 ( -0.148 0.000 -2.588) 2.592 2.060 ( -1.413 0.000 -0.586) 1.530 2.081 ( -1.639 0.000 -1.406) 2.159 2.170 ( 0.101 0.000 1.287) 1.291 2.243 ( 0.597 0.000 -2.432) 2.505 2.273 ( -0.093 0.000 0.407) 0.417 2.305 ( -1.522 0.000 1.970) 2.489 2.338 ( 2.456 0.000 -0.101) 2.458 2.387 ( 0.751 0.000 -0.089) 0.756 2.409 ( -0.854 0.000 -0.129) 0.863 2.422 ( 1.031 0.000 0.412) 1.110 2.456 ( -1.380 0.000 -1.073) 1.748 2.558 ( 1.696 0.000 -0.737) 1.849 2.633 ( 3.077 0.000 -1.948) 3.642 2.676 ( -3.725 0.000 0.929) 3.839 2.758 ( 2.083 0.000 1.734) 2.710 2.802 ( 2.157 0.000 1.885) 2.865 2.857 ( -1.360 0.000 1.601) 2.101 2.902 ( -0.312 0.000 -1.085) 1.129 2.946 ( -2.822 0.000 -2.015) 3.468 3.004 ( 1.339 0.000 -0.784) 1.551 3.083 ( 0.570 0.000 -0.080) 0.575 3.160 ( 0.807 0.000 0.022) 0.807 3.166 ( -1.851 0.000 0.520) 1.923 3.267 ( -0.209 0.000 -0.488) 0.531 3.296 ( -0.136 0.000 -1.293) 1.300 3.463 ( 0.228 0.000 0.254) 0.341 3.480 ( -0.093 0.000 0.312) 0.325 3.533 ( 1.628 0.000 -3.625) 3.974 3.552 ( -2.680 0.000 3.017) 4.035 3.713 ( 2.235 0.000 -1.789) 2.863 3.763 ( -1.630 0.000 2.125) 2.679 3.939 ( 0.257 0.000 0.371) 0.452 3.976 ( 0.025 0.000 -0.440) 0.440 4.570 ( 1.074 0.000 1.147) 1.571 4.596 ( 0.188 0.000 0.643) 0.670 4.652 ( 0.874 0.000 0.799) 1.184 4.678 ( 2.016 0.000 2.149) 2.947 4.735 ( -2.153 0.000 -0.408) 2.191 4.744 ( -1.283 0.000 -1.093) 1.685 4.872 ( 0.178 0.000 -0.037) 0.182 4.959 ( 0.780 0.000 -2.799) 2.906 5.101 ( -1.362 0.000 0.411) 1.423 5.223 ( 2.549 0.000 0.813) 2.675 5.379 ( -0.071 0.000 -0.057) 0.091 5.395 ( 0.281 0.000 0.430) 0.514 5.484 ( -0.210 0.000 -0.911) 0.935 5.589 ( -1.094 0.000 1.042) 1.511 6.671 ( -0.846 0.000 -1.027) 1.330 6.785 ( -0.391 0.000 0.563) 0.686 6.854 ( 0.662 0.000 -0.697) 0.961 6.876 ( -0.908 0.000 0.527) 1.050 6.957 ( 0.335 0.000 0.494) 0.597 6.969 ( 0.346 0.000 0.028) 0.347 7.108 ( 0.925 0.000 0.249) 0.958 7.115 ( 0.828 0.000 -0.225) 0.858 7.946 ( -0.402 0.000 -0.320) 0.514 7.982 ( 0.735 0.000 0.573) 0.932 ======================= Grid point 7 (5/66) ======================= q-point: ( 0.00 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( 0.000 9.718 0.000) 9.718 0.301 ( 0.000 14.944 0.000) 14.944 0.412 ( 0.000 0.397 0.000) 0.397 0.521 ( 0.000 21.601 0.000) 21.601 0.754 ( 0.000 -4.702 0.000) 4.702 0.843 ( 0.000 -2.870 0.000) 2.870 0.863 ( 0.000 -2.796 0.000) 2.796 0.881 ( 0.000 -0.747 0.000) 0.747 1.034 ( 0.000 -2.819 0.000) 2.819 1.112 ( 0.000 0.375 0.000) 0.375 1.187 ( 0.000 -2.948 0.000) 2.948 1.244 ( 0.000 1.650 0.000) 1.650 1.340 ( 0.000 -5.012 0.000) 5.012 1.364 ( 0.000 -8.661 0.000) 8.661 1.543 ( 0.000 1.178 0.000) 1.178 1.611 ( 0.000 -0.911 0.000) 0.911 1.649 ( 0.000 -1.950 0.000) 1.950 1.651 ( 0.000 0.922 0.000) 0.922 1.751 ( 0.000 0.320 0.000) 0.320 1.770 ( 0.000 6.256 0.000) 6.256 1.802 ( 0.000 2.431 0.000) 2.431 1.863 ( 0.000 0.541 0.000) 0.541 1.867 ( 0.000 -1.198 0.000) 1.198 1.964 ( 0.000 -3.602 0.000) 3.602 1.967 ( 0.000 -2.571 0.000) 2.571 2.036 ( 0.000 1.849 0.000) 1.849 2.043 ( 0.000 2.545 0.000) 2.545 2.141 ( 0.000 2.373 0.000) 2.373 2.186 ( 0.000 2.487 0.000) 2.487 2.258 ( 0.000 -2.422 0.000) 2.422 2.269 ( 0.000 -4.657 0.000) 4.657 2.302 ( 0.000 1.365 0.000) 1.365 2.329 ( 0.000 -4.223 0.000) 4.223 2.332 ( 0.000 4.123 0.000) 4.123 2.391 ( 0.000 -0.308 0.000) 0.308 2.399 ( 0.000 -1.125 0.000) 1.125 2.460 ( 0.000 -0.150 0.000) 0.150 2.462 ( 0.000 4.191 0.000) 4.191 2.565 ( 0.000 2.624 0.000) 2.624 2.586 ( 0.000 -3.245 0.000) 3.245 2.727 ( 0.000 -0.076 0.000) 0.076 2.778 ( 0.000 -4.348 0.000) 4.348 2.846 ( 0.000 0.816 0.000) 0.816 2.879 ( 0.000 0.275 0.000) 0.275 2.927 ( 0.000 0.999 0.000) 0.999 2.940 ( 0.000 1.148 0.000) 1.148 3.098 ( 0.000 1.127 0.000) 1.127 3.117 ( 0.000 0.922 0.000) 0.922 3.234 ( 0.000 -0.057 0.000) 0.057 3.241 ( 0.000 -1.089 0.000) 1.089 3.323 ( 0.000 1.044 0.000) 1.044 3.333 ( 0.000 0.073 0.000) 0.073 3.449 ( 0.000 0.181 0.000) 0.181 3.467 ( 0.000 1.766 0.000) 1.766 3.542 ( 0.000 -1.643 0.000) 1.643 3.551 ( 0.000 -0.371 0.000) 0.371 3.738 ( 0.000 0.759 0.000) 0.759 3.751 ( 0.000 0.329 0.000) 0.329 3.950 ( 0.000 -0.388 0.000) 0.388 3.968 ( 0.000 -1.043 0.000) 1.043 4.391 ( 0.000 0.838 0.000) 0.838 4.435 ( 0.000 -0.935 0.000) 0.935 4.632 ( 0.000 0.186 0.000) 0.186 4.663 ( 0.000 -1.348 0.000) 1.348 4.750 ( 0.000 0.051 0.000) 0.051 4.751 ( 0.000 0.041 0.000) 0.041 4.811 ( 0.000 1.821 0.000) 1.821 4.862 ( 0.000 -0.627 0.000) 0.627 4.999 ( 0.000 0.827 0.000) 0.827 5.043 ( 0.000 -0.863 0.000) 0.863 5.400 ( 0.000 1.791 0.000) 1.791 5.498 ( 0.000 -2.104 0.000) 2.104 5.498 ( 0.000 0.429 0.000) 0.429 5.521 ( 0.000 -0.485 0.000) 0.485 6.778 ( 0.000 1.469 0.000) 1.469 6.835 ( 0.000 -0.982 0.000) 0.982 6.863 ( 0.000 1.292 0.000) 1.292 6.911 ( 0.000 1.271 0.000) 1.271 6.951 ( 0.000 -1.269 0.000) 1.269 7.002 ( 0.000 -1.564 0.000) 1.564 7.060 ( 0.000 1.019 0.000) 1.019 7.101 ( 0.000 -0.714 0.000) 0.714 7.910 ( 0.000 1.196 0.000) 1.196 7.974 ( 0.000 -1.369 0.000) 1.369 ======================= Grid point 8 (6/66) ======================= q-point: ( 0.14 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 8.625 4.582 1.051) 9.823 0.375 ( 6.220 3.747 -1.554) 7.426 0.437 ( 3.111 4.796 2.772) 6.353 0.720 ( 9.407 10.128 12.668) 18.750 0.775 ( 2.498 -3.586 0.644) 4.417 0.817 ( -0.476 -1.517 -1.759) 2.371 0.845 ( -0.843 -2.437 2.408) 3.529 0.934 ( 3.283 -2.564 2.455) 4.835 1.066 ( 2.894 -2.703 0.177) 3.964 1.106 ( -0.571 0.403 0.264) 0.747 1.182 ( 1.215 -1.254 -2.905) 3.389 1.238 ( -0.960 1.308 1.019) 1.916 1.334 ( -1.599 -5.743 -1.109) 6.063 1.355 ( 0.494 -5.254 -0.611) 5.312 1.500 ( -0.997 0.559 -3.090) 3.295 1.508 ( -3.745 0.738 -6.812) 7.808 1.658 ( -1.875 1.515 0.461) 2.454 1.667 ( -2.689 0.859 0.714) 2.912 1.719 ( -0.664 0.149 -0.258) 0.728 1.775 ( -1.881 1.544 2.990) 3.855 1.813 ( 0.079 1.976 2.481) 3.172 1.863 ( 0.843 2.557 1.548) 3.106 1.897 ( -0.655 -0.887 0.526) 1.221 1.944 ( -1.792 -4.659 -0.388) 5.007 2.000 ( 2.567 -1.145 -2.261) 3.607 2.034 ( 2.239 0.170 3.020) 3.763 2.081 ( 1.523 2.083 -0.423) 2.615 2.129 ( -1.796 1.557 2.005) 3.110 2.155 ( -2.075 2.126 -2.321) 3.770 2.214 ( -1.688 -1.741 -2.306) 3.346 2.271 ( -1.766 -1.421 1.800) 2.894 2.288 ( 0.759 0.251 -3.348) 3.443 2.309 ( 0.715 -3.216 -3.661) 4.925 2.340 ( -1.718 1.246 1.088) 2.384 2.375 ( -2.210 2.440 0.503) 3.330 2.386 ( -0.474 -1.419 -1.790) 2.333 2.439 ( -1.776 3.127 1.986) 4.108 2.468 ( 1.645 0.615 -2.154) 2.779 2.583 ( 1.572 1.137 -0.687) 2.058 2.596 ( 0.751 -3.183 -0.880) 3.387 2.668 ( -2.446 4.435 -0.472) 5.087 2.796 ( -2.837 0.523 -0.021) 2.885 2.837 ( 1.493 -2.136 0.902) 2.758 2.843 ( -2.196 1.501 -0.900) 2.808 2.919 ( -0.335 0.848 -2.227) 2.406 2.959 ( 1.663 0.608 -0.934) 2.002 3.038 ( -0.898 3.145 -1.955) 3.811 3.126 ( -3.212 2.885 -3.211) 5.380 3.152 ( 1.481 -0.590 -0.993) 1.878 3.186 ( -2.489 0.108 -0.329) 2.513 3.292 ( 1.063 0.612 -1.919) 2.277 3.331 ( -0.880 -0.105 0.047) 0.888 3.456 ( 0.635 1.343 0.224) 1.502 3.482 ( 0.192 1.800 1.186) 2.164 3.549 ( 0.808 -0.149 -1.453) 1.669 3.602 ( 1.452 -2.898 0.636) 3.303 3.699 ( -0.696 2.428 -2.275) 3.399 3.764 ( -1.164 -0.518 3.362) 3.596 3.930 ( -1.328 0.012 -0.516) 1.425 3.965 ( 0.246 -1.426 -1.039) 1.781 4.451 ( 1.892 -0.061 3.276) 3.784 4.480 ( 1.052 -1.737 6.783) 7.081 4.625 ( -0.920 0.348 -0.115) 0.991 4.657 ( -0.462 -1.498 -0.016) 1.567 4.752 ( -0.051 0.486 0.385) 0.622 4.828 ( -0.338 -2.374 -0.035) 2.398 4.841 ( 2.678 1.653 1.190) 3.364 4.944 ( 7.653 -5.415 0.494) 9.388 5.024 ( 3.926 -0.106 -0.146) 3.931 5.040 ( 0.212 -1.113 0.970) 1.491 5.397 ( -0.232 1.692 -0.115) 1.712 5.435 ( -0.708 2.077 -3.162) 3.849 5.512 ( -0.087 -0.335 -0.714) 0.793 5.557 ( -1.874 -3.632 5.694) 7.009 6.786 ( 0.135 1.278 1.012) 1.636 6.820 ( -1.185 0.144 -1.345) 1.798 6.867 ( -0.510 3.003 -0.587) 3.102 6.906 ( -0.551 0.336 2.100) 2.197 6.932 ( -2.029 -0.257 0.764) 2.183 7.016 ( -0.882 1.906 -4.221) 4.715 7.020 ( 0.748 -0.847 -0.978) 1.495 7.061 ( 0.731 -0.011 -0.753) 1.050 7.923 ( 1.053 0.849 0.820) 1.582 7.970 ( -0.337 -1.020 -0.285) 1.111 ======================= Grid point 9 (7/66) ======================= q-point: ( 0.29 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.338 ( 0.148 0.778 -7.034) 7.078 0.463 ( 7.632 -2.115 0.640) 7.945 0.611 ( 6.627 2.834 8.185) 10.906 0.768 ( 1.518 -1.494 -1.004) 2.355 0.799 ( 3.145 -2.595 -0.867) 4.169 0.871 ( 1.773 -3.013 3.896) 5.235 0.988 ( -0.394 -2.726 0.173) 2.760 1.042 ( 4.842 -2.941 4.003) 6.937 1.088 ( 5.020 0.946 4.944) 7.109 1.146 ( 1.603 -1.115 1.728) 2.608 1.173 ( -1.679 -0.896 0.161) 1.910 1.222 ( 0.428 3.403 -2.280) 4.118 1.300 ( -0.513 -0.278 -1.918) 2.005 1.345 ( -0.123 -3.781 -1.114) 3.944 1.421 ( 0.771 2.686 -2.254) 3.590 1.494 ( 1.215 0.876 0.101) 1.502 1.575 ( -5.538 -0.040 -0.715) 5.585 1.636 ( -1.675 0.928 -1.210) 2.265 1.709 ( -2.857 2.337 1.731) 4.077 1.766 ( -2.020 0.036 3.009) 3.624 1.823 ( -2.412 0.736 1.048) 2.731 1.872 ( 1.467 0.747 -1.695) 2.363 1.893 ( -0.534 -0.495 2.354) 2.464 1.919 ( -0.652 -2.139 -0.709) 2.346 2.022 ( 0.853 1.991 0.071) 2.167 2.054 ( -0.520 -2.401 -3.625) 4.379 2.068 ( -1.250 2.949 -3.024) 4.405 2.104 ( -1.710 1.900 -0.059) 2.557 2.137 ( -0.565 1.429 1.756) 2.333 2.190 ( 1.046 -0.161 -0.526) 1.182 2.260 ( -2.108 -0.561 1.359) 2.570 2.271 ( 0.023 0.298 -0.246) 0.387 2.292 ( 0.874 0.619 -2.006) 2.274 2.326 ( 0.920 -2.244 -0.945) 2.603 2.349 ( -0.804 2.783 -0.023) 2.897 2.362 ( -0.778 -2.005 -0.745) 2.276 2.432 ( -0.728 1.401 -0.673) 1.717 2.465 ( 0.895 -0.885 -0.982) 1.596 2.564 ( -1.070 0.504 -2.349) 2.630 2.617 ( 2.324 -1.817 -0.629) 3.016 2.671 ( -0.110 -0.383 2.316) 2.350 2.747 ( -3.305 0.444 -0.243) 3.344 2.812 ( 0.489 3.469 0.327) 3.519 2.862 ( 0.342 -0.237 0.954) 1.041 2.910 ( 0.916 -0.904 -0.774) 1.502 2.995 ( 2.297 -1.579 -0.570) 2.846 2.998 ( -1.926 3.664 -1.601) 4.438 3.073 ( -1.334 0.859 -1.575) 2.235 3.145 ( -0.126 -0.369 -0.823) 0.911 3.175 ( -0.767 -2.197 -0.011) 2.327 3.288 ( 0.336 0.559 -1.269) 1.426 3.312 ( -0.824 -0.162 -0.570) 1.015 3.467 ( 0.807 1.614 -0.258) 1.823 3.494 ( -0.143 1.104 0.888) 1.423 3.551 ( 1.288 0.944 -1.708) 2.338 3.592 ( -2.791 -0.161 1.092) 3.002 3.698 ( 2.420 1.639 -1.779) 3.421 3.766 ( -2.183 -0.851 2.953) 3.769 3.920 ( 0.185 -0.302 0.211) 0.412 3.959 ( 0.221 -1.885 -1.010) 2.149 4.520 ( 2.473 0.654 3.385) 4.243 4.564 ( 2.133 -1.336 4.186) 4.884 4.611 ( -0.264 0.538 0.475) 0.764 4.649 ( -0.171 -1.553 -0.141) 1.569 4.753 ( -0.831 0.417 1.098) 1.439 4.800 ( -2.222 -0.031 -0.606) 2.303 4.866 ( 0.492 0.822 -0.534) 1.097 4.965 ( 0.813 -2.340 -4.897) 5.488 5.096 ( 1.934 -1.105 2.548) 3.385 5.123 ( 5.947 -1.036 1.681) 6.266 5.394 ( -0.073 1.593 0.106) 1.598 5.414 ( 0.125 1.888 -0.798) 2.054 5.496 ( -0.543 -0.482 -1.454) 1.625 5.558 ( -2.219 -3.608 2.470) 4.903 6.766 ( -2.155 3.614 -1.788) 4.572 6.799 ( -0.670 1.531 1.701) 2.385 6.862 ( 0.980 1.719 -1.129) 2.278 6.903 ( -1.852 0.602 1.366) 2.379 6.936 ( 0.732 -0.445 1.390) 1.632 6.977 ( 0.135 1.791 -2.091) 2.757 7.046 ( 1.498 -3.255 0.427) 3.608 7.071 ( 1.310 -1.903 -0.885) 2.474 7.953 ( 1.316 0.074 1.008) 1.660 7.960 ( -0.459 -0.201 -0.388) 0.634 ======================= Grid point 10 (8/66) ======================= q-point: ( 0.43 0.25 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.274 ( -1.011 0.819 -3.000) 3.270 0.531 ( 1.125 -9.848 -0.394) 9.919 0.752 ( 4.932 -0.304 4.022) 6.371 0.842 ( 0.306 -0.752 1.111) 1.376 0.867 ( 6.416 -1.829 2.876) 7.265 0.903 ( -1.879 3.299 -3.529) 5.184 0.968 ( 1.856 -2.634 3.433) 4.708 1.037 ( -3.231 -1.830 -3.796) 5.310 1.086 ( -1.417 0.270 -2.695) 3.056 1.181 ( -1.370 -2.200 -0.282) 2.607 1.202 ( 0.919 1.948 0.605) 2.237 1.257 ( 3.380 -1.506 4.074) 5.503 1.321 ( 3.456 -3.147 2.032) 5.096 1.363 ( 2.619 -0.272 1.552) 3.056 1.407 ( -3.065 -0.417 -2.699) 4.105 1.474 ( -4.064 -1.662 -4.058) 5.978 1.568 ( 3.892 5.514 3.117) 7.434 1.599 ( -1.175 2.132 0.530) 2.491 1.659 ( -3.471 4.223 0.677) 5.508 1.771 ( 0.003 -3.026 -0.688) 3.103 1.806 ( -0.870 1.190 2.631) 3.016 1.870 ( -0.243 0.218 0.699) 0.771 1.892 ( -0.561 -1.660 0.546) 1.835 1.933 ( 0.463 -3.126 1.069) 3.336 1.983 ( -1.368 2.383 -3.349) 4.332 2.002 ( -0.925 1.902 -3.575) 4.154 2.058 ( 1.330 2.288 0.104) 2.649 2.083 ( -1.676 2.541 0.294) 3.058 2.115 ( -0.820 2.708 -1.708) 3.306 2.204 ( 0.189 2.794 0.635) 2.871 2.252 ( 0.207 1.004 0.059) 1.027 2.284 ( -0.581 0.649 2.955) 3.081 2.296 ( 0.603 1.154 -1.458) 1.955 2.327 ( 0.531 -4.855 -0.989) 4.983 2.348 ( 1.479 0.618 -1.169) 1.983 2.360 ( -0.566 -1.424 1.408) 2.081 2.414 ( -0.380 -0.643 -1.009) 1.256 2.479 ( 0.453 -0.394 0.206) 0.635 2.522 ( -0.770 -2.143 -1.111) 2.534 2.649 ( 1.860 -1.872 -0.356) 2.663 2.676 ( -1.088 -1.183 0.250) 1.627 2.712 ( -0.916 -2.768 0.686) 2.995 2.850 ( 2.490 4.277 1.219) 5.097 2.877 ( 0.386 0.749 0.777) 1.146 2.904 ( -1.445 1.440 -0.421) 2.083 2.958 ( -0.380 1.430 -1.114) 1.852 3.008 ( -0.598 1.870 -1.057) 2.230 3.059 ( 1.175 -2.186 -0.302) 2.500 3.124 ( -2.100 -2.896 0.112) 3.579 3.161 ( -0.025 -1.609 -0.474) 1.677 3.280 ( -0.231 1.011 -0.379) 1.104 3.302 ( -0.024 0.071 -0.339) 0.347 3.479 ( 1.108 1.151 -0.522) 1.681 3.492 ( -0.888 0.938 0.525) 1.394 3.555 ( 1.439 1.899 -2.555) 3.493 3.563 ( -2.258 1.125 2.550) 3.588 3.722 ( 2.027 0.870 -1.529) 2.684 3.757 ( -1.560 -0.595 1.983) 2.593 3.926 ( 0.139 -0.995 0.131) 1.014 3.954 ( 0.022 -1.939 -0.411) 1.982 4.573 ( 0.854 0.235 0.951) 1.300 4.588 ( -0.050 -0.595 0.291) 0.664 4.655 ( 1.539 0.139 1.429) 2.105 4.667 ( 2.195 -0.793 2.143) 3.169 4.734 ( -2.151 0.284 -0.533) 2.234 4.757 ( -1.833 0.407 -0.537) 1.953 4.864 ( 0.044 -0.056 -0.486) 0.491 4.937 ( 0.457 -2.073 -2.465) 3.253 5.126 ( 0.268 2.168 0.694) 2.292 5.209 ( 2.421 -1.359 0.932) 2.929 5.395 ( 0.022 1.672 0.086) 1.674 5.415 ( 0.231 1.719 0.021) 1.734 5.474 ( -0.448 -0.959 -0.883) 1.378 5.545 ( -0.873 -3.800 0.559) 3.939 6.728 ( -0.820 4.902 -0.726) 5.023 6.803 ( -0.401 1.458 0.826) 1.723 6.868 ( 0.596 1.289 -0.668) 1.569 6.891 ( -0.744 1.159 0.639) 1.518 6.954 ( 0.290 -0.116 0.572) 0.652 6.969 ( 0.165 0.231 -0.547) 0.616 7.071 ( 0.721 -3.476 0.499) 3.584 7.081 ( 0.576 -3.111 -0.580) 3.217 7.951 ( -0.217 0.490 -0.185) 0.567 7.977 ( 0.587 -0.542 0.446) 0.915 ======================= Grid point 14 (9/66) ======================= q-point: ( 0.00 -0.50 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( 0.000 -5.254 0.000) 5.254 0.357 ( 0.000 5.254 0.000) 5.254 0.574 ( 0.000 -12.236 0.000) 12.236 0.574 ( 0.000 12.236 0.000) 12.236 0.797 ( 0.000 -1.895 0.000) 1.895 0.797 ( 0.000 1.895 0.000) 1.895 0.869 ( 0.000 -2.450 0.000) 2.450 0.869 ( 0.000 2.450 0.000) 2.450 1.064 ( 0.000 -9.758 0.000) 9.758 1.064 ( 0.000 9.758 0.000) 9.758 1.172 ( 0.000 -5.491 0.000) 5.491 1.172 ( 0.000 5.491 0.000) 5.491 1.275 ( 0.000 -2.353 0.000) 2.353 1.275 ( 0.000 2.353 0.000) 2.353 1.576 ( 0.000 -1.969 0.000) 1.969 1.576 ( 0.000 1.969 0.000) 1.969 1.653 ( 0.000 -0.838 0.000) 0.838 1.653 ( 0.000 0.838 0.000) 0.838 1.778 ( 0.000 -2.342 0.000) 2.342 1.778 ( 0.000 2.342 0.000) 2.342 1.862 ( 0.000 -3.668 0.000) 3.668 1.862 ( 0.000 3.668 0.000) 3.668 1.883 ( 0.000 -1.169 0.000) 1.169 1.883 ( 0.000 1.169 0.000) 1.169 2.019 ( 0.000 -4.964 0.000) 4.964 2.019 ( 0.000 4.964 0.000) 4.964 2.106 ( 0.000 -3.645 0.000) 3.645 2.106 ( 0.000 3.645 0.000) 3.645 2.220 ( 0.000 -0.929 0.000) 0.929 2.220 ( 0.000 0.929 0.000) 0.929 2.250 ( 0.000 -1.989 0.000) 1.989 2.250 ( 0.000 1.989 0.000) 1.989 2.356 ( 0.000 -2.752 0.000) 2.752 2.356 ( 0.000 2.752 0.000) 2.752 2.388 ( 0.000 -0.654 0.000) 0.654 2.388 ( 0.000 0.654 0.000) 0.654 2.498 ( 0.000 -4.281 0.000) 4.281 2.498 ( 0.000 4.281 0.000) 4.281 2.554 ( 0.000 -3.942 0.000) 3.942 2.554 ( 0.000 3.942 0.000) 3.942 2.729 ( 0.000 -0.381 0.000) 0.381 2.729 ( 0.000 0.381 0.000) 0.381 2.866 ( 0.000 -1.105 0.000) 1.105 2.866 ( 0.000 1.105 0.000) 1.105 2.949 ( 0.000 -0.509 0.000) 0.509 2.949 ( 0.000 0.509 0.000) 0.509 3.123 ( 0.000 -0.849 0.000) 0.849 3.123 ( 0.000 0.849 0.000) 0.849 3.223 ( 0.000 -0.142 0.000) 0.142 3.223 ( 0.000 0.142 0.000) 0.142 3.341 ( 0.000 -0.014 0.000) 0.014 3.341 ( 0.000 0.014 0.000) 0.014 3.466 ( 0.000 -1.574 0.000) 1.574 3.466 ( 0.000 1.574 0.000) 1.574 3.535 ( 0.000 -1.007 0.000) 1.007 3.535 ( 0.000 1.007 0.000) 1.007 3.752 ( 0.000 -0.376 0.000) 0.376 3.752 ( 0.000 0.376 0.000) 0.376 3.950 ( 0.000 -0.554 0.000) 0.554 3.950 ( 0.000 0.554 0.000) 0.554 4.413 ( 0.000 -1.232 0.000) 1.232 4.413 ( 0.000 1.232 0.000) 1.232 4.641 ( 0.000 -0.761 0.000) 0.761 4.641 ( 0.000 0.761 0.000) 0.761 4.751 ( 0.000 -0.006 0.000) 0.006 4.751 ( 0.000 0.006 0.000) 0.006 4.843 ( 0.000 -1.309 0.000) 1.309 4.843 ( 0.000 1.309 0.000) 1.309 5.021 ( 0.000 -1.290 0.000) 1.290 5.021 ( 0.000 1.290 0.000) 1.290 5.447 ( 0.000 -2.770 0.000) 2.770 5.447 ( 0.000 2.770 0.000) 2.770 5.509 ( 0.000 -0.628 0.000) 0.628 5.509 ( 0.000 0.628 0.000) 0.628 6.810 ( 0.000 -1.517 0.000) 1.517 6.810 ( 0.000 1.517 0.000) 1.517 6.899 ( 0.000 -2.026 0.000) 2.026 6.899 ( 0.000 2.026 0.000) 2.026 6.964 ( 0.000 -2.087 0.000) 2.087 6.964 ( 0.000 2.087 0.000) 2.087 7.082 ( 0.000 -1.127 0.000) 1.127 7.082 ( 0.000 1.127 0.000) 1.127 7.941 ( 0.000 -1.831 0.000) 1.831 7.941 ( 0.000 1.831 0.000) 1.831 ======================= Grid point 16 (10/66) ======================= q-point: ( 0.14 -0.50 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 4.893 -2.812 -4.457) 7.191 0.371 ( 4.893 2.812 -4.457) 7.191 0.619 ( 2.914 -10.506 1.932) 11.072 0.619 ( 2.914 10.506 1.932) 11.072 0.776 ( -3.253 -1.712 2.708) 4.565 0.776 ( -3.253 1.712 2.708) 4.565 0.911 ( 3.336 -1.530 3.561) 5.113 0.911 ( 3.336 1.530 3.561) 5.113 1.117 ( 2.809 -5.366 0.213) 6.061 1.117 ( 2.809 5.366 0.213) 6.061 1.162 ( 0.833 -4.959 0.122) 5.030 1.162 ( 0.833 4.959 0.122) 5.030 1.278 ( 0.684 -2.853 0.193) 2.940 1.278 ( 0.684 2.853 0.193) 2.940 1.514 ( -1.912 -0.426 -4.316) 4.740 1.514 ( -1.912 0.426 -4.316) 4.740 1.674 ( -3.058 -0.128 1.133) 3.263 1.674 ( -3.058 0.128 1.133) 3.263 1.754 ( 0.469 -2.973 -0.684) 3.087 1.754 ( 0.469 2.973 -0.684) 3.087 1.862 ( -0.064 -2.898 0.629) 2.966 1.862 ( -0.064 2.898 0.629) 2.966 1.896 ( -1.124 -1.293 2.468) 3.005 1.896 ( -1.124 1.293 2.468) 3.005 2.020 ( 0.685 -2.774 -0.306) 2.874 2.020 ( 0.685 2.774 -0.306) 2.874 2.119 ( 0.507 -2.019 1.469) 2.548 2.119 ( 0.507 2.019 1.469) 2.548 2.193 ( -1.401 -1.438 -2.565) 3.257 2.193 ( -1.401 1.438 -2.565) 3.257 2.243 ( -0.177 -1.161 -0.336) 1.221 2.243 ( -0.177 1.161 -0.336) 1.221 2.339 ( -0.248 -2.775 -3.097) 4.166 2.339 ( -0.248 2.775 -3.097) 4.166 2.377 ( -0.718 -1.804 0.331) 1.970 2.377 ( -0.718 1.804 0.331) 1.970 2.504 ( -1.788 -4.574 0.423) 4.929 2.504 ( -1.788 4.574 0.423) 4.929 2.548 ( 0.672 -4.214 0.342) 4.281 2.548 ( 0.672 4.214 0.342) 4.281 2.740 ( -0.325 -3.463 0.537) 3.520 2.740 ( -0.325 3.463 0.537) 3.520 2.852 ( -0.366 -1.050 -0.591) 1.259 2.852 ( -0.366 1.050 -0.591) 1.259 2.945 ( -0.186 -1.590 -1.894) 2.480 2.945 ( -0.186 1.590 -1.894) 2.480 3.104 ( -0.119 -3.426 -1.844) 3.892 3.104 ( -0.119 3.426 -1.844) 3.892 3.176 ( -3.005 -1.115 -1.580) 3.573 3.176 ( -3.005 1.115 -1.580) 3.573 3.316 ( -0.468 -1.531 -1.389) 2.119 3.316 ( -0.468 1.531 -1.389) 2.119 3.493 ( 0.813 -1.455 0.294) 1.693 3.493 ( 0.813 1.455 0.294) 1.693 3.553 ( 1.414 -1.407 0.867) 2.175 3.553 ( 1.414 1.407 0.867) 2.175 3.743 ( -1.173 -1.717 0.779) 2.220 3.743 ( -1.173 1.717 0.779) 2.220 3.938 ( -0.627 -0.972 -0.712) 1.358 3.938 ( -0.627 0.972 -0.712) 1.358 4.456 ( 2.020 -0.691 4.480) 4.963 4.456 ( 2.020 0.691 4.480) 4.963 4.634 ( -0.644 -0.774 -0.218) 1.030 4.634 ( -0.644 0.774 -0.218) 1.030 4.773 ( 0.633 -1.829 0.632) 2.036 4.773 ( 0.633 1.829 0.632) 2.036 4.888 ( 3.654 -2.120 1.140) 4.375 4.888 ( 3.654 2.120 1.140) 4.375 5.026 ( 1.910 -0.403 -0.466) 2.007 5.026 ( 1.910 0.403 -0.466) 2.007 5.436 ( -0.149 -1.692 -1.309) 2.144 5.436 ( -0.149 1.692 -1.309) 2.144 5.513 ( -0.580 -0.856 0.915) 1.381 5.513 ( -0.580 0.856 0.915) 1.381 6.810 ( -0.079 -0.933 0.250) 0.969 6.810 ( -0.079 0.933 0.250) 0.969 6.908 ( 0.148 -0.605 1.268) 1.412 6.908 ( 0.148 0.605 1.268) 1.412 6.955 ( -0.636 -3.208 -0.406) 3.295 6.955 ( -0.636 3.208 -0.406) 3.295 7.055 ( -1.190 -0.736 -2.034) 2.469 7.055 ( -1.190 0.736 -2.034) 2.469 7.945 ( 0.368 -1.330 0.259) 1.404 7.945 ( 0.368 1.330 0.259) 1.404 ======================= Grid point 18 (11/66) ======================= q-point: ( 0.29 -0.50 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( 1.428 -4.218 -5.001) 6.696 0.388 ( 1.428 4.218 -5.001) 6.696 0.711 ( 4.581 -6.310 3.420) 8.515 0.711 ( 4.581 6.310 3.420) 8.515 0.782 ( 2.066 -3.087 3.306) 4.973 0.782 ( 2.066 3.087 3.306) 4.973 0.990 ( 2.210 -2.264 -0.023) 3.164 0.990 ( 2.210 2.264 -0.023) 3.164 1.120 ( -0.056 -1.336 0.960) 1.646 1.120 ( -0.056 1.336 0.960) 1.646 1.210 ( 1.249 -4.853 2.427) 5.568 1.210 ( 1.249 4.853 2.427) 5.568 1.293 ( 0.717 -3.069 -2.073) 3.772 1.293 ( 0.717 3.069 -2.073) 3.772 1.480 ( 0.979 -2.521 -1.213) 2.964 1.480 ( 0.979 2.521 -1.213) 2.964 1.613 ( -2.722 -3.066 0.994) 4.218 1.613 ( -2.722 3.066 0.994) 4.218 1.749 ( -1.699 -2.063 0.054) 2.673 1.749 ( -1.699 2.063 0.054) 2.673 1.858 ( -1.923 -2.697 0.920) 3.438 1.858 ( -1.923 2.697 0.920) 3.438 1.892 ( -0.857 -0.894 0.796) 1.472 1.892 ( -0.857 0.894 0.796) 1.472 2.029 ( 1.020 -0.950 -0.877) 1.646 2.029 ( 1.020 0.950 -0.877) 1.646 2.116 ( -1.032 -1.185 -2.805) 3.216 2.116 ( -1.032 1.185 -2.805) 3.216 2.182 ( 1.526 -1.320 2.106) 2.917 2.182 ( 1.526 1.320 2.106) 2.917 2.241 ( -0.176 -1.137 -0.359) 1.205 2.241 ( -0.176 1.137 -0.359) 1.205 2.316 ( 0.933 -1.338 -1.224) 2.040 2.316 ( 0.933 1.338 -1.224) 2.040 2.365 ( -0.410 -3.714 -1.154) 3.911 2.365 ( -0.410 3.714 -1.154) 3.911 2.467 ( -1.982 -5.545 -0.972) 5.968 2.467 ( -1.982 5.545 -0.972) 5.968 2.548 ( -1.205 -3.324 0.246) 3.545 2.548 ( -1.205 3.324 0.246) 3.545 2.712 ( -2.374 -2.905 -0.120) 3.753 2.712 ( -2.374 2.905 -0.120) 3.753 2.859 ( 1.621 -0.738 -0.394) 1.824 2.859 ( 1.621 0.738 -0.394) 1.824 2.937 ( 1.335 -3.407 -0.628) 3.713 2.937 ( 1.335 3.407 -0.628) 3.713 3.094 ( -0.495 -4.451 -1.071) 4.605 3.094 ( -0.495 4.451 -1.071) 4.605 3.119 ( -2.089 -1.789 -1.480) 3.123 3.119 ( -2.089 1.789 -1.480) 3.123 3.303 ( -0.322 -0.842 -0.407) 0.989 3.303 ( -0.322 0.842 -0.407) 0.989 3.498 ( -0.030 -0.858 -0.003) 0.859 3.498 ( -0.030 0.858 -0.003) 0.859 3.575 ( 0.534 -1.363 0.301) 1.494 3.575 ( 0.534 1.363 0.301) 1.494 3.738 ( -0.387 -1.989 0.851) 2.198 3.738 ( -0.387 1.989 0.851) 2.198 3.925 ( -0.123 -1.076 -0.656) 1.266 3.925 ( -0.123 1.076 -0.656) 1.266 4.538 ( 2.459 -1.162 3.912) 4.764 4.538 ( 2.459 1.162 3.912) 4.764 4.624 ( -0.067 -0.914 0.148) 0.928 4.624 ( -0.067 0.914 0.148) 0.928 4.773 ( -1.376 -1.637 0.957) 2.343 4.773 ( -1.376 1.637 0.957) 2.343 4.911 ( 0.412 -2.885 -2.632) 3.926 4.911 ( 0.412 2.885 -2.632) 3.926 5.100 ( 4.758 -1.061 2.042) 5.286 5.100 ( 4.758 1.061 2.042) 5.286 5.428 ( 0.364 -1.035 -0.653) 1.277 5.428 ( 0.364 1.035 -0.653) 1.277 5.500 ( -1.439 -1.575 -0.109) 2.136 5.500 ( -1.439 1.575 -0.109) 2.136 6.811 ( -0.471 -0.992 0.720) 1.313 6.811 ( -0.471 0.992 0.720) 1.313 6.907 ( -1.159 -1.320 0.290) 1.781 6.907 ( -1.159 1.320 0.290) 1.781 6.955 ( 1.055 -4.016 0.037) 4.152 6.955 ( 1.055 4.016 0.037) 4.152 7.028 ( -0.149 -2.189 -1.322) 2.562 7.028 ( -0.149 2.189 -1.322) 2.562 7.956 ( 0.457 -0.195 0.311) 0.586 7.956 ( 0.457 0.195 0.311) 0.586 ======================= Grid point 20 (12/66) ======================= q-point: ( 0.43 -0.50 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( -0.676 -7.296 -1.889) 7.567 0.352 ( -0.676 7.296 -1.889) 7.567 0.769 ( 0.851 -2.907 1.970) 3.613 0.769 ( 0.851 2.907 1.970) 3.613 0.895 ( 2.547 -3.376 2.567) 4.947 0.895 ( 2.547 3.376 2.567) 4.947 0.998 ( 3.516 -3.556 -1.710) 5.284 0.998 ( 3.516 3.556 -1.710) 5.284 1.112 ( -2.536 -2.798 -1.507) 4.066 1.112 ( -2.536 2.798 -1.507) 4.066 1.233 ( -0.139 -1.133 1.746) 2.086 1.233 ( -0.139 1.133 1.746) 2.086 1.316 ( 3.414 -2.609 1.923) 4.707 1.316 ( 3.414 2.609 1.923) 4.707 1.440 ( -3.101 -2.002 -3.779) 5.283 1.440 ( -3.101 2.002 -3.779) 5.283 1.630 ( 1.146 -0.648 0.605) 1.449 1.630 ( 1.146 0.648 0.605) 1.449 1.727 ( -2.036 -2.212 2.945) 4.209 1.727 ( -2.036 2.212 2.945) 4.209 1.841 ( -0.228 -3.866 0.754) 3.946 1.841 ( -0.228 3.866 0.754) 3.946 1.880 ( -0.657 -0.658 0.016) 0.930 1.880 ( -0.657 0.658 0.016) 0.930 2.024 ( -0.195 -0.728 -3.225) 3.312 2.024 ( -0.195 0.728 -3.225) 3.312 2.078 ( -0.221 -0.931 -0.709) 1.191 2.078 ( -0.221 0.931 -0.709) 1.191 2.211 ( 0.547 -5.246 -0.721) 5.324 2.211 ( 0.547 5.246 -0.721) 5.324 2.253 ( 0.283 -1.162 2.731) 2.981 2.253 ( 0.283 1.162 2.731) 2.981 2.332 ( 0.616 -2.907 -0.848) 3.090 2.332 ( 0.616 2.907 -0.848) 3.090 2.349 ( -0.113 -2.181 -0.022) 2.184 2.349 ( -0.113 2.181 -0.022) 2.184 2.431 ( -0.597 -5.837 -1.213) 5.992 2.431 ( -0.597 5.837 -1.213) 5.992 2.538 ( -0.297 -5.182 0.431) 5.208 2.538 ( -0.297 5.182 0.431) 5.208 2.679 ( -1.139 -1.051 -0.386) 1.597 2.679 ( -1.139 1.051 -0.386) 1.597 2.884 ( 1.020 -0.667 0.128) 1.226 2.884 ( 1.020 0.667 0.128) 1.226 2.965 ( 1.703 -3.916 0.422) 4.291 2.965 ( 1.703 3.916 0.422) 4.291 3.052 ( -2.407 -4.018 -0.628) 4.726 3.052 ( -2.407 4.018 -0.628) 4.726 3.093 ( -0.208 -4.696 -0.939) 4.793 3.093 ( -0.208 4.696 -0.939) 4.793 3.296 ( -0.211 -0.557 -0.066) 0.600 3.296 ( -0.211 0.557 -0.066) 0.600 3.497 ( -0.071 -0.436 0.020) 0.442 3.497 ( -0.071 0.436 0.020) 0.442 3.581 ( 0.159 -0.152 0.026) 0.221 3.581 ( 0.159 0.152 0.026) 0.221 3.741 ( -0.044 -0.951 0.368) 1.021 3.741 ( -0.044 0.951 0.368) 1.021 3.920 ( 0.011 -0.845 -0.272) 0.888 3.920 ( 0.011 0.845 -0.272) 0.888 4.578 ( 0.234 -0.335 0.411) 0.579 4.578 ( 0.234 0.335 0.411) 0.579 4.657 ( 2.083 -0.181 1.881) 2.813 4.657 ( 2.083 0.181 1.881) 2.813 4.748 ( -2.047 -0.963 0.094) 2.264 4.748 ( -2.047 0.963 0.094) 2.264 4.889 ( 0.133 -2.350 -1.802) 2.964 4.889 ( 0.133 2.350 -1.802) 2.964 5.172 ( 1.851 -2.266 0.974) 3.084 5.172 ( 1.851 2.266 0.974) 3.084 5.435 ( 0.664 -1.465 0.117) 1.613 5.435 ( 0.664 1.465 0.117) 1.613 5.472 ( -1.194 -2.614 -0.541) 2.925 5.472 ( -1.194 2.614 -0.541) 2.925 6.809 ( -0.374 -1.939 0.411) 2.017 6.809 ( -0.374 1.939 0.411) 2.017 6.895 ( -0.281 -1.045 -0.092) 1.086 6.895 ( -0.281 1.045 -0.092) 1.086 6.972 ( 0.584 -1.608 0.078) 1.712 6.972 ( 0.584 1.608 0.078) 1.712 7.020 ( 0.035 -1.356 -0.337) 1.398 7.020 ( 0.035 1.356 -0.337) 1.398 7.964 ( 0.203 -0.731 0.135) 0.770 7.964 ( 0.203 0.731 0.135) 0.770 ======================= Grid point 35 (13/66) ======================= q-point: ( 0.00 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.330 ( 0.428 0.000 14.147) 14.154 0.338 ( 3.518 0.000 13.756) 14.199 0.470 ( -8.495 0.000 4.152) 9.455 0.576 ( 6.797 0.000 23.012) 23.994 0.782 ( -0.197 0.000 2.155) 2.164 0.795 ( 0.755 0.000 -4.082) 4.151 0.903 ( 3.206 0.000 0.225) 3.213 0.991 ( -1.768 0.000 4.810) 5.125 1.046 ( 4.443 0.000 -1.308) 4.632 1.139 ( 1.292 0.000 0.722) 1.480 1.158 ( -2.091 0.000 -2.771) 3.471 1.221 ( -0.688 0.000 -0.537) 0.872 1.345 ( 1.771 0.000 -4.576) 4.907 1.406 ( -2.382 0.000 -4.864) 5.417 1.465 ( -2.944 0.000 -5.792) 6.497 1.504 ( -2.070 0.000 -1.477) 2.543 1.672 ( -1.739 0.000 0.723) 1.883 1.692 ( -0.476 0.000 2.600) 2.644 1.779 ( 1.794 0.000 2.690) 3.233 1.789 ( -1.076 0.000 1.560) 1.895 1.831 ( 1.481 0.000 4.693) 4.921 1.884 ( 0.250 0.000 3.570) 3.578 1.909 ( -1.988 0.000 -1.841) 2.709 1.949 ( 2.542 0.000 -1.034) 2.744 1.966 ( 1.476 0.000 0.736) 1.649 2.029 ( -2.909 0.000 -4.600) 5.443 2.045 ( 2.002 0.000 -0.818) 2.163 2.084 ( -3.012 0.000 2.313) 3.798 2.134 ( 2.150 0.000 4.593) 5.072 2.210 ( -1.783 0.000 -5.461) 5.745 2.244 ( 0.275 0.000 -0.169) 0.323 2.262 ( -0.947 0.000 -2.688) 2.850 2.333 ( -0.815 0.000 -0.789) 1.135 2.354 ( 0.473 0.000 -0.307) 0.564 2.364 ( 3.357 0.000 0.759) 3.442 2.381 ( 0.131 0.000 -0.764) 0.775 2.398 ( -1.681 0.000 -0.953) 1.932 2.510 ( -3.754 0.000 -0.144) 3.756 2.518 ( -1.823 0.000 2.554) 3.138 2.592 ( -4.406 0.000 1.727) 4.732 2.620 ( 1.513 0.000 1.506) 2.135 2.811 ( 0.119 0.000 -2.009) 2.012 2.857 ( 4.123 0.000 0.738) 4.188 2.858 ( 1.850 0.000 -0.095) 1.852 2.875 ( -3.521 0.000 2.009) 4.054 2.920 ( -0.518 0.000 0.023) 0.519 2.979 ( 1.424 0.000 0.206) 1.439 3.077 ( 0.229 0.000 -1.486) 1.503 3.092 ( 1.950 0.000 -1.092) 2.234 3.139 ( 0.716 0.000 -6.198) 6.239 3.291 ( -2.790 0.000 1.490) 3.163 3.417 ( 0.459 0.000 -2.429) 2.472 3.455 ( 0.284 0.000 1.311) 1.341 3.489 ( 0.528 0.000 -1.846) 1.920 3.567 ( -11.393 0.000 1.004) 11.437 3.581 ( 1.472 0.000 -2.777) 3.143 3.720 ( 0.140 0.000 7.289) 7.290 3.829 ( 1.366 0.000 3.922) 4.153 3.938 ( -1.318 0.000 -1.078) 1.703 3.959 ( -1.051 0.000 -1.888) 2.160 4.486 ( -0.203 0.000 4.460) 4.464 4.637 ( -2.903 0.000 0.532) 2.951 4.643 ( -0.927 0.000 1.215) 1.528 4.669 ( 2.914 0.000 -0.774) 3.015 4.742 ( 1.142 0.000 -0.037) 1.142 4.786 ( 2.703 0.000 0.965) 2.870 4.821 ( 8.497 0.000 2.009) 8.731 4.857 ( 0.405 0.000 -0.893) 0.981 4.981 ( -0.457 0.000 -0.699) 0.835 5.147 ( -2.507 0.000 -1.574) 2.960 5.371 ( 0.350 0.000 0.766) 0.842 5.384 ( -0.188 0.000 0.140) 0.234 5.496 ( -0.090 0.000 -1.918) 1.920 5.747 ( 5.846 0.000 -3.951) 7.056 6.772 ( 1.199 0.000 0.759) 1.419 6.784 ( -2.313 0.000 -2.863) 3.681 6.836 ( 1.252 0.000 -1.062) 1.642 6.893 ( 2.519 0.000 1.472) 2.918 6.968 ( 2.181 0.000 0.194) 2.190 7.002 ( -11.942 0.000 -0.167) 11.943 7.015 ( -2.090 0.000 -0.413) 2.130 7.044 ( 0.100 0.000 -0.598) 0.606 7.909 ( 0.743 0.000 0.928) 1.189 7.976 ( -0.044 0.000 -1.008) 1.009 ======================= Grid point 36 (14/66) ======================= q-point: ( 0.14 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( -7.665 0.000 2.333) 8.013 0.461 ( 2.127 0.000 11.842) 12.031 0.574 ( 7.728 0.000 10.955) 13.407 0.761 ( 1.325 0.000 -0.933) 1.621 0.762 ( -0.596 0.000 -1.782) 1.879 0.908 ( 4.706 0.000 3.729) 6.005 0.994 ( 1.622 0.000 -3.103) 3.501 1.061 ( 8.322 0.000 14.324) 16.566 1.098 ( 3.301 0.000 -2.725) 4.281 1.110 ( -0.530 0.000 2.450) 2.506 1.197 ( 1.616 0.000 5.547) 5.778 1.214 ( -0.023 0.000 0.762) 0.762 1.293 ( -4.923 0.000 -3.790) 6.213 1.330 ( 1.096 0.000 -3.953) 4.102 1.414 ( 2.500 0.000 -2.985) 3.894 1.452 ( -3.178 0.000 -1.445) 3.492 1.611 ( -3.757 0.000 -2.442) 4.481 1.683 ( -3.952 0.000 4.173) 5.747 1.775 ( -3.125 0.000 -0.006) 3.125 1.802 ( -0.739 0.000 -6.244) 6.288 1.832 ( -2.039 0.000 2.858) 3.511 1.884 ( -3.316 0.000 3.450) 4.785 1.890 ( 1.129 0.000 3.356) 3.541 1.956 ( -0.195 0.000 -2.891) 2.898 1.987 ( 0.428 0.000 -0.214) 0.478 2.008 ( 1.875 0.000 -2.060) 2.786 2.058 ( -1.811 0.000 1.434) 2.310 2.097 ( 2.284 0.000 2.513) 3.396 2.160 ( 3.238 0.000 -4.676) 5.688 2.188 ( -0.441 0.000 3.265) 3.295 2.226 ( -3.573 0.000 -0.441) 3.600 2.267 ( -0.411 0.000 -0.830) 0.926 2.288 ( -1.503 0.000 -4.130) 4.395 2.322 ( -0.051 0.000 -1.714) 1.715 2.375 ( 0.164 0.000 0.439) 0.469 2.404 ( -0.635 0.000 2.896) 2.965 2.405 ( 2.427 0.000 -0.158) 2.433 2.495 ( 2.617 0.000 -2.852) 3.871 2.513 ( -1.693 0.000 2.351) 2.897 2.526 ( -3.037 0.000 0.209) 3.045 2.671 ( 2.494 0.000 2.573) 3.583 2.778 ( -1.643 0.000 -1.925) 2.531 2.843 ( -3.242 0.000 3.503) 4.773 2.892 ( 2.206 0.000 -0.593) 2.284 2.915 ( -0.386 0.000 0.560) 0.680 2.932 ( 3.871 0.000 -0.086) 3.872 2.976 ( -1.888 0.000 -1.921) 2.693 3.057 ( -0.043 0.000 -2.645) 2.645 3.095 ( 1.871 0.000 -3.188) 3.697 3.140 ( 4.447 0.000 -2.045) 4.895 3.282 ( -0.663 0.000 1.247) 1.412 3.372 ( -3.860 0.000 0.255) 3.868 3.452 ( -1.413 0.000 -0.160) 1.422 3.483 ( 0.827 0.000 1.836) 2.014 3.509 ( -0.663 0.000 0.369) 0.759 3.588 ( 2.389 0.000 -2.751) 3.644 3.728 ( -5.649 0.000 5.071) 7.591 3.864 ( -2.687 0.000 3.290) 4.248 3.912 ( 1.220 0.000 -0.682) 1.398 3.941 ( 1.346 0.000 -2.100) 2.494 4.532 ( 0.938 0.000 4.093) 4.199 4.622 ( -0.251 0.000 3.132) 3.142 4.625 ( -1.799 0.000 0.571) 1.887 4.669 ( -0.556 0.000 -0.393) 0.681 4.761 ( 0.869 0.000 0.646) 1.083 4.807 ( -1.920 0.000 -0.021) 1.921 4.859 ( 0.558 0.000 -0.607) 0.824 4.908 ( 1.829 0.000 -3.315) 3.786 5.044 ( 7.218 0.000 1.972) 7.482 5.114 ( 0.760 0.000 -2.404) 2.521 5.382 ( -0.156 0.000 -0.002) 0.156 5.385 ( 0.408 0.000 0.784) 0.883 5.477 ( 0.132 0.000 -2.000) 2.004 5.705 ( -3.417 0.000 -3.071) 4.595 6.719 ( -2.325 0.000 -2.271) 3.250 6.808 ( -2.271 0.000 0.217) 2.281 6.810 ( 1.844 0.000 0.650) 1.955 6.940 ( 0.996 0.000 1.451) 1.760 6.941 ( 0.771 0.000 1.156) 1.390 6.956 ( -2.950 0.000 0.945) 3.098 7.026 ( 3.722 0.000 -1.744) 4.110 7.052 ( 1.138 0.000 -0.484) 1.236 7.939 ( 1.553 0.000 0.958) 1.825 7.962 ( -0.461 0.000 -1.091) 1.185 ======================= Grid point 37 (15/66) ======================= q-point: ( 0.29 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( -4.000 0.000 1.004) 4.125 0.618 ( 5.988 0.000 5.683) 8.256 0.743 ( 2.557 0.000 0.433) 2.593 0.758 ( 0.939 0.000 -1.456) 1.733 0.809 ( 5.560 0.000 9.971) 11.417 0.932 ( -0.442 0.000 -2.702) 2.738 0.980 ( -0.415 0.000 -2.732) 2.764 1.111 ( 2.308 0.000 2.469) 3.380 1.132 ( 0.765 0.000 1.258) 1.472 1.144 ( -3.839 0.000 -3.598) 5.262 1.205 ( -3.282 0.000 -0.195) 3.288 1.300 ( 2.995 0.000 4.058) 5.044 1.338 ( 3.925 0.000 3.752) 5.429 1.360 ( 3.375 0.000 1.687) 3.773 1.387 ( -1.217 0.000 1.162) 1.683 1.433 ( 1.586 0.000 -3.699) 4.025 1.537 ( -2.218 0.000 -1.373) 2.609 1.631 ( -5.140 0.000 0.926) 5.223 1.687 ( -5.254 0.000 -1.092) 5.367 1.736 ( 0.913 0.000 -3.693) 3.804 1.852 ( -1.151 0.000 2.872) 3.094 1.885 ( -1.065 0.000 3.123) 3.299 1.925 ( 0.273 0.000 0.970) 1.008 1.937 ( 0.477 0.000 -1.052) 1.155 1.997 ( 0.098 0.000 0.588) 0.596 2.010 ( 0.075 0.000 1.125) 1.128 2.033 ( -3.709 0.000 1.450) 3.983 2.086 ( -2.635 0.000 0.507) 2.683 2.119 ( -5.474 0.000 -1.212) 5.606 2.198 ( -1.333 0.000 0.409) 1.394 2.199 ( 2.477 0.000 -0.395) 2.509 2.232 ( -0.152 0.000 -3.670) 3.674 2.284 ( 4.247 0.000 1.144) 4.399 2.352 ( 3.145 0.000 -0.587) 3.199 2.387 ( 1.016 0.000 -0.522) 1.142 2.411 ( -3.081 0.000 1.596) 3.470 2.435 ( 0.256 0.000 0.681) 0.728 2.452 ( -0.996 0.000 -1.808) 2.064 2.521 ( 0.715 0.000 1.619) 1.770 2.553 ( 3.787 0.000 -1.552) 4.092 2.729 ( -2.387 0.000 -1.152) 2.650 2.747 ( 3.202 0.000 3.048) 4.421 2.832 ( -2.141 0.000 3.006) 3.690 2.874 ( -1.489 0.000 -3.740) 4.026 2.916 ( -0.544 0.000 1.240) 1.354 2.951 ( -0.871 0.000 -1.876) 2.068 2.966 ( 2.035 0.000 1.118) 2.322 3.047 ( 1.768 0.000 -1.758) 2.493 3.126 ( 3.029 0.000 -0.752) 3.121 3.172 ( 2.171 0.000 -2.962) 3.673 3.279 ( -0.990 0.000 0.996) 1.404 3.324 ( -3.356 0.000 2.370) 4.108 3.443 ( 0.976 0.000 -1.317) 1.639 3.503 ( -0.536 0.000 1.698) 1.781 3.504 ( -0.781 0.000 0.839) 1.146 3.605 ( 3.415 0.000 -3.807) 5.114 3.670 ( -5.368 0.000 3.594) 6.460 3.837 ( -2.432 0.000 1.634) 2.930 3.938 ( 0.691 0.000 0.922) 1.152 3.949 ( 1.225 0.000 -1.215) 1.725 4.583 ( 0.554 0.000 2.767) 2.822 4.606 ( -0.742 0.000 0.449) 0.867 4.659 ( 0.083 0.000 -0.531) 0.538 4.665 ( 1.394 0.000 2.714) 3.051 4.758 ( -2.410 0.000 -1.182) 2.684 4.759 ( -1.979 0.000 -1.162) 2.295 4.864 ( 0.674 0.000 -0.353) 0.761 4.896 ( 2.454 0.000 -2.261) 3.337 5.104 ( 0.018 0.000 -1.836) 1.836 5.181 ( 5.429 0.000 2.554) 6.000 5.379 ( -0.091 0.000 -0.086) 0.126 5.397 ( 0.219 0.000 0.417) 0.471 5.467 ( 0.519 0.000 -0.914) 1.051 5.628 ( -2.771 0.000 -2.058) 3.452 6.675 ( -1.125 0.000 -0.806) 1.384 6.772 ( -0.620 0.000 -2.039) 2.132 6.853 ( 1.083 0.000 2.106) 2.368 6.907 ( -2.557 0.000 -0.395) 2.587 6.963 ( -0.073 0.000 0.940) 0.943 6.968 ( 0.837 0.000 0.865) 1.203 7.071 ( 2.077 0.000 -1.237) 2.418 7.072 ( 3.246 0.000 -0.978) 3.390 7.945 ( -0.343 0.000 -0.735) 0.811 7.969 ( 1.283 0.000 0.110) 1.288 ======================= Grid point 38 (16/66) ======================= q-point: (-0.57 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( 2.262 0.000 3.361) 4.051 0.690 ( 1.766 0.000 -4.220) 4.575 0.777 ( -1.336 0.000 3.378) 3.633 0.810 ( 4.176 0.000 0.291) 4.186 0.912 ( 1.605 0.000 -2.975) 3.380 0.922 ( -4.526 0.000 2.228) 5.045 0.981 ( -2.257 0.000 2.493) 3.363 1.019 ( 1.604 0.000 2.812) 3.237 1.149 ( 0.927 0.000 -1.279) 1.580 1.157 ( -0.574 0.000 -0.876) 1.048 1.213 ( -0.507 0.000 5.888) 5.910 1.296 ( -0.846 0.000 -3.959) 4.048 1.341 ( -1.576 0.000 -4.096) 4.389 1.407 ( 1.339 0.000 1.141) 1.759 1.415 ( 0.098 0.000 -1.343) 1.346 1.431 ( 2.181 0.000 1.874) 2.875 1.522 ( 1.045 0.000 -0.439) 1.134 1.562 ( -4.355 0.000 0.818) 4.431 1.622 ( -2.143 0.000 1.223) 2.467 1.711 ( 0.183 0.000 -5.660) 5.663 1.846 ( -1.547 0.000 1.393) 2.082 1.897 ( -1.175 0.000 2.897) 3.126 1.921 ( -1.147 0.000 0.158) 1.158 1.958 ( 0.969 0.000 1.338) 1.652 1.973 ( -3.114 0.000 1.616) 3.508 1.995 ( 0.439 0.000 1.604) 1.663 2.030 ( 0.491 0.000 0.465) 0.676 2.075 ( -0.076 0.000 0.342) 0.350 2.085 ( -0.778 0.000 4.238) 4.309 2.164 ( -0.166 0.000 -3.242) 3.246 2.213 ( -0.047 0.000 -1.417) 1.418 2.266 ( 2.805 0.000 3.697) 4.640 2.331 ( -3.862 0.000 -3.490) 5.206 2.343 ( 1.619 0.000 0.140) 1.625 2.395 ( 1.581 0.000 0.817) 1.779 2.409 ( 2.694 0.000 -0.337) 2.715 2.433 ( -1.288 0.000 2.158) 2.513 2.448 ( -0.425 0.000 1.024) 1.109 2.555 ( 1.484 0.000 0.643) 1.617 2.599 ( 3.701 0.000 -1.452) 3.976 2.686 ( -1.794 0.000 -0.480) 1.857 2.792 ( -1.973 0.000 1.249) 2.335 2.817 ( -1.830 0.000 -1.260) 2.221 2.825 ( -0.544 0.000 -2.652) 2.707 2.919 ( -0.450 0.000 0.975) 1.074 2.923 ( 1.350 0.000 0.499) 1.439 3.014 ( 1.461 0.000 1.689) 2.233 3.060 ( 1.171 0.000 -1.391) 1.818 3.159 ( 1.190 0.000 -0.112) 1.196 3.163 ( 0.109 0.000 -1.695) 1.699 3.277 ( -0.336 0.000 1.318) 1.360 3.316 ( -0.742 0.000 3.132) 3.218 3.457 ( 2.334 0.000 -1.447) 2.746 3.496 ( -1.399 0.000 1.177) 1.828 3.500 ( -1.395 0.000 1.501) 2.049 3.624 ( 3.932 0.000 -4.837) 6.234 3.637 ( -2.974 0.000 3.898) 4.903 3.815 ( -2.206 0.000 1.339) 2.580 3.943 ( -0.735 0.000 0.252) 0.777 3.958 ( 1.182 0.000 -0.820) 1.438 4.588 ( -1.289 0.000 0.615) 1.429 4.598 ( -1.174 0.000 -0.809) 1.426 4.658 ( 0.002 0.000 0.030) 0.030 4.675 ( -2.665 0.000 -4.213) 4.985 4.712 ( 0.769 0.000 0.505) 0.920 4.737 ( 0.766 0.000 0.355) 0.845 4.871 ( 0.347 0.000 0.020) 0.348 4.957 ( 4.689 0.000 1.234) 4.849 5.082 ( -0.954 0.000 -0.978) 1.366 5.246 ( 0.255 0.000 1.137) 1.165 5.378 ( 0.034 0.000 -0.100) 0.106 5.397 ( -0.395 0.000 -0.309) 0.502 5.481 ( 1.129 0.000 0.809) 1.389 5.579 ( -1.100 0.000 -1.693) 2.019 6.672 ( 0.591 0.000 1.132) 1.277 6.750 ( 0.566 0.000 -2.623) 2.684 6.867 ( -1.175 0.000 -1.419) 1.842 6.878 ( -0.208 0.000 1.569) 1.582 6.960 ( -0.593 0.000 -0.327) 0.677 6.983 ( -0.100 0.000 1.410) 1.414 7.087 ( 1.504 0.000 -2.087) 2.572 7.106 ( 1.503 0.000 -0.189) 1.515 7.941 ( 0.327 0.000 -0.163) 0.365 7.977 ( 0.149 0.000 -0.967) 0.978 ======================= Grid point 39 (17/66) ======================= q-point: (-0.43 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( 4.057 0.000 4.669) 6.186 0.631 ( -6.604 0.000 -0.773) 6.649 0.692 ( -9.738 0.000 -1.054) 9.795 0.793 ( -0.637 0.000 -6.819) 6.849 0.865 ( 0.568 0.000 -3.859) 3.901 0.910 ( -4.526 0.000 4.427) 6.331 0.973 ( -1.099 0.000 4.234) 4.374 1.108 ( -1.413 0.000 -2.664) 3.015 1.148 ( -3.775 0.000 -4.729) 6.050 1.160 ( 2.491 0.000 1.940) 3.158 1.181 ( 1.027 0.000 0.775) 1.286 1.248 ( -2.063 0.000 -2.697) 3.395 1.274 ( -4.220 0.000 4.121) 5.898 1.423 ( -0.790 0.000 3.633) 3.718 1.424 ( 1.652 0.000 1.401) 2.166 1.471 ( 1.578 0.000 -1.124) 1.938 1.533 ( 1.311 0.000 1.891) 2.301 1.572 ( 4.128 0.000 0.511) 4.160 1.639 ( 0.821 0.000 2.807) 2.924 1.680 ( 3.025 0.000 -4.548) 5.462 1.810 ( -3.742 0.000 -0.518) 3.777 1.906 ( -0.763 0.000 1.225) 1.443 1.925 ( 1.793 0.000 0.816) 1.970 1.952 ( -1.792 0.000 0.855) 1.986 1.956 ( -0.295 0.000 -0.082) 0.306 2.038 ( 0.814 0.000 -0.534) 0.974 2.048 ( 1.231 0.000 3.168) 3.398 2.078 ( 0.659 0.000 -2.899) 2.973 2.118 ( 0.809 0.000 2.260) 2.400 2.164 ( 2.001 0.000 -2.537) 3.231 2.212 ( 0.967 0.000 0.187) 0.985 2.252 ( -0.210 0.000 -0.523) 0.563 2.307 ( -1.568 0.000 0.849) 1.783 2.351 ( -0.948 0.000 0.838) 1.265 2.412 ( -1.045 0.000 2.607) 2.809 2.432 ( -0.681 0.000 0.952) 1.171 2.447 ( -0.105 0.000 2.851) 2.853 2.484 ( 2.315 0.000 1.583) 2.805 2.572 ( 0.271 0.000 0.338) 0.434 2.647 ( 3.937 0.000 -1.393) 4.176 2.669 ( 0.213 0.000 0.415) 0.466 2.717 ( -4.874 0.000 -2.084) 5.301 2.766 ( -2.123 0.000 -1.167) 2.422 2.808 ( 1.193 0.000 -2.075) 2.393 2.918 ( -0.245 0.000 -0.017) 0.246 2.986 ( 2.954 0.000 1.499) 3.312 3.034 ( -0.792 0.000 1.542) 1.734 3.057 ( 0.637 0.000 -2.045) 2.142 3.158 ( -0.999 0.000 -0.224) 1.024 3.162 ( 0.785 0.000 -0.297) 0.840 3.296 ( 0.726 0.000 1.951) 2.082 3.346 ( 0.669 0.000 2.564) 2.650 3.480 ( -2.016 0.000 2.140) 2.940 3.490 ( 2.966 0.000 -1.959) 3.555 3.491 ( -1.433 0.000 1.421) 2.018 3.643 ( 3.903 0.000 -4.967) 6.317 3.646 ( -1.163 0.000 5.274) 5.401 3.787 ( -2.667 0.000 1.304) 2.968 3.924 ( -1.138 0.000 -0.832) 1.410 3.974 ( 1.375 0.000 -0.430) 1.441 4.530 ( -3.121 0.000 -2.098) 3.761 4.573 ( -3.616 0.000 -5.041) 6.204 4.598 ( 0.194 0.000 0.701) 0.727 4.666 ( 0.477 0.000 0.026) 0.477 4.726 ( 0.753 0.000 -0.350) 0.830 4.770 ( 1.831 0.000 0.806) 2.001 4.873 ( -0.253 0.000 0.008) 0.253 5.040 ( 3.706 0.000 -3.618) 5.179 5.068 ( -0.425 0.000 5.097) 5.114 5.214 ( -4.470 0.000 0.040) 4.470 5.378 ( 0.174 0.000 -0.267) 0.319 5.381 ( -0.721 0.000 -0.786) 1.066 5.510 ( 0.881 0.000 1.146) 1.445 5.555 ( -0.396 0.000 -1.153) 1.219 6.711 ( 1.921 0.000 2.440) 3.106 6.742 ( 1.378 0.000 -2.386) 2.756 6.847 ( 0.819 0.000 -2.025) 2.185 6.873 ( -1.099 0.000 -0.389) 1.166 6.941 ( -0.950 0.000 -0.969) 1.357 7.001 ( -0.063 0.000 3.393) 3.394 7.079 ( 0.108 0.000 -2.202) 2.205 7.115 ( -0.371 0.000 -0.029) 0.373 7.952 ( 0.947 0.000 0.130) 0.956 7.957 ( -1.020 0.000 -1.461) 1.782 ======================= Grid point 40 (18/66) ======================= q-point: (-0.29 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( -6.452 0.000 -1.084) 6.543 0.459 ( -13.347 0.000 -0.060) 13.347 0.570 ( -5.135 0.000 7.247) 8.882 0.707 ( -10.155 0.000 -7.381) 12.554 0.772 ( -1.246 0.000 -2.966) 3.217 0.857 ( -3.515 0.000 -1.483) 3.815 0.918 ( -5.355 0.000 3.977) 6.670 1.052 ( -1.987 0.000 -2.412) 3.125 1.076 ( -5.960 0.000 1.803) 6.227 1.156 ( 0.001 0.000 -0.669) 0.669 1.178 ( 0.855 0.000 1.021) 1.332 1.225 ( -0.814 0.000 -1.194) 1.445 1.322 ( 6.346 0.000 0.264) 6.351 1.445 ( -1.524 0.000 -3.052) 3.411 1.495 ( 3.394 0.000 2.762) 4.376 1.525 ( 5.188 0.000 6.527) 8.337 1.604 ( 3.214 0.000 2.470) 4.053 1.643 ( -0.102 0.000 1.611) 1.614 1.663 ( 3.159 0.000 0.547) 3.206 1.713 ( 2.339 0.000 -0.007) 2.339 1.740 ( -2.203 0.000 -1.764) 2.822 1.862 ( -3.403 0.000 -0.317) 3.417 1.930 ( -0.991 0.000 0.134) 1.000 1.964 ( 1.187 0.000 0.542) 1.305 1.998 ( 2.237 0.000 0.032) 2.238 2.007 ( -1.142 0.000 -2.822) 3.044 2.056 ( 1.372 0.000 -0.250) 1.394 2.128 ( 1.598 0.000 1.420) 2.138 2.157 ( 3.342 0.000 -0.803) 3.437 2.157 ( 3.669 0.000 -2.954) 4.710 2.222 ( 3.035 0.000 -1.669) 3.464 2.243 ( -4.120 0.000 -2.048) 4.601 2.331 ( 0.788 0.000 6.112) 6.163 2.336 ( -1.353 0.000 0.509) 1.445 2.410 ( -2.145 0.000 1.996) 2.930 2.419 ( -1.139 0.000 -0.638) 1.306 2.474 ( -0.300 0.000 3.041) 3.056 2.516 ( 0.635 0.000 2.829) 2.899 2.576 ( -0.318 0.000 0.274) 0.420 2.629 ( -3.341 0.000 -1.850) 3.819 2.653 ( -1.970 0.000 0.614) 2.064 2.738 ( 5.165 0.000 0.355) 5.177 2.742 ( 0.732 0.000 -0.487) 0.880 2.826 ( 2.812 0.000 -1.526) 3.199 2.910 ( 0.278 0.000 -1.329) 1.357 3.000 ( -2.252 0.000 -0.238) 2.265 3.022 ( -1.932 0.000 0.729) 2.065 3.065 ( 2.551 0.000 -1.694) 3.063 3.137 ( -0.430 0.000 -0.721) 0.839 3.161 ( -0.634 0.000 -1.278) 1.427 3.326 ( 0.348 0.000 1.880) 1.912 3.376 ( 0.863 0.000 1.394) 1.640 3.466 ( -1.125 0.000 1.362) 1.766 3.479 ( -1.741 0.000 1.601) 2.365 3.527 ( 1.859 0.000 1.674) 2.501 3.644 ( 1.398 0.000 -5.143) 5.330 3.702 ( 1.658 0.000 5.585) 5.826 3.764 ( -1.591 0.000 1.756) 2.369 3.907 ( 0.689 0.000 -0.533) 0.871 3.989 ( 0.646 0.000 -0.274) 0.701 4.467 ( -3.925 0.000 -3.998) 5.602 4.471 ( -2.244 0.000 -0.412) 2.282 4.610 ( 0.583 0.000 0.557) 0.807 4.673 ( 0.440 0.000 -0.229) 0.496 4.736 ( 0.695 0.000 -0.041) 0.696 4.798 ( 0.889 0.000 -0.121) 0.897 4.862 ( -0.654 0.000 -0.548) 0.853 5.001 ( -0.699 0.000 -7.081) 7.115 5.119 ( -6.437 0.000 -0.032) 6.437 5.148 ( 1.506 0.000 5.645) 5.843 5.365 ( -0.344 0.000 -0.487) 0.596 5.377 ( 0.181 0.000 -0.450) 0.485 5.523 ( 0.033 0.000 0.081) 0.087 5.543 ( -0.595 0.000 0.693) 0.913 6.748 ( 1.360 0.000 -1.372) 1.932 6.770 ( 2.570 0.000 1.735) 3.101 6.843 ( -0.749 0.000 -2.205) 2.329 6.858 ( 2.143 0.000 -1.171) 2.442 6.913 ( -0.934 0.000 -1.190) 1.513 7.049 ( 0.942 0.000 2.930) 3.078 7.060 ( -0.104 0.000 1.540) 1.543 7.096 ( -1.790 0.000 -0.089) 1.792 7.924 ( -1.348 0.000 -1.011) 1.685 7.969 ( 1.020 0.000 -0.096) 1.025 ======================= Grid point 41 (19/66) ======================= q-point: (-0.14 0.00 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.228 ( -11.390 0.000 4.670) 12.310 0.260 ( -8.847 0.000 7.980) 11.914 0.478 ( -16.019 0.000 15.434) 22.244 0.558 ( -7.022 0.000 6.518) 9.581 0.778 ( 1.557 0.000 -0.694) 1.704 0.809 ( 1.732 0.000 -4.846) 5.146 0.886 ( -0.888 0.000 -0.016) 0.888 1.004 ( -5.209 0.000 3.241) 6.135 1.017 ( 1.023 0.000 -2.478) 2.681 1.139 ( -1.067 0.000 -0.647) 1.248 1.197 ( -0.093 0.000 -0.604) 0.611 1.224 ( 1.055 0.000 -0.513) 1.173 1.381 ( -1.331 0.000 -4.008) 4.223 1.415 ( 4.699 0.000 -1.766) 5.020 1.547 ( 0.580 0.000 -0.798) 0.986 1.577 ( -3.614 0.000 -5.040) 6.202 1.643 ( 2.804 0.000 3.221) 4.270 1.655 ( 1.456 0.000 -0.424) 1.517 1.716 ( 0.648 0.000 4.421) 4.468 1.769 ( 1.538 0.000 3.067) 3.431 1.774 ( 3.102 0.000 5.107) 5.975 1.823 ( 0.553 0.000 -0.109) 0.563 1.927 ( 0.647 0.000 -1.339) 1.487 1.956 ( -0.911 0.000 -0.885) 1.271 1.976 ( 0.532 0.000 -0.812) 0.971 2.041 ( -1.234 0.000 -2.493) 2.781 2.059 ( 1.658 0.000 3.256) 3.654 2.106 ( -0.966 0.000 -3.664) 3.790 2.130 ( -4.376 0.000 0.181) 4.379 2.224 ( 2.889 0.000 0.339) 2.908 2.255 ( 4.675 0.000 -1.923) 5.055 2.285 ( 5.004 0.000 0.100) 5.005 2.305 ( -1.098 0.000 -2.625) 2.845 2.345 ( -2.206 0.000 2.282) 3.174 2.381 ( -1.395 0.000 -1.703) 2.201 2.396 ( -0.115 0.000 -1.767) 1.771 2.461 ( -4.585 0.000 0.116) 4.586 2.550 ( -2.575 0.000 -1.244) 2.860 2.563 ( -1.213 0.000 3.040) 3.273 2.594 ( 0.557 0.000 -0.156) 0.579 2.614 ( -3.042 0.000 2.518) 3.949 2.784 ( 3.982 0.000 0.412) 4.004 2.801 ( 2.869 0.000 -0.964) 3.027 2.845 ( 0.676 0.000 -0.840) 1.078 2.916 ( 1.327 0.000 -0.483) 1.412 2.934 ( -4.691 0.000 -0.377) 4.706 2.984 ( -2.122 0.000 -0.697) 2.234 3.085 ( 1.480 0.000 -1.564) 2.153 3.114 ( -2.703 0.000 -2.045) 3.389 3.144 ( 2.672 0.000 -2.501) 3.660 3.330 ( -2.054 0.000 1.223) 2.391 3.408 ( 2.483 0.000 -1.077) 2.706 3.461 ( -1.996 0.000 1.002) 2.233 3.475 ( 1.062 0.000 0.452) 1.154 3.601 ( 0.108 0.000 -4.630) 4.632 3.605 ( 2.472 0.000 8.680) 9.025 3.754 ( -1.500 0.000 -2.965) 3.323 3.776 ( 0.539 0.000 2.982) 3.030 3.936 ( 1.910 0.000 0.278) 1.930 3.985 ( -0.587 0.000 -0.423) 0.724 4.435 ( 3.990 0.000 7.224) 8.253 4.457 ( -0.837 0.000 2.807) 2.929 4.628 ( 0.959 0.000 0.699) 1.187 4.676 ( 0.240 0.000 -0.455) 0.514 4.745 ( 0.388 0.000 -0.186) 0.430 4.782 ( -1.535 0.000 -1.003) 1.834 4.855 ( 0.705 0.000 -0.877) 1.125 4.870 ( -6.685 0.000 -7.759) 10.241 5.028 ( -4.405 0.000 0.018) 4.405 5.192 ( -1.152 0.000 1.203) 1.665 5.362 ( 0.114 0.000 0.260) 0.284 5.381 ( 0.361 0.000 0.301) 0.470 5.515 ( -0.335 0.000 -1.152) 1.200 5.590 ( 4.806 0.000 6.157) 7.810 6.757 ( 0.587 0.000 -0.133) 0.602 6.820 ( 2.512 0.000 -1.346) 2.850 6.823 ( 1.186 0.000 -2.170) 2.473 6.857 ( -1.198 0.000 0.291) 1.233 6.922 ( 2.792 0.000 -0.076) 2.793 7.043 ( 0.087 0.000 -0.832) 0.837 7.058 ( -2.620 0.000 -0.042) 2.620 7.139 ( 1.874 0.000 1.789) 2.591 7.903 ( -0.559 0.000 0.048) 0.561 7.980 ( 0.596 0.000 -0.583) 0.834 ======================= Grid point 42 (20/66) ======================= q-point: ( 0.00 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 1.966 1.528 6.994) 7.424 0.380 ( -4.968 3.065 11.392) 12.801 0.526 ( -6.580 5.298 6.932) 10.928 0.716 ( 2.744 -4.943 0.803) 5.710 0.740 ( 4.459 10.118 9.364) 14.490 0.798 ( 0.319 0.016 -2.448) 2.469 0.893 ( 2.913 1.258 5.551) 6.394 0.975 ( -1.396 -0.629 5.963) 6.156 1.040 ( -0.280 -5.017 -0.238) 5.030 1.065 ( 2.856 0.514 -0.745) 2.996 1.138 ( 0.083 -2.989 -2.661) 4.003 1.253 ( 0.103 1.310 -0.072) 1.316 1.329 ( 1.003 -3.374 -1.510) 3.830 1.347 ( -1.131 -3.472 -3.062) 4.766 1.473 ( -2.146 0.158 -6.831) 7.162 1.495 ( -2.800 -1.193 -1.860) 3.567 1.673 ( -0.421 0.505 1.437) 1.580 1.698 ( -0.317 1.258 0.112) 1.302 1.743 ( -0.438 -1.556 1.418) 2.150 1.839 ( -0.203 -0.246 2.065) 2.089 1.844 ( -0.283 0.404 4.241) 4.270 1.880 ( 1.073 1.356 3.327) 3.749 1.904 ( 0.317 1.054 1.268) 1.679 1.932 ( 0.871 0.471 -2.076) 2.300 1.989 ( -0.885 -2.641 -0.777) 2.892 2.023 ( 0.942 1.667 -0.327) 1.942 2.065 ( 0.118 -0.998 1.746) 2.015 2.102 ( 0.089 2.629 -4.406) 5.131 2.152 ( 1.645 -0.395 0.378) 1.733 2.219 ( -1.268 -1.103 -4.176) 4.502 2.228 ( -0.281 1.848 -0.853) 2.055 2.263 ( -2.392 0.710 -0.879) 2.645 2.327 ( 1.178 -1.904 -0.207) 2.249 2.364 ( 0.266 -1.535 -0.158) 1.566 2.382 ( -0.107 1.491 -0.019) 1.495 2.395 ( 0.267 2.464 -1.483) 2.888 2.456 ( -1.354 2.862 -1.262) 3.408 2.507 ( -1.596 -0.383 1.143) 2.000 2.539 ( -0.543 1.808 -3.282) 3.786 2.581 ( -0.594 -1.845 0.562) 2.018 2.667 ( 0.737 3.870 -0.943) 4.051 2.790 ( 0.785 -4.603 0.762) 4.732 2.825 ( 1.343 0.352 -1.318) 1.914 2.842 ( 0.453 0.590 -2.804) 2.901 2.913 ( -3.027 1.807 0.463) 3.556 2.944 ( -0.521 0.819 0.106) 0.976 2.994 ( 1.289 1.942 -2.258) 3.246 3.075 ( 0.821 -0.749 -3.110) 3.302 3.114 ( 0.251 2.361 -2.354) 3.344 3.158 ( 1.909 0.834 -4.344) 4.818 3.319 ( -3.057 2.486 1.482) 4.210 3.419 ( -1.349 -0.182 -0.014) 1.361 3.430 ( -0.452 -1.509 -0.952) 1.841 3.488 ( 1.765 -1.566 -0.761) 2.479 3.531 ( -2.271 1.682 2.135) 3.542 3.642 ( -2.814 0.440 2.154) 3.571 3.722 ( -0.503 1.822 3.418) 3.905 3.825 ( 0.150 -0.780 3.534) 3.622 3.931 ( -0.545 -0.537 -1.562) 1.739 3.948 ( -0.962 -0.953 -1.700) 2.173 4.490 ( -0.048 0.528 5.101) 5.129 4.572 ( 0.097 -4.338 5.594) 7.080 4.640 ( -0.070 -0.418 1.005) 1.091 4.653 ( 1.762 -1.130 -0.349) 2.122 4.747 ( 0.416 0.813 0.371) 0.985 4.793 ( 2.801 -1.246 2.233) 3.793 4.815 ( 2.556 1.683 0.428) 3.090 4.860 ( 2.095 -0.215 -0.287) 2.126 4.989 ( -0.820 0.898 -0.708) 1.407 5.073 ( -2.502 -3.994 0.962) 4.810 5.401 ( -0.207 1.673 0.075) 1.688 5.411 ( -0.302 1.991 -1.454) 2.483 5.495 ( 0.104 0.048 -1.801) 1.804 5.619 ( 1.714 -7.180 1.501) 7.533 6.784 ( 1.091 1.047 0.190) 1.524 6.802 ( -0.955 0.777 -2.905) 3.155 6.846 ( 2.100 0.818 -0.837) 2.404 6.896 ( 3.017 -0.362 -0.656) 3.109 6.956 ( 0.425 -0.080 0.836) 0.941 6.998 ( -1.087 -1.214 -0.446) 1.690 7.053 ( -1.129 1.026 -0.511) 1.609 7.058 ( -5.462 1.898 -2.017) 6.124 7.918 ( 0.624 0.853 0.639) 1.234 7.966 ( 0.069 -1.037 -0.735) 1.273 ======================= Grid point 43 (21/66) ======================= q-point: ( 0.14 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.345 ( -6.123 0.272 4.206) 7.433 0.448 ( 0.871 -1.956 8.731) 8.990 0.610 ( 6.309 3.158 9.132) 11.540 0.728 ( 1.453 -2.215 -1.608) 3.099 0.762 ( -1.547 -0.248 0.138) 1.572 0.869 ( 3.837 -2.680 2.271) 5.202 0.992 ( 1.209 -1.076 -2.802) 3.236 1.014 ( -1.298 -3.558 1.546) 4.090 1.117 ( 5.899 3.204 12.194) 13.919 1.124 ( 2.931 -0.028 0.739) 3.023 1.155 ( 1.704 -2.067 1.102) 2.897 1.253 ( -2.602 1.425 0.405) 2.994 1.267 ( 0.377 -1.067 -2.398) 2.651 1.342 ( 1.114 -0.540 -1.160) 1.696 1.394 ( -0.944 0.332 -2.035) 2.268 1.464 ( 0.260 -0.472 -1.107) 1.232 1.624 ( -3.666 1.588 -2.771) 4.863 1.684 ( -2.961 -0.131 2.398) 3.813 1.748 ( -0.738 -0.217 1.490) 1.677 1.830 ( -2.396 0.919 -4.465) 5.150 1.858 ( -0.227 -3.600 4.237) 5.564 1.892 ( -3.280 4.022 1.370) 5.367 1.921 ( 0.495 2.694 2.718) 3.858 1.933 ( -0.806 -1.225 0.583) 1.578 1.966 ( 1.709 0.237 -0.679) 1.854 2.030 ( 0.131 -0.581 -2.516) 2.586 2.070 ( -0.460 0.623 -0.761) 1.086 2.102 ( 1.783 1.135 0.051) 2.114 2.149 ( -1.120 -2.277 -2.268) 3.403 2.197 ( 0.606 0.030 2.117) 2.202 2.219 ( 0.441 0.746 -2.168) 2.335 2.238 ( -0.519 0.807 -0.594) 1.128 2.298 ( -0.909 -2.261 -1.983) 3.142 2.339 ( -1.395 1.431 -1.435) 2.460 2.382 ( -1.588 -0.104 1.117) 1.944 2.395 ( -0.349 -1.219 0.926) 1.570 2.424 ( -1.016 4.207 -1.197) 4.491 2.486 ( -1.090 -1.368 0.358) 1.785 2.540 ( 2.737 1.536 -1.511) 3.483 2.557 ( -0.864 2.406 -1.347) 2.889 2.694 ( 1.441 1.639 1.965) 2.937 2.772 ( -2.228 -1.579 -2.599) 3.770 2.821 ( -0.170 -1.074 0.583) 1.233 2.859 ( 1.517 -2.479 1.105) 3.109 2.889 ( 0.385 0.204 -0.147) 0.459 2.948 ( 1.711 -0.933 -0.305) 1.972 2.997 ( -0.631 1.992 -2.082) 2.949 3.053 ( 0.617 0.301 -2.775) 2.859 3.098 ( 1.197 0.542 -3.108) 3.374 3.153 ( 1.706 0.010 -2.298) 2.862 3.300 ( -1.493 1.692 1.571) 2.750 3.378 ( -3.765 -0.756 2.512) 4.588 3.429 ( 1.212 0.463 -2.084) 2.455 3.502 ( 0.963 -1.050 -0.704) 1.589 3.535 ( -0.653 3.867 2.736) 4.782 3.631 ( 0.154 2.816 -0.124) 2.823 3.724 ( -4.145 0.208 4.209) 5.911 3.842 ( -2.097 -2.333 2.917) 4.283 3.906 ( 0.315 -0.348 -1.484) 1.556 3.927 ( 0.812 -1.173 -1.880) 2.360 4.540 ( 0.907 0.806 4.039) 4.217 4.595 ( -0.200 -1.689 2.629) 3.131 4.634 ( -1.194 0.154 1.593) 1.997 4.656 ( -0.783 -1.027 0.561) 1.407 4.769 ( 0.782 0.885 0.926) 1.501 4.826 ( -1.443 0.462 -0.193) 1.527 4.848 ( 0.971 -0.058 -0.561) 1.122 4.901 ( 1.008 -0.653 -2.520) 2.791 5.039 ( 6.631 -0.420 1.722) 6.863 5.071 ( 2.374 -2.920 -0.041) 3.763 5.398 ( -0.224 1.424 0.121) 1.447 5.404 ( 0.254 1.388 -0.058) 1.412 5.477 ( 0.012 0.171 -2.125) 2.132 5.616 ( -1.658 -6.554 -1.003) 6.834 6.760 ( -0.701 2.718 -2.978) 4.093 6.815 ( 1.900 0.232 0.725) 2.047 6.848 ( -1.651 3.409 -0.656) 3.844 6.928 ( 0.983 -0.723 0.680) 1.397 6.945 ( -0.913 -0.105 0.597) 1.096 6.978 ( -2.074 1.085 -0.289) 2.358 7.007 ( 2.185 -1.014 -0.676) 2.502 7.045 ( 0.310 -0.639 -0.668) 0.975 7.941 ( 1.272 0.230 0.655) 1.449 7.957 ( -0.153 -0.415 -0.793) 0.908 ======================= Grid point 44 (22/66) ======================= q-point: ( 0.29 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.282 ( -4.265 2.559 1.969) 5.350 0.531 ( 1.048 -7.178 4.060) 8.313 0.739 ( 1.839 -0.675 -0.328) 1.986 0.784 ( 5.396 2.851 3.588) 7.079 0.824 ( 5.657 0.688 6.693) 8.791 0.930 ( -2.574 -2.082 -1.200) 3.521 0.950 ( 0.775 -1.880 -0.911) 2.228 1.013 ( 1.362 -3.471 -0.600) 3.777 1.111 ( -3.400 -4.292 -1.427) 5.658 1.170 ( 1.449 -1.391 -2.572) 3.264 1.188 ( 1.448 1.731 0.684) 2.358 1.275 ( -0.211 -0.610 3.047) 3.114 1.329 ( 2.576 -0.207 4.053) 4.807 1.348 ( 0.532 -1.577 2.175) 2.739 1.402 ( -0.103 0.556 0.027) 0.567 1.461 ( 0.066 -0.388 -3.836) 3.856 1.561 ( -0.890 3.965 -0.285) 4.074 1.648 ( -2.713 0.780 1.937) 3.423 1.718 ( -4.065 2.991 -0.917) 5.129 1.769 ( 0.957 3.064 -3.823) 4.993 1.835 ( -4.145 -0.441 2.982) 5.126 1.919 ( -0.294 -1.616 0.622) 1.757 1.925 ( -2.403 0.971 2.466) 3.577 1.949 ( 0.325 -0.789 1.816) 2.007 1.969 ( 0.504 -0.445 0.029) 0.673 1.995 ( -1.176 -0.175 0.244) 1.214 2.050 ( -0.635 1.945 -0.185) 2.054 2.106 ( -0.642 1.935 -0.603) 2.125 2.116 ( -1.019 -1.254 0.788) 1.798 2.202 ( -0.651 0.601 -1.671) 1.892 2.226 ( 1.571 2.183 -0.420) 2.722 2.265 ( 2.692 0.544 0.235) 2.757 2.279 ( 0.757 1.030 -2.044) 2.411 2.320 ( 0.332 -0.525 0.213) 0.656 2.356 ( -0.746 -2.261 0.182) 2.387 2.393 ( -0.923 -0.880 0.378) 1.330 2.425 ( -0.307 1.643 2.079) 2.667 2.480 ( -0.366 -3.252 1.078) 3.446 2.509 ( -1.240 1.819 -2.598) 3.405 2.592 ( 3.494 1.750 -1.251) 4.103 2.706 ( -2.400 -2.770 -0.920) 3.779 2.733 ( -0.004 -2.562 0.810) 2.687 2.835 ( 1.194 1.682 1.815) 2.748 2.887 ( 0.280 -1.055 1.284) 1.685 2.901 ( 0.947 1.422 -1.534) 2.297 2.960 ( -0.332 1.020 -0.074) 1.075 2.988 ( 1.229 0.914 -0.295) 1.560 3.025 ( 0.161 0.087 -2.345) 2.353 3.110 ( 2.621 -1.784 -2.011) 3.754 3.151 ( 0.173 -2.451 -2.262) 3.340 3.292 ( -1.051 1.391 1.204) 2.119 3.347 ( -3.145 0.675 2.990) 4.392 3.432 ( 1.653 0.582 -1.985) 2.648 3.507 ( 0.096 -0.707 -0.298) 0.773 3.546 ( -0.768 3.920 1.995) 4.465 3.638 ( 0.707 1.775 -0.488) 1.972 3.685 ( -3.687 2.326 2.700) 5.128 3.823 ( -2.232 -1.574 1.767) 3.253 3.915 ( 1.190 -1.892 -0.613) 2.317 3.929 ( 0.724 -1.761 -0.838) 2.080 4.584 ( 0.300 0.092 2.007) 2.032 4.599 ( -0.644 -0.609 0.522) 1.029 4.656 ( 0.917 -0.184 0.815) 1.240 4.662 ( 0.766 -0.254 2.758) 2.874 4.762 ( -2.841 0.740 -1.437) 3.269 4.777 ( -2.268 1.098 -1.518) 2.942 4.854 ( 0.307 -0.651 -0.779) 1.061 4.888 ( 2.482 -1.073 -1.211) 2.963 5.108 ( 1.818 0.618 -0.804) 2.082 5.166 ( 5.200 -1.388 2.000) 5.742 5.396 ( -0.077 1.615 0.032) 1.617 5.412 ( 0.351 1.401 0.401) 1.499 5.461 ( 0.244 -0.523 -1.251) 1.377 5.572 ( -1.832 -4.735 -1.338) 5.250 6.729 ( -0.445 4.566 -1.290) 4.766 6.808 ( -1.194 3.387 -1.816) 4.025 6.852 ( 1.204 -0.347 1.199) 1.734 6.915 ( -1.927 0.169 -0.791) 2.090 6.957 ( 1.107 -0.894 0.787) 1.626 6.966 ( -0.348 0.290 0.569) 0.728 7.044 ( 2.126 -2.407 -0.544) 3.257 7.050 ( 1.471 -1.804 -0.736) 2.441 7.948 ( -0.071 0.279 -0.601) 0.667 7.965 ( 1.078 -0.384 -0.004) 1.144 ======================= Grid point 45 (23/66) ======================= q-point: (-0.57 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 1.234 2.154 3.728) 4.479 0.561 ( -0.040 -9.261 1.656) 9.408 0.767 ( 1.615 -1.266 -2.025) 2.883 0.820 ( -4.245 -3.389 -2.874) 6.145 0.891 ( 0.352 0.734 -1.962) 2.124 0.931 ( 0.189 -3.866 1.769) 4.256 0.962 ( 1.586 4.165 3.761) 5.832 1.027 ( 2.029 2.212 2.782) 4.093 1.105 ( 0.183 -3.768 0.689) 3.835 1.155 ( -0.967 -3.359 -3.022) 4.621 1.209 ( 1.515 0.126 1.617) 2.219 1.266 ( -2.620 -1.110 -2.038) 3.500 1.367 ( -1.110 -1.321 -0.331) 1.757 1.381 ( 2.246 1.501 3.596) 4.498 1.394 ( -3.221 -1.575 -0.953) 3.710 1.438 ( 3.903 0.517 1.485) 4.208 1.564 ( 1.480 3.108 -1.411) 3.721 1.624 ( -5.191 4.692 -0.330) 7.005 1.637 ( -1.328 1.644 0.230) 2.126 1.736 ( -0.794 1.569 -5.570) 5.841 1.814 ( -1.166 -2.085 3.678) 4.386 1.869 ( -1.709 -1.468 -0.778) 2.383 1.915 ( -1.340 -2.121 1.524) 2.935 1.947 ( -1.079 -2.892 0.663) 3.157 1.996 ( 0.077 3.197 1.315) 3.457 2.030 ( 1.374 2.595 3.184) 4.331 2.050 ( 0.772 2.117 -0.615) 2.336 2.099 ( -2.019 2.451 1.817) 3.658 2.124 ( 1.255 2.274 2.818) 3.832 2.182 ( 0.657 1.588 -3.252) 3.678 2.222 ( -0.365 0.678 -1.000) 1.262 2.270 ( 0.080 -0.438 -1.744) 1.800 2.316 ( 2.451 0.461 0.611) 2.567 2.340 ( -1.467 -0.887 1.566) 2.321 2.351 ( 1.262 -1.970 0.723) 2.449 2.389 ( -0.631 -0.893 1.314) 1.710 2.431 ( -0.387 1.724 1.249) 2.163 2.478 ( 0.045 0.466 0.272) 0.541 2.509 ( 1.697 -3.656 0.278) 4.040 2.628 ( 2.426 1.169 -1.320) 2.999 2.665 ( -0.844 -3.479 -1.421) 3.852 2.727 ( -1.787 -4.634 0.638) 5.007 2.872 ( -0.055 3.623 0.004) 3.623 2.879 ( -1.289 5.356 -1.649) 5.751 2.890 ( 0.119 -0.246 0.733) 0.782 2.978 ( -0.022 -0.240 2.422) 2.434 2.984 ( 1.907 1.732 -0.661) 2.660 3.045 ( 1.976 -1.720 -0.752) 2.726 3.116 ( -1.192 -3.478 -0.846) 3.773 3.138 ( 2.364 -2.904 -1.849) 4.176 3.293 ( -0.278 1.425 1.351) 1.983 3.335 ( -1.823 0.708 3.215) 3.763 3.446 ( 2.110 0.274 -1.732) 2.743 3.497 ( -0.977 -0.452 -0.193) 1.093 3.550 ( -0.583 3.973 1.384) 4.247 3.637 ( -1.638 0.178 2.515) 3.007 3.671 ( 0.741 3.845 -0.901) 4.018 3.805 ( -2.087 -1.253 1.420) 2.818 3.922 ( 0.004 -1.758 -0.228) 1.773 3.934 ( 1.164 -2.080 -1.032) 2.597 4.587 ( -1.146 -0.104 0.297) 1.189 4.591 ( -0.726 -0.473 -0.137) 0.877 4.664 ( -0.923 0.426 -0.880) 1.345 4.672 ( -2.563 -0.199 -3.140) 4.058 4.711 ( 0.606 0.072 0.107) 0.620 4.737 ( 0.648 -0.419 -0.304) 0.829 4.865 ( 0.795 0.394 0.506) 1.021 4.945 ( 3.301 -1.601 2.036) 4.196 5.111 ( -0.042 2.701 -1.347) 3.019 5.224 ( 0.362 -2.062 0.455) 2.142 5.394 ( -0.074 1.682 -0.205) 1.696 5.417 ( -0.028 1.892 0.097) 1.894 5.469 ( 1.042 -1.204 0.622) 1.709 5.541 ( -0.721 -3.443 -0.876) 3.625 6.726 ( 0.480 4.720 0.537) 4.775 6.778 ( -0.011 2.534 -2.471) 3.539 6.864 ( -0.090 -0.108 -0.901) 0.912 6.888 ( -0.275 0.179 -0.363) 0.489 6.958 ( -0.798 0.009 -0.261) 0.840 6.982 ( 0.472 0.022 1.610) 1.678 7.052 ( 0.892 -2.986 -1.666) 3.533 7.079 ( 1.226 -2.550 0.335) 2.849 7.946 ( 0.308 0.498 -0.274) 0.647 7.972 ( 0.182 -0.530 -0.843) 1.012 ======================= Grid point 46 (24/66) ======================= q-point: (-0.43 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 4.626 1.219 4.741) 6.735 0.570 ( -1.219 -6.145 1.815) 6.522 0.663 ( -7.735 -0.461 -2.424) 8.119 0.784 ( -4.829 -0.020 -5.910) 7.632 0.818 ( 0.430 -4.312 -1.472) 4.577 0.897 ( -3.803 -2.711 1.793) 5.003 1.034 ( -1.611 4.390 4.669) 6.608 1.056 ( -3.826 -2.775 -6.864) 8.334 1.089 ( -2.003 -2.602 -1.176) 3.488 1.113 ( 3.118 -2.573 1.160) 4.206 1.196 ( -2.005 -0.997 -1.544) 2.720 1.256 ( 0.706 2.942 3.965) 4.987 1.349 ( -3.997 0.803 0.566) 4.115 1.367 ( 0.300 -4.057 3.076) 5.100 1.455 ( 0.875 1.942 1.223) 2.456 1.474 ( 0.168 2.681 -1.658) 3.157 1.514 ( 2.111 -0.439 0.843) 2.315 1.625 ( 0.851 1.559 -0.386) 1.817 1.657 ( 1.572 2.813 1.393) 3.510 1.694 ( 3.096 0.973 -0.994) 3.394 1.827 ( -1.923 1.112 -0.145) 2.226 1.865 ( 0.728 -3.165 1.196) 3.461 1.894 ( -1.084 -0.884 0.577) 1.514 1.944 ( -0.895 -1.701 1.670) 2.546 1.999 ( 0.225 1.894 -1.526) 2.443 2.067 ( 1.834 2.833 -0.657) 3.438 2.085 ( 1.677 2.135 2.369) 3.603 2.092 ( 0.064 -0.324 1.077) 1.127 2.110 ( -2.290 1.934 -4.324) 5.261 2.190 ( 1.575 1.481 -1.229) 2.487 2.210 ( -0.710 -1.020 -2.226) 2.549 2.255 ( 1.713 2.107 3.242) 4.229 2.332 ( -0.511 1.378 -0.078) 1.472 2.354 ( -1.606 -0.993 1.265) 2.273 2.375 ( -0.042 -0.072 2.415) 2.417 2.399 ( 0.235 -2.748 4.087) 4.931 2.438 ( 0.258 0.662 0.177) 0.732 2.494 ( -0.385 -0.380 1.907) 1.982 2.546 ( 2.910 -2.230 0.826) 3.758 2.638 ( -0.577 -3.302 -1.352) 3.614 2.655 ( 1.420 -0.681 -1.537) 2.201 2.695 ( -1.016 -1.679 -0.802) 2.120 2.831 ( -2.078 4.828 -0.701) 5.302 2.855 ( -0.069 4.313 -1.206) 4.479 2.914 ( 1.026 0.481 0.487) 1.233 2.998 ( -0.033 -0.276 1.836) 1.857 3.022 ( 0.752 0.098 0.316) 0.821 3.048 ( 1.022 -0.587 -1.272) 1.734 3.117 ( 1.593 -2.171 -0.407) 2.723 3.158 ( 1.539 -2.131 -0.944) 2.793 3.311 ( 0.552 1.178 2.135) 2.500 3.343 ( -0.888 -0.418 3.054) 3.208 3.463 ( 1.697 -0.435 -1.698) 2.440 3.477 ( -0.972 -0.296 -0.316) 1.064 3.552 ( -0.773 3.849 1.203) 4.106 3.645 ( -0.892 -0.137 3.979) 4.080 3.680 ( 1.661 3.107 -1.767) 3.942 3.779 ( -2.487 -0.909 1.487) 3.037 3.913 ( -0.342 -0.792 -0.918) 1.260 3.949 ( 1.475 -2.193 -0.635) 2.718 4.533 ( -3.089 0.335 -2.409) 3.931 4.560 ( -3.098 -0.929 -3.871) 5.045 4.609 ( -0.426 0.819 -0.083) 0.927 4.649 ( -0.065 -1.282 -0.094) 1.287 4.728 ( 0.946 0.232 -0.226) 1.000 4.771 ( 2.219 -0.907 0.516) 2.452 4.878 ( -0.006 1.691 0.558) 1.780 5.014 ( 2.053 -3.287 2.024) 4.372 5.084 ( -1.553 2.387 -1.141) 3.068 5.192 ( -3.969 -2.118 -0.423) 4.518 5.392 ( 0.059 1.994 -0.106) 1.998 5.418 ( 0.186 2.503 0.157) 2.514 5.495 ( 0.956 -1.438 0.815) 1.909 5.528 ( -0.182 -2.415 -0.478) 2.468 6.750 ( 1.491 2.827 0.601) 3.252 6.764 ( 0.931 2.166 -1.717) 2.916 6.856 ( 1.290 0.907 -1.987) 2.536 6.880 ( -0.743 0.662 -0.421) 1.080 6.934 ( -1.169 -0.450 -1.250) 1.770 7.009 ( 0.513 0.535 2.757) 2.855 7.044 ( 0.059 -3.064 -1.501) 3.413 7.091 ( -0.159 -2.111 0.520) 2.180 7.952 ( 0.635 0.051 -0.103) 0.645 7.956 ( -0.754 -0.107 -1.228) 1.445 ======================= Grid point 47 (25/66) ======================= q-point: (-0.29 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.436 ( -3.530 4.137 -1.808) 5.731 0.507 ( -9.233 3.035 -2.510) 10.038 0.541 ( -5.034 1.764 9.408) 10.815 0.693 ( 2.040 -4.193 -5.787) 7.432 0.766 ( -5.304 -1.756 0.417) 5.603 0.860 ( -3.565 -0.705 -0.321) 3.649 0.891 ( -6.558 -3.202 -1.871) 7.534 0.996 ( -4.280 -1.106 1.856) 4.794 1.080 ( -0.043 0.931 -0.348) 0.995 1.126 ( -5.339 -1.542 -0.844) 5.621 1.188 ( 2.616 -2.200 -0.172) 3.422 1.235 ( -1.497 3.847 0.149) 4.131 1.315 ( 0.668 -2.223 -0.425) 2.359 1.391 ( -1.547 -4.142 0.472) 4.447 1.502 ( 2.534 0.631 1.292) 2.913 1.528 ( 3.856 -0.046 6.279) 7.368 1.593 ( 4.361 -0.006 1.243) 4.534 1.624 ( 1.312 -1.451 -1.408) 2.410 1.703 ( 3.198 3.807 0.716) 5.023 1.745 ( -1.125 1.322 0.986) 1.996 1.781 ( -0.136 3.747 -0.744) 3.823 1.869 ( -0.086 -0.470 0.114) 0.491 1.906 ( -1.504 -1.893 1.972) 3.120 1.936 ( 0.079 -1.869 -0.122) 1.875 2.003 ( 0.242 0.637 -2.077) 2.186 2.026 ( 0.173 1.830 -3.343) 3.816 2.065 ( 0.958 0.058 -3.204) 3.345 2.115 ( -0.041 -3.004 0.484) 3.043 2.135 ( 1.951 -0.212 0.787) 2.114 2.191 ( 2.500 1.431 -1.299) 3.160 2.207 ( 0.745 2.027 0.229) 2.172 2.319 ( 0.884 3.184 -1.767) 3.747 2.324 ( -0.920 2.830 0.042) 2.976 2.346 ( 1.444 -0.391 4.479) 4.722 2.377 ( -1.620 -2.423 2.353) 3.745 2.426 ( -2.202 -1.247 2.284) 3.409 2.446 ( -0.232 -0.660 1.313) 1.488 2.523 ( 1.122 0.841 3.397) 3.675 2.583 ( 1.116 -0.614 -1.407) 1.898 2.607 ( -1.557 -3.486 -1.279) 4.026 2.634 ( -0.753 0.596 -0.721) 1.201 2.733 ( 5.003 -0.848 -0.792) 5.136 2.805 ( -0.242 3.288 -0.462) 3.329 2.852 ( 0.205 2.987 -0.389) 3.019 2.928 ( 0.301 -0.107 0.061) 0.325 2.991 ( -1.412 0.643 -0.524) 1.637 3.024 ( 0.679 0.722 0.531) 1.125 3.077 ( 2.601 1.505 -1.145) 3.216 3.132 ( 1.482 -0.388 -1.752) 2.327 3.163 ( -0.281 -1.023 -1.025) 1.475 3.342 ( 0.194 1.123 2.605) 2.843 3.367 ( 0.508 -0.705 2.725) 2.860 3.455 ( -0.221 -0.376 -1.281) 1.353 3.474 ( 0.127 -1.243 0.224) 1.269 3.548 ( -0.774 2.930 0.840) 3.145 3.674 ( -1.861 -0.087 2.104) 2.810 3.688 ( 2.158 0.905 0.699) 2.442 3.764 ( -1.160 -0.274 2.147) 2.456 3.905 ( 0.951 0.100 -0.864) 1.288 3.965 ( 0.905 -2.088 -0.262) 2.291 4.462 ( -3.482 -0.157 -2.630) 4.367 4.471 ( -2.472 -0.211 -1.215) 2.763 4.616 ( 0.421 0.532 0.372) 0.774 4.652 ( 0.222 -1.465 0.057) 1.483 4.740 ( 0.852 0.616 -0.045) 1.052 4.807 ( 1.852 -1.313 -0.145) 2.275 4.866 ( -1.809 2.131 -0.448) 2.831 4.988 ( -3.158 -1.846 -5.416) 6.535 5.084 ( -1.159 -2.569 4.589) 5.385 5.106 ( -5.470 -1.417 0.115) 5.651 5.396 ( 0.249 2.268 0.349) 2.308 5.430 ( 1.387 3.636 -0.489) 3.922 5.506 ( -0.058 -1.901 0.119) 1.906 5.525 ( -0.170 -1.549 0.419) 1.614 6.762 ( 1.344 1.304 -1.365) 2.317 6.792 ( 2.483 0.966 -0.189) 2.671 6.854 ( -0.224 1.223 -2.061) 2.407 6.875 ( 1.246 2.232 -0.245) 2.568 6.902 ( -0.599 -0.979 -1.461) 1.857 7.027 ( 0.048 -2.875 -1.137) 3.092 7.060 ( 1.091 0.407 4.261) 4.417 7.086 ( -0.940 -0.811 0.526) 1.348 7.930 ( -1.024 0.573 -0.873) 1.463 7.962 ( 0.655 -0.688 -0.224) 0.976 ======================= Grid point 48 (26/66) ======================= q-point: (-0.14 0.25 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.316 ( -6.409 7.739 0.233) 10.051 0.370 ( -5.912 9.258 6.618) 12.824 0.560 ( -5.729 2.523 10.575) 12.289 0.666 ( -8.274 8.551 6.346) 13.485 0.702 ( 0.652 -3.457 -1.010) 3.659 0.802 ( 1.479 -1.019 -3.614) 4.036 0.848 ( 0.667 -2.811 -0.248) 2.900 0.966 ( -3.429 -0.632 4.634) 5.800 1.049 ( -1.932 -1.288 0.080) 2.323 1.070 ( -0.301 -1.610 -2.436) 2.936 1.178 ( -0.882 -3.114 -2.964) 4.389 1.248 ( 0.676 1.662 0.804) 1.967 1.330 ( 0.863 -5.985 -1.307) 6.186 1.360 ( 0.034 -3.555 -0.856) 3.656 1.538 ( 0.323 -0.076 -2.518) 2.540 1.577 ( -1.397 -0.757 -3.549) 3.888 1.649 ( 1.315 -0.625 2.128) 2.578 1.651 ( 2.109 0.657 2.307) 3.194 1.755 ( 2.526 1.974 3.628) 4.841 1.763 ( -1.134 2.913 -0.712) 3.206 1.802 ( 4.107 1.062 3.714) 5.638 1.861 ( -1.532 2.086 0.626) 2.663 1.901 ( -0.426 -2.307 0.766) 2.468 1.943 ( 1.001 -2.041 -1.058) 2.508 1.973 ( -0.278 -0.404 0.341) 0.597 2.027 ( -0.862 -0.615 -1.277) 1.659 2.053 ( 1.325 1.687 -0.629) 2.235 2.124 ( 1.762 -0.902 -0.609) 2.071 2.146 ( -0.768 -1.340 -1.013) 1.847 2.210 ( 1.094 3.630 -1.379) 4.034 2.259 ( 3.971 -1.747 1.178) 4.495 2.291 ( -0.929 1.966 -2.667) 3.441 2.350 ( 0.076 0.396 -1.182) 1.249 2.356 ( -2.637 1.609 -0.302) 3.104 2.373 ( -0.019 -1.425 -0.759) 1.614 2.389 ( 0.957 1.561 0.897) 2.039 2.477 ( -0.669 0.114 2.807) 2.888 2.533 ( -2.668 -0.920 1.427) 3.163 2.571 ( 0.222 -2.182 -0.689) 2.299 2.575 ( -0.646 -0.899 -1.772) 2.090 2.655 ( 2.923 2.863 -1.308) 4.295 2.779 ( 1.704 -0.050 -0.441) 1.761 2.819 ( 0.193 -1.931 -0.493) 2.002 2.845 ( 1.039 1.474 -1.327) 2.239 2.927 ( 0.444 1.850 -0.453) 1.955 2.969 ( -1.974 1.225 0.148) 2.328 3.024 ( 0.668 3.895 -3.384) 5.203 3.095 ( 0.663 0.445 -2.884) 2.993 3.131 ( -0.443 1.423 -1.634) 2.211 3.148 ( 2.978 0.206 -3.004) 4.235 3.356 ( -1.623 2.347 1.246) 3.114 3.403 ( 1.922 -0.246 0.460) 1.991 3.451 ( 0.731 -1.060 -0.698) 1.465 3.471 ( -1.256 -1.702 1.280) 2.472 3.546 ( -0.609 0.296 0.984) 1.195 3.654 ( -2.621 -0.501 4.051) 4.851 3.723 ( 0.189 0.089 -0.549) 0.588 3.784 ( 0.555 0.073 3.015) 3.066 3.929 ( 1.868 -0.449 -0.332) 1.949 3.969 ( -0.172 -1.517 -0.465) 1.596 4.434 ( 1.034 0.262 5.219) 5.327 4.459 ( 0.104 -0.272 3.373) 3.385 4.626 ( 0.772 -0.064 0.004) 0.775 4.651 ( -0.290 -1.558 -0.527) 1.670 4.752 ( 0.339 0.858 0.221) 0.949 4.814 ( -2.402 2.025 -0.962) 3.285 4.819 ( -1.898 -2.409 -0.977) 3.219 4.865 ( -3.551 -0.443 -2.977) 4.655 5.031 ( -3.573 0.354 0.221) 3.598 5.097 ( -2.435 -4.031 3.382) 5.798 5.402 ( -0.006 2.053 0.232) 2.066 5.434 ( 0.526 2.970 -2.877) 4.169 5.506 ( 0.091 -0.776 -0.809) 1.124 5.549 ( 1.847 -3.003 3.858) 5.226 6.772 ( 0.631 1.471 -0.174) 1.610 6.822 ( 1.906 -0.098 -1.301) 2.309 6.844 ( 0.288 0.493 -3.276) 3.325 6.857 ( 1.258 0.416 -0.989) 1.654 6.926 ( 1.991 0.953 0.771) 2.338 7.016 ( -0.583 -2.196 -0.337) 2.297 7.071 ( -1.042 0.881 0.090) 1.367 7.118 ( 0.630 -1.452 1.569) 2.229 7.913 ( -0.402 1.005 -0.038) 1.083 7.968 ( 0.411 -1.158 -0.495) 1.325 ======================= Grid point 49 (27/66) ======================= q-point: ( 0.00 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -5.233 -2.789 4.055) 7.184 0.391 ( -5.233 2.789 4.055) 7.184 0.627 ( -0.315 -4.404 5.294) 6.893 0.627 ( -0.315 4.404 5.294) 6.893 0.792 ( 1.129 -1.171 -1.531) 2.234 0.792 ( 1.129 1.171 -1.531) 2.234 0.953 ( -0.381 -1.188 4.793) 4.953 0.953 ( -0.381 1.188 4.793) 4.953 1.080 ( 2.352 -3.081 0.422) 3.899 1.080 ( 2.352 3.081 0.422) 3.899 1.134 ( 2.059 -11.354 1.766) 11.673 1.134 ( 2.059 11.354 1.766) 11.673 1.304 ( -0.787 -2.084 1.296) 2.577 1.304 ( -0.787 2.084 1.296) 2.577 1.475 ( -1.977 -0.404 -6.115) 6.440 1.475 ( -1.977 0.404 -6.115) 6.440 1.701 ( 0.748 -1.508 1.602) 2.324 1.701 ( 0.748 1.508 1.602) 2.324 1.763 ( -2.423 -3.663 -0.434) 4.413 1.763 ( -2.423 3.663 -0.434) 4.413 1.870 ( 0.605 -1.474 2.727) 3.159 1.870 ( 0.605 1.474 2.727) 3.159 1.935 ( 1.466 -1.602 0.656) 2.269 1.935 ( 1.466 1.602 0.656) 2.269 2.014 ( 0.642 -4.156 -0.117) 4.207 2.014 ( 0.642 4.156 -0.117) 4.207 2.100 ( -0.080 -4.767 -0.422) 4.786 2.100 ( -0.080 4.767 -0.422) 4.786 2.149 ( -0.443 -1.694 -2.192) 2.805 2.149 ( -0.443 1.694 -2.192) 2.805 2.272 ( -0.587 -2.093 -0.811) 2.320 2.272 ( -0.587 2.093 -0.811) 2.320 2.323 ( -0.425 -2.404 -0.404) 2.474 2.323 ( -0.425 2.404 -0.404) 2.474 2.418 ( -1.827 -1.039 -0.348) 2.131 2.418 ( -1.827 1.039 -0.348) 2.131 2.499 ( -0.354 -2.901 -0.204) 2.930 2.499 ( -0.354 2.901 -0.204) 2.930 2.547 ( 1.907 -2.172 -1.244) 3.147 2.547 ( 1.907 2.172 -1.244) 3.147 2.721 ( 1.013 -2.249 -0.408) 2.501 2.721 ( 1.013 2.249 -0.408) 2.501 2.840 ( 0.419 -0.931 -2.107) 2.342 2.840 ( 0.419 0.931 -2.107) 2.342 2.940 ( -2.455 -0.969 -0.403) 2.670 2.940 ( -2.455 0.969 -0.403) 2.670 3.045 ( 0.897 -2.431 -4.435) 5.137 3.045 ( 0.897 2.431 -4.435) 5.137 3.153 ( 1.131 -1.276 -3.117) 3.553 3.153 ( 1.131 1.276 -3.117) 3.553 3.374 ( -3.459 -2.824 1.063) 4.590 3.374 ( -3.459 2.824 1.063) 4.590 3.449 ( 1.910 -1.885 -0.601) 2.749 3.449 ( 1.910 1.885 -0.601) 2.749 3.595 ( -1.169 -3.739 4.097) 5.669 3.595 ( -1.169 3.739 4.097) 5.669 3.785 ( -1.045 -3.204 2.002) 3.920 3.785 ( -1.045 3.204 2.002) 3.920 3.930 ( -0.333 -0.594 -1.608) 1.747 3.930 ( -0.333 0.594 -1.608) 1.747 4.512 ( 0.301 -1.840 6.381) 6.648 4.512 ( 0.301 1.840 6.381) 6.648 4.637 ( 0.618 -0.314 0.290) 0.752 4.637 ( 0.618 0.314 0.290) 0.752 4.769 ( 0.477 -1.208 1.173) 1.750 4.769 ( 0.477 1.208 1.173) 1.750 4.846 ( 2.561 -1.179 0.195) 2.826 4.846 ( 2.561 1.179 0.195) 2.826 5.017 ( -1.666 -1.982 -0.333) 2.611 5.017 ( -1.666 1.982 -0.333) 2.611 5.428 ( -0.597 -0.466 -0.821) 1.118 5.428 ( -0.597 0.466 -0.821) 1.118 5.518 ( 0.530 -3.037 -0.262) 3.094 5.518 ( 0.530 3.037 -0.262) 3.094 6.803 ( 0.253 -0.623 -1.108) 1.296 6.803 ( 0.253 0.623 -1.108) 1.296 6.872 ( 2.984 -1.663 -1.211) 3.624 6.872 ( 2.984 1.663 -1.211) 3.624 6.971 ( -0.533 -1.323 0.420) 1.487 6.971 ( -0.533 1.323 0.420) 1.487 7.069 ( -2.322 -0.472 -1.046) 2.590 7.069 ( -2.322 0.472 -1.046) 2.590 7.941 ( 0.340 -1.340 -0.054) 1.384 7.941 ( 0.340 1.340 -0.054) 1.384 ======================= Grid point 51 (28/66) ======================= q-point: ( 0.14 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( -2.451 -3.533 5.626) 7.081 0.384 ( -2.451 3.533 5.626) 7.081 0.676 ( 3.084 -3.228 2.950) 5.351 0.676 ( 3.084 3.228 2.950) 5.351 0.796 ( 0.182 -3.772 1.725) 4.151 0.796 ( 0.182 3.772 1.725) 4.151 0.985 ( -0.078 -1.849 1.069) 2.138 0.985 ( -0.078 1.849 1.069) 2.138 1.102 ( 1.716 -1.240 -0.935) 2.314 1.102 ( 1.716 1.240 -0.935) 2.314 1.223 ( 2.477 -3.599 1.737) 4.702 1.223 ( 2.477 3.599 1.737) 4.702 1.300 ( -1.873 -3.034 2.692) 4.468 1.300 ( -1.873 3.034 2.692) 4.468 1.430 ( 1.815 -2.449 -1.829) 3.555 1.430 ( 1.815 2.449 -1.829) 3.555 1.670 ( -3.106 -1.990 0.073) 3.689 1.670 ( -3.106 1.990 0.073) 3.689 1.771 ( 0.542 -3.379 2.632) 4.317 1.771 ( 0.542 3.379 2.632) 4.317 1.869 ( -0.945 -2.948 -2.192) 3.793 1.869 ( -0.945 2.948 -2.192) 3.793 1.950 ( -0.522 -1.212 2.270) 2.626 1.950 ( -0.522 1.212 2.270) 2.626 2.008 ( -1.115 -1.809 -0.478) 2.178 2.008 ( -1.115 1.809 -0.478) 2.178 2.094 ( -0.282 -2.874 -1.477) 3.244 2.094 ( -0.282 2.874 -1.477) 3.244 2.148 ( 1.958 -2.857 -1.264) 3.687 2.148 ( 1.958 2.857 -1.264) 3.687 2.248 ( -0.918 -2.096 -0.207) 2.298 2.248 ( -0.918 2.096 -0.207) 2.298 2.319 ( -0.329 -4.463 1.618) 4.759 2.319 ( -0.329 4.463 1.618) 4.759 2.375 ( -1.810 -1.418 -1.338) 2.660 2.375 ( -1.810 1.418 -1.338) 2.660 2.482 ( -0.869 -0.789 -2.161) 2.459 2.482 ( -0.869 0.789 -2.161) 2.459 2.561 ( 0.472 -1.695 -0.022) 1.760 2.561 ( 0.472 1.695 -0.022) 1.760 2.729 ( -0.781 -1.968 -1.357) 2.515 2.729 ( -0.781 1.968 -1.357) 2.515 2.824 ( 1.366 -1.058 -0.659) 1.849 2.824 ( 1.366 1.058 -0.659) 1.849 2.913 ( 0.169 -1.886 -0.392) 1.934 2.913 ( 0.169 1.886 -0.392) 1.934 3.040 ( 2.005 -1.844 -2.645) 3.797 3.040 ( 2.005 1.844 -2.645) 3.797 3.128 ( -0.759 -2.089 -2.513) 3.355 3.128 ( -0.759 2.089 -2.513) 3.355 3.341 ( -2.372 -2.255 1.916) 3.792 3.341 ( -2.372 2.255 1.916) 3.792 3.466 ( 1.343 -2.308 -1.200) 2.927 3.466 ( 1.343 2.308 -1.200) 2.927 3.617 ( -1.161 -3.640 3.729) 5.339 3.617 ( -1.161 3.640 3.729) 5.339 3.776 ( -1.806 -4.033 1.686) 4.730 3.776 ( -1.806 4.033 1.686) 4.730 3.907 ( -0.104 -0.593 -1.799) 1.897 3.907 ( -0.104 0.593 -1.799) 1.897 4.563 ( 0.582 -1.471 3.601) 3.933 4.563 ( 0.582 1.471 3.601) 3.933 4.639 ( -0.942 -0.528 1.455) 1.812 4.639 ( -0.942 0.528 1.455) 1.812 4.797 ( 0.617 -1.892 1.201) 2.324 4.797 ( 0.617 1.892 1.201) 2.324 4.879 ( -0.236 -1.686 -1.853) 2.517 4.879 ( -0.236 1.686 -1.853) 2.517 5.037 ( 4.911 -0.509 1.117) 5.062 5.037 ( 4.911 0.509 1.117) 5.062 5.419 ( 0.042 -0.310 -0.092) 0.326 5.419 ( 0.042 0.310 -0.092) 0.326 5.509 ( -0.595 -3.718 -1.432) 4.029 5.509 ( -0.595 3.718 -1.432) 4.029 6.804 ( 1.226 -1.517 -1.150) 2.265 6.804 ( 1.226 1.517 -1.150) 2.265 6.909 ( 1.644 -1.919 -0.361) 2.553 6.909 ( 1.644 1.919 -0.361) 2.553 6.950 ( -1.749 -1.442 -0.198) 2.275 6.950 ( -1.749 1.442 -0.198) 2.275 7.027 ( -1.115 -1.275 -0.542) 1.778 7.027 ( -1.115 1.275 -0.542) 1.778 7.948 ( 0.575 -0.456 -0.070) 0.737 7.948 ( 0.575 0.456 -0.070) 0.737 ======================= Grid point 53 (29/66) ======================= q-point: ( 0.29 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -2.864 -7.151 3.391) 8.416 0.381 ( -2.864 7.151 3.391) 8.416 0.766 ( 2.390 -3.428 0.897) 4.274 0.766 ( 2.390 3.428 0.897) 4.274 0.868 ( 5.692 -4.725 5.347) 9.128 0.868 ( 5.692 4.725 5.347) 9.128 0.957 ( -1.940 -4.044 -1.416) 4.704 0.957 ( -1.940 4.044 -1.416) 4.704 1.097 ( 0.298 -3.351 -3.500) 4.855 1.097 ( 0.298 3.351 -3.500) 4.855 1.260 ( 0.305 -3.345 0.330) 3.375 1.260 ( 0.305 3.345 0.330) 3.375 1.315 ( 0.750 -1.115 5.498) 5.660 1.315 ( 0.750 1.115 5.498) 5.660 1.429 ( -0.577 -2.004 -2.858) 3.538 1.429 ( -0.577 2.004 -2.858) 3.538 1.635 ( -1.412 -2.397 -0.037) 2.782 1.635 ( -1.412 2.397 -0.037) 2.782 1.795 ( -1.839 -4.262 0.649) 4.687 1.795 ( -1.839 4.262 0.649) 4.687 1.846 ( 0.037 -4.246 0.148) 4.248 1.846 ( 0.037 4.246 0.148) 4.248 1.921 ( -4.126 -0.308 0.447) 4.161 1.921 ( -4.126 0.308 0.447) 4.161 2.003 ( 0.873 -0.705 1.992) 2.286 2.003 ( 0.873 0.705 1.992) 2.286 2.077 ( -0.128 -1.374 -0.030) 1.380 2.077 ( -0.128 1.374 -0.030) 1.380 2.167 ( 2.033 -3.453 -1.974) 4.467 2.167 ( 2.033 3.453 -1.974) 4.467 2.255 ( 1.109 -0.669 -0.487) 1.384 2.255 ( 1.109 0.669 -0.487) 1.384 2.325 ( -0.856 -1.579 1.186) 2.152 2.325 ( -0.856 1.579 1.186) 2.152 2.366 ( 1.534 -3.250 0.796) 3.681 2.366 ( 1.534 3.250 0.796) 3.681 2.436 ( -2.015 -1.256 -1.342) 2.727 2.436 ( -2.015 1.256 -1.342) 2.727 2.558 ( -0.910 -4.080 0.122) 4.182 2.558 ( -0.910 4.080 0.122) 4.182 2.685 ( -1.581 -1.535 -1.609) 2.729 2.685 ( -1.581 1.535 -1.609) 2.729 2.867 ( 2.232 -1.116 1.050) 2.707 2.867 ( 2.232 1.116 1.050) 2.707 2.936 ( 2.269 -2.575 0.430) 3.459 2.936 ( 2.269 2.575 0.430) 3.459 3.045 ( 1.543 -4.092 -2.642) 5.109 3.045 ( 1.543 4.092 -2.642) 5.109 3.085 ( -1.964 -3.440 -1.732) 4.323 3.085 ( -1.964 3.440 -1.732) 4.323 3.327 ( -1.612 -1.900 1.897) 3.132 3.327 ( -1.612 1.900 1.897) 3.132 3.473 ( 0.978 -2.454 -1.307) 2.948 3.473 ( 0.978 2.454 -1.307) 2.948 3.623 ( -1.885 -2.935 2.981) 4.589 3.623 ( -1.885 2.935 2.981) 4.589 3.765 ( -1.342 -4.290 1.363) 4.697 3.765 ( -1.342 4.290 1.363) 4.697 3.898 ( 0.765 -0.718 -1.397) 1.747 3.898 ( 0.765 0.718 -1.397) 1.747 4.588 ( -0.221 -0.401 0.944) 1.049 4.588 ( -0.221 0.401 0.944) 1.049 4.656 ( 0.857 -0.246 2.335) 2.499 4.656 ( 0.857 0.246 2.335) 2.499 4.781 ( -3.211 -0.843 -1.675) 3.718 4.781 ( -3.211 0.843 -1.675) 3.718 4.859 ( 1.628 -1.349 -0.639) 2.208 4.859 ( 1.628 1.349 -0.639) 2.208 5.133 ( 4.207 -1.766 0.747) 4.624 5.133 ( 4.207 1.766 0.747) 4.624 5.426 ( 0.533 -0.923 0.312) 1.110 5.426 ( 0.533 0.923 0.312) 1.110 5.481 ( -0.893 -3.624 -1.245) 3.934 5.481 ( -0.893 3.624 -1.245) 3.934 6.816 ( 0.687 -3.454 -0.300) 3.534 6.816 ( 0.687 3.454 -0.300) 3.534 6.885 ( -1.112 -3.261 -2.348) 4.169 6.885 ( -1.112 3.261 -2.348) 4.169 6.958 ( 1.077 -1.237 0.736) 1.798 6.958 ( 1.077 1.237 0.736) 1.798 7.019 ( 0.027 -0.813 0.197) 0.837 7.019 ( 0.027 0.813 0.197) 0.837 7.956 ( 0.537 -0.470 -0.293) 0.772 7.956 ( 0.537 0.470 -0.293) 0.772 ======================= Grid point 55 (30/66) ======================= q-point: (-0.57 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( -0.397 -8.023 3.693) 8.841 0.382 ( -0.397 8.023 3.693) 8.841 0.757 ( -1.381 -1.422 -2.608) 3.276 0.757 ( -1.381 1.422 -2.608) 3.276 0.903 ( -1.708 -0.560 -1.206) 2.165 0.903 ( -1.708 0.560 -1.206) 2.165 1.033 ( 5.539 -2.003 2.349) 6.341 1.033 ( 5.539 2.003 2.349) 6.341 1.081 ( -0.236 -3.334 0.381) 3.364 1.081 ( -0.236 3.334 0.381) 3.364 1.228 ( -1.910 -2.087 -0.518) 2.876 1.228 ( -1.910 2.087 -0.518) 2.876 1.363 ( -3.263 -1.260 -0.645) 3.557 1.363 ( -3.263 1.260 -0.645) 3.557 1.424 ( 3.996 -1.805 3.291) 5.482 1.424 ( 3.996 1.805 3.291) 5.482 1.629 ( 0.360 -2.866 -0.225) 2.897 1.629 ( 0.360 2.866 -0.225) 2.897 1.714 ( -4.347 -3.889 -2.670) 6.415 1.714 ( -4.347 3.889 -2.670) 6.415 1.837 ( -1.074 -3.981 -0.059) 4.124 1.837 ( -1.074 3.981 -0.059) 4.124 1.885 ( -0.696 -1.106 0.846) 1.557 1.885 ( -0.696 1.106 0.846) 1.557 2.052 ( -0.020 -1.578 1.104) 1.926 2.052 ( -0.020 1.578 1.104) 1.926 2.089 ( 1.114 -2.417 3.047) 4.045 2.089 ( 1.114 2.417 3.047) 4.045 2.189 ( 2.298 -2.591 -0.595) 3.514 2.189 ( 2.298 2.591 -0.595) 3.514 2.237 ( -1.275 -1.171 -2.526) 3.062 2.237 ( -1.275 1.171 -2.526) 3.062 2.325 ( -0.382 -0.508 0.547) 0.839 2.325 ( -0.382 0.508 0.547) 0.839 2.408 ( 0.806 -2.084 1.673) 2.792 2.408 ( 0.806 2.084 1.673) 2.792 2.418 ( 0.283 -1.453 1.220) 1.918 2.418 ( 0.283 1.453 1.220) 1.918 2.541 ( -0.688 -6.166 -0.276) 6.211 2.541 ( -0.688 6.166 -0.276) 6.211 2.662 ( 0.120 -1.845 -0.694) 1.975 2.662 ( 0.120 1.845 -0.694) 1.975 2.898 ( 0.269 -0.653 0.962) 1.193 2.898 ( 0.269 0.653 0.962) 1.193 2.972 ( 0.635 -2.784 0.050) 2.856 2.972 ( 0.635 2.784 0.050) 2.856 3.035 ( -0.110 -3.839 -1.055) 3.983 3.035 ( -0.110 3.839 -1.055) 3.983 3.062 ( 1.870 -4.076 -1.464) 4.717 3.062 ( 1.870 4.076 -1.464) 4.717 3.323 ( -1.186 -1.460 2.174) 2.875 3.323 ( -1.186 1.460 2.174) 2.875 3.474 ( 0.713 -1.723 -1.535) 2.415 3.474 ( 0.713 1.723 -1.535) 2.415 3.620 ( -1.553 -2.358 2.626) 3.856 3.620 ( -1.553 2.358 2.626) 3.856 3.755 ( -1.194 -3.868 0.912) 4.150 3.755 ( -1.194 3.868 0.912) 4.150 3.902 ( 1.065 -0.421 -1.101) 1.589 3.902 ( 1.065 0.421 -1.101) 1.589 4.585 ( -0.719 -0.051 0.163) 0.739 4.585 ( -0.719 0.051 0.163) 0.739 4.670 ( -1.998 -0.128 -1.676) 2.611 4.670 ( -1.998 0.128 -1.676) 2.611 4.720 ( 0.281 -0.877 -0.884) 1.277 4.720 ( 0.281 0.877 -0.884) 1.277 4.899 ( 1.884 -2.612 1.802) 3.691 4.899 ( 1.884 2.612 1.802) 3.691 5.171 ( 0.497 -3.106 -0.724) 3.228 5.171 ( 0.497 3.106 -0.724) 3.228 5.435 ( 0.334 -2.047 -0.168) 2.081 5.435 ( 0.334 2.047 -0.168) 2.081 5.469 ( 0.032 -3.276 0.384) 3.298 5.469 ( 0.032 3.276 0.384) 3.298 6.808 ( -1.065 -1.711 -0.613) 2.106 6.808 ( -1.065 1.711 -0.613) 2.106 6.869 ( 1.656 -1.421 -2.079) 3.014 6.869 ( 1.656 1.421 -2.079) 3.014 6.971 ( -0.001 -1.389 -0.257) 1.412 6.971 ( -0.001 1.389 -0.257) 1.412 7.028 ( 0.272 -1.749 1.068) 2.068 7.028 ( 0.272 1.749 1.068) 2.068 7.959 ( 0.251 -0.727 -0.553) 0.947 7.959 ( 0.251 0.727 -0.553) 0.947 ======================= Grid point 57 (31/66) ======================= q-point: (-0.43 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( 2.784 -5.563 4.077) 7.438 0.441 ( 2.784 5.563 4.077) 7.438 0.712 ( -0.863 -5.109 -1.989) 5.550 0.712 ( -0.863 5.109 -1.989) 5.550 0.819 ( -6.723 -3.546 -2.870) 8.125 0.819 ( -6.723 3.546 -2.870) 8.125 1.045 ( -3.636 -1.146 -2.929) 4.807 1.045 ( -3.636 1.146 -2.929) 4.807 1.089 ( 1.311 -0.929 1.118) 1.958 1.089 ( 1.311 0.929 1.118) 1.958 1.232 ( -0.632 -4.551 2.389) 5.179 1.232 ( -0.632 4.551 2.389) 5.179 1.332 ( -0.426 -2.011 2.390) 3.153 1.332 ( -0.426 2.011 2.390) 3.153 1.489 ( 1.014 -1.388 0.617) 1.826 1.489 ( 1.014 1.388 0.617) 1.826 1.578 ( -1.944 -4.992 -2.618) 5.962 1.578 ( -1.944 4.992 -2.618) 5.962 1.712 ( 3.215 -0.395 1.287) 3.486 1.712 ( 3.215 0.395 1.287) 3.486 1.833 ( -0.032 -1.234 0.825) 1.485 1.833 ( -0.032 1.234 0.825) 1.485 1.897 ( -0.009 -1.801 1.376) 2.266 1.897 ( -0.009 1.801 1.376) 2.266 2.043 ( -0.198 -2.553 -0.154) 2.566 2.043 ( -0.198 2.553 -0.154) 2.566 2.109 ( -0.618 -0.376 -2.378) 2.486 2.109 ( -0.618 0.376 -2.378) 2.486 2.169 ( -0.806 -3.177 -2.911) 4.384 2.169 ( -0.806 3.177 -2.911) 4.384 2.250 ( 1.265 -3.590 2.926) 4.801 2.250 ( 1.265 3.590 2.926) 4.801 2.332 ( 0.448 -1.416 1.459) 2.082 2.332 ( 0.448 1.416 1.459) 2.082 2.408 ( -1.267 -3.109 1.753) 3.788 2.408 ( -1.267 3.109 1.753) 3.788 2.459 ( 1.570 -6.055 1.308) 6.391 2.459 ( 1.570 6.055 1.308) 6.391 2.534 ( 0.124 -5.004 0.507) 5.031 2.534 ( 0.124 5.004 0.507) 5.031 2.669 ( 1.370 -1.397 -1.170) 2.280 2.669 ( 1.370 1.397 -1.170) 2.280 2.892 ( -1.678 -1.827 0.503) 2.531 2.892 ( -1.678 1.827 0.503) 2.531 2.956 ( -0.799 -4.291 -0.345) 4.378 2.956 ( -0.799 4.291 -0.345) 4.378 3.058 ( 2.727 -3.592 -0.236) 4.516 3.058 ( 2.727 3.592 -0.236) 4.516 3.092 ( 2.489 -3.078 -0.834) 4.045 3.092 ( 2.489 3.078 -0.834) 4.045 3.331 ( -0.617 -0.785 2.796) 2.969 3.331 ( -0.617 0.785 2.796) 2.969 3.468 ( 0.649 -0.561 -2.101) 2.270 3.468 ( 0.649 0.561 -2.101) 2.270 3.621 ( -1.442 -2.605 2.744) 4.049 3.621 ( -1.442 2.605 2.744) 4.049 3.744 ( -1.058 -2.786 0.734) 3.069 3.744 ( -1.058 2.786 0.734) 3.069 3.911 ( 1.158 -1.020 -0.913) 1.793 3.911 ( 1.158 1.020 -0.913) 1.793 4.543 ( -3.071 -0.716 -3.104) 4.425 4.543 ( -3.071 0.716 -3.104) 4.425 4.626 ( -0.506 -0.972 -0.110) 1.101 4.626 ( -0.506 0.972 -0.110) 1.101 4.742 ( 1.555 -1.323 0.038) 2.042 4.742 ( 1.555 1.323 0.038) 2.042 4.939 ( 0.631 -3.882 1.659) 4.268 4.939 ( 0.631 3.882 1.659) 4.268 5.140 ( -2.859 -2.952 -1.293) 4.309 5.140 ( -2.859 2.952 -1.293) 4.309 5.440 ( 0.164 -2.097 0.660) 2.204 5.440 ( 0.164 2.097 0.660) 2.204 5.480 ( 0.694 -1.845 0.103) 1.974 5.480 ( 0.694 1.845 0.103) 1.974 6.788 ( 0.226 -0.762 -1.609) 1.795 6.788 ( 0.226 0.762 -1.609) 1.795 6.883 ( 1.303 -1.096 -0.868) 1.911 6.883 ( 1.303 1.096 -0.868) 1.911 6.957 ( -0.484 -3.612 -1.271) 3.860 6.957 ( -0.484 3.612 -1.271) 3.860 7.046 ( 0.247 -2.096 1.869) 2.819 7.046 ( 0.247 2.096 1.869) 2.819 7.954 ( -0.083 -0.111 -0.665) 0.679 7.954 ( -0.083 0.111 -0.665) 0.679 ======================= Grid point 59 (32/66) ======================= q-point: (-0.29 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 0.635 -4.060 1.744) 4.465 0.511 ( 0.635 4.060 1.744) 4.465 0.658 ( -6.730 -5.332 -1.211) 8.671 0.658 ( -6.730 5.332 -1.211) 8.671 0.712 ( -0.400 -1.707 1.377) 2.229 0.712 ( -0.400 1.707 1.377) 2.229 0.940 ( -3.862 -3.442 -2.849) 5.906 0.940 ( -3.862 3.442 -2.849) 5.906 1.124 ( 1.120 -2.653 0.065) 2.880 1.124 ( 1.120 2.653 0.065) 2.880 1.211 ( -4.683 -6.349 1.260) 7.989 1.211 ( -4.683 6.349 1.260) 7.989 1.315 ( -2.522 -3.774 0.308) 4.550 1.315 ( -2.522 3.774 0.308) 4.550 1.521 ( 1.870 -0.933 1.764) 2.735 1.521 ( 1.870 0.933 1.764) 2.735 1.600 ( 4.485 -0.838 1.130) 4.701 1.600 ( 4.485 0.838 1.130) 4.701 1.759 ( 0.790 -1.254 -0.122) 1.487 1.759 ( 0.790 1.254 -0.122) 1.487 1.842 ( 0.049 -1.312 1.113) 1.721 1.842 ( 0.049 1.312 1.113) 1.721 1.895 ( -0.750 -1.279 0.008) 1.483 1.895 ( -0.750 1.279 0.008) 1.483 2.027 ( -0.920 -1.405 -2.554) 3.056 2.027 ( -0.920 1.405 -2.554) 3.056 2.074 ( 1.178 -1.172 -1.853) 2.489 2.074 ( 1.178 1.172 -1.853) 2.489 2.165 ( 1.656 -2.838 -0.964) 3.424 2.165 ( 1.656 2.838 -0.964) 3.424 2.279 ( -0.439 -4.279 2.432) 4.941 2.279 ( -0.439 4.279 2.432) 4.941 2.358 ( 0.134 -1.436 1.439) 2.038 2.358 ( 0.134 1.436 1.439) 2.038 2.408 ( -0.577 -1.216 1.331) 1.892 2.408 ( -0.577 1.216 1.331) 1.892 2.466 ( 0.167 -5.930 -0.610) 5.964 2.466 ( 0.167 5.930 -0.610) 5.964 2.569 ( 0.309 -2.774 2.063) 3.471 2.569 ( 0.309 2.774 2.063) 3.471 2.684 ( 3.178 -3.467 -2.034) 5.124 2.684 ( 3.178 3.467 -2.034) 5.124 2.863 ( -1.699 -2.174 -0.412) 2.790 2.863 ( -1.699 2.174 -0.412) 2.790 2.955 ( 0.332 -2.936 0.573) 3.010 2.955 ( 0.332 2.936 0.573) 3.010 3.097 ( 1.539 -4.033 -0.363) 4.331 3.097 ( 1.539 4.033 -0.363) 4.331 3.117 ( 2.566 -2.273 -1.853) 3.897 3.117 ( 2.566 2.273 -1.853) 3.897 3.357 ( 0.172 -0.539 3.663) 3.706 3.357 ( 0.172 0.539 3.663) 3.706 3.456 ( 0.704 -0.457 -2.878) 2.998 3.456 ( 0.704 0.457 -2.878) 2.998 3.619 ( -2.374 -3.712 2.939) 5.297 3.619 ( -2.374 3.712 2.939) 5.297 3.739 ( -0.245 -2.324 1.140) 2.600 3.739 ( -0.245 2.324 1.140) 2.600 3.923 ( 1.229 -1.781 -0.642) 2.257 3.923 ( 1.229 1.781 -0.642) 2.257 4.464 ( -2.870 -0.339 -1.694) 3.350 4.464 ( -2.870 0.339 -1.694) 3.350 4.629 ( 0.187 -0.843 0.242) 0.897 4.629 ( 0.187 0.843 0.242) 0.897 4.765 ( 1.166 -1.932 0.137) 2.261 4.765 ( 1.166 1.932 0.137) 2.261 4.930 ( -2.834 -3.508 -1.120) 4.647 4.930 ( -2.834 3.508 -1.120) 4.647 5.078 ( -3.311 -1.114 0.624) 3.549 5.078 ( -3.311 1.114 0.624) 3.549 5.451 ( -0.015 -2.986 1.069) 3.172 5.451 ( -0.015 2.986 1.069) 3.172 5.489 ( 0.773 -2.136 -0.660) 2.365 5.489 ( 0.773 2.136 -0.660) 2.365 6.788 ( 1.483 -1.048 -1.292) 2.229 6.788 ( 1.483 1.048 -1.292) 2.229 6.878 ( -0.238 -1.240 -2.179) 2.519 6.878 ( -0.238 1.240 -2.179) 2.519 6.950 ( 0.763 -4.452 -0.084) 4.518 6.950 ( 0.763 4.452 -0.084) 4.518 7.070 ( 0.465 -0.689 2.026) 2.190 7.070 ( 0.465 0.689 2.026) 2.190 7.945 ( -0.205 -0.898 -0.543) 1.069 7.945 ( -0.205 0.898 -0.543) 1.069 ======================= Grid point 61 (33/66) ======================= q-point: (-0.14 -0.50 0.17) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( -5.872 -5.108 0.903) 7.835 0.469 ( -5.872 5.108 0.903) 7.835 0.591 ( -2.379 -4.296 4.186) 6.453 0.591 ( -2.379 4.296 4.186) 6.453 0.759 ( 3.191 -1.155 0.621) 3.450 0.759 ( 3.191 1.155 0.621) 3.450 0.910 ( -0.266 -5.247 3.745) 6.452 0.910 ( -0.266 5.247 3.745) 6.452 1.087 ( -3.282 -5.421 -2.204) 6.710 1.087 ( -3.282 5.421 -2.204) 6.710 1.148 ( -1.797 -7.737 -1.153) 8.027 1.148 ( -1.797 7.737 -1.153) 8.027 1.300 ( -0.418 -2.539 1.117) 2.805 1.300 ( -0.418 2.539 1.117) 2.805 1.552 ( 0.179 -1.303 -3.162) 3.425 1.552 ( 0.179 1.303 -3.162) 3.425 1.652 ( 0.985 -0.529 2.253) 2.515 1.652 ( 0.985 0.529 2.253) 2.515 1.797 ( 1.621 -2.292 3.088) 4.174 1.797 ( 1.621 2.292 3.088) 4.174 1.828 ( -0.441 -2.272 -1.494) 2.755 1.828 ( -0.441 2.272 -1.494) 2.755 1.901 ( 0.862 -1.450 1.318) 2.140 1.901 ( 0.862 1.450 1.318) 2.140 2.006 ( 0.491 -2.594 -1.131) 2.872 2.006 ( 0.491 2.594 -1.131) 2.872 2.088 ( 1.718 -1.451 -0.752) 2.371 2.088 ( 1.718 1.451 -0.752) 2.371 2.179 ( 0.255 -4.172 -0.989) 4.295 2.179 ( 0.255 4.172 -0.989) 4.295 2.286 ( -0.594 -3.568 0.580) 3.663 2.286 ( -0.594 3.568 0.580) 3.663 2.339 ( -1.113 -2.007 -1.907) 2.984 2.339 ( -1.113 2.007 -1.907) 2.984 2.425 ( -0.034 -0.838 1.988) 2.157 2.425 ( -0.034 0.838 1.988) 2.157 2.486 ( 2.611 -3.009 -0.380) 4.002 2.486 ( 2.611 3.009 -0.380) 4.002 2.551 ( -2.040 -1.989 -0.312) 2.866 2.551 ( -2.040 1.989 -0.312) 2.866 2.718 ( 1.221 -3.719 -0.931) 4.023 2.718 ( 1.221 3.719 -0.931) 4.023 2.841 ( 0.340 -1.584 -1.161) 1.993 2.841 ( 0.340 1.584 -1.161) 1.993 2.965 ( -0.193 -1.368 0.281) 1.410 2.965 ( -0.193 1.368 0.281) 1.410 3.085 ( -0.471 -1.830 -3.144) 3.668 3.085 ( -0.471 1.830 -3.144) 3.668 3.147 ( 3.073 -0.252 -2.882) 4.220 3.147 ( 3.073 0.252 -2.882) 4.220 3.400 ( 0.243 -1.124 3.263) 3.460 3.400 ( 0.243 1.124 3.263) 3.460 3.433 ( 0.072 -0.621 -2.847) 2.915 3.433 ( 0.072 0.621 -2.847) 2.915 3.597 ( -3.239 -3.626 3.182) 5.811 3.597 ( -3.239 3.626 3.182) 5.811 3.764 ( 0.840 -2.208 2.338) 3.324 3.764 ( 0.840 2.208 2.338) 3.324 3.936 ( 0.941 -1.340 -0.751) 1.802 3.936 ( 0.941 1.340 -0.751) 1.802 4.446 ( -0.030 -0.820 3.885) 3.971 4.446 ( -0.030 0.820 3.885) 3.971 4.630 ( 0.222 -0.558 -0.543) 0.809 4.630 ( 0.222 0.558 -0.543) 0.809 4.777 ( -0.724 -1.626 0.743) 1.929 4.777 ( -0.724 1.626 0.743) 1.929 4.850 ( -2.905 -1.245 -1.840) 3.657 4.850 ( -2.905 1.245 -1.840) 3.657 5.048 ( -2.215 -1.487 1.161) 2.909 5.048 ( -2.215 1.487 1.161) 2.909 5.448 ( -0.665 -1.915 -0.630) 2.122 5.448 ( -0.665 1.915 -0.630) 2.122 5.502 ( 1.078 -1.248 0.323) 1.680 5.502 ( 1.078 1.248 0.323) 1.680 6.805 ( 0.855 -1.527 -0.178) 1.759 6.805 ( 0.855 1.527 -0.178) 1.759 6.854 ( 1.231 -0.641 -3.236) 3.521 6.854 ( 1.231 0.641 -3.236) 3.521 6.966 ( 0.481 -2.664 0.533) 2.759 6.966 ( 0.481 2.664 0.533) 2.759 7.091 ( -0.048 -1.201 0.795) 1.441 7.091 ( -0.048 1.201 0.795) 1.441 7.939 ( -0.011 -1.539 -0.267) 1.562 7.939 ( -0.011 1.539 -0.267) 1.562 ======================= Grid point 70 (34/66) ======================= q-point: ( 0.00 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -1.271 0.000 5.373) 5.522 0.562 ( 1.628 0.000 6.086) 6.300 0.617 ( -4.976 0.000 6.643) 8.299 0.789 ( -0.371 0.000 5.081) 5.094 0.796 ( 1.431 0.000 1.092) 1.800 0.860 ( 0.296 0.000 2.869) 2.884 0.971 ( -2.043 0.000 0.058) 2.044 1.003 ( 5.126 0.000 -1.620) 5.375 1.129 ( -2.202 0.000 4.603) 5.103 1.199 ( 3.265 0.000 1.118) 3.451 1.216 ( 1.121 0.000 14.705) 14.748 1.235 ( 4.191 0.000 4.327) 6.024 1.253 ( -1.254 0.000 -2.044) 2.398 1.301 ( -1.919 0.000 -3.738) 4.202 1.372 ( -0.572 0.000 -2.385) 2.453 1.460 ( -1.803 0.000 -4.458) 4.809 1.661 ( -3.861 0.000 -0.925) 3.970 1.702 ( 2.715 0.000 -4.440) 5.204 1.812 ( -3.082 0.000 3.367) 4.565 1.833 ( -3.019 0.000 1.407) 3.331 1.867 ( -0.463 0.000 -1.409) 1.483 1.922 ( 1.182 0.000 -1.324) 1.775 1.928 ( -0.905 0.000 2.800) 2.943 1.972 ( 0.074 0.000 -0.482) 0.488 1.981 ( -0.374 0.000 2.608) 2.635 1.994 ( -4.264 0.000 2.223) 4.809 2.032 ( 3.995 0.000 1.298) 4.201 2.109 ( -0.100 0.000 -1.732) 1.735 2.151 ( -1.441 0.000 3.604) 3.881 2.203 ( 1.103 0.000 -2.492) 2.725 2.216 ( 2.509 0.000 0.366) 2.535 2.253 ( 1.137 0.000 1.706) 2.051 2.288 ( -1.495 0.000 -1.494) 2.113 2.328 ( 1.817 0.000 -3.992) 4.385 2.339 ( -0.759 0.000 -1.195) 1.416 2.374 ( 3.166 0.000 -0.610) 3.225 2.382 ( -1.827 0.000 0.123) 1.831 2.506 ( -4.185 0.000 -1.734) 4.530 2.536 ( 1.446 0.000 -0.298) 1.476 2.575 ( -2.718 0.000 -3.265) 4.248 2.665 ( 1.974 0.000 2.246) 2.990 2.760 ( -1.387 0.000 -2.351) 2.729 2.862 ( 1.012 0.000 0.645) 1.200 2.866 ( 3.984 0.000 0.308) 3.996 2.927 ( -0.639 0.000 0.849) 1.062 2.939 ( -2.583 0.000 3.096) 4.033 2.982 ( -0.785 0.000 -0.321) 0.849 3.027 ( 1.238 0.000 -2.739) 3.006 3.029 ( -0.902 0.000 -2.468) 2.628 3.050 ( 2.512 0.000 -2.937) 3.865 3.317 ( -1.436 0.000 0.844) 1.665 3.367 ( 0.867 0.000 -1.995) 2.175 3.465 ( -0.390 0.000 -0.411) 0.567 3.478 ( 0.985 0.000 0.095) 0.989 3.558 ( 0.646 0.000 0.972) 1.167 3.591 ( -4.985 0.000 0.870) 5.060 3.862 ( 3.741 0.000 -0.233) 3.749 3.863 ( -1.614 0.000 5.190) 5.435 3.908 ( -1.609 0.000 -2.398) 2.888 3.939 ( -2.745 0.000 0.855) 2.875 4.570 ( -0.189 0.000 2.703) 2.709 4.632 ( -0.200 0.000 -0.928) 0.950 4.680 ( -3.134 0.000 1.833) 3.631 4.690 ( 1.428 0.000 2.548) 2.921 4.742 ( 1.319 0.000 -0.029) 1.319 4.823 ( 3.310 0.000 1.089) 3.484 4.832 ( 1.406 0.000 -0.421) 1.468 4.855 ( 2.800 0.000 1.001) 2.973 4.977 ( 0.999 0.000 0.841) 1.306 5.096 ( -3.786 0.000 -3.093) 4.888 5.385 ( -0.240 0.000 -0.004) 0.240 5.386 ( 0.469 0.000 0.400) 0.617 5.461 ( -0.315 0.000 -0.486) 0.580 5.632 ( 2.191 0.000 -6.197) 6.573 6.735 ( -2.306 0.000 -1.337) 2.666 6.765 ( 2.756 0.000 -1.650) 3.212 6.843 ( 0.537 0.000 2.126) 2.193 6.915 ( 4.331 0.000 0.626) 4.375 6.969 ( 0.205 0.000 -0.563) 0.599 6.988 ( -5.168 0.000 -0.982) 5.260 7.007 ( -2.265 0.000 0.104) 2.267 7.033 ( 0.749 0.000 -0.528) 0.916 7.929 ( 0.912 0.000 0.693) 1.145 7.953 ( -0.191 0.000 -0.939) 0.958 ======================= Grid point 71 (35/66) ======================= q-point: ( 0.14 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -10.854 0.000 5.665) 12.244 0.604 ( 0.459 0.000 0.002) 0.459 0.689 ( 4.097 0.000 1.599) 4.398 0.793 ( -2.992 0.000 2.535) 3.922 0.868 ( 2.521 0.000 8.153) 8.534 0.900 ( -1.203 0.000 -3.652) 3.845 0.955 ( 4.818 0.000 2.086) 5.250 1.075 ( 3.997 0.000 -1.117) 4.150 1.113 ( -1.634 0.000 2.474) 2.965 1.197 ( -2.603 0.000 0.858) 2.741 1.233 ( -2.532 0.000 -3.000) 3.926 1.276 ( 3.827 0.000 0.450) 3.854 1.341 ( 4.207 0.000 -0.963) 4.315 1.343 ( -2.486 0.000 -0.682) 2.578 1.393 ( -0.269 0.000 5.964) 5.970 1.417 ( 2.533 0.000 2.892) 3.844 1.585 ( -3.706 0.000 0.341) 3.722 1.656 ( -3.907 0.000 -4.200) 5.736 1.755 ( -4.540 0.000 -1.224) 4.702 1.763 ( -0.784 0.000 3.027) 3.127 1.901 ( -0.107 0.000 2.320) 2.323 1.914 ( 0.077 0.000 -1.930) 1.932 1.940 ( -0.208 0.000 1.501) 1.515 1.949 ( -1.625 0.000 3.090) 3.491 1.999 ( 0.120 0.000 0.480) 0.495 2.021 ( 0.702 0.000 3.892) 3.955 2.084 ( 0.782 0.000 1.016) 1.282 2.123 ( 0.730 0.000 1.765) 1.910 2.161 ( -1.441 0.000 -5.333) 5.524 2.184 ( -0.094 0.000 3.326) 3.327 2.215 ( -5.674 0.000 -2.726) 6.295 2.220 ( -0.020 0.000 -1.032) 1.032 2.275 ( -1.833 0.000 1.211) 2.198 2.300 ( 2.244 0.000 0.583) 2.319 2.317 ( 2.498 0.000 -3.677) 4.445 2.408 ( 2.790 0.000 0.590) 2.852 2.429 ( 2.592 0.000 -2.613) 3.680 2.464 ( -0.834 0.000 0.057) 0.836 2.503 ( -1.214 0.000 -1.952) 2.299 2.553 ( -0.049 0.000 1.606) 1.607 2.718 ( -0.619 0.000 -3.309) 3.367 2.731 ( 3.238 0.000 2.792) 4.275 2.847 ( -1.364 0.000 -2.533) 2.877 2.905 ( -1.105 0.000 0.663) 1.289 2.929 ( -0.248 0.000 1.562) 1.582 2.939 ( -0.124 0.000 1.258) 1.264 2.974 ( 0.373 0.000 1.335) 1.386 2.998 ( 0.772 0.000 -2.173) 2.306 3.058 ( 3.543 0.000 -0.770) 3.626 3.073 ( 3.642 0.000 -3.786) 5.253 3.310 ( -0.797 0.000 1.096) 1.355 3.362 ( 0.277 0.000 -0.895) 0.937 3.452 ( -1.083 0.000 0.451) 1.173 3.494 ( 1.485 0.000 -1.149) 1.877 3.540 ( -2.471 0.000 1.517) 2.899 3.576 ( -0.454 0.000 2.054) 2.104 3.791 ( -5.947 0.000 0.228) 5.951 3.879 ( -1.698 0.000 -0.424) 1.750 3.933 ( 1.057 0.000 1.798) 2.086 3.936 ( 1.521 0.000 1.583) 2.195 4.600 ( 0.979 0.000 1.939) 2.172 4.631 ( 1.036 0.000 -0.946) 1.403 4.645 ( -2.703 0.000 1.314) 3.005 4.709 ( -1.225 0.000 2.958) 3.202 4.768 ( 0.752 0.000 -0.100) 0.759 4.794 ( -3.774 0.000 -2.182) 4.360 4.842 ( 0.961 0.000 -0.099) 0.966 4.847 ( -1.683 0.000 -2.952) 3.398 5.060 ( 2.160 0.000 -2.146) 3.045 5.103 ( 8.080 0.000 2.917) 8.590 5.381 ( -0.236 0.000 -0.000) 0.236 5.395 ( 0.371 0.000 -0.055) 0.376 5.463 ( 0.070 0.000 1.480) 1.482 5.591 ( 0.507 0.000 -6.152) 6.173 6.691 ( -1.795 0.000 -0.255) 1.813 6.774 ( -0.884 0.000 -1.797) 2.003 6.856 ( 0.584 0.000 1.763) 1.857 6.932 ( -2.121 0.000 -2.690) 3.426 6.960 ( 0.828 0.000 0.804) 1.154 6.986 ( -0.641 0.000 1.513) 1.644 7.002 ( 4.050 0.000 0.551) 4.088 7.037 ( 0.520 0.000 -0.776) 0.934 7.941 ( -0.294 0.000 -0.788) 0.842 7.950 ( 1.065 0.000 0.070) 1.067 ======================= Grid point 72 (36/66) ======================= q-point: ( 0.29 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.370 ( -5.791 0.000 7.530) 9.499 0.594 ( 1.545 0.000 -4.039) 4.324 0.771 ( -0.263 0.000 -0.571) 0.629 0.777 ( 5.347 0.000 1.344) 5.513 0.864 ( -0.078 0.000 -2.578) 2.579 0.997 ( 3.599 0.000 7.071) 7.934 1.037 ( 1.118 0.000 4.826) 4.953 1.050 ( -1.953 0.000 -4.387) 4.802 1.103 ( -1.122 0.000 -2.467) 2.710 1.202 ( 1.255 0.000 -1.924) 2.297 1.203 ( -2.799 0.000 2.319) 3.635 1.289 ( 0.030 0.000 0.539) 0.540 1.290 ( 0.113 0.000 -3.128) 3.130 1.373 ( 1.826 0.000 -0.670) 1.945 1.433 ( -0.605 0.000 -2.013) 2.102 1.456 ( 2.684 0.000 6.832) 7.341 1.525 ( -3.004 0.000 -2.995) 4.242 1.592 ( -2.184 0.000 0.668) 2.283 1.701 ( -4.128 0.000 2.584) 4.870 1.746 ( -5.567 0.000 1.278) 5.711 1.897 ( -1.738 0.000 1.995) 2.646 1.938 ( 0.524 0.000 1.208) 1.317 1.944 ( -1.012 0.000 0.702) 1.232 1.971 ( 1.885 0.000 4.788) 5.146 1.994 ( -0.020 0.000 -0.230) 0.230 2.052 ( -1.797 0.000 2.498) 3.077 2.070 ( -4.044 0.000 1.940) 4.485 2.087 ( -1.126 0.000 -4.684) 4.818 2.119 ( -2.506 0.000 -2.237) 3.359 2.131 ( 0.216 0.000 1.413) 1.429 2.209 ( 0.160 0.000 -1.879) 1.886 2.241 ( 4.698 0.000 2.801) 5.469 2.309 ( 0.221 0.000 -4.133) 4.139 2.315 ( 1.276 0.000 0.333) 1.318 2.346 ( 4.157 0.000 0.605) 4.201 2.375 ( -1.613 0.000 -2.651) 3.104 2.466 ( 1.366 0.000 3.080) 3.369 2.472 ( 0.541 0.000 0.429) 0.691 2.520 ( 3.270 0.000 -1.557) 3.621 2.571 ( -0.102 0.000 2.754) 2.756 2.677 ( -0.656 0.000 -3.160) 3.228 2.804 ( -0.786 0.000 -2.292) 2.423 2.806 ( 2.021 0.000 2.123) 2.931 2.860 ( -3.692 0.000 -1.443) 3.964 2.917 ( -1.016 0.000 -0.691) 1.229 2.938 ( -0.542 0.000 1.262) 1.374 3.012 ( 1.760 0.000 1.994) 2.660 3.024 ( 1.959 0.000 -0.268) 1.978 3.093 ( 3.176 0.000 -3.412) 4.661 3.115 ( 3.633 0.000 -0.222) 3.640 3.308 ( -0.816 0.000 1.472) 1.683 3.363 ( 0.159 0.000 0.418) 0.447 3.441 ( -1.160 0.000 1.383) 1.805 3.505 ( 1.780 0.000 -2.093) 2.747 3.533 ( -0.448 0.000 1.310) 1.385 3.575 ( -1.941 0.000 1.925) 2.733 3.716 ( -3.388 0.000 0.940) 3.516 3.846 ( -1.613 0.000 -0.422) 1.667 3.951 ( -0.393 0.000 1.147) 1.213 3.964 ( -0.110 0.000 1.073) 1.079 4.613 ( -1.639 0.000 -0.695) 1.781 4.620 ( -1.399 0.000 1.001) 1.720 4.642 ( 1.210 0.000 -0.961) 1.545 4.682 ( -4.445 0.000 -3.383) 5.585 4.729 ( -1.269 0.000 1.339) 1.845 4.729 ( -0.615 0.000 -1.238) 1.382 4.860 ( 1.069 0.000 0.099) 1.074 4.869 ( 5.140 0.000 -1.179) 5.273 5.082 ( 1.328 0.000 0.241) 1.349 5.228 ( 4.165 0.000 1.563) 4.449 5.377 ( -0.182 0.000 -0.107) 0.212 5.396 ( 0.021 0.000 -0.449) 0.449 5.488 ( 0.323 0.000 2.802) 2.821 5.551 ( 0.615 0.000 -3.965) 4.013 6.681 ( 0.056 0.000 1.251) 1.252 6.729 ( -1.634 0.000 -1.718) 2.371 6.867 ( -2.081 0.000 -3.278) 3.883 6.890 ( 1.002 0.000 0.817) 1.293 6.973 ( -1.294 0.000 0.246) 1.318 6.990 ( 1.511 0.000 0.671) 1.653 7.037 ( 0.694 0.000 -1.129) 1.326 7.075 ( 2.909 0.000 1.374) 3.217 7.933 ( 0.132 0.000 -0.476) 0.494 7.960 ( 0.486 0.000 -0.704) 0.856 ======================= Grid point 73 (37/66) ======================= q-point: (-0.57 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -0.177 0.000 6.939) 6.942 0.597 ( 2.940 0.000 -2.972) 4.181 0.776 ( -0.056 0.000 -5.648) 5.648 0.814 ( -1.678 0.000 1.321) 2.135 0.820 ( -3.635 0.000 0.135) 3.638 0.998 ( -1.289 0.000 1.053) 1.664 1.066 ( 3.436 0.000 -4.515) 5.674 1.103 ( 1.435 0.000 1.234) 1.892 1.110 ( -1.722 0.000 8.223) 8.402 1.163 ( -0.159 0.000 1.572) 1.580 1.175 ( -1.009 0.000 -1.623) 1.911 1.224 ( -1.796 0.000 -4.574) 4.914 1.370 ( 3.711 0.000 2.458) 4.451 1.380 ( 1.223 0.000 -5.829) 5.956 1.405 ( -1.290 0.000 1.341) 1.861 1.476 ( -0.342 0.000 0.675) 0.757 1.594 ( 2.779 0.000 9.643) 10.036 1.601 ( 2.040 0.000 1.833) 2.742 1.616 ( -8.281 0.000 -0.735) 8.314 1.665 ( -1.433 0.000 1.219) 1.882 1.881 ( -3.937 0.000 0.929) 4.045 1.926 ( -1.392 0.000 0.819) 1.615 1.931 ( -0.080 0.000 1.920) 1.921 1.981 ( -1.628 0.000 0.186) 1.639 2.011 ( -3.226 0.000 1.756) 3.673 2.020 ( 0.938 0.000 -4.905) 4.994 2.052 ( -1.814 0.000 1.305) 2.235 2.062 ( -1.004 0.000 0.229) 1.030 2.112 ( 2.258 0.000 0.271) 2.274 2.132 ( -0.793 0.000 -0.679) 1.044 2.183 ( -0.420 0.000 -3.342) 3.368 2.282 ( 1.097 0.000 3.621) 3.784 2.310 ( 0.144 0.000 -1.248) 1.257 2.336 ( 3.180 0.000 -0.570) 3.231 2.389 ( 3.708 0.000 -1.420) 3.970 2.418 ( 3.023 0.000 1.160) 3.238 2.491 ( 1.247 0.000 1.588) 2.019 2.495 ( -1.164 0.000 2.971) 3.191 2.564 ( 3.881 0.000 -1.345) 4.107 2.591 ( -1.218 0.000 2.627) 2.895 2.642 ( 0.084 0.000 -2.669) 2.670 2.761 ( -4.323 0.000 -2.971) 5.245 2.780 ( 0.043 0.000 -1.763) 1.763 2.803 ( -3.183 0.000 -0.805) 3.283 2.933 ( -1.120 0.000 0.714) 1.328 2.941 ( 3.327 0.000 0.164) 3.331 3.034 ( 0.165 0.000 -0.803) 0.820 3.049 ( 0.833 0.000 0.814) 1.165 3.123 ( 2.986 0.000 -0.903) 3.119 3.158 ( 1.253 0.000 0.046) 1.254 3.315 ( -0.181 0.000 1.833) 1.842 3.370 ( -0.066 0.000 0.633) 0.636 3.445 ( 0.441 0.000 0.775) 0.891 3.519 ( 2.744 0.000 -2.472) 3.693 3.539 ( -0.902 0.000 2.153) 2.334 3.554 ( -2.242 0.000 1.281) 2.582 3.704 ( -0.340 0.000 2.437) 2.461 3.817 ( -1.235 0.000 -0.864) 1.507 3.952 ( -2.077 0.000 0.360) 2.108 3.952 ( 0.197 0.000 0.042) 0.202 4.549 ( -2.668 0.000 -2.759) 3.838 4.572 ( -3.599 0.000 -4.377) 5.667 4.615 ( -0.773 0.000 1.268) 1.485 4.651 ( 0.892 0.000 -0.755) 1.168 4.729 ( -0.572 0.000 1.171) 1.304 4.744 ( 1.827 0.000 0.101) 1.830 4.874 ( 0.347 0.000 0.198) 0.400 4.936 ( 4.181 0.000 -2.744) 5.001 5.118 ( 1.319 0.000 3.714) 3.941 5.264 ( -0.752 0.000 0.428) 0.865 5.373 ( -0.078 0.000 -0.348) 0.357 5.385 ( -0.720 0.000 -0.635) 0.960 5.516 ( 0.134 0.000 2.051) 2.055 5.539 ( 1.034 0.000 -1.475) 1.801 6.700 ( 0.123 0.000 -1.537) 1.542 6.713 ( 1.427 0.000 2.281) 2.691 6.812 ( -0.458 0.000 -3.315) 3.346 6.888 ( -1.418 0.000 -0.638) 1.555 6.952 ( -1.416 0.000 0.006) 1.416 7.013 ( 1.765 0.000 -1.763) 2.495 7.048 ( 0.774 0.000 1.515) 1.701 7.115 ( 0.679 0.000 0.794) 1.044 7.937 ( 0.749 0.000 -0.268) 0.795 7.952 ( -0.378 0.000 -1.021) 1.089 ======================= Grid point 74 (38/66) ======================= q-point: (-0.43 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -0.285 0.000 3.651) 3.662 0.625 ( -1.133 0.000 -6.717) 6.812 0.640 ( -3.888 0.000 2.264) 4.499 0.732 ( -5.932 0.000 2.910) 6.608 0.846 ( -1.680 0.000 4.857) 5.139 0.929 ( -6.956 0.000 -2.105) 7.267 1.080 ( -4.267 0.000 -3.151) 5.305 1.091 ( -2.047 0.000 3.071) 3.691 1.132 ( 2.155 0.000 -0.840) 2.313 1.148 ( 2.177 0.000 1.949) 2.922 1.169 ( 1.117 0.000 0.146) 1.127 1.235 ( -1.455 0.000 0.246) 1.475 1.297 ( -10.090 0.000 -1.374) 10.183 1.400 ( 4.596 0.000 -1.274) 4.770 1.453 ( 4.001 0.000 1.727) 4.358 1.489 ( 2.348 0.000 0.827) 2.489 1.579 ( 2.538 0.000 1.028) 2.738 1.638 ( -0.198 0.000 -1.235) 1.251 1.689 ( 3.336 0.000 4.563) 5.652 1.702 ( -1.231 0.000 4.321) 4.493 1.811 ( -4.499 0.000 2.025) 4.934 1.912 ( -1.949 0.000 0.529) 2.020 1.948 ( -2.007 0.000 0.740) 2.139 1.961 ( 2.199 0.000 -0.124) 2.202 1.992 ( -0.592 0.000 -1.644) 1.747 2.000 ( 0.453 0.000 3.312) 3.343 2.036 ( -0.775 0.000 0.035) 0.776 2.074 ( 3.022 0.000 -1.164) 3.239 2.104 ( -0.038 0.000 -2.805) 2.805 2.110 ( 0.481 0.000 -0.899) 1.019 2.180 ( 1.353 0.000 1.195) 1.805 2.276 ( -1.987 0.000 -2.527) 3.214 2.340 ( -0.655 0.000 -2.455) 2.541 2.364 ( 1.967 0.000 1.170) 2.289 2.418 ( 0.363 0.000 0.371) 0.519 2.458 ( -0.172 0.000 0.799) 0.817 2.487 ( -0.728 0.000 0.200) 0.755 2.546 ( 2.175 0.000 3.280) 3.936 2.579 ( -1.533 0.000 0.565) 1.634 2.619 ( 3.446 0.000 -0.925) 3.568 2.661 ( 4.841 0.000 0.202) 4.845 2.673 ( -3.896 0.000 -2.065) 4.409 2.745 ( -1.705 0.000 -1.003) 1.978 2.772 ( 1.037 0.000 -1.468) 1.797 2.914 ( -1.611 0.000 -0.034) 1.611 2.991 ( 3.284 0.000 -1.780) 3.736 3.024 ( -0.946 0.000 0.318) 0.998 3.052 ( -0.739 0.000 -0.033) 0.740 3.150 ( -1.607 0.000 -0.552) 1.699 3.156 ( 0.913 0.000 -0.050) 0.914 3.334 ( 0.539 0.000 1.389) 1.490 3.370 ( 0.072 0.000 -0.388) 0.395 3.460 ( 0.627 0.000 -0.439) 0.765 3.534 ( -1.307 0.000 0.880) 1.576 3.543 ( 2.573 0.000 -2.694) 3.725 3.558 ( 0.661 0.000 3.621) 3.681 3.735 ( 0.550 0.000 2.963) 3.014 3.791 ( -0.958 0.000 -0.871) 1.295 3.918 ( -1.801 0.000 0.530) 1.877 3.963 ( 1.384 0.000 -0.515) 1.477 4.489 ( -2.784 0.000 -1.887) 3.363 4.497 ( -1.377 0.000 -0.681) 1.536 4.617 ( -0.338 0.000 0.898) 0.959 4.658 ( 0.764 0.000 -0.714) 1.046 4.733 ( -0.040 0.000 0.703) 0.704 4.772 ( 1.715 0.000 -0.400) 1.761 4.872 ( -0.871 0.000 -0.014) 0.871 4.938 ( 0.308 0.000 -4.109) 4.120 5.190 ( 1.725 0.000 4.729) 5.034 5.217 ( -4.931 0.000 -0.153) 4.933 5.367 ( -0.572 0.000 -0.381) 0.687 5.370 ( 0.158 0.000 -0.289) 0.329 5.525 ( -0.448 0.000 0.207) 0.493 5.552 ( 1.026 0.000 0.431) 1.113 6.705 ( 1.652 0.000 -0.656) 1.778 6.740 ( 0.963 0.000 -1.225) 1.559 6.818 ( 2.850 0.000 0.949) 3.004 6.841 ( -2.321 0.000 -2.197) 3.196 6.927 ( -1.757 0.000 0.045) 1.757 7.017 ( 1.427 0.000 -2.584) 2.952 7.088 ( 1.263 0.000 3.034) 3.287 7.115 ( -0.913 0.000 -0.157) 0.926 7.932 ( -0.938 0.000 -0.656) 1.145 7.949 ( 1.009 0.000 -0.373) 1.076 ======================= Grid point 75 (39/66) ======================= q-point: (-0.29 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -3.772 0.000 5.406) 6.592 0.470 ( -9.699 0.000 4.176) 10.560 0.704 ( 4.471 0.000 1.365) 4.675 0.716 ( -1.031 0.000 4.730) 4.841 0.784 ( -6.952 0.000 -2.586) 7.417 0.847 ( -5.870 0.000 10.273) 11.832 0.982 ( -2.068 0.000 -3.974) 4.480 0.994 ( -11.408 0.000 2.083) 11.596 1.144 ( -4.768 0.000 3.679) 6.022 1.174 ( 2.235 0.000 -1.493) 2.688 1.191 ( -3.546 0.000 1.814) 3.983 1.193 ( 0.930 0.000 1.611) 1.860 1.275 ( 7.618 0.000 -3.694) 8.466 1.367 ( -3.012 0.000 -3.682) 4.757 1.510 ( 1.479 0.000 -1.184) 1.895 1.557 ( -2.174 0.000 -7.212) 7.533 1.605 ( 4.764 0.000 2.545) 5.401 1.637 ( 2.680 0.000 2.750) 3.840 1.744 ( 0.684 0.000 1.252) 1.427 1.756 ( 4.569 0.000 3.278) 5.624 1.814 ( -0.732 0.000 5.477) 5.526 1.877 ( -3.695 0.000 2.296) 4.350 1.920 ( -0.670 0.000 0.709) 0.976 1.961 ( -0.605 0.000 0.548) 0.816 2.002 ( -2.558 0.000 0.669) 2.644 2.029 ( -0.974 0.000 -1.084) 1.457 2.040 ( 3.692 0.000 0.378) 3.712 2.112 ( 1.280 0.000 0.560) 1.397 2.130 ( 5.720 0.000 -0.710) 5.764 2.145 ( 4.269 0.000 -0.685) 4.324 2.209 ( -3.502 0.000 -0.953) 3.629 2.232 ( 2.289 0.000 2.285) 3.234 2.296 ( -1.514 0.000 -3.067) 3.420 2.359 ( 0.588 0.000 -3.566) 3.614 2.396 ( -4.002 0.000 -3.370) 5.232 2.398 ( -2.709 0.000 0.092) 2.711 2.506 ( 1.652 0.000 -1.300) 2.102 2.545 ( -3.344 0.000 -1.304) 3.589 2.603 ( -1.310 0.000 -0.444) 1.383 2.614 ( 2.594 0.000 0.957) 2.764 2.641 ( -0.878 0.000 1.160) 1.455 2.744 ( 1.583 0.000 0.501) 1.660 2.755 ( 3.290 0.000 1.173) 3.493 2.804 ( 4.243 0.000 -0.079) 4.243 2.884 ( -1.028 0.000 -0.748) 1.272 2.991 ( -1.829 0.000 -0.098) 1.832 3.025 ( -2.393 0.000 -0.220) 2.404 3.029 ( 1.833 0.000 -1.254) 2.221 3.111 ( -1.508 0.000 -1.747) 2.308 3.139 ( -2.327 0.000 -0.854) 2.479 3.350 ( 0.087 0.000 0.613) 0.619 3.368 ( 0.648 0.000 -1.249) 1.407 3.462 ( 0.460 0.000 -0.234) 0.516 3.519 ( -2.826 0.000 0.833) 2.946 3.539 ( 1.465 0.000 -3.136) 3.461 3.631 ( 3.576 0.000 3.107) 4.737 3.763 ( -0.257 0.000 2.068) 2.084 3.775 ( 0.633 0.000 -0.956) 1.147 3.926 ( 1.047 0.000 2.174) 2.413 3.980 ( 0.781 0.000 -0.196) 0.805 4.466 ( 0.245 0.000 3.065) 3.075 4.499 ( 0.503 0.000 2.838) 2.882 4.622 ( 0.339 0.000 0.465) 0.575 4.663 ( 0.560 0.000 -0.738) 0.926 4.737 ( 0.064 0.000 -0.286) 0.293 4.789 ( 0.578 0.000 -0.594) 0.829 4.844 ( -1.746 0.000 -0.915) 1.971 4.883 ( -2.583 0.000 -2.741) 3.767 5.119 ( -6.166 0.000 -0.228) 6.170 5.232 ( -1.010 0.000 1.956) 2.201 5.364 ( 0.129 0.000 0.307) 0.333 5.377 ( 0.612 0.000 0.366) 0.713 5.508 ( -0.923 0.000 -1.228) 1.536 5.581 ( 1.810 0.000 0.912) 2.027 6.737 ( 2.011 0.000 0.555) 2.086 6.748 ( 2.552 0.000 -2.472) 3.553 6.786 ( -0.946 0.000 -2.634) 2.799 6.887 ( 2.909 0.000 2.347) 3.738 6.895 ( -2.299 0.000 0.176) 2.306 7.017 ( 1.180 0.000 -1.721) 2.086 7.088 ( -1.684 0.000 -0.743) 1.841 7.131 ( 0.981 0.000 0.726) 1.221 7.915 ( -0.755 0.000 0.092) 0.761 7.959 ( 0.806 0.000 -0.651) 1.036 ======================= Grid point 76 (40/66) ======================= q-point: (-0.14 0.00 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -0.291 0.000 9.991) 9.996 0.469 ( -1.250 0.000 8.017) 8.114 0.679 ( -6.463 0.000 3.578) 7.387 0.758 ( 0.769 0.000 2.911) 3.011 0.772 ( 1.712 0.000 -0.616) 1.820 0.872 ( -4.066 0.000 1.245) 4.252 0.895 ( -2.779 0.000 17.366) 17.586 0.957 ( 2.139 0.000 -2.123) 3.013 1.109 ( -4.418 0.000 5.186) 6.813 1.148 ( -0.596 0.000 1.322) 1.450 1.196 ( -2.584 0.000 1.931) 3.226 1.197 ( 0.872 0.000 -1.185) 1.471 1.292 ( -1.464 0.000 -3.220) 3.538 1.338 ( 3.429 0.000 -4.377) 5.560 1.445 ( -2.883 0.000 -5.902) 6.568 1.498 ( 0.021 0.000 -2.174) 2.174 1.684 ( 1.754 0.000 0.758) 1.911 1.706 ( 1.922 0.000 -0.037) 1.922 1.754 ( 1.800 0.000 0.394) 1.843 1.844 ( -1.241 0.000 2.019) 2.370 1.864 ( 0.830 0.000 4.251) 4.331 1.871 ( 3.405 0.000 2.663) 4.323 1.946 ( 0.106 0.000 3.921) 3.922 1.962 ( -2.326 0.000 0.904) 2.496 1.963 ( 0.136 0.000 0.588) 0.603 2.001 ( -0.682 0.000 -1.242) 1.417 2.071 ( -3.270 0.000 0.429) 3.298 2.133 ( 2.936 0.000 2.449) 3.823 2.154 ( -1.825 0.000 0.232) 1.840 2.179 ( -1.638 0.000 -4.545) 4.831 2.200 ( 2.973 0.000 -2.112) 3.647 2.241 ( -0.005 0.000 -1.056) 1.056 2.282 ( 3.812 0.000 -1.391) 4.058 2.328 ( 0.193 0.000 -1.559) 1.571 2.339 ( -1.096 0.000 -2.192) 2.451 2.362 ( 0.156 0.000 -0.786) 0.801 2.452 ( -4.844 0.000 -0.594) 4.880 2.519 ( 1.683 0.000 -2.113) 2.701 2.599 ( -4.753 0.000 0.086) 4.754 2.619 ( 1.202 0.000 1.953) 2.293 2.629 ( 0.316 0.000 -3.434) 3.448 2.794 ( -0.494 0.000 1.174) 1.273 2.796 ( 3.789 0.000 0.631) 3.841 2.831 ( 0.825 0.000 -0.310) 0.881 2.910 ( 2.799 0.000 0.258) 2.811 2.958 ( -2.829 0.000 1.963) 3.444 2.986 ( -1.954 0.000 0.924) 2.161 3.041 ( 1.635 0.000 -2.369) 2.878 3.069 ( -0.746 0.000 -3.815) 3.888 3.081 ( -2.803 0.000 -1.528) 3.192 3.342 ( -1.661 0.000 0.138) 1.666 3.369 ( 1.158 0.000 -1.945) 2.264 3.469 ( 0.353 0.000 -0.239) 0.427 3.476 ( -1.483 0.000 0.094) 1.486 3.544 ( 0.808 0.000 -0.447) 0.923 3.664 ( -1.811 0.000 -1.821) 2.568 3.797 ( 1.028 0.000 5.774) 5.865 3.803 ( 3.375 0.000 -0.445) 3.404 3.958 ( -0.230 0.000 1.377) 1.396 3.970 ( -1.881 0.000 -0.972) 2.117 4.547 ( -0.164 0.000 4.235) 4.238 4.573 ( 6.997 0.000 4.865) 8.522 4.654 ( -0.554 0.000 -1.240) 1.358 4.659 ( 3.172 0.000 2.727) 4.183 4.732 ( 0.314 0.000 -0.709) 0.775 4.766 ( -1.492 0.000 -0.438) 1.555 4.826 ( 1.088 0.000 -1.709) 2.026 4.829 ( -1.988 0.000 0.865) 2.168 5.026 ( -4.959 0.000 -0.012) 4.959 5.191 ( -4.327 0.000 -0.923) 4.424 5.374 ( 0.434 0.000 0.584) 0.728 5.387 ( 0.111 0.000 0.143) 0.181 5.479 ( -0.761 0.000 -1.485) 1.669 5.623 ( 3.568 0.000 -2.253) 4.220 6.749 ( 0.869 0.000 -1.644) 1.860 6.767 ( 1.322 0.000 -2.171) 2.542 6.798 ( 2.398 0.000 1.156) 2.662 6.869 ( -0.007 0.000 0.230) 0.230 6.945 ( 1.696 0.000 1.741) 2.430 7.023 ( 1.086 0.000 -0.941) 1.437 7.049 ( -2.143 0.000 -0.841) 2.302 7.100 ( -4.015 0.000 -2.753) 4.868 7.913 ( 0.090 0.000 0.690) 0.696 7.961 ( 0.304 0.000 -0.879) 0.930 ======================= Grid point 77 (41/66) ======================= q-point: ( 0.00 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.052 -1.717 6.998) 7.206 0.571 ( -3.743 -1.373 4.022) 5.663 0.664 ( -3.530 4.011 3.931) 6.633 0.767 ( -3.847 -1.065 5.250) 6.595 0.792 ( 5.760 -2.002 0.241) 6.102 0.832 ( -0.324 0.139 5.242) 5.254 0.972 ( 0.488 1.862 0.414) 1.969 1.025 ( 0.466 -1.959 0.297) 2.036 1.090 ( -0.093 -0.558 -2.037) 2.114 1.143 ( -0.463 -5.865 4.758) 7.567 1.190 ( 4.936 -0.252 3.359) 5.976 1.241 ( -1.629 -1.593 2.221) 3.182 1.280 ( 2.375 0.678 -1.676) 2.985 1.321 ( -0.144 2.463 4.311) 4.967 1.367 ( -0.082 0.774 -0.849) 1.152 1.482 ( -1.994 1.250 -0.715) 2.460 1.660 ( -3.093 1.587 -0.410) 3.501 1.715 ( 1.601 1.554 -3.621) 4.253 1.789 ( -3.493 -1.985 3.641) 5.422 1.847 ( -4.424 -1.055 -2.741) 5.310 1.871 ( 3.202 -1.241 0.869) 3.543 1.901 ( 0.974 -3.317 0.601) 3.509 1.947 ( -0.841 2.817 1.059) 3.125 1.954 ( -0.008 0.266 1.666) 1.687 2.002 ( 1.033 -0.207 2.653) 2.854 2.014 ( -1.969 1.553 2.592) 3.607 2.040 ( 0.759 2.479 -0.809) 2.716 2.095 ( 1.279 -1.229 0.450) 1.830 2.149 ( -1.106 1.763 -1.928) 2.837 2.174 ( 0.170 -2.805 0.969) 2.972 2.232 ( 1.577 1.518 -0.398) 2.225 2.264 ( -3.277 -0.278 0.230) 3.297 2.278 ( 0.096 -1.540 -2.718) 3.126 2.329 ( -0.032 2.433 -2.133) 3.236 2.374 ( 1.337 2.213 -0.833) 2.716 2.385 ( 2.425 -0.175 -0.377) 2.461 2.413 ( 0.401 2.773 -1.434) 3.147 2.496 ( -3.135 -0.723 -1.332) 3.482 2.499 ( 0.620 -2.670 -0.981) 2.911 2.547 ( 0.679 -2.623 -4.113) 4.925 2.686 ( 1.732 1.433 1.429) 2.664 2.763 ( -1.609 -0.767 -2.377) 2.971 2.821 ( 2.093 -2.526 1.154) 3.477 2.842 ( 0.045 -1.342 1.960) 2.375 2.911 ( -2.146 0.394 -2.209) 3.105 2.955 ( -1.460 -1.294 0.333) 1.979 2.982 ( 0.292 0.508 0.503) 0.772 3.002 ( 0.816 0.030 -1.543) 1.746 3.056 ( -0.040 1.836 -2.643) 3.218 3.085 ( 1.921 1.092 -2.845) 3.602 3.344 ( -1.385 2.146 0.793) 2.674 3.386 ( 1.072 1.352 -1.516) 2.297 3.443 ( -1.459 -1.072 0.967) 2.052 3.476 ( 0.768 -0.779 -0.491) 1.199 3.589 ( -0.496 3.970 3.049) 5.030 3.658 ( -2.349 4.641 0.175) 5.205 3.820 ( 0.567 -2.759 3.102) 4.190 3.869 ( -0.711 -1.254 0.679) 1.594 3.894 ( 0.114 -0.652 -1.389) 1.539 3.924 ( -2.462 -1.268 0.100) 2.771 4.576 ( -0.264 0.566 2.279) 2.363 4.615 ( -0.545 -1.263 -0.147) 1.383 4.687 ( -1.101 0.129 2.808) 3.019 4.689 ( 0.284 0.056 3.123) 3.136 4.753 ( 1.180 1.174 0.070) 1.666 4.813 ( 1.465 -1.210 -0.710) 2.029 4.836 ( 3.258 0.772 1.575) 3.700 4.859 ( 3.035 0.107 0.330) 3.055 4.980 ( 0.067 0.497 0.244) 0.558 5.060 ( -3.435 -2.992 -1.921) 4.944 5.401 ( -0.016 1.191 -0.055) 1.193 5.406 ( -0.155 2.046 0.271) 2.070 5.454 ( -0.146 -0.439 -1.064) 1.161 5.578 ( 1.148 -4.622 -4.110) 6.291 6.743 ( -1.218 0.678 -1.766) 2.250 6.766 ( 2.369 -0.065 -1.998) 3.099 6.855 ( 1.578 1.113 1.959) 2.751 6.905 ( 3.487 -0.911 1.053) 3.755 6.967 ( -0.098 0.032 -0.275) 0.294 6.982 ( -2.899 -0.532 -0.948) 3.096 7.028 ( -2.212 1.349 -0.775) 2.704 7.039 ( -0.847 0.507 -0.782) 1.259 7.931 ( 0.747 0.244 0.443) 0.902 7.948 ( -0.032 -0.458 -0.709) 0.845 ======================= Grid point 78 (42/66) ======================= q-point: ( 0.14 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -9.548 1.483 5.460) 11.098 0.576 ( -0.147 -2.661 2.085) 3.384 0.690 ( 2.264 0.178 -0.222) 2.282 0.774 ( 0.575 -1.553 3.585) 3.949 0.877 ( -0.242 -0.889 6.729) 6.792 0.907 ( 4.896 0.246 0.434) 4.921 0.947 ( -0.937 2.821 -0.450) 3.006 1.027 ( -2.400 -5.616 2.367) 6.550 1.096 ( 2.575 -0.192 -3.118) 4.048 1.139 ( -1.432 -6.083 -1.252) 6.373 1.194 ( -1.925 -0.549 1.374) 2.428 1.277 ( 2.947 -2.450 0.057) 3.833 1.317 ( 3.113 1.826 -0.762) 3.688 1.374 ( 2.503 -1.465 0.945) 3.050 1.406 ( -2.204 2.772 1.471) 3.835 1.463 ( -0.667 1.404 5.215) 5.442 1.587 ( -4.394 2.671 -2.066) 5.542 1.707 ( -0.170 3.881 -2.186) 4.458 1.724 ( -3.296 -1.978 0.462) 3.871 1.786 ( -1.930 1.434 1.378) 2.772 1.906 ( 0.314 -3.019 0.460) 3.070 1.933 ( -0.183 -0.939 0.612) 1.136 1.957 ( -1.870 1.769 1.392) 2.926 1.966 ( 0.178 2.385 1.854) 3.026 1.990 ( 0.116 1.388 2.877) 3.196 2.030 ( -0.676 1.202 2.373) 2.745 2.061 ( -0.660 -1.128 -0.343) 1.351 2.116 ( -0.286 -2.504 0.190) 2.527 2.137 ( 0.531 0.067 0.497) 0.730 2.194 ( -1.220 2.302 -2.929) 3.920 2.198 ( 1.560 -3.731 0.986) 4.163 2.214 ( 0.239 0.433 -1.178) 1.278 2.278 ( -0.907 0.986 -0.292) 1.371 2.316 ( 0.074 1.352 -0.697) 1.523 2.337 ( -0.818 1.924 -1.855) 2.795 2.402 ( 0.131 0.424 -0.761) 0.881 2.441 ( 1.412 -1.479 0.470) 2.098 2.479 ( 0.587 -1.665 -0.880) 1.972 2.505 ( 0.357 2.628 -2.762) 3.829 2.524 ( 1.991 -1.808 -0.659) 2.769 2.707 ( -1.724 -1.208 -2.655) 3.388 2.736 ( 1.971 -0.476 1.787) 2.703 2.851 ( -1.199 -0.216 -1.677) 2.073 2.863 ( 0.505 -0.840 1.377) 1.690 2.883 ( 2.726 -2.561 1.122) 3.905 2.955 ( 0.798 -1.855 0.847) 2.190 2.982 ( -0.271 0.762 -0.524) 0.964 3.005 ( -0.266 2.175 -0.660) 2.288 3.041 ( 1.635 -0.170 -2.017) 2.602 3.094 ( 2.248 0.020 -2.615) 3.448 3.332 ( -1.285 1.881 1.227) 2.587 3.389 ( 1.004 1.669 -1.295) 2.338 3.427 ( -2.012 -1.243 1.760) 2.948 3.484 ( 0.918 -0.623 -0.811) 1.374 3.606 ( -1.502 4.732 3.296) 5.959 3.630 ( -1.000 4.964 0.050) 5.064 3.789 ( -4.374 -0.356 0.729) 4.449 3.872 ( -1.833 -0.312 -0.455) 1.914 3.888 ( 1.023 -3.864 1.461) 4.256 3.923 ( 0.863 -1.679 1.187) 2.230 4.599 ( 0.636 -0.101 1.481) 1.615 4.612 ( 0.009 -0.957 0.064) 0.959 4.669 ( -1.672 1.397 1.204) 2.489 4.705 ( -1.379 -0.422 2.848) 3.192 4.783 ( 0.836 1.444 0.219) 1.683 4.802 ( -3.710 0.786 -2.474) 4.528 4.839 ( 0.514 -0.535 -0.308) 0.803 4.840 ( -1.575 -0.697 -2.727) 3.225 5.051 ( 3.444 -0.454 -1.100) 3.644 5.086 ( 7.570 -1.473 2.234) 8.029 5.398 ( -0.197 1.434 -0.116) 1.452 5.410 ( 0.381 1.700 -0.069) 1.743 5.452 ( 0.075 -0.993 0.989) 1.403 5.547 ( 0.345 -3.868 -4.267) 5.770 6.715 ( -0.310 2.252 -0.979) 2.475 6.788 ( 1.628 0.542 -2.112) 2.721 6.863 ( -1.555 0.979 0.829) 2.016 6.924 ( -1.731 -0.881 -2.529) 3.189 6.953 ( 0.524 -0.332 1.165) 1.320 6.983 ( 1.400 -1.053 1.066) 2.050 7.005 ( 0.484 0.800 0.432) 1.030 7.035 ( 0.280 -0.214 -0.081) 0.362 7.941 ( -0.063 0.036 -0.660) 0.664 7.947 ( 0.897 -0.220 -0.055) 0.925 ======================= Grid point 79 (43/66) ======================= q-point: ( 0.29 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -5.998 2.306 6.427) 9.088 0.571 ( -1.005 -3.402 -0.297) 3.560 0.711 ( 1.415 -1.140 -1.761) 2.531 0.817 ( 1.808 -0.170 -2.027) 2.721 0.891 ( 0.203 0.547 -0.354) 0.682 0.952 ( 0.125 -1.764 4.310) 4.659 0.991 ( -0.622 -3.665 3.073) 4.823 1.006 ( 1.208 -1.452 -0.670) 2.004 1.068 ( -0.027 -3.870 -4.967) 6.297 1.163 ( 5.410 -3.044 1.573) 6.403 1.211 ( -2.778 0.850 3.560) 4.595 1.287 ( -0.280 1.255 0.135) 1.293 1.336 ( 0.775 1.696 -3.505) 3.970 1.387 ( 1.053 0.809 0.408) 1.389 1.413 ( 1.518 -0.995 -0.995) 2.069 1.457 ( -3.794 -2.649 1.982) 5.034 1.545 ( 0.453 5.287 3.100) 6.145 1.659 ( -1.713 3.512 -1.121) 4.065 1.710 ( -4.068 1.460 1.574) 4.599 1.755 ( -4.270 0.320 1.097) 4.420 1.891 ( -2.417 -1.438 1.320) 3.107 1.907 ( -3.533 -2.108 0.461) 4.139 1.936 ( 0.620 -1.504 1.528) 2.232 1.976 ( -0.614 -0.826 1.639) 1.935 2.016 ( -0.563 2.112 -1.370) 2.580 2.025 ( -0.210 -0.676 0.264) 0.755 2.058 ( 0.650 2.669 2.285) 3.573 2.121 ( 0.531 0.672 -1.421) 1.659 2.158 ( -0.694 3.352 0.033) 3.423 2.163 ( -1.585 -0.249 2.385) 2.875 2.209 ( -0.751 1.017 -3.097) 3.345 2.237 ( 1.605 -3.524 -0.518) 3.907 2.262 ( 4.039 2.022 0.342) 4.530 2.322 ( 1.281 0.068 -0.439) 1.356 2.356 ( 1.820 0.580 0.481) 1.970 2.399 ( 0.187 1.154 0.678) 1.351 2.445 ( -0.829 0.393 -1.228) 1.533 2.476 ( 2.170 -1.672 -0.104) 2.742 2.493 ( -0.111 -2.256 0.419) 2.298 2.576 ( 2.935 0.615 0.186) 3.004 2.654 ( -1.546 -2.224 -2.533) 3.708 2.761 ( -0.995 -4.572 0.771) 4.742 2.847 ( 1.939 4.158 -1.537) 4.839 2.876 ( -0.485 1.101 0.683) 1.383 2.911 ( -0.458 0.012 0.361) 0.584 2.963 ( -0.284 2.166 -0.232) 2.197 2.992 ( 2.634 -1.884 -0.199) 3.245 3.011 ( 0.500 -0.327 1.879) 1.972 3.060 ( 2.668 -2.401 -2.150) 4.183 3.103 ( 1.138 -1.757 -1.520) 2.587 3.325 ( -1.133 1.573 1.543) 2.478 3.396 ( 0.843 2.504 -0.689) 2.731 3.415 ( -1.457 -2.023 1.999) 3.196 3.488 ( 0.474 -0.942 -1.043) 1.484 3.600 ( -1.922 5.028 2.142) 5.793 3.626 ( -0.029 4.071 0.299) 4.082 3.738 ( -2.870 2.014 1.471) 3.802 3.838 ( -1.735 -0.799 -0.170) 1.917 3.911 ( 0.239 -3.470 0.823) 3.574 3.939 ( -0.366 -2.485 0.951) 2.686 4.606 ( -1.146 -0.452 -0.133) 1.239 4.610 ( -0.837 -0.642 0.537) 1.183 4.656 ( -0.460 1.035 -1.732) 2.070 4.685 ( -3.679 0.058 -2.754) 4.596 4.724 ( -1.149 -0.123 0.208) 1.174 4.734 ( -1.727 -0.042 -0.523) 1.805 4.845 ( 2.264 0.223 -0.028) 2.275 4.889 ( 4.185 0.232 0.071) 4.192 5.093 ( 1.832 1.322 -0.132) 2.263 5.199 ( 3.919 -2.643 0.992) 4.830 5.394 ( -0.174 1.585 -0.141) 1.601 5.415 ( 0.359 1.678 -0.202) 1.727 5.474 ( 0.335 -1.345 2.377) 2.752 5.521 ( 0.647 -2.638 -2.651) 3.795 6.718 ( 1.061 3.500 0.326) 3.671 6.760 ( -1.526 2.846 -2.110) 3.857 6.861 ( -2.090 -0.833 -3.159) 3.879 6.872 ( 1.447 -2.095 -0.152) 2.551 6.976 ( -1.432 0.104 0.159) 1.445 6.980 ( 1.178 -0.727 0.431) 1.450 7.029 ( 0.470 -0.362 0.234) 0.638 7.063 ( 1.928 -1.117 1.637) 2.765 7.936 ( 0.219 0.347 -0.504) 0.650 7.955 ( 0.469 -0.423 -0.666) 0.918 ======================= Grid point 80 (44/66) ======================= q-point: (-0.57 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.391 ( -0.726 0.597 5.151) 5.236 0.556 ( 0.368 -4.335 -1.427) 4.579 0.713 ( 0.316 -3.148 -3.115) 4.440 0.798 ( -0.751 -4.176 1.258) 4.426 0.844 ( -5.085 1.849 -0.430) 5.428 0.974 ( 0.176 -0.574 0.532) 0.802 0.988 ( -1.351 -4.253 -3.452) 5.641 1.043 ( 2.897 -4.131 0.269) 5.053 1.102 ( 4.840 -0.959 0.839) 5.005 1.175 ( -5.206 -1.160 1.277) 5.484 1.199 ( -3.207 2.678 0.835) 4.260 1.264 ( 1.506 3.241 -0.820) 3.667 1.350 ( 3.597 -1.578 0.987) 4.050 1.392 ( 0.373 -0.752 -2.857) 2.978 1.438 ( 1.284 2.116 1.245) 2.770 1.486 ( 1.788 0.098 5.275) 5.571 1.564 ( -5.201 1.603 1.582) 5.668 1.626 ( -1.086 2.180 -1.834) 3.049 1.660 ( -3.077 1.445 1.725) 3.812 1.695 ( 0.598 2.154 4.474) 5.001 1.852 ( -2.262 -1.912 -0.669) 3.036 1.896 ( -0.344 -0.738 3.305) 3.404 1.944 ( -1.752 -3.260 0.561) 3.743 1.974 ( -1.970 1.590 1.027) 2.732 2.005 ( -0.842 -1.816 0.386) 2.039 2.034 ( 0.739 2.139 -0.191) 2.271 2.074 ( -1.358 2.037 -5.206) 5.753 2.093 ( 1.216 0.393 2.202) 2.546 2.101 ( -3.162 2.196 -2.650) 4.673 2.173 ( 0.595 -0.984 -2.542) 2.790 2.182 ( 0.002 3.087 0.230) 3.095 2.270 ( 2.336 -0.006 3.093) 3.876 2.323 ( 0.504 1.125 -1.461) 1.912 2.355 ( 3.588 0.493 0.945) 3.743 2.385 ( 1.042 0.110 0.860) 1.356 2.420 ( 0.884 1.224 0.583) 1.619 2.446 ( 0.570 -2.811 2.355) 3.711 2.503 ( 1.306 -1.860 0.247) 2.286 2.519 ( 1.990 -1.154 0.608) 2.379 2.604 ( 0.351 0.596 -0.454) 0.827 2.620 ( 0.286 -3.025 -2.059) 3.670 2.729 ( -2.757 -3.514 -0.680) 4.518 2.837 ( -0.409 4.729 -1.996) 5.149 2.850 ( -1.779 4.922 -1.567) 5.463 2.917 ( 0.083 0.099 1.598) 1.603 2.983 ( 2.335 2.269 -0.282) 3.268 3.021 ( 0.614 -1.527 -1.085) 1.971 3.027 ( 0.043 -1.575 1.340) 2.068 3.090 ( 2.669 -3.037 -0.669) 4.098 3.111 ( 1.080 -3.747 -0.260) 3.908 3.330 ( -0.066 1.532 1.764) 2.337 3.395 ( -0.961 1.919 0.624) 2.235 3.423 ( 0.969 -1.989 0.411) 2.251 3.479 ( -0.284 -1.703 -1.207) 2.107 3.595 ( -1.249 4.564 2.307) 5.264 3.629 ( 0.418 4.369 -0.255) 4.397 3.725 ( -1.286 2.000 2.673) 3.578 3.812 ( -1.025 -0.605 -0.553) 1.313 3.919 ( 0.531 -2.822 0.007) 2.871 3.928 ( -1.526 -2.244 0.274) 2.727 4.549 ( -2.756 0.070 -2.872) 3.981 4.564 ( -3.212 -0.621 -3.693) 4.934 4.624 ( -0.762 0.611 0.490) 1.093 4.645 ( 0.207 -0.458 -0.432) 0.663 4.727 ( -0.439 -0.170 0.984) 1.091 4.741 ( 1.727 -0.611 0.112) 1.836 4.876 ( 1.175 1.348 0.583) 1.881 4.956 ( 3.788 0.370 -1.483) 4.085 5.114 ( 0.251 0.519 1.916) 2.001 5.230 ( -0.616 -3.135 -0.066) 3.195 5.391 ( -0.052 2.134 0.098) 2.137 5.418 ( 0.104 2.299 -0.093) 2.303 5.498 ( 0.160 -1.748 1.684) 2.432 5.518 ( 0.909 -1.922 -0.852) 2.290 6.724 ( -0.186 2.158 -1.975) 2.932 6.749 ( 0.947 3.136 1.151) 3.472 6.810 ( 0.389 -0.207 -3.034) 3.066 6.884 ( -0.270 -0.738 -0.341) 0.857 6.947 ( -1.756 -0.288 -0.449) 1.835 6.991 ( 1.270 -2.100 -2.136) 3.254 7.048 ( 0.491 0.264 2.325) 2.391 7.097 ( 0.531 -1.587 1.150) 2.031 7.939 ( 0.585 0.206 -0.383) 0.728 7.950 ( -0.213 -0.232 -0.915) 0.968 ======================= Grid point 81 (45/66) ======================= q-point: (-0.43 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 0.876 -0.959 1.834) 2.248 0.560 ( 2.052 -5.090 -3.657) 6.594 0.646 ( -5.390 0.169 2.320) 5.870 0.742 ( -6.381 2.128 1.791) 6.961 0.847 ( -0.270 -3.374 4.174) 5.374 0.913 ( -4.113 0.992 -2.945) 5.155 0.963 ( -1.755 -8.212 1.775) 8.583 1.040 ( -3.342 -3.763 -3.618) 6.198 1.118 ( 1.336 -1.556 0.698) 2.167 1.136 ( 1.769 -1.266 0.476) 2.227 1.203 ( -2.255 3.983 3.209) 5.590 1.297 ( -2.232 1.073 -3.160) 4.015 1.319 ( -6.638 3.300 0.595) 7.437 1.387 ( 1.894 -1.293 -0.793) 2.426 1.477 ( 1.883 1.911 2.239) 3.494 1.519 ( 3.543 2.622 2.281) 4.963 1.568 ( 2.201 -1.796 2.822) 4.004 1.601 ( -0.786 -1.644 -1.317) 2.248 1.691 ( 2.543 2.157 5.246) 6.216 1.778 ( 0.428 3.529 2.201) 4.181 1.813 ( -2.761 -0.197 1.104) 2.980 1.890 ( -1.806 -1.040 0.271) 2.102 1.932 ( 0.785 -0.905 1.192) 1.690 1.965 ( -2.696 -1.547 0.293) 3.122 1.983 ( 0.457 -1.823 0.712) 2.010 2.002 ( -2.041 2.352 -1.510) 3.461 2.022 ( -0.603 -0.024 -2.573) 2.642 2.072 ( 2.695 -0.105 -1.403) 3.040 2.117 ( 0.563 1.096 -0.578) 1.361 2.151 ( 0.659 1.338 -2.067) 2.549 2.203 ( 0.920 2.593 1.665) 3.216 2.295 ( -0.450 1.884 -2.632) 3.268 2.352 ( 2.684 -0.923 2.357) 3.689 2.367 ( -2.229 2.310 -0.943) 3.346 2.399 ( 0.506 -1.371 -0.283) 1.489 2.439 ( 0.542 -0.550 0.614) 0.987 2.488 ( -1.488 -3.538 3.301) 5.063 2.531 ( 1.332 0.858 -0.834) 1.791 2.546 ( 1.889 -0.308 1.489) 2.425 2.597 ( 0.468 -2.392 -2.019) 3.165 2.641 ( 3.505 -1.860 0.726) 4.033 2.667 ( -2.240 -1.516 -2.236) 3.509 2.813 ( -1.083 4.218 -0.913) 4.450 2.824 ( 0.865 5.559 -1.322) 5.779 2.926 ( -0.385 1.042 0.657) 1.291 2.999 ( 0.243 -0.549 -1.689) 1.793 3.023 ( 0.833 0.871 -0.430) 1.279 3.035 ( 0.259 -1.656 0.491) 1.746 3.107 ( -0.185 -2.343 -0.488) 2.400 3.137 ( 1.949 -2.867 -0.719) 3.541 3.354 ( 0.869 1.717 1.541) 2.466 3.381 ( -0.687 1.067 -0.265) 1.297 3.441 ( 0.298 -1.443 -0.149) 1.481 3.467 ( 0.811 -3.372 -0.541) 3.510 3.591 ( -1.797 4.392 1.854) 5.094 3.647 ( 2.009 4.495 0.138) 4.926 3.736 ( -0.851 0.174 2.842) 2.972 3.795 ( -0.582 0.061 -0.185) 0.614 3.901 ( -1.300 -1.332 0.109) 1.864 3.937 ( 1.614 -2.368 -0.360) 2.888 4.487 ( -2.495 -0.118 -1.581) 2.956 4.494 ( -1.528 -0.305 -0.928) 1.813 4.623 ( -0.438 0.566 0.728) 1.021 4.649 ( 0.383 -0.693 -0.041) 0.793 4.731 ( 0.242 0.125 0.380) 0.467 4.769 ( 1.939 -0.937 -0.641) 2.247 4.888 ( -0.649 2.268 0.631) 2.442 4.959 ( -0.408 1.141 -3.700) 3.894 5.147 ( 0.160 -2.665 3.842) 4.678 5.186 ( -4.023 -2.727 -0.453) 4.881 5.396 ( 0.342 2.820 0.521) 2.888 5.415 ( -0.100 3.201 -0.467) 3.237 5.507 ( -0.233 -1.778 0.254) 1.811 5.530 ( 0.752 -2.081 0.373) 2.244 6.720 ( 1.410 1.302 -1.045) 2.185 6.749 ( 0.748 0.434 -2.043) 2.219 6.837 ( 1.902 1.622 0.563) 2.563 6.856 ( -0.746 1.636 -1.353) 2.250 6.914 ( -2.032 -1.061 -0.196) 2.301 6.992 ( 1.535 -2.466 -2.108) 3.589 7.084 ( 0.947 -0.261 2.556) 2.739 7.103 ( -0.565 -1.008 0.303) 1.195 7.934 ( -0.670 0.203 -0.616) 0.933 7.946 ( 0.709 -0.263 -0.417) 0.864 ======================= Grid point 82 (46/66) ======================= q-point: (-0.29 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -3.638 0.599 4.700) 5.973 0.512 ( -2.608 3.916 1.866) 5.061 0.654 ( 1.493 -3.930 2.169) 4.731 0.706 ( 0.136 -0.266 1.615) 1.642 0.795 ( -5.943 -0.197 3.260) 6.781 0.866 ( -2.953 -1.684 0.428) 3.426 0.921 ( -5.227 -1.247 5.296) 7.545 1.028 ( -0.409 -1.491 0.805) 1.744 1.110 ( -5.050 -1.874 0.092) 5.387 1.123 ( -3.888 0.173 3.800) 5.440 1.156 ( -0.461 -1.278 -2.303) 2.674 1.228 ( 0.904 1.328 -0.986) 1.885 1.306 ( 0.326 0.565 -0.039) 0.654 1.350 ( -2.625 -1.982 -2.615) 4.203 1.503 ( -0.722 0.472 -1.598) 1.816 1.571 ( -0.854 0.238 -2.279) 2.445 1.626 ( 3.791 1.815 1.611) 4.502 1.645 ( 3.252 0.547 2.658) 4.235 1.749 ( 1.554 1.524 0.675) 2.279 1.785 ( 2.331 1.602 3.962) 4.869 1.801 ( -1.034 -0.389 1.521) 1.880 1.888 ( -0.484 0.517 1.648) 1.794 1.923 ( -2.336 -1.075 0.447) 2.610 1.944 ( -1.580 -2.250 0.078) 2.750 1.978 ( 1.537 -1.018 1.884) 2.636 2.010 ( 0.807 1.675 -0.605) 1.956 2.037 ( 0.814 -2.180 2.180) 3.189 2.101 ( 1.603 -1.741 -0.747) 2.481 2.114 ( 1.772 -0.301 -1.926) 2.634 2.173 ( 3.292 2.319 -0.847) 4.115 2.238 ( 0.709 1.112 1.711) 2.160 2.277 ( 0.631 2.702 -2.216) 3.551 2.300 ( -2.881 3.307 -1.545) 4.651 2.371 ( -0.554 -0.272 -1.274) 1.416 2.389 ( -1.751 0.371 -1.775) 2.521 2.434 ( -2.076 1.018 -1.461) 2.735 2.461 ( 0.415 -3.255 -0.286) 3.294 2.518 ( -0.478 -0.495 -3.066) 3.142 2.571 ( -1.061 -4.019 -2.348) 4.774 2.605 ( 0.187 -1.508 2.994) 3.358 2.624 ( 1.248 1.192 -0.493) 1.795 2.739 ( 4.128 -2.293 1.150) 4.861 2.799 ( 0.108 2.875 0.171) 2.882 2.834 ( 0.877 3.510 -0.612) 3.670 2.917 ( -0.564 1.612 -0.461) 1.769 2.987 ( -0.621 0.707 0.329) 0.997 3.016 ( -0.048 -0.559 -1.728) 1.817 3.048 ( 0.661 1.240 -0.668) 1.556 3.088 ( -0.139 -1.192 -2.035) 2.362 3.133 ( -1.085 -1.480 -1.721) 2.516 3.370 ( 0.034 1.251 -0.155) 1.261 3.377 ( 0.584 1.496 -0.369) 1.648 3.440 ( 0.393 -1.746 0.098) 1.792 3.485 ( 0.623 -3.257 -0.389) 3.339 3.577 ( -1.490 4.305 1.425) 4.773 3.688 ( 2.352 3.810 0.341) 4.490 3.744 ( -1.368 -1.661 2.858) 3.578 3.793 ( 0.718 1.287 0.176) 1.484 3.906 ( 1.091 -1.578 1.147) 2.236 3.958 ( 0.966 -2.131 -0.246) 2.352 4.470 ( 0.465 0.463 3.039) 3.109 4.495 ( 0.740 -0.445 2.844) 2.972 4.620 ( -0.237 0.072 0.041) 0.252 4.652 ( -0.110 -1.045 -0.184) 1.067 4.741 ( 0.777 0.827 -0.194) 1.151 4.792 ( 1.794 -0.666 -1.058) 2.187 4.860 ( -3.170 1.902 -0.050) 3.697 4.892 ( -3.345 0.627 -2.807) 4.411 5.106 ( -4.874 -0.890 -0.040) 4.955 5.171 ( -1.669 -4.248 2.824) 5.367 5.405 ( -0.035 2.839 0.248) 2.850 5.410 ( 0.265 2.966 -0.503) 3.020 5.495 ( -0.582 -1.198 -1.168) 1.771 5.551 ( 1.229 -2.787 0.715) 3.129 6.746 ( 2.272 0.810 -0.266) 2.427 6.759 ( 2.710 0.602 -1.585) 3.196 6.797 ( -1.392 1.205 -2.696) 3.264 6.875 ( -2.072 -1.819 -0.524) 2.807 6.906 ( 2.353 1.878 2.023) 3.627 7.001 ( 1.263 -1.711 -1.109) 2.398 7.087 ( -1.079 0.104 -0.410) 1.159 7.118 ( 0.732 -1.094 0.662) 1.473 7.921 ( -0.546 0.579 -0.011) 0.796 7.952 ( 0.558 -0.680 -0.538) 1.031 ======================= Grid point 83 (47/66) ======================= q-point: (-0.14 0.25 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -2.558 0.955 8.385) 8.818 0.544 ( 0.250 4.603 5.619) 7.268 0.704 ( -0.539 -1.945 3.111) 3.708 0.719 ( 1.317 -0.686 -0.229) 1.502 0.782 ( -3.374 1.390 2.666) 4.519 0.799 ( -2.092 -3.120 4.928) 6.196 0.944 ( -1.055 4.128 5.575) 7.017 1.020 ( 0.169 2.292 2.910) 3.708 1.074 ( -0.846 -2.976 4.031) 5.082 1.112 ( -0.813 -2.353 -1.558) 2.937 1.119 ( -3.216 -2.808 5.065) 6.625 1.235 ( 0.484 0.310 -0.799) 0.985 1.283 ( -0.250 -1.393 -2.562) 2.927 1.329 ( 0.355 -0.828 -0.950) 1.309 1.434 ( -2.792 0.001 -4.952) 5.685 1.515 ( -1.696 0.439 -1.922) 2.601 1.679 ( 1.324 0.951 0.353) 1.668 1.713 ( 1.280 0.757 1.751) 2.297 1.783 ( -1.845 -1.962 2.850) 3.921 1.815 ( 3.705 2.799 -0.145) 4.645 1.862 ( 3.254 -0.257 0.600) 3.319 1.906 ( -1.250 -3.869 2.097) 4.575 1.920 ( -0.308 1.558 1.449) 2.150 1.934 ( 1.117 -0.787 3.671) 3.917 1.990 ( -2.173 -0.369 0.090) 2.206 2.012 ( 0.621 3.248 -0.502) 3.345 2.062 ( 0.653 -4.093 0.468) 4.171 2.099 ( -2.079 2.130 -0.062) 2.977 2.148 ( 2.287 -1.628 0.487) 2.850 2.194 ( 0.996 1.375 -0.774) 1.866 2.215 ( -2.647 1.759 -3.314) 4.592 2.266 ( 2.486 -1.317 -0.811) 2.928 2.308 ( -1.055 2.428 -1.815) 3.210 2.323 ( 2.272 1.519 -1.577) 3.156 2.357 ( 0.045 0.914 -0.671) 1.135 2.394 ( -2.186 1.740 -0.596) 2.857 2.441 ( -0.737 1.106 -2.884) 3.175 2.500 ( 1.486 -1.780 -2.814) 3.647 2.543 ( -0.693 -4.292 -1.097) 4.484 2.593 ( -2.379 -2.602 -1.044) 3.677 2.651 ( 1.517 1.655 0.325) 2.268 2.776 ( 0.956 -2.167 -0.021) 2.369 2.811 ( 0.136 0.287 -0.450) 0.551 2.833 ( -1.066 0.612 1.468) 1.915 2.919 ( 1.432 2.336 -0.408) 2.770 2.982 ( -0.841 1.243 0.102) 1.505 2.990 ( -1.842 -0.149 0.310) 1.874 3.028 ( -0.702 -0.508 -3.235) 3.349 3.081 ( 1.387 0.530 -2.695) 3.077 3.088 ( -1.035 0.478 -2.139) 2.424 3.362 ( -1.037 1.635 -0.068) 1.937 3.381 ( 1.049 1.089 -1.200) 1.931 3.451 ( 0.167 -1.074 0.251) 1.116 3.475 ( -0.609 -1.013 -0.163) 1.193 3.575 ( -0.642 3.514 1.785) 3.993 3.695 ( -1.184 2.230 -1.140) 2.771 3.770 ( 0.817 -1.245 3.822) 4.101 3.829 ( 2.357 1.413 1.480) 3.121 3.928 ( -0.326 -2.448 -0.016) 2.470 3.954 ( -0.950 -1.652 -0.535) 1.979 4.552 ( 0.668 0.496 4.678) 4.751 4.574 ( 5.692 0.033 5.412) 7.854 4.629 ( 0.657 -1.386 -0.128) 1.539 4.645 ( 1.041 -1.309 1.224) 2.073 4.753 ( 0.818 1.738 -0.215) 1.933 4.790 ( -1.555 1.661 -0.771) 2.403 4.815 ( -0.264 -0.874 -0.683) 1.140 4.830 ( -1.178 -0.142 -0.123) 1.193 5.032 ( -4.309 0.792 0.030) 4.381 5.139 ( -4.191 -4.038 0.510) 5.842 5.402 ( -0.060 2.467 -0.248) 2.480 5.409 ( -0.281 1.819 0.094) 1.843 5.472 ( -0.402 -0.555 -1.690) 1.824 5.578 ( 2.010 -3.974 -1.450) 4.683 6.761 ( 0.248 1.048 -1.832) 2.125 6.773 ( 1.053 0.416 -2.538) 2.779 6.802 ( 2.604 0.481 1.091) 2.864 6.854 ( 0.864 -1.364 0.409) 1.666 6.952 ( 1.206 0.784 1.305) 1.942 7.007 ( 0.213 -1.441 -0.449) 1.524 7.061 ( -1.288 1.094 -1.083) 2.007 7.100 ( -2.413 -0.291 -2.004) 3.150 7.919 ( 0.099 0.607 0.456) 0.766 7.953 ( 0.247 -0.767 -0.653) 1.037 ======================= Grid point 84 (48/66) ======================= q-point: ( 0.00 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( -2.032 -2.680 5.310) 6.286 0.515 ( -2.032 2.680 5.310) 6.286 0.730 ( -4.736 -2.511 1.705) 5.625 0.730 ( -4.736 2.511 1.705) 5.625 0.814 ( 2.288 -2.783 4.783) 5.989 0.814 ( 2.288 2.783 4.783) 5.989 1.002 ( 0.624 -3.717 1.778) 4.167 1.002 ( 0.624 3.717 1.778) 4.167 1.070 ( 0.435 -4.092 -0.316) 4.127 1.070 ( 0.435 4.092 -0.316) 4.127 1.205 ( 0.255 -1.729 0.807) 1.925 1.205 ( 0.255 1.729 0.807) 1.925 1.298 ( 2.211 -1.890 -2.157) 3.621 1.298 ( 2.211 1.890 -2.157) 3.621 1.456 ( -1.168 -4.382 5.030) 6.772 1.456 ( -1.168 4.382 5.030) 6.772 1.718 ( -1.896 -2.700 0.861) 3.409 1.718 ( -1.896 2.700 0.861) 3.409 1.803 ( -0.314 -3.822 1.725) 4.205 1.803 ( -0.314 3.822 1.725) 4.205 1.832 ( -0.757 -1.552 -3.785) 4.160 1.832 ( -0.757 1.552 -3.785) 4.160 1.969 ( 1.011 -0.671 2.867) 3.113 1.969 ( 1.011 0.671 2.867) 3.113 2.018 ( 0.880 -1.712 0.816) 2.091 2.018 ( 0.880 1.712 0.816) 2.091 2.102 ( 0.671 -4.042 0.791) 4.173 2.102 ( 0.671 4.042 0.791) 4.173 2.136 ( -2.869 -3.204 -0.595) 4.342 2.136 ( -2.869 3.204 -0.595) 4.342 2.252 ( 0.111 -1.045 -0.972) 1.432 2.252 ( 0.111 1.045 -0.972) 1.432 2.317 ( 1.483 -4.262 -0.696) 4.566 2.317 ( 1.483 4.262 -0.696) 4.566 2.384 ( -1.579 -1.208 -1.756) 2.653 2.384 ( -1.579 1.208 -1.756) 2.653 2.467 ( -0.787 -1.371 -2.113) 2.639 2.467 ( -0.787 1.371 -2.113) 2.639 2.497 ( 3.122 -1.689 -2.912) 4.591 2.497 ( 3.122 1.689 -2.912) 4.591 2.716 ( 0.980 -2.278 -0.166) 2.485 2.716 ( 0.980 2.278 -0.166) 2.485 2.820 ( -0.858 -1.120 0.616) 1.539 2.820 ( -0.858 1.120 0.616) 1.539 2.927 ( -2.132 -1.180 -1.701) 2.972 2.927 ( -2.132 1.180 -1.701) 2.972 2.997 ( 0.760 -0.666 -0.031) 1.011 2.997 ( 0.760 0.666 -0.031) 1.011 3.085 ( 1.026 -0.899 -2.934) 3.236 3.085 ( 1.026 0.899 -2.934) 3.236 3.383 ( -0.667 -1.564 0.059) 1.702 3.383 ( -0.667 1.564 0.059) 1.702 3.452 ( -0.066 -1.495 0.513) 1.581 3.452 ( -0.066 1.495 0.513) 1.581 3.681 ( -0.537 -3.764 3.374) 5.083 3.681 ( -0.537 3.764 3.374) 5.083 3.812 ( -1.039 -3.153 0.122) 3.322 3.812 ( -1.039 3.153 0.122) 3.322 3.900 ( -0.780 -0.931 -0.617) 1.362 3.900 ( -0.780 0.931 -0.617) 1.362 4.592 ( -0.465 -1.043 1.152) 1.622 4.592 ( -0.465 1.043 1.152) 1.622 4.688 ( -0.096 -0.125 3.785) 3.789 4.688 ( -0.096 0.125 3.785) 3.789 4.783 ( 1.075 -1.705 -0.009) 2.015 4.783 ( 1.075 1.705 -0.009) 2.015 4.853 ( 3.485 -0.707 0.522) 3.594 4.853 ( 3.485 0.707 0.522) 3.594 5.005 ( -2.047 -2.139 -0.791) 3.065 5.005 ( -2.047 2.139 -0.791) 3.065 5.424 ( -0.378 -0.859 0.290) 0.982 5.424 ( -0.378 0.859 0.290) 0.982 5.485 ( 0.288 -4.104 -2.356) 4.741 5.485 ( 0.288 4.104 -2.356) 4.741 6.758 ( 0.906 -0.706 -2.224) 2.503 6.758 ( 0.906 0.706 -2.224) 2.503 6.882 ( 2.661 -1.398 1.634) 3.421 6.882 ( 2.661 1.398 1.634) 3.421 6.972 ( -1.161 -0.416 -0.498) 1.330 6.972 ( -1.161 0.416 -0.498) 1.330 7.044 ( -1.790 -0.226 -1.087) 2.106 7.044 ( -1.790 0.226 -1.087) 2.106 7.938 ( 0.353 -0.496 -0.141) 0.625 7.938 ( 0.353 0.496 -0.141) 0.625 ======================= Grid point 86 (49/66) ======================= q-point: ( 0.14 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -4.828 -3.308 4.513) 7.390 0.513 ( -4.828 3.308 4.513) 7.390 0.718 ( 2.486 -3.008 0.910) 4.007 0.718 ( 2.486 3.008 0.910) 4.007 0.891 ( 1.330 -3.000 4.967) 5.954 0.891 ( 1.330 3.000 4.967) 5.954 1.001 ( -2.273 -4.732 1.147) 5.374 1.001 ( -2.273 4.732 1.147) 5.374 1.045 ( -1.371 -4.965 -3.270) 6.101 1.045 ( -1.371 4.965 -3.270) 6.101 1.229 ( 3.055 -2.776 0.799) 4.204 1.229 ( 3.055 2.776 0.799) 4.204 1.342 ( 3.954 -1.342 -0.928) 4.278 1.342 ( 3.954 1.342 -0.928) 4.278 1.455 ( -4.523 -1.821 3.569) 6.042 1.455 ( -4.523 1.821 3.569) 6.042 1.664 ( -2.784 -3.767 -1.614) 4.955 1.664 ( -2.784 3.767 -1.614) 4.955 1.801 ( -0.967 -3.608 -0.691) 3.799 1.801 ( -0.967 3.608 -0.691) 3.799 1.856 ( 2.259 -2.982 3.174) 4.906 1.856 ( 2.259 2.982 3.174) 4.906 1.982 ( -2.305 -0.477 0.126) 2.358 1.982 ( -2.305 0.477 0.126) 2.358 2.043 ( 0.173 -0.241 3.006) 3.020 2.043 ( 0.173 0.241 3.006) 3.020 2.080 ( -1.123 -2.180 -0.514) 2.505 2.080 ( -1.123 2.180 -0.514) 2.505 2.131 ( 0.780 -1.623 0.797) 1.969 2.131 ( 0.780 1.623 0.797) 1.969 2.232 ( -0.136 -0.737 -1.335) 1.531 2.232 ( -0.136 0.737 -1.335) 1.531 2.322 ( 0.347 -1.856 -2.709) 3.302 2.322 ( 0.347 1.856 -2.709) 3.302 2.367 ( 0.532 -3.777 1.826) 4.229 2.367 ( 0.532 3.777 1.826) 4.229 2.432 ( -0.866 -2.170 -2.102) 3.143 2.432 ( -0.866 2.170 -2.102) 3.143 2.528 ( 2.952 -1.044 -2.483) 3.996 2.528 ( 2.952 1.044 -2.483) 3.996 2.703 ( -1.983 -1.553 -0.869) 2.664 2.703 ( -1.983 1.553 -0.869) 2.664 2.844 ( 2.308 -1.082 2.029) 3.258 2.844 ( 2.308 1.082 2.029) 3.258 2.905 ( 0.949 -2.712 -0.995) 3.041 2.905 ( 0.949 2.712 -0.995) 3.041 3.008 ( 0.481 -1.355 -0.034) 1.438 3.008 ( 0.481 1.355 -0.034) 1.438 3.070 ( 0.292 -2.175 -2.476) 3.308 3.070 ( 0.292 2.175 -2.476) 3.308 3.371 ( -1.144 -1.962 0.809) 2.411 3.371 ( -1.144 1.962 0.809) 2.411 3.455 ( 0.110 -2.229 0.045) 2.233 3.455 ( 0.110 2.229 0.045) 2.233 3.689 ( -1.845 -1.636 2.286) 3.362 3.689 ( -1.845 1.636 2.286) 3.362 3.801 ( -0.703 -3.498 0.686) 3.634 3.801 ( -0.703 3.498 0.686) 3.634 3.885 ( -0.561 -1.671 0.104) 1.765 3.885 ( -0.561 1.671 0.104) 1.765 4.600 ( 0.175 -0.303 0.735) 0.814 4.600 ( 0.175 0.303 0.735) 0.814 4.692 ( -1.611 -0.904 2.256) 2.915 4.692 ( -1.611 0.904 2.256) 2.915 4.817 ( 0.689 -1.656 0.307) 1.820 4.817 ( 0.689 1.656 0.307) 1.820 4.822 ( -2.830 -1.078 -2.927) 4.212 4.822 ( -2.830 1.078 -2.927) 4.212 5.057 ( 5.952 -1.134 0.696) 6.099 5.057 ( 5.952 1.134 0.696) 6.099 5.427 ( 0.078 -1.415 0.570) 1.527 5.427 ( 0.078 1.415 0.570) 1.527 5.467 ( 0.168 -3.753 -1.795) 4.164 5.467 ( 0.168 3.753 -1.795) 4.164 6.766 ( 2.383 -2.434 -1.802) 3.854 6.766 ( 2.383 2.434 -1.802) 3.854 6.898 ( -2.505 -1.880 -1.357) 3.414 6.898 ( -2.505 1.880 -1.357) 3.414 6.957 ( 0.829 -0.920 1.121) 1.671 6.957 ( 0.829 0.920 1.121) 1.671 7.025 ( -0.258 -0.853 0.396) 0.975 7.025 ( -0.258 0.853 0.396) 0.975 7.943 ( 0.449 -0.183 -0.355) 0.601 7.943 ( 0.449 0.183 -0.355) 0.601 ======================= Grid point 88 (50/66) ======================= q-point: ( 0.29 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -4.409 -5.734 4.146) 8.338 0.470 ( -4.409 5.734 4.146) 8.338 0.744 ( -0.237 -4.473 -2.785) 5.274 0.744 ( -0.237 4.473 -2.785) 5.274 0.920 ( -0.666 -2.871 0.388) 2.973 0.920 ( -0.666 2.871 0.388) 2.973 0.980 ( 0.376 -3.060 -0.325) 3.100 0.980 ( 0.376 3.060 -0.325) 3.100 1.060 ( 4.043 -5.237 2.070) 6.932 1.060 ( 4.043 5.237 2.070) 6.932 1.277 ( 0.004 -2.858 1.886) 3.424 1.277 ( 0.004 2.858 1.886) 3.424 1.362 ( 0.804 -1.832 -3.374) 3.922 1.362 ( 0.804 1.832 -3.374) 3.922 1.420 ( -1.411 -1.371 2.221) 2.967 1.420 ( -1.411 1.371 2.221) 2.967 1.650 ( -0.383 -4.155 3.935) 5.735 1.650 ( -0.383 4.155 3.935) 5.735 1.752 ( -3.684 -1.418 -2.601) 4.728 1.752 ( -3.684 1.418 -2.601) 4.728 1.873 ( -1.506 -1.801 0.969) 2.540 1.873 ( -1.506 1.801 0.969) 2.540 1.928 ( -3.093 -1.599 1.004) 3.624 1.928 ( -3.093 1.599 1.004) 3.624 2.049 ( 0.116 -0.481 -1.513) 1.592 2.049 ( 0.116 0.481 -1.513) 1.592 2.113 ( 0.524 -2.178 2.513) 3.367 2.113 ( 0.524 2.178 2.513) 3.367 2.154 ( 1.844 -2.361 0.221) 3.004 2.154 ( 1.844 2.361 0.221) 3.004 2.218 ( -0.002 -1.107 -1.003) 1.494 2.218 ( -0.002 1.107 -1.003) 1.494 2.330 ( 1.823 -2.916 0.156) 3.443 2.330 ( 1.823 2.916 0.156) 3.443 2.380 ( 0.010 -5.271 -0.349) 5.283 2.380 ( 0.010 5.271 -0.349) 5.283 2.428 ( 1.764 -2.579 0.388) 3.148 2.428 ( 1.764 2.579 0.388) 3.148 2.534 ( 0.387 -4.607 -1.873) 4.988 2.534 ( 0.387 4.607 -1.873) 4.988 2.668 ( -1.285 -3.814 0.146) 4.027 2.668 ( -1.285 3.814 0.146) 4.027 2.896 ( 1.253 -0.885 1.381) 2.064 2.896 ( 1.253 0.885 1.381) 2.064 2.935 ( 3.424 -3.645 -1.113) 5.123 2.935 ( 3.424 3.645 -1.113) 5.123 3.010 ( -0.013 -2.222 -0.061) 2.223 3.010 ( -0.013 2.222 -0.061) 2.223 3.049 ( -0.632 -3.148 -1.164) 3.415 3.049 ( -0.632 3.148 -1.164) 3.415 3.364 ( -0.795 -2.341 1.277) 2.783 3.364 ( -0.795 2.341 1.277) 2.783 3.454 ( -0.071 -2.466 -0.438) 2.505 3.454 ( -0.071 2.466 -0.438) 2.505 3.676 ( -1.668 -0.710 1.498) 2.352 3.676 ( -1.668 0.710 1.498) 2.352 3.792 ( -1.476 -3.829 1.170) 4.267 3.792 ( -1.476 3.829 1.170) 4.267 3.884 ( 0.038 -2.063 0.209) 2.074 3.884 ( 0.038 2.063 0.209) 2.074 4.602 ( -0.835 -0.126 0.271) 0.887 4.602 ( -0.835 0.126 0.271) 0.887 4.676 ( -1.931 -0.890 -2.372) 3.185 4.676 ( -1.931 0.890 -2.372) 3.185 4.727 ( -2.181 -0.409 -0.308) 2.240 4.727 ( -2.181 0.409 -0.308) 2.240 4.870 ( 3.243 -1.772 0.520) 3.732 4.870 ( 3.243 1.772 0.520) 3.732 5.139 ( 3.159 -3.118 0.023) 4.439 5.139 ( 3.159 3.118 0.023) 4.439 5.431 ( 0.069 -1.671 0.249) 1.691 5.431 ( 0.069 1.671 0.249) 1.691 5.466 ( 0.679 -2.331 -0.059) 2.428 5.466 ( 0.679 2.331 -0.059) 2.428 6.797 ( 3.122 -3.246 -1.530) 4.756 6.797 ( 3.122 3.246 -1.530) 4.756 6.829 ( -2.932 -1.753 -2.043) 3.980 6.829 ( -2.932 1.753 -2.043) 3.980 6.973 ( -0.255 -0.147 0.117) 0.317 6.973 ( -0.255 0.147 0.117) 0.317 7.038 ( 0.523 -1.169 1.737) 2.158 7.038 ( 0.523 1.169 1.737) 2.158 7.945 ( 0.380 -0.545 -0.580) 0.882 7.945 ( 0.380 0.545 -0.580) 0.882 ======================= Grid point 90 (51/66) ======================= q-point: (-0.57 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( -1.546 -5.173 1.819) 5.697 0.452 ( -1.546 5.173 1.819) 5.697 0.704 ( -0.127 -2.865 -1.383) 3.184 0.704 ( -0.127 2.865 -1.383) 3.184 0.899 ( -4.095 -3.898 -0.017) 5.654 0.899 ( -4.095 3.898 -0.017) 5.654 0.994 ( 3.403 -1.575 -0.750) 3.825 0.994 ( 3.403 1.575 -0.750) 3.825 1.115 ( -1.354 -2.583 -1.540) 3.298 1.115 ( -1.354 2.583 -1.540) 3.298 1.282 ( -0.130 -3.430 3.981) 5.257 1.282 ( -0.130 3.430 3.981) 5.257 1.343 ( 1.056 -2.795 -1.190) 3.216 1.343 ( 1.056 2.795 -1.190) 3.216 1.469 ( 2.350 -1.314 2.752) 3.850 1.469 ( 2.350 1.314 2.752) 3.850 1.632 ( -6.022 -3.262 -0.813) 6.897 1.632 ( -6.022 3.262 -0.813) 6.897 1.692 ( 0.769 -2.630 1.336) 3.049 1.692 ( 0.769 2.630 1.336) 3.049 1.868 ( -1.130 -2.470 1.943) 3.339 1.868 ( -1.130 2.470 1.943) 3.339 1.923 ( -0.163 -2.686 2.655) 3.780 1.923 ( -0.163 2.686 2.655) 3.780 2.037 ( -0.002 -2.133 -1.022) 2.365 2.037 ( -0.002 2.133 -1.022) 2.365 2.094 ( -1.940 -0.840 -3.462) 4.056 2.094 ( -1.940 0.840 -3.462) 4.056 2.147 ( -0.262 -1.346 -1.932) 2.369 2.147 ( -0.262 1.346 -1.932) 2.369 2.252 ( 1.858 -2.890 1.567) 3.776 2.252 ( 1.858 2.890 1.567) 3.776 2.351 ( 0.110 -0.927 1.959) 2.170 2.351 ( 0.110 0.927 1.959) 2.170 2.404 ( 1.832 -3.006 -0.106) 3.522 2.404 ( 1.832 3.006 -0.106) 3.522 2.452 ( 1.403 -2.346 0.074) 2.735 2.452 ( 1.403 2.346 0.074) 2.735 2.533 ( 0.883 -3.733 0.085) 3.837 2.533 ( 0.883 3.733 0.085) 3.837 2.655 ( -0.799 -3.485 -0.291) 3.587 2.655 ( -0.799 3.485 -0.291) 3.587 2.911 ( -0.187 -1.715 -0.182) 1.734 2.911 ( -0.187 1.715 -0.182) 1.734 2.953 ( 0.381 -4.658 -1.692) 4.970 2.953 ( 0.381 4.658 -1.692) 4.970 3.019 ( 0.989 -1.489 0.219) 1.801 3.019 ( 0.989 1.489 0.219) 1.801 3.048 ( 1.501 -1.720 0.233) 2.295 3.048 ( 1.501 1.720 0.233) 2.295 3.370 ( -0.199 -2.454 1.763) 3.028 3.370 ( -0.199 2.454 1.763) 3.028 3.443 ( -0.387 -2.088 -1.172) 2.426 3.443 ( -0.387 2.088 -1.172) 2.426 3.667 ( -1.017 -1.408 1.477) 2.280 3.667 ( -1.017 1.408 1.477) 2.280 3.779 ( -1.346 -3.013 1.090) 3.476 3.779 ( -1.346 3.013 1.090) 3.476 3.887 ( 0.324 -0.804 -0.176) 0.885 3.887 ( 0.324 0.804 -0.176) 0.885 4.553 ( -2.930 -0.388 -3.178) 4.340 4.553 ( -2.930 0.388 -3.178) 4.340 4.635 ( -0.431 -0.564 -0.066) 0.713 4.635 ( -0.431 0.564 -0.066) 0.713 4.728 ( 0.466 -0.417 0.640) 0.895 4.728 ( 0.466 0.417 0.640) 0.895 4.925 ( 2.556 -2.858 0.454) 3.861 4.925 ( 2.556 2.858 0.454) 3.861 5.159 ( -0.322 -3.563 -0.313) 3.591 5.159 ( -0.322 3.563 -0.313) 3.591 5.440 ( 0.501 -2.005 0.782) 2.210 5.440 ( 0.501 2.005 0.782) 2.210 5.477 ( 0.359 -1.641 0.128) 1.684 5.477 ( 0.359 1.641 0.128) 1.684 6.769 ( -1.148 -1.788 -2.676) 3.417 6.769 ( -1.148 1.788 -2.676) 3.417 6.842 ( 2.660 -3.372 -0.075) 4.296 6.842 ( 2.660 3.372 -0.075) 4.296 6.953 ( -1.212 -1.152 -1.189) 2.052 6.953 ( -1.212 1.152 -1.189) 2.052 7.065 ( 0.380 -1.432 1.968) 2.464 7.065 ( 0.380 1.432 1.968) 2.464 7.944 ( 0.186 -0.309 -0.653) 0.746 7.944 ( 0.186 0.309 -0.653) 0.746 ======================= Grid point 92 (52/66) ======================= q-point: (-0.43 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 2.040 -4.197 -0.539) 4.698 0.458 ( 2.040 4.197 -0.539) 4.698 0.710 ( -0.698 -6.229 0.200) 6.271 0.710 ( -0.698 6.229 0.200) 6.271 0.826 ( -4.661 -4.078 3.284) 7.010 0.826 ( -4.661 4.078 3.284) 7.010 0.970 ( -4.285 -2.988 -2.481) 5.783 0.970 ( -4.285 2.988 -2.481) 5.783 1.110 ( 2.317 -0.870 1.406) 2.846 1.110 ( 2.317 0.870 1.406) 2.846 1.276 ( -2.469 -2.962 -1.452) 4.120 1.276 ( -2.469 2.962 -1.452) 4.120 1.365 ( -2.050 -1.218 0.705) 2.486 1.365 ( -2.050 1.218 0.705) 2.486 1.519 ( 1.169 -2.275 3.083) 4.006 1.519 ( 1.169 2.275 3.083) 4.006 1.571 ( 0.892 -2.024 1.310) 2.571 1.571 ( 0.892 2.024 1.310) 2.571 1.752 ( 2.248 -3.472 3.450) 5.386 1.752 ( 2.248 3.472 3.450) 5.386 1.861 ( -0.730 -3.175 0.013) 3.258 1.861 ( -0.730 3.175 0.013) 3.258 1.927 ( -2.338 -1.687 0.995) 3.049 1.927 ( -2.338 1.687 0.995) 3.049 1.997 ( -1.469 -2.007 -3.661) 4.425 1.997 ( -1.469 2.007 -3.661) 4.425 2.054 ( 0.350 -2.272 -0.420) 2.337 2.054 ( 0.350 2.272 -0.420) 2.337 2.136 ( 0.406 -2.237 -0.480) 2.324 2.136 ( 0.406 2.237 -0.480) 2.324 2.285 ( 1.902 -3.979 -0.686) 4.463 2.285 ( 1.902 3.979 -0.686) 4.463 2.364 ( -0.253 -1.924 0.953) 2.162 2.364 ( -0.253 1.924 0.953) 2.162 2.417 ( 0.051 -1.552 -0.018) 1.553 2.417 ( 0.051 1.552 -0.018) 1.553 2.481 ( -0.439 -4.015 0.411) 4.060 2.481 ( -0.439 4.015 0.411) 4.060 2.563 ( 2.444 -2.359 1.634) 3.770 2.563 ( 2.444 2.359 1.634) 3.770 2.635 ( 0.153 -1.773 -1.781) 2.517 2.635 ( 0.153 1.773 -1.781) 2.517 2.887 ( -1.665 -2.097 -0.787) 2.791 2.887 ( -1.665 2.097 -0.787) 2.791 2.948 ( 0.439 -3.500 -0.641) 3.585 2.948 ( 0.439 3.500 -0.641) 3.585 3.043 ( 2.092 -1.603 -0.736) 2.736 3.043 ( 2.092 1.603 -0.736) 2.736 3.078 ( 1.525 -0.498 -0.392) 1.652 3.078 ( 1.525 0.498 -0.392) 1.652 3.391 ( 0.322 -1.534 2.273) 2.761 3.391 ( 0.322 1.534 2.273) 2.761 3.422 ( -0.270 -1.084 -1.881) 2.188 3.422 ( -0.270 1.084 -1.881) 2.188 3.669 ( -0.585 -2.648 1.447) 3.073 3.669 ( -0.585 2.648 1.447) 3.073 3.769 ( -1.067 -2.789 1.316) 3.263 3.769 ( -1.067 2.789 1.316) 3.263 3.894 ( 0.980 -1.209 -0.443) 1.618 3.894 ( 0.980 1.209 -0.443) 1.618 4.488 ( -1.961 -0.231 -1.232) 2.327 4.488 ( -1.961 0.231 -1.232) 2.327 4.635 ( -0.254 -0.654 0.504) 0.864 4.635 ( -0.254 0.654 0.504) 0.864 4.744 ( 1.213 -1.180 -0.026) 1.693 4.744 ( 1.213 1.180 -0.026) 1.693 4.945 ( -0.468 -2.611 -0.673) 2.736 4.945 ( -0.468 2.611 -0.673) 2.736 5.135 ( -2.217 -1.682 0.656) 2.859 5.135 ( -2.217 1.682 0.656) 2.859 5.457 ( 0.450 -2.860 0.641) 2.965 5.457 ( 0.450 2.860 0.641) 2.965 5.479 ( 0.045 -2.840 -0.138) 2.843 5.479 ( 0.045 2.840 -0.138) 2.843 6.745 ( 0.883 -0.914 -1.922) 2.304 6.745 ( 0.883 0.914 -1.922) 2.304 6.868 ( -0.112 -1.337 -0.514) 1.437 6.868 ( -0.112 1.337 -0.514) 1.437 6.929 ( 0.604 -3.271 -0.883) 3.441 6.929 ( 0.604 3.271 -0.883) 3.441 7.086 ( 0.243 -0.532 1.401) 1.518 7.086 ( 0.243 0.532 1.401) 1.518 7.940 ( 0.004 -0.331 -0.519) 0.615 7.940 ( 0.004 0.331 -0.519) 0.615 ======================= Grid point 94 (53/66) ======================= q-point: (-0.29 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 1.568 -4.670 1.945) 5.297 0.503 ( 1.568 4.670 1.945) 5.297 0.681 ( -0.587 -4.495 -0.348) 4.547 0.681 ( -0.587 4.495 -0.348) 4.547 0.779 ( -4.492 -3.327 2.985) 6.337 0.779 ( -4.492 3.327 2.985) 6.337 0.965 ( 0.906 -4.739 6.085) 7.765 0.965 ( 0.906 4.739 6.085) 7.765 1.103 ( -2.745 -2.004 -2.138) 4.016 1.103 ( -2.745 2.004 -2.138) 4.016 1.217 ( -4.264 -3.790 0.310) 5.713 1.217 ( -4.264 3.790 0.310) 5.713 1.307 ( -1.801 -1.405 -1.378) 2.668 1.307 ( -1.801 1.405 -1.378) 2.668 1.540 ( -1.244 -2.678 0.507) 2.996 1.540 ( -1.244 2.678 0.507) 2.996 1.652 ( 3.218 -0.328 2.066) 3.838 1.652 ( 3.218 0.328 2.066) 3.838 1.782 ( 1.743 -1.381 0.145) 2.229 1.782 ( 1.743 1.381 0.145) 2.229 1.849 ( -1.881 -4.525 0.401) 4.917 1.849 ( -1.881 4.525 0.401) 4.917 1.911 ( 0.295 -2.044 2.333) 3.116 1.911 ( 0.295 2.044 2.333) 3.116 1.988 ( 0.953 -1.890 0.767) 2.251 1.988 ( 0.953 1.890 0.767) 2.251 2.056 ( 0.575 -2.338 -0.713) 2.511 2.056 ( 0.575 2.338 -0.713) 2.511 2.151 ( 1.828 -2.973 -0.318) 3.505 2.151 ( 1.828 2.973 -0.318) 3.505 2.299 ( 0.627 -3.140 -1.652) 3.603 2.299 ( 0.627 3.140 -1.652) 3.603 2.348 ( -2.835 -2.627 -0.246) 3.873 2.348 ( -2.835 2.627 -0.246) 3.873 2.406 ( 0.123 -3.945 -1.206) 4.127 2.406 ( 0.123 3.945 -1.206) 4.127 2.464 ( 0.251 -3.084 -1.019) 3.258 2.464 ( 0.251 3.084 -1.019) 3.258 2.569 ( -1.225 -2.036 -1.987) 3.098 2.569 ( -1.225 2.036 -1.987) 3.098 2.673 ( 3.285 -3.447 0.791) 4.827 2.673 ( 3.285 3.447 0.791) 4.827 2.854 ( -1.906 -1.842 0.205) 2.659 2.854 ( -1.906 1.842 0.205) 2.659 2.954 ( 0.978 -2.866 -0.507) 3.070 2.954 ( 0.978 2.866 -0.507) 3.070 3.061 ( 0.987 -2.453 -2.654) 3.746 3.061 ( 0.987 2.453 -2.654) 3.746 3.082 ( 0.509 -2.724 -1.109) 2.985 3.082 ( 0.509 2.724 -1.109) 2.985 3.397 ( -0.066 -1.573 -1.151) 1.951 3.397 ( -0.066 1.573 -1.151) 1.951 3.427 ( 0.884 -2.363 1.474) 2.922 3.427 ( 0.884 2.363 1.474) 2.922 3.668 ( -1.340 -4.259 1.471) 4.701 3.668 ( -1.340 4.259 1.471) 4.701 3.779 ( 0.505 -3.159 2.056) 3.802 3.779 ( 0.505 3.159 2.056) 3.802 3.909 ( 1.196 -2.224 -0.567) 2.588 3.909 ( 1.196 2.224 -0.567) 2.588 4.483 ( 0.790 -0.731 2.934) 3.126 4.483 ( 0.790 0.731 2.934) 3.126 4.630 ( -0.625 -0.933 -0.111) 1.128 4.630 ( -0.625 0.933 -0.111) 1.128 4.767 ( 1.639 -1.563 -0.284) 2.283 4.767 ( 1.639 1.563 -0.284) 2.283 4.893 ( -4.064 -0.844 -1.499) 4.413 4.893 ( -4.064 0.844 -1.499) 4.413 5.108 ( -2.625 -1.627 1.553) 3.457 5.108 ( -2.625 1.627 1.553) 3.457 5.454 ( -0.817 -1.395 -0.350) 1.654 5.454 ( -0.817 1.395 -0.350) 1.654 5.486 ( 0.893 -3.020 -0.203) 3.155 5.486 ( 0.893 3.020 -0.203) 3.155 6.760 ( 2.559 -0.459 -1.001) 2.786 6.760 ( 2.559 0.459 -1.001) 2.786 6.833 ( -1.835 -2.191 -1.665) 3.307 6.833 ( -1.835 2.191 -1.665) 3.307 6.954 ( 1.656 -2.718 0.400) 3.207 6.954 ( 1.656 2.718 0.400) 3.207 7.097 ( 0.071 -0.868 0.236) 0.902 7.097 ( 0.071 0.868 0.236) 0.902 7.936 ( -0.014 -0.894 -0.270) 0.934 7.936 ( -0.014 0.894 -0.270) 0.934 ======================= Grid point 96 (54/66) ======================= q-point: (-0.14 -0.50 0.33) 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -3.120 -5.607 4.189) 7.663 0.513 ( -3.120 5.607 4.189) 7.663 0.719 ( 4.854 -2.027 -0.116) 5.262 0.719 ( 4.854 2.027 -0.116) 5.262 0.775 ( -3.546 -1.731 7.224) 8.232 0.775 ( -3.546 1.731 7.224) 8.232 0.995 ( -1.367 -3.592 -0.333) 3.858 0.995 ( -1.367 3.592 -0.333) 3.858 1.072 ( -0.566 -2.988 1.381) 3.340 1.072 ( -0.566 2.988 1.381) 3.340 1.166 ( -1.413 -6.095 4.094) 7.477 1.166 ( -1.413 6.095 4.094) 7.477 1.296 ( 0.913 -2.201 -1.386) 2.756 1.296 ( 0.913 2.201 -1.386) 2.756 1.476 ( -3.724 -3.570 -1.560) 5.390 1.476 ( -3.724 3.570 -1.560) 5.390 1.709 ( 1.413 -1.314 2.003) 2.781 1.709 ( 1.413 1.314 2.003) 2.781 1.806 ( -1.114 -4.037 0.710) 4.247 1.806 ( -1.114 4.037 0.710) 4.247 1.856 ( 2.221 -1.427 -0.566) 2.700 1.856 ( 2.221 1.427 -0.566) 2.700 1.930 ( -0.316 -0.504 2.461) 2.532 1.930 ( -0.316 0.504 2.461) 2.532 2.004 ( 0.256 -1.749 0.049) 1.768 2.004 ( 0.256 1.749 0.049) 1.768 2.079 ( 1.991 -3.258 0.479) 3.848 2.079 ( 1.991 3.258 0.479) 3.848 2.175 ( -0.418 -3.781 0.428) 3.828 2.175 ( -0.418 3.781 0.428) 3.828 2.253 ( -1.065 -1.175 -2.487) 2.950 2.253 ( -1.065 1.175 -2.487) 2.950 2.316 ( -0.476 -1.033 -0.242) 1.162 2.316 ( -0.476 1.033 -0.242) 1.162 2.412 ( 0.842 -2.808 -1.618) 3.348 2.412 ( 0.842 2.808 -1.618) 3.348 2.461 ( 2.336 -1.048 -3.511) 4.345 2.461 ( 2.336 1.048 -3.511) 4.345 2.526 ( -2.185 -3.617 -1.132) 4.375 2.526 ( -2.185 3.617 -1.132) 4.375 2.704 ( 0.884 -3.757 -0.623) 3.910 2.704 ( 0.884 3.757 -0.623) 3.910 2.833 ( -1.325 -1.013 0.812) 1.855 2.833 ( -1.325 1.013 0.812) 1.855 2.966 ( 0.769 -2.013 -1.020) 2.384 2.966 ( 0.769 2.013 -1.020) 2.384 3.013 ( -2.587 -1.428 -2.045) 3.594 3.013 ( -2.587 1.428 -2.045) 3.594 3.089 ( 1.656 -0.347 -2.427) 2.958 3.089 ( 1.656 0.347 -2.427) 2.958 3.390 ( 0.201 -0.786 -0.849) 1.174 3.390 ( 0.201 0.786 -0.849) 1.174 3.447 ( -0.005 -1.111 1.025) 1.512 3.447 ( -0.005 1.111 1.025) 1.512 3.663 ( -1.140 -4.462 2.579) 5.278 3.663 ( -1.140 4.462 2.579) 5.278 3.811 ( 0.530 -3.635 1.571) 3.995 3.811 ( 0.530 3.635 1.571) 3.995 3.914 ( 0.244 -1.737 -1.020) 2.029 3.914 ( 0.244 1.737 -1.020) 2.029 4.566 ( 2.666 -0.801 5.557) 6.215 4.566 ( 2.666 0.801 5.557) 6.215 4.622 ( 0.949 -0.685 0.300) 1.208 4.622 ( 0.949 0.685 0.300) 1.208 4.787 ( 0.675 -1.576 -0.168) 1.722 4.787 ( 0.675 1.576 -0.168) 1.722 4.820 ( -2.066 -0.944 -0.663) 2.366 4.820 ( -2.066 0.944 -0.663) 2.366 5.067 ( -3.817 -2.852 0.529) 4.794 5.067 ( -3.817 2.852 0.529) 4.794 5.435 ( -0.965 -0.761 -0.267) 1.257 5.435 ( -0.965 0.761 -0.267) 1.257 5.494 ( 0.866 -3.778 -1.382) 4.115 5.494 ( 0.866 3.778 -1.382) 4.115 6.776 ( 0.031 -0.255 -2.432) 2.446 6.776 ( 0.031 0.255 -2.432) 2.446 6.823 ( 2.397 -1.573 0.844) 2.988 6.823 ( 2.397 1.573 0.844) 2.988 6.976 ( 0.471 -1.536 0.345) 1.644 6.976 ( 0.471 1.536 0.345) 1.644 7.085 ( -1.166 -1.156 -1.225) 2.048 7.085 ( -1.166 1.156 -1.225) 2.048 7.935 ( 0.148 -0.971 -0.101) 0.988 7.935 ( 0.148 0.971 -0.101) 0.988 ======================= Grid point 105 (55/66) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -0.330 0.000 -0.930) 0.987 0.607 ( 0.330 0.000 0.930) 0.987 0.730 ( 7.031 0.000 -4.247) 8.214 0.730 ( -7.031 0.000 4.247) 8.214 0.910 ( -2.052 0.000 -4.456) 4.906 0.910 ( 2.052 0.000 4.456) 4.906 0.972 ( 4.540 0.000 -3.655) 5.829 0.972 ( -4.540 0.000 3.655) 5.829 1.201 ( 2.826 0.000 -2.615) 3.850 1.201 ( -2.826 0.000 2.615) 3.850 1.231 ( -3.392 0.000 -3.514) 4.884 1.231 ( 3.392 0.000 3.514) 4.884 1.323 ( 0.906 0.000 -3.921) 4.025 1.323 ( -0.906 0.000 3.921) 4.025 1.434 ( -3.101 0.000 -1.985) 3.682 1.434 ( 3.101 0.000 1.985) 3.682 1.656 ( -3.333 0.000 0.669) 3.399 1.656 ( 3.333 0.000 -0.669) 3.399 1.772 ( -0.938 0.000 -2.713) 2.871 1.772 ( 0.938 0.000 2.713) 2.871 1.908 ( -2.198 0.000 -1.811) 2.848 1.908 ( 2.198 0.000 1.811) 2.848 1.977 ( -1.518 0.000 0.001) 1.518 1.977 ( 1.518 0.000 -0.001) 1.518 2.031 ( 2.911 0.000 -1.204) 3.150 2.031 ( -2.911 0.000 1.204) 3.150 2.093 ( 0.837 0.000 -5.860) 5.920 2.093 ( -0.837 0.000 5.860) 5.920 2.164 ( -0.160 0.000 -5.720) 5.722 2.164 ( 0.160 0.000 5.720) 5.722 2.233 ( -0.336 0.000 -3.668) 3.684 2.233 ( 0.336 0.000 3.668) 3.684 2.281 ( -0.566 0.000 0.129) 0.581 2.281 ( 0.566 0.000 -0.129) 0.581 2.348 ( 2.474 0.000 -2.120) 3.258 2.348 ( -2.474 0.000 2.120) 3.258 2.411 ( 1.741 0.000 -3.527) 3.934 2.411 ( -1.741 0.000 3.527) 3.934 2.537 ( -3.341 0.000 -0.652) 3.404 2.537 ( 3.341 0.000 0.652) 3.404 2.712 ( -2.566 0.000 -2.189) 3.373 2.712 ( 2.566 0.000 2.189) 3.373 2.871 ( -2.940 0.000 -0.086) 2.941 2.871 ( 2.940 0.000 0.086) 2.941 2.968 ( 0.483 0.000 -2.316) 2.366 2.968 ( -0.483 0.000 2.316) 2.366 2.984 ( 0.171 0.000 -1.350) 1.361 2.984 ( -0.171 0.000 1.350) 1.361 3.000 ( 1.687 0.000 -0.655) 1.810 3.000 ( -1.687 0.000 0.655) 1.810 3.334 ( 0.935 0.000 -1.012) 1.378 3.334 ( -0.935 0.000 1.012) 1.378 3.468 ( 0.638 0.000 -0.535) 0.833 3.468 ( -0.638 0.000 0.535) 0.833 3.591 ( -2.082 0.000 -1.077) 2.344 3.591 ( 2.082 0.000 1.077) 2.344 3.865 ( -3.766 0.000 -0.980) 3.892 3.865 ( 3.766 0.000 0.980) 3.892 3.937 ( -1.335 0.000 -1.459) 1.978 3.937 ( 1.335 0.000 1.459) 1.978 4.609 ( -0.060 0.000 -1.243) 1.244 4.609 ( 0.060 0.000 1.243) 1.244 4.712 ( -3.285 0.000 0.939) 3.417 4.712 ( 3.285 0.000 -0.939) 3.417 4.775 ( 0.919 0.000 -2.983) 3.122 4.775 ( -0.919 0.000 2.983) 3.122 4.862 ( 0.316 0.000 -0.468) 0.565 4.862 ( -0.316 0.000 0.468) 0.565 5.024 ( -4.101 0.000 -3.184) 5.192 5.024 ( 4.101 0.000 3.184) 5.192 5.387 ( 0.342 0.000 -0.150) 0.373 5.387 ( -0.342 0.000 0.150) 0.373 5.506 ( 0.771 0.000 -4.656) 4.720 5.506 ( -0.771 0.000 4.656) 4.720 6.732 ( 2.623 0.000 -0.924) 2.781 6.732 ( -2.623 0.000 0.924) 2.781 6.899 ( 1.658 0.000 -2.324) 2.855 6.899 ( -1.658 0.000 2.324) 2.855 6.966 ( -1.460 0.000 -0.820) 1.675 6.966 ( 1.460 0.000 0.820) 1.675 7.019 ( 0.968 0.000 -0.732) 1.214 7.019 ( -0.968 0.000 0.732) 1.214 7.939 ( -0.565 0.000 -0.433) 0.711 7.939 ( 0.565 0.000 0.433) 0.711 ======================= Grid point 107 (56/66) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -5.887 0.000 1.672) 6.119 0.558 ( -1.583 0.000 -2.532) 2.986 0.712 ( 1.111 0.000 1.959) 2.252 0.772 ( 0.893 0.000 -3.891) 3.992 0.846 ( -1.937 0.000 -2.360) 3.053 0.959 ( 2.761 0.000 -2.834) 3.957 0.970 ( 2.452 0.000 -4.835) 5.421 1.017 ( 3.855 0.000 2.380) 4.530 1.158 ( -1.747 0.000 0.864) 1.949 1.184 ( -1.216 0.000 0.793) 1.451 1.218 ( 1.926 0.000 -2.055) 2.816 1.277 ( -0.273 0.000 0.539) 0.604 1.322 ( -3.279 0.000 -3.682) 4.930 1.349 ( -1.190 0.000 -4.331) 4.492 1.352 ( 3.542 0.000 -0.819) 3.635 1.461 ( 3.646 0.000 -0.621) 3.698 1.574 ( -4.834 0.000 4.395) 6.533 1.672 ( -1.672 0.000 2.049) 2.644 1.799 ( -4.307 0.000 1.564) 4.582 1.834 ( -1.630 0.000 2.826) 3.263 1.905 ( 6.299 0.000 2.809) 6.897 1.927 ( 0.106 0.000 -0.867) 0.874 1.960 ( -0.219 0.000 0.290) 0.364 1.982 ( 0.314 0.000 -2.897) 2.914 1.994 ( -1.566 0.000 -0.246) 1.585 2.060 ( 0.054 0.000 -1.763) 1.764 2.080 ( 3.670 0.000 0.405) 3.692 2.094 ( -0.907 0.000 -5.581) 5.655 2.132 ( -0.526 0.000 3.885) 3.921 2.158 ( -4.761 0.000 0.204) 4.765 2.194 ( -0.646 0.000 -1.260) 1.416 2.235 ( -1.286 0.000 2.304) 2.639 2.264 ( -0.083 0.000 -1.962) 1.964 2.304 ( 0.979 0.000 0.828) 1.282 2.333 ( -0.251 0.000 2.088) 2.103 2.344 ( 0.319 0.000 -3.416) 3.431 2.447 ( 2.933 0.000 -0.584) 2.991 2.486 ( -1.675 0.000 0.469) 1.740 2.487 ( 2.721 0.000 6.947) 7.461 2.586 ( 1.741 0.000 1.276) 2.159 2.662 ( -1.436 0.000 -1.993) 2.456 2.786 ( 3.632 0.000 2.036) 4.164 2.813 ( -2.991 0.000 -0.963) 3.142 2.871 ( -1.373 0.000 -2.861) 3.173 2.935 ( -2.160 0.000 -1.802) 2.813 2.972 ( -0.896 0.000 1.748) 1.964 3.000 ( 1.441 0.000 1.611) 2.161 3.001 ( 1.138 0.000 0.807) 1.395 3.014 ( 2.778 0.000 -0.951) 2.936 3.052 ( 3.792 0.000 0.580) 3.836 3.333 ( -0.558 0.000 1.273) 1.390 3.346 ( 1.218 0.000 -0.424) 1.290 3.467 ( -0.018 0.000 0.711) 0.711 3.472 ( 0.423 0.000 -0.605) 0.739 3.553 ( -1.387 0.000 -0.391) 1.441 3.627 ( 0.189 0.000 1.979) 1.988 3.789 ( -4.540 0.000 0.346) 4.553 3.869 ( -2.269 0.000 -1.054) 2.501 3.954 ( 2.714 0.000 0.354) 2.737 3.969 ( 0.611 0.000 0.681) 0.915 4.606 ( 1.105 0.000 -1.555) 1.907 4.625 ( 0.117 0.000 0.667) 0.677 4.661 ( -3.740 0.000 -1.215) 3.932 4.731 ( -1.809 0.000 -1.820) 2.566 4.741 ( -5.941 0.000 -2.779) 6.559 4.763 ( 1.324 0.000 0.125) 1.330 4.792 ( -0.388 0.000 0.230) 0.451 4.845 ( 0.427 0.000 -0.222) 0.482 5.032 ( 4.252 0.000 -0.568) 4.290 5.157 ( 6.623 0.000 2.078) 6.941 5.381 ( -0.402 0.000 -0.099) 0.414 5.389 ( 0.153 0.000 -0.210) 0.260 5.486 ( 1.204 0.000 -2.736) 2.990 5.539 ( -0.874 0.000 4.661) 4.742 6.707 ( -1.378 0.000 1.597) 2.109 6.746 ( -0.937 0.000 -0.360) 1.004 6.856 ( -1.947 0.000 -3.580) 4.075 6.874 ( 0.016 0.000 -0.028) 0.032 6.972 ( 0.346 0.000 -0.272) 0.440 7.004 ( -1.406 0.000 0.762) 1.599 7.029 ( 0.879 0.000 0.484) 1.004 7.045 ( 4.037 0.000 2.432) 4.713 7.927 ( -0.270 0.000 -0.577) 0.637 7.950 ( 0.289 0.000 0.160) 0.330 ======================= Grid point 108 (57/66) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -2.355 0.000 3.309) 4.062 0.540 ( 1.197 0.000 -1.588) 1.989 0.733 ( -0.449 0.000 -2.282) 2.326 0.764 ( 3.777 0.000 -3.154) 4.921 0.821 ( 2.116 0.000 -1.032) 2.354 0.961 ( 1.069 0.000 -3.631) 3.785 0.967 ( 3.600 0.000 -2.016) 4.126 1.096 ( 5.172 0.000 -2.017) 5.551 1.162 ( 0.027 0.000 -0.077) 0.081 1.196 ( -6.833 0.000 0.026) 6.833 1.202 ( 1.590 0.000 2.264) 2.767 1.219 ( -0.869 0.000 -2.632) 2.772 1.284 ( 0.855 0.000 -6.930) 6.982 1.311 ( 3.505 0.000 0.616) 3.559 1.418 ( 2.439 0.000 4.017) 4.700 1.481 ( 0.445 0.000 0.744) 0.867 1.639 ( -3.531 0.000 0.630) 3.587 1.652 ( 2.829 0.000 7.974) 8.461 1.719 ( -4.090 0.000 -1.025) 4.217 1.762 ( -7.398 0.000 1.093) 7.478 1.924 ( 0.650 0.000 -0.748) 0.991 1.927 ( 0.416 0.000 -5.762) 5.777 1.960 ( -0.835 0.000 0.966) 1.277 1.961 ( -0.700 0.000 -0.837) 1.091 2.003 ( -0.273 0.000 -0.837) 0.881 2.051 ( 0.955 0.000 -3.496) 3.624 2.075 ( -2.752 0.000 -2.105) 3.464 2.101 ( -3.785 0.000 1.333) 4.013 2.106 ( 1.081 0.000 4.551) 4.677 2.137 ( -0.826 0.000 0.351) 0.898 2.180 ( -0.961 0.000 0.888) 1.309 2.263 ( 2.735 0.000 -0.380) 2.761 2.269 ( 3.197 0.000 0.201) 3.204 2.303 ( -1.140 0.000 0.178) 1.153 2.336 ( 2.305 0.000 -0.179) 2.312 2.380 ( 2.965 0.000 1.511) 3.328 2.461 ( 0.068 0.000 0.824) 0.827 2.517 ( 3.221 0.000 1.087) 3.400 2.554 ( -1.206 0.000 4.002) 4.179 2.624 ( -0.969 0.000 -1.813) 2.055 2.636 ( 1.380 0.000 2.897) 3.209 2.766 ( -1.292 0.000 -1.432) 1.929 2.798 ( -3.925 0.000 -2.546) 4.679 2.831 ( -1.726 0.000 -1.190) 2.096 2.890 ( 1.244 0.000 -1.399) 1.873 2.971 ( -1.411 0.000 1.643) 2.166 3.022 ( 1.122 0.000 -0.068) 1.124 3.028 ( 1.683 0.000 -0.418) 1.734 3.071 ( 3.091 0.000 1.334) 3.367 3.121 ( 3.439 0.000 0.768) 3.524 3.338 ( -0.325 0.000 1.377) 1.415 3.359 ( 0.676 0.000 -0.303) 0.740 3.470 ( 0.295 0.000 -0.943) 0.988 3.477 ( -0.564 0.000 1.765) 1.853 3.545 ( 0.869 0.000 -0.276) 0.912 3.626 ( -2.645 0.000 2.037) 3.339 3.742 ( -1.917 0.000 1.651) 2.530 3.821 ( -1.441 0.000 -2.124) 2.566 3.963 ( -1.128 0.000 -0.599) 1.277 3.977 ( -0.345 0.000 0.227) 0.413 4.552 ( -3.291 0.000 -4.211) 5.344 4.581 ( -3.059 0.000 -4.316) 5.290 4.633 ( -0.719 0.000 -0.684) 0.992 4.642 ( -0.458 0.000 1.047) 1.142 4.724 ( 0.743 0.000 0.555) 0.927 4.767 ( -1.473 0.000 1.571) 2.154 4.841 ( 4.349 0.000 -0.894) 4.440 4.862 ( 1.409 0.000 0.075) 1.411 5.104 ( 4.253 0.000 1.168) 4.411 5.247 ( 2.938 0.000 0.225) 2.946 5.372 ( -0.355 0.000 -0.369) 0.512 5.386 ( -0.314 0.000 -0.414) 0.520 5.495 ( 1.821 0.000 -0.750) 1.970 5.557 ( -1.202 0.000 2.776) 3.026 6.712 ( -2.274 0.000 0.456) 2.320 6.722 ( 0.787 0.000 2.317) 2.447 6.789 ( -1.966 0.000 -3.202) 3.758 6.892 ( 0.849 0.000 -0.244) 0.884 6.955 ( 0.139 0.000 -2.871) 2.874 6.986 ( -1.730 0.000 1.034) 2.016 7.059 ( 1.180 0.000 1.872) 2.213 7.113 ( 1.521 0.000 1.720) 2.296 7.923 ( 0.392 0.000 -0.480) 0.620 7.950 ( -0.285 0.000 0.003) 0.285 ======================= Grid point 109 (58/66) ======================= 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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -1.170 0.000 4.301) 4.457 0.539 ( 1.533 0.000 -3.878) 4.170 0.721 ( -0.853 0.000 2.322) 2.474 0.748 ( 1.148 0.000 -6.182) 6.288 0.922 ( 6.816 0.000 4.267) 8.041 0.963 ( 2.881 0.000 -0.892) 3.016 1.009 ( 2.969 0.000 -6.964) 7.571 1.064 ( -8.353 0.000 2.751) 8.794 1.147 ( -1.086 0.000 -1.306) 1.699 1.153 ( -3.846 0.000 -1.160) 4.017 1.208 ( 6.694 0.000 0.037) 6.694 1.236 ( 0.057 0.000 1.659) 1.660 1.285 ( 6.084 0.000 -1.272) 6.215 1.390 ( 1.858 0.000 0.755) 2.005 1.472 ( -3.543 0.000 3.677) 5.106 1.486 ( -0.998 0.000 -0.325) 1.049 1.571 ( -1.147 0.000 0.247) 1.173 1.631 ( -2.811 0.000 -3.719) 4.662 1.712 ( -0.027 0.000 3.469) 3.469 1.748 ( 0.289 0.000 1.083) 1.121 1.889 ( 1.640 0.000 -3.086) 3.494 1.912 ( -3.413 0.000 2.785) 4.405 1.950 ( 0.802 0.000 0.088) 0.806 1.976 ( 2.190 0.000 0.649) 2.285 2.005 ( 0.111 0.000 0.569) 0.580 2.009 ( -2.335 0.000 -4.694) 5.242 2.046 ( -1.221 0.000 1.226) 1.730 2.051 ( -2.229 0.000 1.028) 2.454 2.084 ( 0.080 0.000 -2.804) 2.805 2.107 ( -2.184 0.000 -0.724) 2.301 2.208 ( 0.476 0.000 4.086) 4.113 2.260 ( -0.993 0.000 -3.885) 4.010 2.307 ( 2.243 0.000 -1.268) 2.576 2.312 ( 0.263 0.000 1.115) 1.145 2.424 ( 3.397 0.000 3.841) 5.128 2.438 ( 2.312 0.000 0.382) 2.344 2.486 ( 3.083 0.000 -0.602) 3.141 2.543 ( -3.417 0.000 1.620) 3.781 2.585 ( 2.614 0.000 1.151) 2.856 2.617 ( 2.076 0.000 1.561) 2.597 2.639 ( -3.434 0.000 0.666) 3.498 2.703 ( -4.241 0.000 -2.886) 5.130 2.744 ( 0.222 0.000 -1.200) 1.221 2.761 ( -2.302 0.000 -1.562) 2.782 2.924 ( 2.822 0.000 -0.975) 2.985 2.955 ( -2.234 0.000 1.301) 2.585 3.039 ( 0.287 0.000 0.886) 0.932 3.043 ( 0.900 0.000 -0.965) 1.320 3.131 ( 2.600 0.000 1.078) 2.815 3.159 ( 0.332 0.000 -0.098) 0.346 3.348 ( -0.065 0.000 1.321) 1.323 3.359 ( 0.077 0.000 -0.989) 0.992 3.470 ( 1.160 0.000 -1.379) 1.803 3.477 ( -1.473 0.000 2.000) 2.484 3.564 ( 1.301 0.000 -0.068) 1.303 3.591 ( -2.590 0.000 0.679) 2.678 3.755 ( 0.698 0.000 2.229) 2.336 3.787 ( -0.675 0.000 -1.923) 2.038 3.941 ( 0.148 0.000 -1.152) 1.162 3.956 ( -1.938 0.000 0.143) 1.943 4.494 ( -0.239 0.000 -1.865) 1.880 4.506 ( -1.787 0.000 -1.632) 2.420 4.634 ( 0.791 0.000 -0.769) 1.103 4.640 ( -0.891 0.000 0.959) 1.309 4.743 ( 1.109 0.000 -0.163) 1.121 4.756 ( -1.293 0.000 1.103) 1.700 4.884 ( 0.357 0.000 1.045) 1.105 4.884 ( 2.047 0.000 -1.501) 2.539 5.191 ( 3.993 0.000 2.446) 4.683 5.256 ( -1.120 0.000 -1.447) 1.830 5.366 ( -0.012 0.000 -0.218) 0.218 5.372 ( -0.623 0.000 -0.487) 0.791 5.524 ( 1.968 0.000 -0.042) 1.969 5.551 ( -1.628 0.000 0.849) 1.836 6.698 ( -0.433 0.000 1.360) 1.427 6.722 ( -1.308 0.000 -1.878) 2.289 6.789 ( 2.804 0.000 2.121) 3.516 6.860 ( -2.977 0.000 -1.834) 3.496 6.953 ( 2.272 0.000 -2.396) 3.302 6.969 ( -1.905 0.000 1.581) 2.475 7.097 ( 1.244 0.000 1.693) 2.101 7.124 ( -0.681 0.000 -0.328) 0.756 7.930 ( 0.839 0.000 -0.267) 0.880 7.942 ( -0.753 0.000 0.071) 0.756 ======================= Grid point 113 (59/66) ======================= q-point: ( 0.00 0.25 -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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -0.841 -1.403 -1.281) 2.078 0.590 ( 0.841 -1.403 1.281) 2.078 0.732 ( 5.461 0.239 -2.902) 6.189 0.732 ( -5.461 0.239 2.902) 6.189 0.901 ( 1.106 -1.153 -3.063) 3.455 0.901 ( -1.106 -1.153 3.063) 3.455 0.990 ( 1.889 2.170 -2.764) 3.990 0.990 ( -1.889 2.170 2.764) 3.990 1.131 ( 1.904 -4.290 -4.138) 6.257 1.131 ( -1.904 -4.290 4.138) 6.257 1.235 ( -2.597 -0.971 -0.254) 2.784 1.235 ( 2.597 -0.971 0.254) 2.784 1.290 ( 2.444 -2.374 -2.801) 4.411 1.290 ( -2.444 -2.374 2.801) 4.411 1.493 ( -2.576 3.899 -0.735) 4.731 1.493 ( 2.576 3.899 0.735) 4.731 1.653 ( -4.395 0.770 -0.477) 4.487 1.653 ( 4.395 0.770 0.477) 4.487 1.783 ( -3.402 1.038 -2.717) 4.476 1.783 ( 3.402 1.038 2.717) 4.476 1.924 ( -2.085 -2.320 -0.675) 3.191 1.924 ( 2.085 -2.320 0.675) 3.191 1.980 ( -0.048 1.218 -1.005) 1.580 1.980 ( 0.048 1.218 1.005) 1.580 2.044 ( -0.266 2.423 -0.956) 2.619 2.044 ( 0.266 2.423 0.956) 2.619 2.071 ( 0.442 -1.010 -3.531) 3.699 2.071 ( -0.442 -1.010 3.531) 3.699 2.149 ( -0.423 -1.156 -3.806) 4.000 2.149 ( 0.423 -1.156 3.806) 4.000 2.220 ( -1.420 -0.383 -1.790) 2.316 2.220 ( 1.420 -0.383 1.790) 2.316 2.295 ( 0.230 0.226 -1.909) 1.936 2.295 ( -0.230 0.226 1.909) 1.936 2.362 ( -2.852 1.411 0.382) 3.205 2.362 ( 2.852 1.411 -0.382) 3.205 2.429 ( -1.568 1.224 -2.733) 3.380 2.429 ( 1.568 1.224 2.733) 3.380 2.497 ( -1.418 -3.380 -0.814) 3.754 2.497 ( 1.418 -3.380 0.814) 3.754 2.718 ( -2.383 0.104 -1.731) 2.947 2.718 ( 2.383 0.104 1.731) 2.947 2.854 ( -2.521 -1.163 -2.160) 3.517 2.854 ( 2.521 -1.163 2.160) 3.517 2.908 ( 1.244 -2.481 -3.461) 4.436 2.908 ( -1.244 -2.481 3.461) 4.436 3.004 ( -0.242 0.948 -1.492) 1.784 3.004 ( 0.242 0.948 1.492) 1.784 3.032 ( 0.847 1.189 -1.880) 2.380 3.032 ( -0.847 1.189 1.880) 2.380 3.361 ( 0.762 1.937 -0.893) 2.265 3.361 ( -0.762 1.937 0.893) 2.265 3.463 ( 0.411 -0.353 -0.729) 0.908 3.463 ( -0.411 -0.353 0.729) 0.908 3.644 ( -1.006 4.784 -1.674) 5.167 3.644 ( 1.006 4.784 1.674) 5.167 3.847 ( -3.263 -1.929 -0.998) 3.919 3.847 ( 3.263 -1.929 0.998) 3.919 3.919 ( -1.494 -1.560 -1.166) 2.455 3.919 ( 1.494 -1.560 1.166) 2.455 4.605 ( -0.081 -0.289 -0.772) 0.828 4.605 ( 0.081 -0.289 0.772) 0.828 4.726 ( -2.170 1.168 0.218) 2.473 4.726 ( 2.170 1.168 -0.218) 2.473 4.775 ( 0.927 -0.011 -2.386) 2.560 4.775 ( -0.927 -0.011 2.386) 2.560 4.862 ( -0.017 0.055 -0.390) 0.394 4.862 ( 0.017 0.055 0.390) 0.394 5.008 ( -3.158 -1.267 -2.259) 4.084 5.008 ( 3.158 -1.267 2.259) 4.084 5.402 ( -0.095 1.446 -0.203) 1.463 5.402 ( 0.095 1.446 0.203) 1.463 5.485 ( 0.549 -1.903 -3.579) 4.090 5.485 ( -0.549 -1.903 3.579) 4.090 6.732 ( 1.735 -0.006 -0.632) 1.847 6.732 ( -1.735 -0.006 0.632) 1.847 6.905 ( 0.228 0.536 -1.807) 1.899 6.905 ( -0.228 0.536 1.807) 1.899 6.962 ( -1.078 -0.412 -0.771) 1.388 6.962 ( 1.078 -0.412 0.771) 1.388 7.025 ( -0.530 0.503 -0.261) 0.776 7.025 ( 0.530 0.503 0.261) 0.776 7.938 ( -0.399 -0.115 -0.306) 0.516 7.938 ( 0.399 -0.115 0.306) 0.516 ======================= Grid point 115 (60/66) ======================= q-point: ( 0.14 0.25 -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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -3.848 -0.035 0.545) 3.887 0.585 ( -1.200 1.403 -0.342) 1.878 0.690 ( -1.546 -0.719 1.034) 1.994 0.763 ( 0.433 -2.043 -2.921) 3.590 0.861 ( 0.657 2.569 -3.197) 4.154 0.931 ( 3.600 -1.157 -4.127) 5.597 0.976 ( 0.572 -0.365 -0.336) 0.757 1.037 ( 0.588 -0.775 1.013) 1.405 1.085 ( -2.804 -4.976 -0.749) 5.760 1.112 ( -0.184 -2.323 2.226) 3.223 1.225 ( 1.688 -2.174 -1.786) 3.281 1.266 ( 1.542 0.698 -3.211) 3.630 1.299 ( 0.339 -1.699 2.668) 3.181 1.327 ( 3.437 -2.182 -2.812) 4.948 1.417 ( -2.751 4.605 -3.175) 6.233 1.496 ( -0.165 1.605 -1.622) 2.288 1.621 ( -1.528 4.417 6.221) 7.781 1.682 ( -1.383 2.271 -0.494) 2.704 1.794 ( -1.677 -1.681 4.153) 4.785 1.828 ( -1.584 -0.529 2.631) 3.116 1.889 ( 0.970 -3.223 -3.315) 4.724 1.931 ( 1.299 -0.194 -0.288) 1.345 1.967 ( -1.320 1.452 -1.657) 2.568 1.980 ( -0.286 -0.767 -0.809) 1.151 2.004 ( -1.888 -2.951 -2.639) 4.386 2.029 ( 1.445 2.041 -0.442) 2.540 2.063 ( -1.589 0.249 0.164) 1.616 2.106 ( 3.438 2.851 -0.390) 4.484 2.140 ( 0.166 0.548 -0.460) 0.735 2.181 ( -2.226 2.151 0.027) 3.096 2.193 ( 1.726 -3.756 1.633) 4.445 2.230 ( -1.539 -0.875 0.992) 2.029 2.279 ( -3.057 3.365 0.683) 4.598 2.311 ( 1.840 -0.289 0.549) 1.942 2.338 ( -0.309 2.163 1.244) 2.514 2.392 ( 1.210 0.809 -0.502) 1.540 2.399 ( 0.992 -0.425 -1.250) 1.651 2.461 ( -0.549 -1.860 0.440) 1.989 2.507 ( 0.696 -2.304 2.680) 3.602 2.539 ( 3.472 -1.925 1.594) 4.278 2.667 ( -2.348 0.018 -1.126) 2.604 2.770 ( 1.260 -3.116 1.054) 3.522 2.812 ( -0.054 1.831 -0.971) 2.074 2.892 ( 0.348 0.840 -2.277) 2.452 2.905 ( 0.240 -0.600 0.220) 0.683 2.933 ( 1.587 -3.050 2.481) 4.240 2.993 ( -0.285 0.087 0.308) 0.429 3.016 ( 0.373 1.124 0.166) 1.196 3.035 ( 0.604 0.943 1.581) 1.937 3.057 ( 1.955 -0.239 -0.301) 1.992 3.354 ( -0.765 1.635 0.847) 1.994 3.370 ( 0.911 1.705 -0.402) 1.974 3.452 ( -0.876 -0.803 0.429) 1.263 3.473 ( 0.633 -0.115 -0.133) 0.657 3.613 ( -0.704 4.877 -1.412) 5.125 3.667 ( -0.453 3.848 1.854) 4.296 3.790 ( -2.809 -0.149 0.159) 2.818 3.866 ( -2.226 0.206 -0.696) 2.341 3.915 ( 1.882 -3.781 0.691) 4.280 3.947 ( 0.672 -2.078 0.691) 2.290 4.605 ( 0.852 -0.010 -0.881) 1.226 4.618 ( 0.361 -0.581 0.568) 0.889 4.669 ( -4.121 0.830 -2.309) 4.796 4.716 ( -3.907 -1.143 -3.442) 5.331 4.754 ( -3.369 1.028 -0.896) 3.634 4.781 ( -1.797 1.095 0.473) 2.157 4.790 ( 1.871 0.236 -0.002) 1.886 4.841 ( 1.195 -0.497 -0.300) 1.328 5.036 ( 4.413 0.674 -0.375) 4.480 5.127 ( 6.266 -2.744 1.403) 6.983 5.398 ( -0.244 1.682 0.169) 1.708 5.408 ( 0.297 1.678 0.197) 1.715 5.471 ( 1.082 -1.379 -2.074) 2.715 5.513 ( -0.497 -2.388 3.709) 4.439 6.719 ( -0.441 1.142 1.258) 1.755 6.755 ( 0.610 0.422 -0.559) 0.929 6.850 ( -2.125 -0.368 -2.497) 3.299 6.871 ( -1.905 -0.352 -1.243) 2.302 6.970 ( 0.301 -0.040 -0.042) 0.307 6.998 ( -0.341 -1.093 0.357) 1.199 7.028 ( 1.173 0.899 1.624) 2.196 7.055 ( 2.015 0.303 1.886) 2.777 7.929 ( -0.152 0.236 -0.465) 0.544 7.945 ( 0.244 -0.409 0.055) 0.479 ======================= Grid point 116 (61/66) ======================= q-point: ( 0.29 0.25 -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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -3.666 0.810 3.120) 4.882 0.561 ( -1.278 0.350 -1.843) 2.270 0.648 ( -0.136 -2.736 -1.941) 3.357 0.781 ( 2.831 -4.369 -2.452) 5.755 0.848 ( 1.555 2.056 -3.070) 4.009 0.926 ( 1.372 -1.077 -4.882) 5.185 0.978 ( 1.671 0.771 0.681) 1.963 1.052 ( -0.878 -4.312 2.042) 4.851 1.074 ( -0.028 -4.517 2.517) 5.171 1.161 ( 4.253 2.883 -1.665) 5.401 1.206 ( -1.058 -1.783 -5.989) 6.337 1.275 ( 1.088 -0.048 -2.734) 2.943 1.297 ( 0.703 0.953 0.912) 1.494 1.321 ( 2.256 -0.479 -2.112) 3.127 1.439 ( 2.795 2.735 4.007) 5.599 1.512 ( 1.633 1.817 2.310) 3.362 1.641 ( -2.746 1.494 1.226) 3.358 1.670 ( -2.570 1.324 2.115) 3.582 1.740 ( -3.283 1.385 1.831) 4.006 1.777 ( -5.430 0.108 1.297) 5.583 1.860 ( -0.173 -2.610 -3.347) 4.248 1.923 ( -0.774 -0.867 -0.784) 1.401 1.951 ( 0.306 -2.226 -0.748) 2.368 1.975 ( 1.207 0.269 -1.626) 2.043 2.012 ( 0.813 2.125 -1.864) 2.941 2.048 ( -1.849 -1.755 2.355) 3.470 2.050 ( 1.370 -1.265 -1.382) 2.320 2.093 ( -1.936 1.119 -2.961) 3.711 2.133 ( -0.275 0.570 -0.870) 1.076 2.139 ( -3.697 -0.047 -0.081) 3.699 2.205 ( 0.779 1.655 3.024) 3.534 2.261 ( 0.764 1.346 1.228) 1.976 2.281 ( 2.989 1.419 0.167) 3.313 2.336 ( 0.732 2.590 1.913) 3.302 2.359 ( 2.148 1.212 -0.117) 2.469 2.400 ( 0.209 1.737 -0.413) 1.797 2.434 ( 2.810 -2.484 1.770) 4.147 2.473 ( 1.495 -2.167 1.178) 2.884 2.523 ( -0.377 -4.045 1.536) 4.344 2.609 ( 1.092 -2.709 1.754) 3.407 2.623 ( -1.733 0.996 -0.213) 2.010 2.760 ( -1.956 -2.901 -0.663) 3.562 2.818 ( 0.098 2.435 -1.298) 2.761 2.856 ( -1.554 3.633 -2.124) 4.486 2.915 ( 1.526 1.597 -0.055) 2.209 2.969 ( -0.133 -1.054 1.439) 1.789 2.996 ( 0.855 -0.385 0.175) 0.954 3.041 ( 0.788 0.248 0.615) 1.030 3.052 ( 1.002 -1.375 0.953) 1.950 3.096 ( 1.940 -2.240 1.165) 3.185 3.352 ( -0.507 1.210 1.008) 1.655 3.381 ( 0.726 1.547 -0.446) 1.766 3.442 ( -0.734 -1.360 0.296) 1.573 3.476 ( -0.370 -0.852 0.056) 0.930 3.603 ( 0.731 4.700 -0.865) 4.834 3.664 ( -1.957 3.328 1.928) 4.316 3.765 ( -1.038 1.599 1.118) 2.210 3.818 ( -1.674 0.222 -1.816) 2.480 3.926 ( -0.779 -3.357 -0.082) 3.448 3.953 ( -0.613 -2.406 0.304) 2.501 4.555 ( -3.476 0.320 -4.116) 5.396 4.576 ( -3.811 -0.475 -4.207) 5.696 4.621 ( 0.669 -0.224 -0.087) 0.711 4.646 ( -0.161 -0.447 -0.000) 0.475 4.730 ( -0.219 0.749 0.618) 0.995 4.764 ( -1.772 -0.430 1.607) 2.430 4.848 ( 3.382 1.020 0.514) 3.570 4.879 ( 3.397 0.892 -0.696) 3.581 5.100 ( 3.394 0.180 0.496) 3.435 5.206 ( 2.822 -3.583 -0.514) 4.590 5.397 ( -0.178 2.509 0.442) 2.554 5.413 ( 0.168 2.098 -0.056) 2.106 5.482 ( 1.633 -1.270 -0.555) 2.141 5.532 ( -0.806 -2.475 2.301) 3.474 6.727 ( -1.626 1.460 0.182) 2.193 6.748 ( 1.136 2.356 1.557) 3.044 6.786 ( -2.246 -0.411 -2.876) 3.672 6.870 ( 1.578 -2.233 -0.104) 2.737 6.953 ( -0.946 0.145 -2.036) 2.249 6.983 ( -1.580 -0.553 0.505) 1.748 7.063 ( 0.971 0.488 1.813) 2.114 7.103 ( 0.998 -0.981 1.647) 2.161 7.926 ( 0.321 0.353 -0.416) 0.633 7.946 ( -0.157 -0.432 -0.074) 0.465 ======================= Grid point 117 (62/66) ======================= q-point: ( 0.43 0.25 -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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -2.088 -2.294 3.161) 4.429 0.507 ( -1.263 -2.708 -3.651) 4.718 0.696 ( 3.979 -1.662 2.173) 4.829 0.762 ( -0.069 -0.884 -4.681) 4.764 0.900 ( 2.374 -2.636 4.501) 5.731 0.911 ( 3.303 -3.670 -1.710) 5.225 0.986 ( -4.500 -2.541 -2.094) 5.576 1.016 ( -0.079 0.263 -4.731) 4.739 1.119 ( 0.279 -2.272 1.909) 2.980 1.128 ( -1.408 -1.485 1.350) 2.452 1.247 ( 3.635 1.694 0.038) 4.011 1.258 ( 1.174 1.003 -2.660) 3.075 1.314 ( 3.858 1.975 0.389) 4.352 1.386 ( 1.597 -0.774 0.321) 1.804 1.509 ( -0.436 3.024 3.668) 4.774 1.526 ( -1.485 3.336 -0.426) 3.677 1.577 ( -3.185 0.492 -0.428) 3.251 1.618 ( -2.969 -0.680 -1.745) 3.510 1.722 ( 1.555 1.340 4.670) 5.101 1.791 ( -0.203 2.853 -0.251) 2.871 1.836 ( 1.719 -3.349 0.589) 3.811 1.925 ( -2.498 -0.033 -1.248) 2.793 1.936 ( 0.152 -1.289 -0.005) 1.298 1.971 ( -1.291 -2.310 -3.108) 4.081 1.996 ( 0.915 -0.417 -1.427) 1.746 2.006 ( 1.460 2.034 -0.405) 2.536 2.028 ( -1.719 -1.380 0.335) 2.230 2.058 ( -3.784 0.229 0.179) 3.795 2.103 ( 1.868 1.357 -1.430) 2.715 2.124 ( -1.377 1.563 0.469) 2.135 2.233 ( -0.618 1.825 2.991) 3.558 2.260 ( -0.105 -0.187 -3.245) 3.252 2.329 ( 1.896 2.029 1.496) 3.154 2.356 ( -0.387 3.095 0.157) 3.123 2.406 ( 2.645 -0.032 0.115) 2.648 2.420 ( 1.041 -1.753 1.349) 2.444 2.497 ( 2.863 0.107 0.950) 3.018 2.518 ( 1.333 -2.607 0.094) 2.930 2.540 ( 0.684 -3.031 3.374) 4.587 2.597 ( -1.798 0.287 -0.461) 1.878 2.614 ( 0.097 -2.348 0.942) 2.532 2.688 ( -4.292 -2.180 -2.932) 5.636 2.805 ( 0.184 4.810 -0.538) 4.844 2.818 ( -1.146 4.729 -0.950) 4.958 2.943 ( 1.852 1.015 -0.500) 2.170 2.964 ( -1.433 0.370 0.795) 1.680 3.019 ( 1.357 -1.112 0.197) 1.766 3.038 ( -0.818 -0.637 0.013) 1.037 3.095 ( 2.313 -2.831 0.656) 3.715 3.121 ( -0.495 -3.219 0.810) 3.356 3.361 ( 0.329 1.257 1.178) 1.754 3.379 ( -0.266 1.762 -1.018) 2.052 3.440 ( 0.505 -2.005 0.301) 2.089 3.461 ( -1.309 -1.621 -0.202) 2.093 3.617 ( 1.634 4.309 -0.443) 4.629 3.643 ( -2.220 3.850 1.005) 4.556 3.772 ( -0.041 1.250 1.595) 2.027 3.787 ( -0.206 0.161 -1.661) 1.681 3.914 ( 0.433 -2.381 -0.672) 2.512 3.932 ( -1.836 -2.178 0.128) 2.851 4.493 ( -0.529 -0.025 -1.826) 1.901 4.502 ( -1.628 -0.362 -1.631) 2.333 4.633 ( 0.862 0.143 -0.138) 0.884 4.644 ( -0.621 0.102 0.345) 0.718 4.738 ( 0.772 -0.305 -0.211) 0.856 4.750 ( -1.372 -0.557 1.001) 1.788 4.898 ( 1.359 1.757 1.660) 2.773 4.914 ( 1.620 1.977 -1.673) 3.055 5.161 ( 2.741 -2.062 1.871) 3.907 5.211 ( -0.691 -3.578 -1.863) 4.093 5.401 ( 0.050 3.128 0.712) 3.209 5.410 ( -0.142 2.819 -0.618) 2.890 5.508 ( 1.650 -1.624 -0.027) 2.315 5.529 ( -1.252 -2.153 0.741) 2.599 6.709 ( -0.519 0.996 0.776) 1.365 6.729 ( -1.421 0.399 -1.794) 2.323 6.807 ( 3.005 1.799 1.970) 4.018 6.870 ( -2.184 0.645 -1.018) 2.494 6.933 ( 1.757 -1.562 -1.659) 2.877 6.958 ( -2.066 -1.166 0.618) 2.451 7.093 ( 0.901 -0.221 1.340) 1.630 7.113 ( -0.497 -0.993 -0.079) 1.113 7.931 ( 0.611 0.144 -0.225) 0.667 7.940 ( -0.516 -0.197 0.015) 0.553 ======================= Grid point 121 (63/66) ======================= q-point: ( 0.00 -0.50 -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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.000 0.000 0.000) 0.000 0.572 ( -0.000 0.000 0.000) 0.000 0.737 ( -0.000 -0.000 0.000) 0.000 0.737 ( -0.000 0.000 0.000) 0.000 0.882 ( 0.000 0.000 0.000) 0.000 0.882 ( 0.000 0.000 0.000) 0.000 1.036 ( -0.000 -0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.224 ( 0.000 0.000 0.000) 0.000 1.224 ( -0.000 0.000 0.000) 0.000 1.254 ( 0.000 -0.000 0.000) 0.000 1.254 ( -0.000 0.000 0.000) 0.000 1.538 ( 0.000 0.000 0.000) 0.000 1.538 ( 0.000 0.000 0.000) 0.000 1.670 ( -0.000 -0.000 0.000) 0.000 1.670 ( -0.000 0.000 0.000) 0.000 1.833 ( 0.000 -0.000 0.000) 0.000 1.833 ( 0.000 -0.000 0.000) 0.000 1.837 ( -0.000 0.000 -0.000) 0.000 1.837 ( -0.000 0.000 -0.000) 0.000 2.006 ( -0.000 0.000 0.000) 0.000 2.006 ( -0.000 -0.000 0.000) 0.000 2.039 ( -0.000 -0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.108 ( -0.000 0.000 -0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.128 ( -0.000 -0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 -0.000 0.000) 0.000 2.290 ( -0.000 0.000 0.000) 0.000 2.367 ( -0.000 0.000 0.000) 0.000 2.367 ( 0.000 0.000 0.000) 0.000 2.448 ( -0.000 -0.000 0.000) 0.000 2.448 ( -0.000 0.000 0.000) 0.000 2.454 ( -0.000 -0.000 -0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.714 ( -0.000 0.000 0.000) 0.000 2.714 ( -0.000 0.000 0.000) 0.000 2.841 ( -0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.889 ( 0.000 -0.000 0.000) 0.000 2.889 ( -0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 -0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.044 ( -0.000 0.000 0.000) 0.000 3.044 ( -0.000 0.000 0.000) 0.000 3.383 ( 0.000 -0.000 0.000) 0.000 3.383 ( -0.000 0.000 0.000) 0.000 3.459 ( -0.000 0.000 0.000) 0.000 3.459 ( 0.000 0.000 0.000) 0.000 3.723 ( -0.000 0.000 0.000) 0.000 3.723 ( -0.000 0.000 0.000) 0.000 3.804 ( -0.000 0.000 0.000) 0.000 3.804 ( -0.000 0.000 0.000) 0.000 3.899 ( -0.000 0.000 0.000) 0.000 3.899 ( -0.000 0.000 0.000) 0.000 4.602 ( -0.000 0.000 0.000) 0.000 4.602 ( -0.000 0.000 0.000) 0.000 4.742 ( 0.000 0.000 0.000) 0.000 4.742 ( -0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.992 ( 0.000 0.000 0.000) 0.000 4.992 ( -0.000 0.000 0.000) 0.000 5.435 ( -0.000 -0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 -0.000 -0.000) 0.000 5.446 ( -0.000 0.000 0.000) 0.000 6.732 ( -0.000 0.000 0.000) 0.000 6.732 ( -0.000 0.000 0.000) 0.000 6.912 ( -0.000 0.000 0.000) 0.000 6.912 ( -0.000 0.000 0.000) 0.000 6.956 ( -0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.031 ( -0.000 0.000 0.000) 0.000 7.031 ( -0.000 0.000 0.000) 0.000 7.936 ( -0.000 0.000 0.000) 0.000 7.936 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 125 (64/66) ======================= q-point: ( 0.14 -0.50 -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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -0.810 -1.985 0.410) 2.183 0.569 ( -0.810 1.985 0.410) 2.183 0.716 ( -2.372 -2.650 -0.859) 3.659 0.716 ( -2.372 2.650 -0.859) 3.659 0.915 ( 4.232 -1.834 -2.747) 5.368 0.915 ( 4.232 1.834 -2.747) 5.368 0.973 ( -3.983 -2.904 -1.184) 5.070 0.973 ( -3.983 2.904 -1.184) 5.070 1.067 ( -0.164 -2.177 2.033) 2.984 1.067 ( -0.164 2.177 2.033) 2.984 1.248 ( 2.822 -3.198 -0.494) 4.293 1.248 ( 2.822 3.198 -0.494) 4.293 1.281 ( 2.546 -1.515 -2.214) 3.698 1.281 ( 2.546 1.515 -2.214) 3.698 1.491 ( -2.957 -2.239 -1.192) 3.896 1.491 ( -2.957 2.239 -1.192) 3.896 1.718 ( 0.509 -5.107 5.455) 7.490 1.718 ( 0.509 5.107 5.455) 7.490 1.770 ( -2.227 -5.370 -1.381) 5.975 1.770 ( -2.227 5.370 -1.381) 5.975 1.877 ( 1.277 -2.837 -1.838) 3.613 1.877 ( 1.277 2.837 -1.838) 3.613 1.976 ( -2.104 -0.417 -1.077) 2.400 1.976 ( -2.104 0.417 -1.077) 2.400 2.020 ( -0.228 -2.663 -1.988) 3.331 2.020 ( -0.228 2.663 -1.988) 3.331 2.104 ( 1.087 -4.025 -0.437) 4.192 2.104 ( 1.087 4.025 -0.437) 4.192 2.163 ( -0.232 -0.227 1.514) 1.548 2.163 ( -0.232 0.227 1.514) 1.548 2.221 ( -0.530 -1.143 0.595) 1.393 2.221 ( -0.530 1.143 0.595) 1.393 2.299 ( 1.316 -0.937 1.101) 1.956 2.299 ( 1.316 0.937 1.101) 1.956 2.391 ( 1.606 -1.884 0.317) 2.495 2.391 ( 1.606 1.884 0.317) 2.495 2.403 ( -2.407 -3.894 0.425) 4.598 2.403 ( -2.407 3.894 0.425) 4.598 2.501 ( 2.233 -3.253 0.504) 3.977 2.501 ( 2.233 3.253 0.504) 3.977 2.695 ( -1.413 -3.269 0.124) 3.563 2.695 ( -1.413 3.269 0.124) 3.563 2.864 ( 2.701 -2.754 -1.547) 4.156 2.864 ( 2.701 2.754 -1.547) 4.156 2.908 ( 0.356 -0.392 2.858) 2.906 2.908 ( 0.356 0.392 2.858) 2.906 3.013 ( 0.548 -1.407 -0.570) 1.614 3.013 ( 0.548 1.407 -0.570) 1.614 3.047 ( -0.267 -0.535 1.018) 1.180 3.047 ( -0.267 0.535 1.018) 1.180 3.381 ( -0.354 -0.749 0.237) 0.862 3.381 ( -0.354 0.749 0.237) 0.862 3.458 ( -0.171 -1.137 -0.054) 1.151 3.458 ( -0.171 1.137 -0.054) 1.151 3.701 ( -1.052 -2.757 -0.885) 3.081 3.701 ( -1.052 2.757 -0.885) 3.081 3.819 ( 0.055 -4.730 0.727) 4.786 3.819 ( 0.055 4.730 0.727) 4.786 3.898 ( -0.414 -2.558 0.656) 2.673 3.898 ( -0.414 2.558 0.656) 2.673 4.608 ( 0.546 -0.358 0.024) 0.653 4.608 ( 0.546 0.358 0.024) 0.653 4.691 ( -4.341 -1.313 -3.423) 5.682 4.691 ( -4.341 1.313 -3.423) 5.682 4.774 ( -2.763 -0.849 0.090) 2.892 4.774 ( -2.763 0.849 0.090) 2.892 4.820 ( 2.053 -1.638 -0.215) 2.635 4.820 ( 2.053 1.638 -0.215) 2.635 5.069 ( 5.296 -2.631 0.328) 5.923 5.069 ( 5.296 2.631 0.328) 5.923 5.434 ( 0.285 -1.544 -0.027) 1.570 5.434 ( 0.285 1.544 -0.027) 1.570 5.458 ( 0.282 -2.595 1.217) 2.880 5.458 ( 0.282 2.595 1.217) 2.880 6.746 ( 1.514 -1.280 0.156) 1.989 6.746 ( 1.514 1.280 0.156) 1.989 6.857 ( -3.241 -0.921 -2.028) 3.933 6.857 ( -3.241 0.921 -2.028) 3.933 6.977 ( 0.231 -0.793 0.390) 0.913 6.977 ( 0.231 0.793 0.390) 0.913 7.049 ( 0.991 -0.879 1.743) 2.189 7.049 ( 0.991 0.879 1.743) 2.189 7.936 ( 0.082 -0.456 -0.201) 0.505 7.936 ( 0.082 0.456 -0.201) 0.505 ======================= Grid point 127 (65/66) ======================= q-point: ( 0.29 -0.50 -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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.540 ( -4.653 -2.198 1.361) 5.323 0.540 ( -4.653 2.198 1.361) 5.323 0.668 ( 0.713 -4.826 -2.416) 5.444 0.668 ( 0.713 4.826 -2.416) 5.444 0.884 ( -0.073 -2.940 -5.747) 6.455 0.884 ( -0.073 2.940 -5.747) 6.455 0.995 ( 2.167 -2.219 5.007) 5.890 0.995 ( 2.167 2.219 5.007) 5.890 1.102 ( 0.158 -4.962 -1.538) 5.197 1.102 ( 0.158 4.962 -1.538) 5.197 1.263 ( 3.337 -4.024 -3.869) 6.504 1.263 ( 3.337 4.024 -3.869) 6.504 1.291 ( 1.137 -1.457 -0.644) 1.957 1.291 ( 1.137 1.457 -0.644) 1.957 1.501 ( 2.064 -2.613 4.451) 5.559 1.501 ( 2.064 2.613 4.451) 5.559 1.688 ( -3.718 -2.207 -2.005) 4.767 1.688 ( -3.718 2.207 -2.005) 4.767 1.747 ( -3.670 -1.887 2.348) 4.748 1.747 ( -3.670 1.887 2.348) 4.748 1.881 ( 1.038 -3.106 -0.790) 3.369 1.881 ( 1.038 3.106 -0.790) 3.369 1.953 ( -0.082 -3.033 0.521) 3.079 1.953 ( -0.082 3.033 0.521) 3.079 2.013 ( 0.776 -2.323 -1.387) 2.815 2.013 ( 0.776 2.323 -1.387) 2.815 2.079 ( -1.499 -2.693 -3.553) 4.704 2.079 ( -1.499 2.693 -3.553) 4.704 2.146 ( -1.572 -1.897 0.314) 2.484 2.146 ( -1.572 1.897 0.314) 2.484 2.250 ( 0.687 -2.159 1.843) 2.920 2.250 ( 0.687 2.159 1.843) 2.920 2.350 ( 3.631 -4.457 0.934) 5.824 2.350 ( 3.631 4.457 0.934) 5.824 2.388 ( 0.408 -3.078 0.854) 3.220 2.388 ( 0.408 3.078 0.854) 3.220 2.412 ( 0.323 -1.733 0.489) 1.829 2.412 ( 0.323 1.733 0.489) 1.829 2.531 ( 0.626 -4.157 1.398) 4.430 2.531 ( 0.626 4.157 1.398) 4.430 2.679 ( -1.470 -3.995 0.376) 4.274 2.679 ( -1.470 3.995 0.376) 4.274 2.884 ( 1.864 -2.401 -2.205) 3.755 2.884 ( 1.864 2.401 -2.205) 3.755 2.934 ( -0.007 -1.855 1.273) 2.250 2.934 ( -0.007 1.855 1.273) 2.250 3.023 ( 0.357 -1.889 0.862) 2.107 3.023 ( 0.357 1.889 0.862) 2.107 3.052 ( -0.304 -1.264 1.332) 1.861 3.052 ( -0.304 1.264 1.332) 1.861 3.380 ( 0.071 -1.437 0.447) 1.507 3.380 ( 0.071 1.437 0.447) 1.507 3.448 ( -0.833 -1.672 -0.407) 1.912 3.448 ( -0.833 1.672 -0.407) 1.912 3.686 ( -0.236 -2.577 -0.286) 2.604 3.686 ( -0.236 2.577 -0.286) 2.604 3.807 ( -1.313 -3.286 -0.194) 3.544 3.807 ( -1.313 3.286 -0.194) 3.544 3.896 ( -0.669 -2.352 0.638) 2.528 3.896 ( -0.669 2.352 0.638) 2.528 4.564 ( -3.834 -0.602 -3.980) 5.559 4.564 ( -3.834 0.602 -3.980) 5.559 4.629 ( 0.729 -0.900 -0.318) 1.201 4.629 ( 0.729 0.900 -0.318) 1.201 4.749 ( -1.504 -0.967 1.212) 2.160 4.749 ( -1.504 0.967 1.212) 2.160 4.875 ( 3.849 -1.252 0.270) 4.057 4.875 ( 3.849 1.252 0.270) 4.057 5.133 ( 2.736 -3.208 -0.671) 4.269 5.133 ( 2.736 3.208 -0.671) 4.269 5.445 ( 0.537 -1.669 0.734) 1.901 5.445 ( 0.537 1.669 0.734) 1.901 5.471 ( 0.188 -3.031 0.626) 3.101 5.471 ( 0.188 3.031 0.626) 3.101 6.760 ( -0.839 -1.533 -1.144) 2.089 6.760 ( -0.839 1.533 -1.144) 2.089 6.812 ( 0.693 -3.255 0.204) 3.334 6.812 ( 0.693 3.255 0.204) 3.334 6.965 ( -1.357 -0.985 -0.561) 1.768 6.965 ( -1.357 0.985 -0.561) 1.768 7.080 ( 0.541 -1.172 1.653) 2.097 7.080 ( 0.541 1.172 1.653) 2.097 7.935 ( 0.110 -0.556 -0.251) 0.620 7.935 ( 0.110 0.556 -0.251) 0.620 ======================= Grid point 129 (66/66) ======================= q-point: ( 0.43 -0.50 -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 5.87e-04 5.87e-04 5.87e-04 5.87e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -3.113 -0.965 -0.233) 3.268 0.467 ( -3.113 0.965 -0.233) 3.268 0.700 ( 2.083 -2.928 0.438) 3.620 0.700 ( 2.083 2.928 0.438) 3.620 0.867 ( 2.274 -0.786 -0.459) 2.450 0.867 ( 2.274 0.786 -0.459) 2.450 1.000 ( -3.956 -1.928 -5.041) 6.692 1.000 ( -3.956 1.928 -5.041) 6.692 1.102 ( 2.431 -0.790 4.561) 5.229 1.102 ( 2.431 0.790 4.561) 5.229 1.262 ( -0.136 -0.801 -3.226) 3.327 1.262 ( -0.136 0.801 -3.226) 3.327 1.356 ( 4.364 -2.136 1.197) 5.004 1.356 ( 4.364 2.136 1.197) 5.004 1.553 ( -0.319 -1.359 2.433) 2.805 1.553 ( -0.319 1.359 2.433) 2.805 1.602 ( -4.176 -1.704 -1.902) 4.895 1.602 ( -4.176 1.704 -1.902) 4.895 1.762 ( 2.988 -2.813 5.010) 6.477 1.762 ( 2.988 2.813 5.010) 6.477 1.866 ( -2.270 -3.928 -3.185) 5.543 1.866 ( -2.270 3.928 -3.185) 5.543 1.948 ( 0.432 -1.548 -1.494) 2.194 1.948 ( 0.432 1.548 -1.494) 2.194 1.996 ( -0.960 -1.291 -1.303) 2.070 1.996 ( -0.960 1.291 -1.303) 2.070 2.045 ( -0.111 -1.497 -0.119) 1.506 2.045 ( -0.111 1.497 -0.119) 1.506 2.135 ( -0.059 -1.384 0.061) 1.386 2.135 ( -0.059 1.384 0.061) 1.386 2.253 ( -0.676 -0.919 0.227) 1.163 2.253 ( -0.676 0.919 0.227) 1.163 2.388 ( -0.918 -1.832 1.155) 2.352 2.388 ( -0.918 1.832 1.155) 2.352 2.407 ( 1.535 -0.081 -0.931) 1.797 2.407 ( 1.535 0.081 -0.931) 1.797 2.459 ( 3.292 -1.183 1.844) 3.955 2.459 ( 3.292 1.183 1.844) 3.955 2.558 ( 0.945 -2.653 1.980) 3.443 2.558 ( 0.945 2.653 1.980) 3.443 2.636 ( -2.879 -2.681 -1.541) 4.225 2.636 ( -2.879 2.681 -1.541) 4.225 2.886 ( 0.527 -1.105 -1.129) 1.666 2.886 ( 0.527 1.105 -1.129) 1.666 2.936 ( -0.149 -1.283 0.135) 1.299 2.936 ( -0.149 1.283 0.135) 1.299 3.031 ( -0.134 -1.067 0.532) 1.200 3.031 ( -0.134 1.067 0.532) 1.200 3.064 ( 0.109 -1.287 0.934) 1.594 3.064 ( 0.109 1.287 0.934) 1.594 3.394 ( 0.897 -1.837 0.768) 2.184 3.394 ( 0.897 1.837 0.768) 2.184 3.424 ( -1.281 -1.860 -0.877) 2.423 3.424 ( -1.281 1.860 -0.877) 2.423 3.683 ( -0.081 -1.085 0.073) 1.091 3.683 ( -0.081 1.085 0.073) 1.091 3.789 ( -0.412 -0.887 -0.318) 1.028 3.789 ( -0.412 0.887 -0.318) 1.028 3.889 ( -0.473 -1.138 0.195) 1.247 3.889 ( -0.473 1.138 0.195) 1.247 4.495 ( -1.140 -0.235 -1.720) 2.077 4.495 ( -1.140 0.235 -1.720) 2.077 4.640 ( 0.408 -0.426 0.111) 0.600 4.640 ( 0.408 0.426 0.111) 0.600 4.739 ( -0.638 -0.413 0.398) 0.858 4.739 ( -0.638 0.413 0.398) 0.858 4.931 ( 1.956 -0.781 0.419) 2.148 4.931 ( 1.956 0.781 0.419) 2.148 5.151 ( 0.564 -1.631 -0.566) 1.817 5.151 ( 0.564 1.631 -0.566) 1.817 5.460 ( 0.270 -1.298 0.590) 1.451 5.460 ( 0.270 1.298 0.590) 1.451 5.476 ( 0.055 -1.922 -0.025) 1.923 5.476 ( 0.055 1.922 -0.025) 1.923 6.727 ( -0.967 -0.632 -0.646) 1.323 6.727 ( -0.967 0.632 -0.646) 1.323 6.853 ( 2.200 -2.406 0.856) 3.371 6.853 ( 2.200 2.406 0.856) 3.371 6.929 ( -1.864 -1.345 -0.800) 2.434 6.929 ( -1.864 1.345 -0.800) 2.434 7.095 ( 0.097 -0.563 0.587) 0.819 7.095 ( 0.097 0.563 0.587) 0.819 7.935 ( 0.051 -0.242 -0.112) 0.272 7.935 ( 0.051 0.242 -0.112) 0.272 =================== 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 3/14112 10.0 4.230 2.926 4.682 0.000 0.182 0.000 3/14112 20.0 1.565 1.108 1.849 0.000 0.197 0.000 3/14112 30.0 0.857 0.619 1.029 0.000 0.130 0.000 3/14112 40.0 0.572 0.420 0.690 0.000 0.093 0.000 3/14112 50.0 0.428 0.318 0.517 0.000 0.071 0.000 3/14112 60.0 0.342 0.257 0.414 0.000 0.058 0.000 3/14112 70.0 0.286 0.216 0.346 0.000 0.049 0.000 3/14112 80.0 0.247 0.188 0.298 0.000 0.042 0.000 3/14112 90.0 0.218 0.166 0.262 0.000 0.037 0.000 3/14112 100.0 0.195 0.149 0.235 0.000 0.033 0.000 3/14112 110.0 0.177 0.136 0.212 0.000 0.030 0.000 3/14112 120.0 0.162 0.124 0.194 0.000 0.028 0.000 3/14112 130.0 0.149 0.115 0.179 0.000 0.026 0.000 3/14112 140.0 0.138 0.107 0.166 0.000 0.024 0.000 3/14112 150.0 0.129 0.100 0.155 0.000 0.022 0.000 3/14112 160.0 0.121 0.094 0.145 0.000 0.021 0.000 3/14112 170.0 0.114 0.089 0.137 0.000 0.020 0.000 3/14112 180.0 0.108 0.084 0.129 0.000 0.018 0.000 3/14112 190.0 0.102 0.080 0.122 0.000 0.018 0.000 3/14112 200.0 0.097 0.076 0.116 0.000 0.017 0.000 3/14112 210.0 0.093 0.072 0.111 0.000 0.016 0.000 3/14112 220.0 0.089 0.069 0.106 0.000 0.015 0.000 3/14112 230.0 0.085 0.066 0.101 0.000 0.015 0.000 3/14112 240.0 0.081 0.063 0.097 0.000 0.014 0.000 3/14112 250.0 0.078 0.061 0.093 0.000 0.013 0.000 3/14112 260.0 0.075 0.059 0.090 0.000 0.013 0.000 3/14112 270.0 0.073 0.057 0.086 0.000 0.012 0.000 3/14112 280.0 0.070 0.055 0.083 0.000 0.012 0.000 3/14112 290.0 0.068 0.053 0.081 0.000 0.012 0.000 3/14112 300.0 0.066 0.051 0.078 0.000 0.011 0.000 3/14112 310.0 0.063 0.050 0.075 0.000 0.011 0.000 3/14112 320.0 0.062 0.048 0.073 0.000 0.011 0.000 3/14112 330.0 0.060 0.047 0.071 0.000 0.010 0.000 3/14112 340.0 0.058 0.045 0.069 0.000 0.010 0.000 3/14112 350.0 0.056 0.044 0.067 0.000 0.010 0.000 3/14112 360.0 0.055 0.043 0.065 0.000 0.009 0.000 3/14112 370.0 0.053 0.042 0.063 0.000 0.009 0.000 3/14112 380.0 0.052 0.041 0.062 0.000 0.009 0.000 3/14112 390.0 0.051 0.040 0.060 0.000 0.009 0.000 3/14112 400.0 0.050 0.039 0.059 0.000 0.008 0.000 3/14112 410.0 0.048 0.038 0.057 0.000 0.008 0.000 3/14112 420.0 0.047 0.037 0.056 0.000 0.008 0.000 3/14112 430.0 0.046 0.036 0.055 0.000 0.008 0.000 3/14112 440.0 0.045 0.035 0.053 0.000 0.008 0.000 3/14112 450.0 0.044 0.034 0.052 0.000 0.008 0.000 3/14112 460.0 0.043 0.034 0.051 0.000 0.007 0.000 3/14112 470.0 0.042 0.033 0.050 0.000 0.007 0.000 3/14112 480.0 0.041 0.032 0.049 0.000 0.007 0.000 3/14112 490.0 0.041 0.032 0.048 0.000 0.007 0.000 3/14112 500.0 0.040 0.031 0.047 0.000 0.007 0.000 3/14112 510.0 0.039 0.031 0.046 0.000 0.007 0.000 3/14112 520.0 0.038 0.030 0.045 0.000 0.007 0.000 3/14112 530.0 0.038 0.029 0.045 0.000 0.006 0.000 3/14112 540.0 0.037 0.029 0.044 0.000 0.006 0.000 3/14112 550.0 0.036 0.028 0.043 0.000 0.006 0.000 3/14112 560.0 0.036 0.028 0.042 0.000 0.006 0.000 3/14112 570.0 0.035 0.027 0.041 0.000 0.006 0.000 3/14112 580.0 0.034 0.027 0.041 0.000 0.006 0.000 3/14112 590.0 0.034 0.026 0.040 0.000 0.006 0.000 3/14112 600.0 0.033 0.026 0.039 0.000 0.006 0.000 3/14112 610.0 0.033 0.026 0.039 0.000 0.006 0.000 3/14112 620.0 0.032 0.025 0.038 0.000 0.006 0.000 3/14112 630.0 0.032 0.025 0.038 0.000 0.005 0.000 3/14112 640.0 0.031 0.024 0.037 0.000 0.005 0.000 3/14112 650.0 0.031 0.024 0.036 0.000 0.005 0.000 3/14112 660.0 0.030 0.024 0.036 0.000 0.005 0.000 3/14112 670.0 0.030 0.023 0.035 0.000 0.005 0.000 3/14112 680.0 0.029 0.023 0.035 0.000 0.005 0.000 3/14112 690.0 0.029 0.023 0.034 0.000 0.005 0.000 3/14112 700.0 0.029 0.022 0.034 0.000 0.005 0.000 3/14112 710.0 0.028 0.022 0.033 0.000 0.005 0.000 3/14112 720.0 0.028 0.022 0.033 0.000 0.005 0.000 3/14112 730.0 0.027 0.021 0.032 0.000 0.005 0.000 3/14112 740.0 0.027 0.021 0.032 0.000 0.005 0.000 3/14112 750.0 0.027 0.021 0.032 0.000 0.005 0.000 3/14112 760.0 0.026 0.021 0.031 0.000 0.005 0.000 3/14112 770.0 0.026 0.020 0.031 0.000 0.004 0.000 3/14112 780.0 0.026 0.020 0.030 0.000 0.004 0.000 3/14112 790.0 0.025 0.020 0.030 0.000 0.004 0.000 3/14112 800.0 0.025 0.020 0.030 0.000 0.004 0.000 3/14112 810.0 0.025 0.019 0.029 0.000 0.004 0.000 3/14112 820.0 0.025 0.019 0.029 0.000 0.004 0.000 3/14112 830.0 0.024 0.019 0.029 0.000 0.004 0.000 3/14112 840.0 0.024 0.019 0.028 0.000 0.004 0.000 3/14112 850.0 0.024 0.019 0.028 0.000 0.004 0.000 3/14112 860.0 0.023 0.018 0.028 0.000 0.004 0.000 3/14112 870.0 0.023 0.018 0.027 0.000 0.004 0.000 3/14112 880.0 0.023 0.018 0.027 0.000 0.004 0.000 3/14112 890.0 0.023 0.018 0.027 0.000 0.004 0.000 3/14112 900.0 0.022 0.018 0.026 0.000 0.004 0.000 3/14112 910.0 0.022 0.017 0.026 0.000 0.004 0.000 3/14112 920.0 0.022 0.017 0.026 0.000 0.004 0.000 3/14112 930.0 0.022 0.017 0.026 0.000 0.004 0.000 3/14112 940.0 0.021 0.017 0.025 0.000 0.004 0.000 3/14112 950.0 0.021 0.017 0.025 0.000 0.004 0.000 3/14112 960.0 0.021 0.016 0.025 0.000 0.004 0.000 3/14112 970.0 0.021 0.016 0.025 0.000 0.004 0.000 3/14112 980.0 0.021 0.016 0.024 0.000 0.004 0.000 3/14112 990.0 0.020 0.016 0.024 0.000 0.003 0.000 3/14112 1000.0 0.020 0.016 0.024 0.000 0.003 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m746.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:50:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|