----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:54:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.543315785620212 0.000000000000000 0.000000000000000 b 0.000000000000000 12.027746380000004 0.000000000000000 c -1.179546163193360 0.000000000000000 7.535039524725922 Atomic positions (fractional): *1 Na 0.51591935753504 0.24787662772514 0.99592429063434 22.990 *2 Na 0.73997978191763 0.69586864891753 0.54955318607249 22.990 3 Na 0.51591935753504 0.25212337227486 0.49592429063434 22.990 *4 Na 0.97569490387605 0.73039242638166 0.42070495754665 22.990 *5 Na 0.86957407904313 0.08837632278182 0.39007912038719 22.990 6 Na 0.13042592095687 0.58837632278182 0.10992087961281 22.990 *7 Na 0.25489833408167 0.66742928742273 0.50613779363463 22.990 8 Na 0.48408064246496 0.75212337227486 0.00407570936566 22.990 9 Na 0.26002021808237 0.30413135108246 0.45044681392752 22.990 10 Na 0.13042592095687 0.91162367721818 0.60992087961281 22.990 11 Na 0.02430509612395 0.26960757361834 0.57929504245335 22.990 12 Na 0.74510166591833 0.33257071257727 0.49386220636537 22.990 13 Na 0.73997978191763 0.80413135108247 0.04955318607249 22.990 14 Na 0.26002021808237 0.19586864891753 0.95044681392751 22.990 *15 Na 0.69467647026987 0.51458158594410 0.08250223427188 22.990 16 Na 0.86957407904313 0.41162367721818 0.89007912038719 22.990 17 Na 0.30532352973013 0.01458158594410 0.41749776572813 22.990 18 Na 0.69467647026987 0.98541841405590 0.58250223427187 22.990 19 Na 0.02430509612395 0.23039242638165 0.07929504245335 22.990 20 Na 0.25489833408167 0.83257071257727 0.00613779363463 22.990 21 Na 0.48408064246496 0.74787662772514 0.50407570936566 22.990 22 Na 0.30532352973013 0.48541841405590 0.91749776572813 22.990 23 Na 0.74510166591833 0.16742928742273 0.99386220636537 22.990 24 Na 0.97569490387605 0.76960757361834 0.92070495754665 22.990 *25 Ga 0.42601389805669 0.49406787107946 0.31919728386755 69.723 *26 Ga 0.93500476275409 0.02252811848119 0.81366761981975 69.723 27 Ga 0.57398610194331 0.50593212892054 0.68080271613245 69.723 28 Ga 0.42601389805669 0.00593212892054 0.81919728386755 69.723 29 Ga 0.06499523724591 0.52252811848119 0.68633238018025 69.723 30 Ga 0.93500476275409 0.47747188151881 0.31366761981975 69.723 31 Ga 0.06499523724591 0.97747188151881 0.18633238018025 69.723 32 Ga 0.57398610194331 0.99406787107946 0.18080271613245 69.723 *33 S 0.13057295334031 0.81247671321603 0.26551794887110 32.065 *34 S 0.65185745201194 0.35616344456940 0.80831789802555 32.065 *35 S 0.59920196470019 0.50820770034436 0.38299789628728 32.065 36 S 0.86942704665969 0.31247671321603 0.23448205112890 32.065 37 S 0.40079803529981 0.49179229965564 0.61700210371272 32.065 *38 S 0.89287740028239 0.53263297894136 0.58589657020675 32.065 39 S 0.10712259971761 0.46736702105864 0.41410342979325 32.065 40 S 0.40079803529981 0.00820770034436 0.11700210371272 32.065 41 S 0.89287740028239 0.96736702105864 0.08589657020675 32.065 42 S 0.13057295334031 0.68752328678397 0.76551794887110 32.065 *43 S 0.62014650160638 0.83088503064450 0.30730506304815 32.065 44 S 0.37985349839362 0.16911496935550 0.69269493695185 32.065 45 S 0.86942704665969 0.18752328678397 0.73448205112890 32.065 *46 S 0.88856255521641 0.60998096182724 0.11118078279592 32.065 47 S 0.65185745201194 0.14383655543060 0.30831789802555 32.065 48 S 0.59920196470019 0.99179229965564 0.88299789628728 32.065 49 S 0.88856255521641 0.89001903817276 0.61118078279592 32.065 50 S 0.11143744478359 0.39001903817276 0.88881921720408 32.065 51 S 0.10712259971761 0.03263297894136 0.91410342979325 32.065 52 S 0.34814254798806 0.64383655543060 0.19168210197445 32.065 53 S 0.62014650160638 0.66911496935550 0.80730506304815 32.065 54 S 0.11143744478359 0.10998096182724 0.38881921720408 32.065 55 S 0.34814254798806 0.85616344456940 0.69168210197445 32.065 56 S 0.37985349839362 0.33088503064449 0.19269493695185 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.543315785620212 0.000000000000000 0.000000000000000 b 0.000000000000000 12.027746380000004 0.000000000000000 c -1.179546163193360 0.000000000000000 7.535039524725922 Atomic positions (fractional): *1 Na 0.51591935753504 0.24787662772514 0.99592429063434 22.990 > 1 *2 Na 0.73997978191763 0.69586864891753 0.54955318607249 22.990 > 2 3 Na 0.51591935753504 0.25212337227486 0.49592429063434 22.990 > 3 *4 Na 0.97569490387605 0.73039242638166 0.42070495754665 22.990 > 4 *5 Na 0.86957407904313 0.08837632278182 0.39007912038719 22.990 > 5 6 Na 0.13042592095687 0.58837632278182 0.10992087961281 22.990 > 6 *7 Na 0.25489833408167 0.66742928742273 0.50613779363463 22.990 > 7 8 Na 0.48408064246496 0.75212337227486 0.00407570936566 22.990 > 8 9 Na 0.26002021808237 0.30413135108246 0.45044681392752 22.990 > 9 10 Na 0.13042592095687 0.91162367721818 0.60992087961281 22.990 > 10 11 Na 0.02430509612395 0.26960757361834 0.57929504245335 22.990 > 11 12 Na 0.74510166591833 0.33257071257727 0.49386220636537 22.990 > 12 13 Na 0.73997978191763 0.80413135108247 0.04955318607249 22.990 > 13 14 Na 0.26002021808237 0.19586864891753 0.95044681392751 22.990 > 14 *15 Na 0.69467647026987 0.51458158594410 0.08250223427188 22.990 > 15 16 Na 0.86957407904313 0.41162367721818 0.89007912038719 22.990 > 16 17 Na 0.30532352973013 0.01458158594410 0.41749776572813 22.990 > 17 18 Na 0.69467647026987 0.98541841405590 0.58250223427187 22.990 > 18 19 Na 0.02430509612395 0.23039242638165 0.07929504245335 22.990 > 19 20 Na 0.25489833408167 0.83257071257727 0.00613779363463 22.990 > 20 21 Na 0.48408064246496 0.74787662772514 0.50407570936566 22.990 > 21 22 Na 0.30532352973013 0.48541841405590 0.91749776572813 22.990 > 22 23 Na 0.74510166591833 0.16742928742273 0.99386220636537 22.990 > 23 24 Na 0.97569490387605 0.76960757361834 0.92070495754665 22.990 > 24 *25 Ga 0.42601389805669 0.49406787107946 0.31919728386755 69.723 > 25 *26 Ga 0.93500476275409 0.02252811848119 0.81366761981975 69.723 > 26 27 Ga 0.57398610194331 0.50593212892054 0.68080271613245 69.723 > 27 28 Ga 0.42601389805669 0.00593212892054 0.81919728386755 69.723 > 28 29 Ga 0.06499523724591 0.52252811848119 0.68633238018025 69.723 > 29 30 Ga 0.93500476275409 0.47747188151881 0.31366761981975 69.723 > 30 31 Ga 0.06499523724591 0.97747188151881 0.18633238018025 69.723 > 31 32 Ga 0.57398610194331 0.99406787107946 0.18080271613245 69.723 > 32 *33 S 0.13057295334031 0.81247671321603 0.26551794887110 32.065 > 33 *34 S 0.65185745201194 0.35616344456940 0.80831789802555 32.065 > 34 *35 S 0.59920196470019 0.50820770034436 0.38299789628728 32.065 > 35 36 S 0.86942704665969 0.31247671321603 0.23448205112890 32.065 > 36 37 S 0.40079803529981 0.49179229965564 0.61700210371272 32.065 > 37 *38 S 0.89287740028239 0.53263297894136 0.58589657020675 32.065 > 38 39 S 0.10712259971761 0.46736702105864 0.41410342979325 32.065 > 39 40 S 0.40079803529981 0.00820770034436 0.11700210371272 32.065 > 40 41 S 0.89287740028239 0.96736702105864 0.08589657020675 32.065 > 41 42 S 0.13057295334031 0.68752328678397 0.76551794887110 32.065 > 42 *43 S 0.62014650160638 0.83088503064450 0.30730506304815 32.065 > 43 44 S 0.37985349839362 0.16911496935550 0.69269493695185 32.065 > 44 45 S 0.86942704665969 0.18752328678397 0.73448205112890 32.065 > 45 *46 S 0.88856255521641 0.60998096182724 0.11118078279592 32.065 > 46 47 S 0.65185745201194 0.14383655543060 0.30831789802555 32.065 > 47 48 S 0.59920196470019 0.99179229965564 0.88299789628728 32.065 > 48 49 S 0.88856255521641 0.89001903817276 0.61118078279592 32.065 > 49 50 S 0.11143744478359 0.39001903817276 0.88881921720408 32.065 > 50 51 S 0.10712259971761 0.03263297894136 0.91410342979325 32.065 > 51 52 S 0.34814254798806 0.64383655543060 0.19168210197445 32.065 > 52 53 S 0.62014650160638 0.66911496935550 0.80730506304815 32.065 > 53 54 S 0.11143744478359 0.10998096182724 0.38881921720408 32.065 > 54 55 S 0.34814254798806 0.85616344456940 0.69168210197445 32.065 > 55 56 S 0.37985349839362 0.33088503064449 0.19269493695185 32.065 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.543315785620212 0.000000000000000 0.000000000000000 b 0.000000000000000 12.027746380000004 0.000000000000000 c -2.359092326386720 0.000000000000000 15.070079049451843 Atomic positions (fractional): *1 Na 0.51591935753504 0.24787662772514 0.49796214531717 22.990 > 1 2 Na 0.51591935753504 0.24787662772514 0.99796214531717 22.990 > 1 *3 Na 0.73997978191763 0.69586864891753 0.27477659303624 22.990 > 2 4 Na 0.73997978191763 0.69586864891753 0.77477659303624 22.990 > 2 5 Na 0.51591935753504 0.25212337227486 0.24796214531717 22.990 > 3 6 Na 0.51591935753504 0.25212337227486 0.74796214531717 22.990 > 3 *7 Na 0.97569490387605 0.73039242638166 0.21035247877333 22.990 > 4 8 Na 0.97569490387605 0.73039242638166 0.71035247877333 22.990 > 4 *9 Na 0.86957407904313 0.08837632278182 0.19503956019360 22.990 > 5 10 Na 0.86957407904313 0.08837632278182 0.69503956019360 22.990 > 5 11 Na 0.13042592095687 0.58837632278182 0.05496043980640 22.990 > 6 12 Na 0.13042592095687 0.58837632278182 0.55496043980640 22.990 > 6 *13 Na 0.25489833408167 0.66742928742273 0.25306889681732 22.990 > 7 14 Na 0.25489833408167 0.66742928742273 0.75306889681732 22.990 > 7 15 Na 0.48408064246496 0.75212337227486 0.00203785468283 22.990 > 8 16 Na 0.48408064246496 0.75212337227486 0.50203785468283 22.990 > 8 17 Na 0.26002021808237 0.30413135108246 0.22522340696376 22.990 > 9 18 Na 0.26002021808237 0.30413135108246 0.72522340696376 22.990 > 9 19 Na 0.13042592095687 0.91162367721818 0.30496043980640 22.990 > 10 20 Na 0.13042592095687 0.91162367721818 0.80496043980640 22.990 > 10 21 Na 0.02430509612395 0.26960757361834 0.28964752122667 22.990 > 11 22 Na 0.02430509612395 0.26960757361834 0.78964752122667 22.990 > 11 23 Na 0.74510166591833 0.33257071257727 0.24693110318268 22.990 > 12 24 Na 0.74510166591833 0.33257071257727 0.74693110318268 22.990 > 12 25 Na 0.73997978191763 0.80413135108247 0.02477659303624 22.990 > 13 26 Na 0.73997978191763 0.80413135108247 0.52477659303624 22.990 > 13 27 Na 0.26002021808237 0.19586864891753 0.47522340696376 22.990 > 14 28 Na 0.26002021808237 0.19586864891753 0.97522340696376 22.990 > 14 *29 Na 0.69467647026987 0.51458158594410 0.04125111713594 22.990 > 15 30 Na 0.69467647026987 0.51458158594410 0.54125111713594 22.990 > 15 31 Na 0.86957407904313 0.41162367721818 0.44503956019360 22.990 > 16 32 Na 0.86957407904313 0.41162367721818 0.94503956019360 22.990 > 16 33 Na 0.30532352973013 0.01458158594410 0.20874888286406 22.990 > 17 34 Na 0.30532352973013 0.01458158594410 0.70874888286406 22.990 > 17 35 Na 0.69467647026987 0.98541841405590 0.29125111713594 22.990 > 18 36 Na 0.69467647026987 0.98541841405590 0.79125111713594 22.990 > 18 37 Na 0.02430509612395 0.23039242638165 0.03964752122667 22.990 > 19 38 Na 0.02430509612395 0.23039242638165 0.53964752122667 22.990 > 19 39 Na 0.25489833408167 0.83257071257727 0.00306889681732 22.990 > 20 40 Na 0.25489833408167 0.83257071257727 0.50306889681732 22.990 > 20 41 Na 0.48408064246496 0.74787662772514 0.25203785468283 22.990 > 21 42 Na 0.48408064246496 0.74787662772514 0.75203785468283 22.990 > 21 43 Na 0.30532352973013 0.48541841405590 0.45874888286406 22.990 > 22 44 Na 0.30532352973013 0.48541841405590 0.95874888286406 22.990 > 22 45 Na 0.74510166591833 0.16742928742273 0.49693110318268 22.990 > 23 46 Na 0.74510166591833 0.16742928742273 0.99693110318268 22.990 > 23 47 Na 0.97569490387605 0.76960757361834 0.46035247877333 22.990 > 24 48 Na 0.97569490387605 0.76960757361834 0.96035247877333 22.990 > 24 *49 Ga 0.42601389805669 0.49406787107946 0.15959864193377 69.723 > 25 50 Ga 0.42601389805669 0.49406787107946 0.65959864193377 69.723 > 25 *51 Ga 0.93500476275409 0.02252811848119 0.40683380990988 69.723 > 26 52 Ga 0.93500476275409 0.02252811848119 0.90683380990988 69.723 > 26 53 Ga 0.57398610194331 0.50593212892054 0.34040135806623 69.723 > 27 54 Ga 0.57398610194331 0.50593212892054 0.84040135806623 69.723 > 27 55 Ga 0.42601389805669 0.00593212892054 0.40959864193377 69.723 > 28 56 Ga 0.42601389805669 0.00593212892054 0.90959864193377 69.723 > 28 57 Ga 0.06499523724591 0.52252811848119 0.34316619009012 69.723 > 29 58 Ga 0.06499523724591 0.52252811848119 0.84316619009012 69.723 > 29 59 Ga 0.93500476275409 0.47747188151881 0.15683380990988 69.723 > 30 60 Ga 0.93500476275409 0.47747188151881 0.65683380990988 69.723 > 30 61 Ga 0.06499523724591 0.97747188151881 0.09316619009012 69.723 > 31 62 Ga 0.06499523724591 0.97747188151881 0.59316619009012 69.723 > 31 63 Ga 0.57398610194331 0.99406787107946 0.09040135806622 69.723 > 32 64 Ga 0.57398610194331 0.99406787107946 0.59040135806622 69.723 > 32 *65 S 0.13057295334031 0.81247671321603 0.13275897443555 32.065 > 33 66 S 0.13057295334031 0.81247671321603 0.63275897443555 32.065 > 33 *67 S 0.65185745201194 0.35616344456940 0.40415894901278 32.065 > 34 68 S 0.65185745201194 0.35616344456940 0.90415894901278 32.065 > 34 *69 S 0.59920196470019 0.50820770034436 0.19149894814364 32.065 > 35 70 S 0.59920196470019 0.50820770034436 0.69149894814364 32.065 > 35 71 S 0.86942704665969 0.31247671321603 0.11724102556445 32.065 > 36 72 S 0.86942704665969 0.31247671321603 0.61724102556445 32.065 > 36 73 S 0.40079803529981 0.49179229965564 0.30850105185636 32.065 > 37 74 S 0.40079803529981 0.49179229965564 0.80850105185636 32.065 > 37 *75 S 0.89287740028239 0.53263297894136 0.29294828510338 32.065 > 38 76 S 0.89287740028239 0.53263297894136 0.79294828510338 32.065 > 38 77 S 0.10712259971761 0.46736702105864 0.20705171489662 32.065 > 39 78 S 0.10712259971761 0.46736702105864 0.70705171489662 32.065 > 39 79 S 0.40079803529981 0.00820770034436 0.05850105185636 32.065 > 40 80 S 0.40079803529981 0.00820770034436 0.55850105185636 32.065 > 40 81 S 0.89287740028239 0.96736702105864 0.04294828510338 32.065 > 41 82 S 0.89287740028239 0.96736702105864 0.54294828510338 32.065 > 41 83 S 0.13057295334031 0.68752328678397 0.38275897443555 32.065 > 42 84 S 0.13057295334031 0.68752328678397 0.88275897443555 32.065 > 42 *85 S 0.62014650160638 0.83088503064450 0.15365253152407 32.065 > 43 86 S 0.62014650160638 0.83088503064450 0.65365253152407 32.065 > 43 87 S 0.37985349839362 0.16911496935550 0.34634746847593 32.065 > 44 88 S 0.37985349839362 0.16911496935550 0.84634746847593 32.065 > 44 89 S 0.86942704665969 0.18752328678397 0.36724102556445 32.065 > 45 90 S 0.86942704665969 0.18752328678397 0.86724102556445 32.065 > 45 *91 S 0.88856255521641 0.60998096182724 0.05559039139796 32.065 > 46 92 S 0.88856255521641 0.60998096182724 0.55559039139796 32.065 > 46 93 S 0.65185745201194 0.14383655543060 0.15415894901278 32.065 > 47 94 S 0.65185745201194 0.14383655543060 0.65415894901278 32.065 > 47 95 S 0.59920196470019 0.99179229965564 0.44149894814364 32.065 > 48 96 S 0.59920196470019 0.99179229965564 0.94149894814364 32.065 > 48 97 S 0.88856255521641 0.89001903817276 0.30559039139796 32.065 > 49 98 S 0.88856255521641 0.89001903817276 0.80559039139796 32.065 > 49 99 S 0.11143744478359 0.39001903817276 0.44440960860204 32.065 > 50 100 S 0.11143744478359 0.39001903817276 0.94440960860204 32.065 > 50 101 S 0.10712259971761 0.03263297894136 0.45705171489662 32.065 > 51 102 S 0.10712259971761 0.03263297894136 0.95705171489662 32.065 > 51 103 S 0.34814254798806 0.64383655543060 0.09584105098722 32.065 > 52 104 S 0.34814254798806 0.64383655543060 0.59584105098722 32.065 > 52 105 S 0.62014650160638 0.66911496935550 0.40365253152407 32.065 > 53 106 S 0.62014650160638 0.66911496935550 0.90365253152407 32.065 > 53 107 S 0.11143744478359 0.10998096182724 0.19440960860204 32.065 > 54 108 S 0.11143744478359 0.10998096182724 0.69440960860204 32.065 > 54 109 S 0.34814254798806 0.85616344456940 0.34584105098722 32.065 > 55 110 S 0.34814254798806 0.85616344456940 0.84584105098722 32.065 > 55 111 S 0.37985349839362 0.33088503064449 0.09634746847593 32.065 > 56 112 S 0.37985349839362 0.33088503064449 0.59634746847593 32.065 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0903901 0.0000000 0.2455939 0.0000000 4.2423167 0.0000000 0.2455973 0.0000000 4.1937742 -------------------------- Born effective charges -------------------------- 1 Na 0.9291481 0.0251620 -0.0166868 0.0122997 1.2188000 0.0239603 -0.1215571 -0.0289997 1.1179020 2 Na 1.3749752 0.0451560 0.0935185 0.0584826 1.3140700 -0.1708161 0.1382103 -0.0302687 0.9596166 3 Na 0.9291481 -0.0251620 -0.0166868 -0.0122997 1.2188000 -0.0239603 -0.1215571 0.0289997 1.1179020 4 Na 0.8115246 0.0203654 -0.0164295 0.0185813 1.3076216 -0.0224055 -0.0958162 0.0125195 1.1143474 5 Na 1.1347771 -0.0808809 -0.0972475 -0.0214305 1.0522342 -0.1282170 -0.0480748 -0.0212770 1.2008476 6 Na 1.1347771 0.0808809 -0.0972475 0.0214305 1.0522342 0.1282170 -0.0480748 0.0212770 1.2008476 7 Na 1.3295747 -0.0275574 0.0274046 -0.0510838 1.2270504 -0.0038124 0.0170501 0.0809096 1.0460504 8 Na 0.9291481 0.0251620 -0.0166868 0.0122997 1.2188000 0.0239603 -0.1215571 -0.0289997 1.1179020 9 Na 1.3749752 0.0451560 0.0935185 0.0584826 1.3140700 -0.1708161 0.1382103 -0.0302687 0.9596166 10 Na 1.1347771 -0.0808809 -0.0972475 -0.0214305 1.0522342 -0.1282170 -0.0480748 -0.0212770 1.2008476 11 Na 0.8115246 0.0203654 -0.0164295 0.0185813 1.3076216 -0.0224055 -0.0958162 0.0125195 1.1143474 12 Na 1.3295747 -0.0275574 0.0274046 -0.0510838 1.2270504 -0.0038124 0.0170501 0.0809096 1.0460504 13 Na 1.3749752 -0.0451560 0.0935185 -0.0584826 1.3140700 0.1708161 0.1382103 0.0302687 0.9596166 14 Na 1.3749752 -0.0451560 0.0935185 -0.0584826 1.3140700 0.1708161 0.1382103 0.0302687 0.9596166 15 Na 1.1935381 -0.0301967 -0.0137116 -0.0647431 0.8867642 -0.0068429 0.0601009 -0.0292579 1.2855219 16 Na 1.1347771 0.0808809 -0.0972475 0.0214305 1.0522342 0.1282170 -0.0480748 0.0212770 1.2008476 17 Na 1.1935381 0.0301967 -0.0137116 0.0647431 0.8867642 0.0068429 0.0601009 0.0292579 1.2855219 18 Na 1.1935381 0.0301967 -0.0137116 0.0647431 0.8867642 0.0068429 0.0601009 0.0292579 1.2855219 19 Na 0.8115246 -0.0203654 -0.0164295 -0.0185813 1.3076216 0.0224055 -0.0958162 -0.0125195 1.1143474 20 Na 1.3295747 0.0275574 0.0274046 0.0510838 1.2270504 0.0038124 0.0170501 -0.0809096 1.0460504 21 Na 0.9291481 -0.0251620 -0.0166868 -0.0122997 1.2188000 -0.0239603 -0.1215571 0.0289997 1.1179020 22 Na 1.1935381 -0.0301967 -0.0137116 -0.0647431 0.8867642 -0.0068429 0.0601009 -0.0292579 1.2855219 23 Na 1.3295747 0.0275574 0.0274046 0.0510838 1.2270504 0.0038124 0.0170501 -0.0809096 1.0460504 24 Na 0.8115246 -0.0203654 -0.0164295 -0.0185813 1.3076216 0.0224055 -0.0958162 -0.0125195 1.1143474 25 Ga 1.9351536 -0.1234660 0.6776803 -0.0681365 2.3714184 -0.0047992 0.6259017 0.0631409 2.3507330 26 Ga 1.6574568 -0.2159744 0.5228274 -0.2672830 2.3182505 0.0061451 0.4592218 -0.0239534 2.6223435 27 Ga 1.9351536 -0.1234660 0.6776803 -0.0681365 2.3714184 -0.0047992 0.6259017 0.0631409 2.3507330 28 Ga 1.9351536 0.1234660 0.6776803 0.0681365 2.3714184 0.0047992 0.6259017 -0.0631409 2.3507330 29 Ga 1.6574568 0.2159744 0.5228274 0.2672830 2.3182505 -0.0061451 0.4592218 0.0239534 2.6223435 30 Ga 1.6574568 0.2159744 0.5228274 0.2672830 2.3182505 -0.0061451 0.4592218 0.0239534 2.6223435 31 Ga 1.6574568 -0.2159744 0.5228274 -0.2672830 2.3182505 0.0061451 0.4592218 -0.0239534 2.6223435 32 Ga 1.9351536 0.1234660 0.6776803 0.0681365 2.3714184 0.0047992 0.6259017 -0.0631409 2.3507330 33 S -1.4396308 0.3649868 -0.2071873 0.3105024 -2.4347843 0.1831849 -0.1737099 0.3821174 -1.7527625 34 S -1.6674086 0.3429142 -0.3261559 0.3511285 -2.1845139 0.3890668 -0.3332994 0.4612067 -1.7890071 35 S -2.2703052 -0.0316691 -0.1073728 -0.0561268 -1.3347129 0.0052010 -0.0330531 -0.0054348 -2.1648481 36 S -1.4396308 -0.3649868 -0.2071873 -0.3105024 -2.4347843 -0.1831849 -0.1737099 -0.3821174 -1.7527625 37 S -2.2703052 -0.0316691 -0.1073728 -0.0561268 -1.3347129 0.0052010 -0.0330531 -0.0054348 -2.1648481 38 S -2.0953521 0.0665662 -0.1883665 -0.0345519 -1.4351281 -0.1602366 -0.1045924 -0.1625754 -2.1080348 39 S -2.0953521 0.0665662 -0.1883665 -0.0345519 -1.4351281 -0.1602366 -0.1045924 -0.1625754 -2.1080348 40 S -2.2703052 0.0316691 -0.1073728 0.0561268 -1.3347129 -0.0052010 -0.0330531 0.0054348 -2.1648481 41 S -2.0953521 -0.0665662 -0.1883665 0.0345519 -1.4351281 0.1602366 -0.1045924 0.1625754 -2.1080348 42 S -1.4396308 -0.3649868 -0.2071873 -0.3105024 -2.4347843 -0.1831849 -0.1737099 -0.3821174 -1.7527625 43 S -1.4310376 0.1972213 -0.2471635 0.1817708 -2.2065363 0.4119545 -0.2423805 0.4781259 -1.8483418 44 S -1.4310376 0.1972213 -0.2471635 0.1817708 -2.2065363 0.4119545 -0.2423805 0.4781259 -1.8483418 45 S -1.4396308 0.3649868 -0.2071873 0.3105024 -2.4347843 0.1831849 -0.1737099 0.3821174 -1.7527625 46 S -1.4624137 0.0574887 -0.1011094 0.0128199 -2.1005336 0.4259370 -0.1480014 0.5867080 -2.0343681 47 S -1.6674086 -0.3429142 -0.3261559 -0.3511285 -2.1845139 -0.3890668 -0.3332994 -0.4612067 -1.7890071 48 S -2.2703052 0.0316691 -0.1073728 0.0561268 -1.3347129 -0.0052010 -0.0330531 0.0054348 -2.1648481 49 S -1.4624137 -0.0574887 -0.1011094 -0.0128199 -2.1005336 -0.4259370 -0.1480014 -0.5867080 -2.0343681 50 S -1.4624137 0.0574887 -0.1011094 0.0128199 -2.1005336 0.4259370 -0.1480014 0.5867080 -2.0343681 51 S -2.0953521 -0.0665662 -0.1883665 0.0345519 -1.4351281 0.1602366 -0.1045924 0.1625754 -2.1080348 52 S -1.6674086 0.3429142 -0.3261559 0.3511285 -2.1845139 0.3890668 -0.3332994 0.4612067 -1.7890071 53 S -1.4310376 -0.1972213 -0.2471635 -0.1817708 -2.2065363 -0.4119545 -0.2423805 -0.4781259 -1.8483418 54 S -1.4624137 -0.0574887 -0.1011094 -0.0128199 -2.1005336 -0.4259370 -0.1480014 -0.5867080 -2.0343681 55 S -1.6674086 -0.3429142 -0.3261559 -0.3511285 -2.1845139 -0.3890668 -0.3332994 -0.4612067 -1.7890071 56 S -1.4310376 -0.1972213 -0.2471635 -0.1817708 -2.2065363 -0.4119545 -0.2423805 -0.4781259 -1.8483418 ---------------------------------------------------------------------------- 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: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 231 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 231 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 544), data: False |-- (568, 27), data: (568, 51) @ (51, 27) |-- (68, 60), data: True |-- (250, 231), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 18), data: (500, 46) @ (46, 18) |-- (250, 222), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 544), data: False |-- (568, 27), data: (568, 51) @ (51, 27) |-- (68, 60), data: True |-- (250, 231), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 18), data: (500, 46) @ (46, 18) |-- (250, 222), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1680 - Time: 2.850 Solver_block: 200 / 1680 - Time: 2.727 Solver_block: 300 / 1680 - Time: 2.661 Solver_block: 400 / 1680 - Time: 2.756 Solver_block: 500 / 1680 - Time: 2.756 Solver_block: 600 / 1680 - Time: 2.741 Solver_block: 700 / 1680 - Time: 2.737 Solver_block: 800 / 1680 - Time: 2.718 Solver_block: 900 / 1680 - Time: 2.723 Solver_block: 1000 / 1680 - Time: 2.712 Solver_block: 1100 / 1680 - Time: 2.735 Solver_block: 1200 / 1680 - Time: 2.772 Solver_block: 1300 / 1680 - Time: 2.878 Solver_block: 1400 / 1680 - Time: 2.841 Solver_block: 1500 / 1680 - Time: 2.858 Solver_block: 1600 / 1680 - Time: 2.890 Solver_block: 1680 / 1680 - Time: 2.426 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 47.872 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7182 Number of blocks in projector: 7182 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 231 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 226 eigenvectors found. (2) Block: 500 / 568 (2) 231 eigenvectors found. (2) Block: 568 / 568 (2) 60 eigenvectors found. (2) Complementary block size: 51 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 544 eigenvectors found. (1) Complementary block size: 80 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 826 Use submatrix version of eigh solver. (1) Block: 500 / 826 (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: 826 / 826 (1) 312 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7182, 7057), data: False |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (826, 812), data: False |-- (826, 14), data: (826, 28) @ (28, 14) |-- (326, 312), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 544), data: False |-- (568, 27), data: (568, 51) @ (51, 27) |-- (68, 60), data: True |-- (250, 231), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 18), data: (500, 46) @ (46, 18) |-- (250, 222), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 52), data: (1568, 80) @ (80, 52) |-- (568, 544), data: False |-- (568, 27), data: (568, 51) @ (51, 27) |-- (68, 60), data: True |-- (250, 231), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 18), data: (500, 46) @ (46, 18) |-- (250, 222), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) 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 16:56:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:56:15]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.543315785620212 0.000000000000000 0.000000000000000 b 0.000000000000000 12.027746380000004 0.000000000000000 c -1.179546163193360 0.000000000000000 7.535039524725922 Atomic positions (fractional): 1 Na 0.51591935753504 0.24787662772514 0.99592429063434 22.990 2 Na 0.73997978191763 0.69586864891753 0.54955318607249 22.990 3 Na 0.51591935753504 0.25212337227486 0.49592429063434 22.990 4 Na 0.97569490387605 0.73039242638166 0.42070495754665 22.990 5 Na 0.86957407904313 0.08837632278182 0.39007912038719 22.990 6 Na 0.13042592095687 0.58837632278182 0.10992087961281 22.990 7 Na 0.25489833408167 0.66742928742273 0.50613779363463 22.990 8 Na 0.48408064246496 0.75212337227486 0.00407570936566 22.990 9 Na 0.26002021808237 0.30413135108246 0.45044681392752 22.990 10 Na 0.13042592095687 0.91162367721818 0.60992087961281 22.990 11 Na 0.02430509612395 0.26960757361834 0.57929504245335 22.990 12 Na 0.74510166591833 0.33257071257727 0.49386220636537 22.990 13 Na 0.73997978191763 0.80413135108247 0.04955318607249 22.990 14 Na 0.26002021808237 0.19586864891753 0.95044681392751 22.990 15 Na 0.69467647026987 0.51458158594410 0.08250223427188 22.990 16 Na 0.86957407904313 0.41162367721818 0.89007912038719 22.990 17 Na 0.30532352973013 0.01458158594410 0.41749776572813 22.990 18 Na 0.69467647026987 0.98541841405590 0.58250223427187 22.990 19 Na 0.02430509612395 0.23039242638165 0.07929504245335 22.990 20 Na 0.25489833408167 0.83257071257727 0.00613779363463 22.990 21 Na 0.48408064246496 0.74787662772514 0.50407570936566 22.990 22 Na 0.30532352973013 0.48541841405590 0.91749776572813 22.990 23 Na 0.74510166591833 0.16742928742273 0.99386220636537 22.990 24 Na 0.97569490387605 0.76960757361834 0.92070495754665 22.990 25 Ga 0.42601389805669 0.49406787107946 0.31919728386755 69.723 26 Ga 0.93500476275409 0.02252811848119 0.81366761981975 69.723 27 Ga 0.57398610194331 0.50593212892054 0.68080271613245 69.723 28 Ga 0.42601389805669 0.00593212892054 0.81919728386755 69.723 29 Ga 0.06499523724591 0.52252811848119 0.68633238018025 69.723 30 Ga 0.93500476275409 0.47747188151881 0.31366761981975 69.723 31 Ga 0.06499523724591 0.97747188151881 0.18633238018025 69.723 32 Ga 0.57398610194331 0.99406787107946 0.18080271613245 69.723 33 S 0.13057295334031 0.81247671321603 0.26551794887110 32.065 34 S 0.65185745201194 0.35616344456940 0.80831789802555 32.065 35 S 0.59920196470019 0.50820770034436 0.38299789628728 32.065 36 S 0.86942704665969 0.31247671321603 0.23448205112890 32.065 37 S 0.40079803529981 0.49179229965564 0.61700210371272 32.065 38 S 0.89287740028239 0.53263297894136 0.58589657020675 32.065 39 S 0.10712259971761 0.46736702105864 0.41410342979325 32.065 40 S 0.40079803529981 0.00820770034436 0.11700210371272 32.065 41 S 0.89287740028239 0.96736702105864 0.08589657020675 32.065 42 S 0.13057295334031 0.68752328678397 0.76551794887110 32.065 43 S 0.62014650160638 0.83088503064450 0.30730506304815 32.065 44 S 0.37985349839362 0.16911496935550 0.69269493695185 32.065 45 S 0.86942704665969 0.18752328678397 0.73448205112890 32.065 46 S 0.88856255521641 0.60998096182724 0.11118078279592 32.065 47 S 0.65185745201194 0.14383655543060 0.30831789802555 32.065 48 S 0.59920196470019 0.99179229965564 0.88299789628728 32.065 49 S 0.88856255521641 0.89001903817276 0.61118078279592 32.065 50 S 0.11143744478359 0.39001903817276 0.88881921720408 32.065 51 S 0.10712259971761 0.03263297894136 0.91410342979325 32.065 52 S 0.34814254798806 0.64383655543060 0.19168210197445 32.065 53 S 0.62014650160638 0.66911496935550 0.80730506304815 32.065 54 S 0.11143744478359 0.10998096182724 0.38881921720408 32.065 55 S 0.34814254798806 0.85616344456940 0.69168210197445 32.065 56 S 0.37985349839362 0.33088503064449 0.19269493695185 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.543315785620212 0.000000000000000 0.000000000000000 b 0.000000000000000 12.027746380000004 0.000000000000000 c -2.359092326386720 0.000000000000000 15.070079049451843 Atomic positions (fractional): 1 Na 0.51591935753504 0.24787662772514 0.49796214531717 22.990 > 1 2 Na 0.51591935753504 0.24787662772514 0.99796214531717 22.990 > 1 3 Na 0.73997978191763 0.69586864891753 0.27477659303624 22.990 > 3 4 Na 0.73997978191763 0.69586864891753 0.77477659303624 22.990 > 3 5 Na 0.51591935753504 0.25212337227486 0.24796214531717 22.990 > 5 6 Na 0.51591935753504 0.25212337227486 0.74796214531717 22.990 > 5 7 Na 0.97569490387605 0.73039242638166 0.21035247877333 22.990 > 7 8 Na 0.97569490387605 0.73039242638166 0.71035247877333 22.990 > 7 9 Na 0.86957407904313 0.08837632278182 0.19503956019360 22.990 > 9 10 Na 0.86957407904313 0.08837632278182 0.69503956019360 22.990 > 9 11 Na 0.13042592095687 0.58837632278182 0.05496043980640 22.990 > 11 12 Na 0.13042592095687 0.58837632278182 0.55496043980640 22.990 > 11 13 Na 0.25489833408167 0.66742928742273 0.25306889681732 22.990 > 13 14 Na 0.25489833408167 0.66742928742273 0.75306889681732 22.990 > 13 15 Na 0.48408064246496 0.75212337227486 0.00203785468283 22.990 > 15 16 Na 0.48408064246496 0.75212337227486 0.50203785468283 22.990 > 15 17 Na 0.26002021808237 0.30413135108246 0.22522340696376 22.990 > 17 18 Na 0.26002021808237 0.30413135108246 0.72522340696376 22.990 > 17 19 Na 0.13042592095687 0.91162367721818 0.30496043980640 22.990 > 19 20 Na 0.13042592095687 0.91162367721818 0.80496043980640 22.990 > 19 21 Na 0.02430509612395 0.26960757361834 0.28964752122667 22.990 > 21 22 Na 0.02430509612395 0.26960757361834 0.78964752122667 22.990 > 21 23 Na 0.74510166591833 0.33257071257727 0.24693110318268 22.990 > 23 24 Na 0.74510166591833 0.33257071257727 0.74693110318268 22.990 > 23 25 Na 0.73997978191763 0.80413135108247 0.02477659303624 22.990 > 25 26 Na 0.73997978191763 0.80413135108247 0.52477659303624 22.990 > 25 27 Na 0.26002021808237 0.19586864891753 0.47522340696376 22.990 > 27 28 Na 0.26002021808237 0.19586864891753 0.97522340696376 22.990 > 27 29 Na 0.69467647026987 0.51458158594410 0.04125111713594 22.990 > 29 30 Na 0.69467647026987 0.51458158594410 0.54125111713594 22.990 > 29 31 Na 0.86957407904313 0.41162367721818 0.44503956019360 22.990 > 31 32 Na 0.86957407904313 0.41162367721818 0.94503956019360 22.990 > 31 33 Na 0.30532352973013 0.01458158594410 0.20874888286406 22.990 > 33 34 Na 0.30532352973013 0.01458158594410 0.70874888286406 22.990 > 33 35 Na 0.69467647026987 0.98541841405590 0.29125111713594 22.990 > 35 36 Na 0.69467647026987 0.98541841405590 0.79125111713594 22.990 > 35 37 Na 0.02430509612395 0.23039242638165 0.03964752122667 22.990 > 37 38 Na 0.02430509612395 0.23039242638165 0.53964752122667 22.990 > 37 39 Na 0.25489833408167 0.83257071257727 0.00306889681732 22.990 > 39 40 Na 0.25489833408167 0.83257071257727 0.50306889681732 22.990 > 39 41 Na 0.48408064246496 0.74787662772514 0.25203785468283 22.990 > 41 42 Na 0.48408064246496 0.74787662772514 0.75203785468283 22.990 > 41 43 Na 0.30532352973013 0.48541841405590 0.45874888286406 22.990 > 43 44 Na 0.30532352973013 0.48541841405590 0.95874888286406 22.990 > 43 45 Na 0.74510166591833 0.16742928742273 0.49693110318268 22.990 > 45 46 Na 0.74510166591833 0.16742928742273 0.99693110318268 22.990 > 45 47 Na 0.97569490387605 0.76960757361834 0.46035247877333 22.990 > 47 48 Na 0.97569490387605 0.76960757361834 0.96035247877333 22.990 > 47 49 Ga 0.42601389805669 0.49406787107946 0.15959864193377 69.723 > 49 50 Ga 0.42601389805669 0.49406787107946 0.65959864193377 69.723 > 49 51 Ga 0.93500476275409 0.02252811848119 0.40683380990988 69.723 > 51 52 Ga 0.93500476275409 0.02252811848119 0.90683380990988 69.723 > 51 53 Ga 0.57398610194331 0.50593212892054 0.34040135806623 69.723 > 53 54 Ga 0.57398610194331 0.50593212892054 0.84040135806623 69.723 > 53 55 Ga 0.42601389805669 0.00593212892054 0.40959864193377 69.723 > 55 56 Ga 0.42601389805669 0.00593212892054 0.90959864193377 69.723 > 55 57 Ga 0.06499523724591 0.52252811848119 0.34316619009012 69.723 > 57 58 Ga 0.06499523724591 0.52252811848119 0.84316619009012 69.723 > 57 59 Ga 0.93500476275409 0.47747188151881 0.15683380990988 69.723 > 59 60 Ga 0.93500476275409 0.47747188151881 0.65683380990988 69.723 > 59 61 Ga 0.06499523724591 0.97747188151881 0.09316619009012 69.723 > 61 62 Ga 0.06499523724591 0.97747188151881 0.59316619009012 69.723 > 61 63 Ga 0.57398610194331 0.99406787107946 0.09040135806622 69.723 > 63 64 Ga 0.57398610194331 0.99406787107946 0.59040135806622 69.723 > 63 65 S 0.13057295334031 0.81247671321603 0.13275897443555 32.065 > 65 66 S 0.13057295334031 0.81247671321603 0.63275897443555 32.065 > 65 67 S 0.65185745201194 0.35616344456940 0.40415894901278 32.065 > 67 68 S 0.65185745201194 0.35616344456940 0.90415894901278 32.065 > 67 69 S 0.59920196470019 0.50820770034436 0.19149894814364 32.065 > 69 70 S 0.59920196470019 0.50820770034436 0.69149894814364 32.065 > 69 71 S 0.86942704665969 0.31247671321603 0.11724102556445 32.065 > 71 72 S 0.86942704665969 0.31247671321603 0.61724102556445 32.065 > 71 73 S 0.40079803529981 0.49179229965564 0.30850105185636 32.065 > 73 74 S 0.40079803529981 0.49179229965564 0.80850105185636 32.065 > 73 75 S 0.89287740028239 0.53263297894136 0.29294828510338 32.065 > 75 76 S 0.89287740028239 0.53263297894136 0.79294828510338 32.065 > 75 77 S 0.10712259971761 0.46736702105864 0.20705171489662 32.065 > 77 78 S 0.10712259971761 0.46736702105864 0.70705171489662 32.065 > 77 79 S 0.40079803529981 0.00820770034436 0.05850105185636 32.065 > 79 80 S 0.40079803529981 0.00820770034436 0.55850105185636 32.065 > 79 81 S 0.89287740028239 0.96736702105864 0.04294828510338 32.065 > 81 82 S 0.89287740028239 0.96736702105864 0.54294828510338 32.065 > 81 83 S 0.13057295334031 0.68752328678397 0.38275897443555 32.065 > 83 84 S 0.13057295334031 0.68752328678397 0.88275897443555 32.065 > 83 85 S 0.62014650160638 0.83088503064450 0.15365253152407 32.065 > 85 86 S 0.62014650160638 0.83088503064450 0.65365253152407 32.065 > 85 87 S 0.37985349839362 0.16911496935550 0.34634746847593 32.065 > 87 88 S 0.37985349839362 0.16911496935550 0.84634746847593 32.065 > 87 89 S 0.86942704665969 0.18752328678397 0.36724102556445 32.065 > 89 90 S 0.86942704665969 0.18752328678397 0.86724102556445 32.065 > 89 91 S 0.88856255521641 0.60998096182724 0.05559039139796 32.065 > 91 92 S 0.88856255521641 0.60998096182724 0.55559039139796 32.065 > 91 93 S 0.65185745201194 0.14383655543060 0.15415894901278 32.065 > 93 94 S 0.65185745201194 0.14383655543060 0.65415894901278 32.065 > 93 95 S 0.59920196470019 0.99179229965564 0.44149894814364 32.065 > 95 96 S 0.59920196470019 0.99179229965564 0.94149894814364 32.065 > 95 97 S 0.88856255521641 0.89001903817276 0.30559039139796 32.065 > 97 98 S 0.88856255521641 0.89001903817276 0.80559039139796 32.065 > 97 99 S 0.11143744478359 0.39001903817276 0.44440960860204 32.065 > 99 100 S 0.11143744478359 0.39001903817276 0.94440960860204 32.065 > 99 101 S 0.10712259971761 0.03263297894136 0.45705171489662 32.065 > 101 102 S 0.10712259971761 0.03263297894136 0.95705171489662 32.065 > 101 103 S 0.34814254798806 0.64383655543060 0.09584105098722 32.065 > 103 104 S 0.34814254798806 0.64383655543060 0.59584105098722 32.065 > 103 105 S 0.62014650160638 0.66911496935550 0.40365253152407 32.065 > 105 106 S 0.62014650160638 0.66911496935550 0.90365253152407 32.065 > 105 107 S 0.11143744478359 0.10998096182724 0.19440960860204 32.065 > 107 108 S 0.11143744478359 0.10998096182724 0.69440960860204 32.065 > 107 109 S 0.34814254798806 0.85616344456940 0.34584105098722 32.065 > 109 110 S 0.34814254798806 0.85616344456940 0.84584105098722 32.065 > 109 111 S 0.37985349839362 0.33088503064449 0.09634746847593 32.065 > 111 112 S 0.37985349839362 0.33088503064449 0.59634746847593 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0903901 0.0000000 0.2455939 0.0000000 4.2423167 0.0000000 0.2455973 0.0000000 4.1937742 -------------------------- Born effective charges -------------------------- 1 Na 0.9291481 0.0251620 -0.0166868 0.0122997 1.2188000 0.0239603 -0.1215571 -0.0289997 1.1179020 2 Na 1.3749752 0.0451560 0.0935185 0.0584826 1.3140700 -0.1708161 0.1382103 -0.0302687 0.9596166 3 Na 0.9291481 -0.0251620 -0.0166868 -0.0122997 1.2188000 -0.0239603 -0.1215571 0.0289997 1.1179020 4 Na 0.8115246 0.0203654 -0.0164295 0.0185813 1.3076216 -0.0224055 -0.0958162 0.0125195 1.1143474 5 Na 1.1347771 -0.0808809 -0.0972475 -0.0214305 1.0522342 -0.1282170 -0.0480748 -0.0212770 1.2008476 6 Na 1.1347771 0.0808809 -0.0972475 0.0214305 1.0522342 0.1282170 -0.0480748 0.0212770 1.2008476 7 Na 1.3295747 -0.0275574 0.0274046 -0.0510838 1.2270504 -0.0038124 0.0170501 0.0809096 1.0460504 8 Na 0.9291481 0.0251620 -0.0166868 0.0122997 1.2188000 0.0239603 -0.1215571 -0.0289997 1.1179020 9 Na 1.3749752 0.0451560 0.0935185 0.0584826 1.3140700 -0.1708161 0.1382103 -0.0302687 0.9596166 10 Na 1.1347771 -0.0808809 -0.0972475 -0.0214305 1.0522342 -0.1282170 -0.0480748 -0.0212770 1.2008476 11 Na 0.8115246 0.0203654 -0.0164295 0.0185813 1.3076216 -0.0224055 -0.0958162 0.0125195 1.1143474 12 Na 1.3295747 -0.0275574 0.0274046 -0.0510838 1.2270504 -0.0038124 0.0170501 0.0809096 1.0460504 13 Na 1.3749752 -0.0451560 0.0935185 -0.0584826 1.3140700 0.1708161 0.1382103 0.0302687 0.9596166 14 Na 1.3749752 -0.0451560 0.0935185 -0.0584826 1.3140700 0.1708161 0.1382103 0.0302687 0.9596166 15 Na 1.1935381 -0.0301967 -0.0137116 -0.0647431 0.8867642 -0.0068429 0.0601009 -0.0292579 1.2855219 16 Na 1.1347771 0.0808809 -0.0972475 0.0214305 1.0522342 0.1282170 -0.0480748 0.0212770 1.2008476 17 Na 1.1935381 0.0301967 -0.0137116 0.0647431 0.8867642 0.0068429 0.0601009 0.0292579 1.2855219 18 Na 1.1935381 0.0301967 -0.0137116 0.0647431 0.8867642 0.0068429 0.0601009 0.0292579 1.2855219 19 Na 0.8115246 -0.0203654 -0.0164295 -0.0185813 1.3076216 0.0224055 -0.0958162 -0.0125195 1.1143474 20 Na 1.3295747 0.0275574 0.0274046 0.0510838 1.2270504 0.0038124 0.0170501 -0.0809096 1.0460504 21 Na 0.9291481 -0.0251620 -0.0166868 -0.0122997 1.2188000 -0.0239603 -0.1215571 0.0289997 1.1179020 22 Na 1.1935381 -0.0301967 -0.0137116 -0.0647431 0.8867642 -0.0068429 0.0601009 -0.0292579 1.2855219 23 Na 1.3295747 0.0275574 0.0274046 0.0510838 1.2270504 0.0038124 0.0170501 -0.0809096 1.0460504 24 Na 0.8115246 -0.0203654 -0.0164295 -0.0185813 1.3076216 0.0224055 -0.0958162 -0.0125195 1.1143474 25 Ga 1.9351536 -0.1234660 0.6776803 -0.0681365 2.3714184 -0.0047992 0.6259017 0.0631409 2.3507330 26 Ga 1.6574568 -0.2159744 0.5228274 -0.2672830 2.3182505 0.0061451 0.4592218 -0.0239534 2.6223435 27 Ga 1.9351536 -0.1234660 0.6776803 -0.0681365 2.3714184 -0.0047992 0.6259017 0.0631409 2.3507330 28 Ga 1.9351536 0.1234660 0.6776803 0.0681365 2.3714184 0.0047992 0.6259017 -0.0631409 2.3507330 29 Ga 1.6574568 0.2159744 0.5228274 0.2672830 2.3182505 -0.0061451 0.4592218 0.0239534 2.6223435 30 Ga 1.6574568 0.2159744 0.5228274 0.2672830 2.3182505 -0.0061451 0.4592218 0.0239534 2.6223435 31 Ga 1.6574568 -0.2159744 0.5228274 -0.2672830 2.3182505 0.0061451 0.4592218 -0.0239534 2.6223435 32 Ga 1.9351536 0.1234660 0.6776803 0.0681365 2.3714184 0.0047992 0.6259017 -0.0631409 2.3507330 33 S -1.4396308 0.3649868 -0.2071873 0.3105024 -2.4347843 0.1831849 -0.1737099 0.3821174 -1.7527625 34 S -1.6674086 0.3429142 -0.3261559 0.3511285 -2.1845139 0.3890668 -0.3332994 0.4612067 -1.7890071 35 S -2.2703052 -0.0316691 -0.1073728 -0.0561268 -1.3347129 0.0052010 -0.0330531 -0.0054348 -2.1648481 36 S -1.4396308 -0.3649868 -0.2071873 -0.3105024 -2.4347843 -0.1831849 -0.1737099 -0.3821174 -1.7527625 37 S -2.2703052 -0.0316691 -0.1073728 -0.0561268 -1.3347129 0.0052010 -0.0330531 -0.0054348 -2.1648481 38 S -2.0953521 0.0665662 -0.1883665 -0.0345519 -1.4351281 -0.1602366 -0.1045924 -0.1625754 -2.1080348 39 S -2.0953521 0.0665662 -0.1883665 -0.0345519 -1.4351281 -0.1602366 -0.1045924 -0.1625754 -2.1080348 40 S -2.2703052 0.0316691 -0.1073728 0.0561268 -1.3347129 -0.0052010 -0.0330531 0.0054348 -2.1648481 41 S -2.0953521 -0.0665662 -0.1883665 0.0345519 -1.4351281 0.1602366 -0.1045924 0.1625754 -2.1080348 42 S -1.4396308 -0.3649868 -0.2071873 -0.3105024 -2.4347843 -0.1831849 -0.1737099 -0.3821174 -1.7527625 43 S -1.4310376 0.1972213 -0.2471635 0.1817708 -2.2065363 0.4119545 -0.2423805 0.4781259 -1.8483418 44 S -1.4310376 0.1972213 -0.2471635 0.1817708 -2.2065363 0.4119545 -0.2423805 0.4781259 -1.8483418 45 S -1.4396308 0.3649868 -0.2071873 0.3105024 -2.4347843 0.1831849 -0.1737099 0.3821174 -1.7527625 46 S -1.4624137 0.0574887 -0.1011094 0.0128199 -2.1005336 0.4259370 -0.1480014 0.5867080 -2.0343681 47 S -1.6674086 -0.3429142 -0.3261559 -0.3511285 -2.1845139 -0.3890668 -0.3332994 -0.4612067 -1.7890071 48 S -2.2703052 0.0316691 -0.1073728 0.0561268 -1.3347129 -0.0052010 -0.0330531 0.0054348 -2.1648481 49 S -1.4624137 -0.0574887 -0.1011094 -0.0128199 -2.1005336 -0.4259370 -0.1480014 -0.5867080 -2.0343681 50 S -1.4624137 0.0574887 -0.1011094 0.0128199 -2.1005336 0.4259370 -0.1480014 0.5867080 -2.0343681 51 S -2.0953521 -0.0665662 -0.1883665 0.0345519 -1.4351281 0.1602366 -0.1045924 0.1625754 -2.1080348 52 S -1.6674086 0.3429142 -0.3261559 0.3511285 -2.1845139 0.3890668 -0.3332994 0.4612067 -1.7890071 53 S -1.4310376 -0.1972213 -0.2471635 -0.1817708 -2.2065363 -0.4119545 -0.2423805 -0.4781259 -1.8483418 54 S -1.4624137 -0.0574887 -0.1011094 -0.0128199 -2.1005336 -0.4259370 -0.1480014 -0.5867080 -2.0343681 55 S -1.6674086 -0.3429142 -0.3261559 -0.3511285 -2.1845139 -0.3890668 -0.3332994 -0.4612067 -1.7890071 56 S -1.4310376 -0.1972213 -0.2471635 -0.1817708 -2.2065363 -0.4119545 -0.2423805 -0.4781259 -1.8483418 ---------------------------------------------------------------------------- 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 7, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 13, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 51, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 69, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 85, 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] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 91, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) 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 16:57:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:57:30]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.543315785620212 0.000000000000000 0.000000000000000 b 0.000000000000000 12.027746380000004 0.000000000000000 c -1.179546163193360 0.000000000000000 7.535039524725922 Atomic positions (fractional): 1 Na 0.51591935753504 0.24787662772514 0.99592429063434 22.990 2 Na 0.73997978191763 0.69586864891753 0.54955318607249 22.990 3 Na 0.51591935753504 0.25212337227486 0.49592429063434 22.990 4 Na 0.97569490387605 0.73039242638166 0.42070495754665 22.990 5 Na 0.86957407904313 0.08837632278182 0.39007912038719 22.990 6 Na 0.13042592095687 0.58837632278182 0.10992087961281 22.990 7 Na 0.25489833408167 0.66742928742273 0.50613779363463 22.990 8 Na 0.48408064246496 0.75212337227486 0.00407570936566 22.990 9 Na 0.26002021808237 0.30413135108246 0.45044681392752 22.990 10 Na 0.13042592095687 0.91162367721818 0.60992087961281 22.990 11 Na 0.02430509612395 0.26960757361834 0.57929504245335 22.990 12 Na 0.74510166591833 0.33257071257727 0.49386220636537 22.990 13 Na 0.73997978191763 0.80413135108247 0.04955318607249 22.990 14 Na 0.26002021808237 0.19586864891753 0.95044681392751 22.990 15 Na 0.69467647026987 0.51458158594410 0.08250223427188 22.990 16 Na 0.86957407904313 0.41162367721818 0.89007912038719 22.990 17 Na 0.30532352973013 0.01458158594410 0.41749776572813 22.990 18 Na 0.69467647026987 0.98541841405590 0.58250223427187 22.990 19 Na 0.02430509612395 0.23039242638165 0.07929504245335 22.990 20 Na 0.25489833408167 0.83257071257727 0.00613779363463 22.990 21 Na 0.48408064246496 0.74787662772514 0.50407570936566 22.990 22 Na 0.30532352973013 0.48541841405590 0.91749776572813 22.990 23 Na 0.74510166591833 0.16742928742273 0.99386220636537 22.990 24 Na 0.97569490387605 0.76960757361834 0.92070495754665 22.990 25 Ga 0.42601389805669 0.49406787107946 0.31919728386755 69.723 26 Ga 0.93500476275409 0.02252811848119 0.81366761981975 69.723 27 Ga 0.57398610194331 0.50593212892054 0.68080271613245 69.723 28 Ga 0.42601389805669 0.00593212892054 0.81919728386755 69.723 29 Ga 0.06499523724591 0.52252811848119 0.68633238018025 69.723 30 Ga 0.93500476275409 0.47747188151881 0.31366761981975 69.723 31 Ga 0.06499523724591 0.97747188151881 0.18633238018025 69.723 32 Ga 0.57398610194331 0.99406787107946 0.18080271613245 69.723 33 S 0.13057295334031 0.81247671321603 0.26551794887110 32.065 34 S 0.65185745201194 0.35616344456940 0.80831789802555 32.065 35 S 0.59920196470019 0.50820770034436 0.38299789628728 32.065 36 S 0.86942704665969 0.31247671321603 0.23448205112890 32.065 37 S 0.40079803529981 0.49179229965564 0.61700210371272 32.065 38 S 0.89287740028239 0.53263297894136 0.58589657020675 32.065 39 S 0.10712259971761 0.46736702105864 0.41410342979325 32.065 40 S 0.40079803529981 0.00820770034436 0.11700210371272 32.065 41 S 0.89287740028239 0.96736702105864 0.08589657020675 32.065 42 S 0.13057295334031 0.68752328678397 0.76551794887110 32.065 43 S 0.62014650160638 0.83088503064450 0.30730506304815 32.065 44 S 0.37985349839362 0.16911496935550 0.69269493695185 32.065 45 S 0.86942704665969 0.18752328678397 0.73448205112890 32.065 46 S 0.88856255521641 0.60998096182724 0.11118078279592 32.065 47 S 0.65185745201194 0.14383655543060 0.30831789802555 32.065 48 S 0.59920196470019 0.99179229965564 0.88299789628728 32.065 49 S 0.88856255521641 0.89001903817276 0.61118078279592 32.065 50 S 0.11143744478359 0.39001903817276 0.88881921720408 32.065 51 S 0.10712259971761 0.03263297894136 0.91410342979325 32.065 52 S 0.34814254798806 0.64383655543060 0.19168210197445 32.065 53 S 0.62014650160638 0.66911496935550 0.80730506304815 32.065 54 S 0.11143744478359 0.10998096182724 0.38881921720408 32.065 55 S 0.34814254798806 0.85616344456940 0.69168210197445 32.065 56 S 0.37985349839362 0.33088503064449 0.19269493695185 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.543315785620212 0.000000000000000 0.000000000000000 b 0.000000000000000 12.027746380000004 0.000000000000000 c -2.359092326386720 0.000000000000000 15.070079049451843 Atomic positions (fractional): 1 Na 0.51591935753504 0.24787662772514 0.49796214531717 22.990 > 1 2 Na 0.51591935753504 0.24787662772514 0.99796214531717 22.990 > 1 3 Na 0.73997978191763 0.69586864891753 0.27477659303624 22.990 > 3 4 Na 0.73997978191763 0.69586864891753 0.77477659303624 22.990 > 3 5 Na 0.51591935753504 0.25212337227486 0.24796214531717 22.990 > 5 6 Na 0.51591935753504 0.25212337227486 0.74796214531717 22.990 > 5 7 Na 0.97569490387605 0.73039242638166 0.21035247877333 22.990 > 7 8 Na 0.97569490387605 0.73039242638166 0.71035247877333 22.990 > 7 9 Na 0.86957407904313 0.08837632278182 0.19503956019360 22.990 > 9 10 Na 0.86957407904313 0.08837632278182 0.69503956019360 22.990 > 9 11 Na 0.13042592095687 0.58837632278182 0.05496043980640 22.990 > 11 12 Na 0.13042592095687 0.58837632278182 0.55496043980640 22.990 > 11 13 Na 0.25489833408167 0.66742928742273 0.25306889681732 22.990 > 13 14 Na 0.25489833408167 0.66742928742273 0.75306889681732 22.990 > 13 15 Na 0.48408064246496 0.75212337227486 0.00203785468283 22.990 > 15 16 Na 0.48408064246496 0.75212337227486 0.50203785468283 22.990 > 15 17 Na 0.26002021808237 0.30413135108246 0.22522340696376 22.990 > 17 18 Na 0.26002021808237 0.30413135108246 0.72522340696376 22.990 > 17 19 Na 0.13042592095687 0.91162367721818 0.30496043980640 22.990 > 19 20 Na 0.13042592095687 0.91162367721818 0.80496043980640 22.990 > 19 21 Na 0.02430509612395 0.26960757361834 0.28964752122667 22.990 > 21 22 Na 0.02430509612395 0.26960757361834 0.78964752122667 22.990 > 21 23 Na 0.74510166591833 0.33257071257727 0.24693110318268 22.990 > 23 24 Na 0.74510166591833 0.33257071257727 0.74693110318268 22.990 > 23 25 Na 0.73997978191763 0.80413135108247 0.02477659303624 22.990 > 25 26 Na 0.73997978191763 0.80413135108247 0.52477659303624 22.990 > 25 27 Na 0.26002021808237 0.19586864891753 0.47522340696376 22.990 > 27 28 Na 0.26002021808237 0.19586864891753 0.97522340696376 22.990 > 27 29 Na 0.69467647026987 0.51458158594410 0.04125111713594 22.990 > 29 30 Na 0.69467647026987 0.51458158594410 0.54125111713594 22.990 > 29 31 Na 0.86957407904313 0.41162367721818 0.44503956019360 22.990 > 31 32 Na 0.86957407904313 0.41162367721818 0.94503956019360 22.990 > 31 33 Na 0.30532352973013 0.01458158594410 0.20874888286406 22.990 > 33 34 Na 0.30532352973013 0.01458158594410 0.70874888286406 22.990 > 33 35 Na 0.69467647026987 0.98541841405590 0.29125111713594 22.990 > 35 36 Na 0.69467647026987 0.98541841405590 0.79125111713594 22.990 > 35 37 Na 0.02430509612395 0.23039242638165 0.03964752122667 22.990 > 37 38 Na 0.02430509612395 0.23039242638165 0.53964752122667 22.990 > 37 39 Na 0.25489833408167 0.83257071257727 0.00306889681732 22.990 > 39 40 Na 0.25489833408167 0.83257071257727 0.50306889681732 22.990 > 39 41 Na 0.48408064246496 0.74787662772514 0.25203785468283 22.990 > 41 42 Na 0.48408064246496 0.74787662772514 0.75203785468283 22.990 > 41 43 Na 0.30532352973013 0.48541841405590 0.45874888286406 22.990 > 43 44 Na 0.30532352973013 0.48541841405590 0.95874888286406 22.990 > 43 45 Na 0.74510166591833 0.16742928742273 0.49693110318268 22.990 > 45 46 Na 0.74510166591833 0.16742928742273 0.99693110318268 22.990 > 45 47 Na 0.97569490387605 0.76960757361834 0.46035247877333 22.990 > 47 48 Na 0.97569490387605 0.76960757361834 0.96035247877333 22.990 > 47 49 Ga 0.42601389805669 0.49406787107946 0.15959864193377 69.723 > 49 50 Ga 0.42601389805669 0.49406787107946 0.65959864193377 69.723 > 49 51 Ga 0.93500476275409 0.02252811848119 0.40683380990988 69.723 > 51 52 Ga 0.93500476275409 0.02252811848119 0.90683380990988 69.723 > 51 53 Ga 0.57398610194331 0.50593212892054 0.34040135806623 69.723 > 53 54 Ga 0.57398610194331 0.50593212892054 0.84040135806623 69.723 > 53 55 Ga 0.42601389805669 0.00593212892054 0.40959864193377 69.723 > 55 56 Ga 0.42601389805669 0.00593212892054 0.90959864193377 69.723 > 55 57 Ga 0.06499523724591 0.52252811848119 0.34316619009012 69.723 > 57 58 Ga 0.06499523724591 0.52252811848119 0.84316619009012 69.723 > 57 59 Ga 0.93500476275409 0.47747188151881 0.15683380990988 69.723 > 59 60 Ga 0.93500476275409 0.47747188151881 0.65683380990988 69.723 > 59 61 Ga 0.06499523724591 0.97747188151881 0.09316619009012 69.723 > 61 62 Ga 0.06499523724591 0.97747188151881 0.59316619009012 69.723 > 61 63 Ga 0.57398610194331 0.99406787107946 0.09040135806622 69.723 > 63 64 Ga 0.57398610194331 0.99406787107946 0.59040135806622 69.723 > 63 65 S 0.13057295334031 0.81247671321603 0.13275897443555 32.065 > 65 66 S 0.13057295334031 0.81247671321603 0.63275897443555 32.065 > 65 67 S 0.65185745201194 0.35616344456940 0.40415894901278 32.065 > 67 68 S 0.65185745201194 0.35616344456940 0.90415894901278 32.065 > 67 69 S 0.59920196470019 0.50820770034436 0.19149894814364 32.065 > 69 70 S 0.59920196470019 0.50820770034436 0.69149894814364 32.065 > 69 71 S 0.86942704665969 0.31247671321603 0.11724102556445 32.065 > 71 72 S 0.86942704665969 0.31247671321603 0.61724102556445 32.065 > 71 73 S 0.40079803529981 0.49179229965564 0.30850105185636 32.065 > 73 74 S 0.40079803529981 0.49179229965564 0.80850105185636 32.065 > 73 75 S 0.89287740028239 0.53263297894136 0.29294828510338 32.065 > 75 76 S 0.89287740028239 0.53263297894136 0.79294828510338 32.065 > 75 77 S 0.10712259971761 0.46736702105864 0.20705171489662 32.065 > 77 78 S 0.10712259971761 0.46736702105864 0.70705171489662 32.065 > 77 79 S 0.40079803529981 0.00820770034436 0.05850105185636 32.065 > 79 80 S 0.40079803529981 0.00820770034436 0.55850105185636 32.065 > 79 81 S 0.89287740028239 0.96736702105864 0.04294828510338 32.065 > 81 82 S 0.89287740028239 0.96736702105864 0.54294828510338 32.065 > 81 83 S 0.13057295334031 0.68752328678397 0.38275897443555 32.065 > 83 84 S 0.13057295334031 0.68752328678397 0.88275897443555 32.065 > 83 85 S 0.62014650160638 0.83088503064450 0.15365253152407 32.065 > 85 86 S 0.62014650160638 0.83088503064450 0.65365253152407 32.065 > 85 87 S 0.37985349839362 0.16911496935550 0.34634746847593 32.065 > 87 88 S 0.37985349839362 0.16911496935550 0.84634746847593 32.065 > 87 89 S 0.86942704665969 0.18752328678397 0.36724102556445 32.065 > 89 90 S 0.86942704665969 0.18752328678397 0.86724102556445 32.065 > 89 91 S 0.88856255521641 0.60998096182724 0.05559039139796 32.065 > 91 92 S 0.88856255521641 0.60998096182724 0.55559039139796 32.065 > 91 93 S 0.65185745201194 0.14383655543060 0.15415894901278 32.065 > 93 94 S 0.65185745201194 0.14383655543060 0.65415894901278 32.065 > 93 95 S 0.59920196470019 0.99179229965564 0.44149894814364 32.065 > 95 96 S 0.59920196470019 0.99179229965564 0.94149894814364 32.065 > 95 97 S 0.88856255521641 0.89001903817276 0.30559039139796 32.065 > 97 98 S 0.88856255521641 0.89001903817276 0.80559039139796 32.065 > 97 99 S 0.11143744478359 0.39001903817276 0.44440960860204 32.065 > 99 100 S 0.11143744478359 0.39001903817276 0.94440960860204 32.065 > 99 101 S 0.10712259971761 0.03263297894136 0.45705171489662 32.065 > 101 102 S 0.10712259971761 0.03263297894136 0.95705171489662 32.065 > 101 103 S 0.34814254798806 0.64383655543060 0.09584105098722 32.065 > 103 104 S 0.34814254798806 0.64383655543060 0.59584105098722 32.065 > 103 105 S 0.62014650160638 0.66911496935550 0.40365253152407 32.065 > 105 106 S 0.62014650160638 0.66911496935550 0.90365253152407 32.065 > 105 107 S 0.11143744478359 0.10998096182724 0.19440960860204 32.065 > 107 108 S 0.11143744478359 0.10998096182724 0.69440960860204 32.065 > 107 109 S 0.34814254798806 0.85616344456940 0.34584105098722 32.065 > 109 110 S 0.34814254798806 0.85616344456940 0.84584105098722 32.065 > 109 111 S 0.37985349839362 0.33088503064449 0.09634746847593 32.065 > 111 112 S 0.37985349839362 0.33088503064449 0.59634746847593 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0903901 0.0000000 0.2455939 0.0000000 4.2423167 0.0000000 0.2455973 0.0000000 4.1937742 -------------------------- Born effective charges -------------------------- 1 Na 0.9291481 0.0251620 -0.0166868 0.0122997 1.2188000 0.0239603 -0.1215571 -0.0289997 1.1179020 2 Na 1.3749752 0.0451560 0.0935185 0.0584826 1.3140700 -0.1708161 0.1382103 -0.0302687 0.9596166 3 Na 0.9291481 -0.0251620 -0.0166868 -0.0122997 1.2188000 -0.0239603 -0.1215571 0.0289997 1.1179020 4 Na 0.8115246 0.0203654 -0.0164295 0.0185813 1.3076216 -0.0224055 -0.0958162 0.0125195 1.1143474 5 Na 1.1347771 -0.0808809 -0.0972475 -0.0214305 1.0522342 -0.1282170 -0.0480748 -0.0212770 1.2008476 6 Na 1.1347771 0.0808809 -0.0972475 0.0214305 1.0522342 0.1282170 -0.0480748 0.0212770 1.2008476 7 Na 1.3295747 -0.0275574 0.0274046 -0.0510838 1.2270504 -0.0038124 0.0170501 0.0809096 1.0460504 8 Na 0.9291481 0.0251620 -0.0166868 0.0122997 1.2188000 0.0239603 -0.1215571 -0.0289997 1.1179020 9 Na 1.3749752 0.0451560 0.0935185 0.0584826 1.3140700 -0.1708161 0.1382103 -0.0302687 0.9596166 10 Na 1.1347771 -0.0808809 -0.0972475 -0.0214305 1.0522342 -0.1282170 -0.0480748 -0.0212770 1.2008476 11 Na 0.8115246 0.0203654 -0.0164295 0.0185813 1.3076216 -0.0224055 -0.0958162 0.0125195 1.1143474 12 Na 1.3295747 -0.0275574 0.0274046 -0.0510838 1.2270504 -0.0038124 0.0170501 0.0809096 1.0460504 13 Na 1.3749752 -0.0451560 0.0935185 -0.0584826 1.3140700 0.1708161 0.1382103 0.0302687 0.9596166 14 Na 1.3749752 -0.0451560 0.0935185 -0.0584826 1.3140700 0.1708161 0.1382103 0.0302687 0.9596166 15 Na 1.1935381 -0.0301967 -0.0137116 -0.0647431 0.8867642 -0.0068429 0.0601009 -0.0292579 1.2855219 16 Na 1.1347771 0.0808809 -0.0972475 0.0214305 1.0522342 0.1282170 -0.0480748 0.0212770 1.2008476 17 Na 1.1935381 0.0301967 -0.0137116 0.0647431 0.8867642 0.0068429 0.0601009 0.0292579 1.2855219 18 Na 1.1935381 0.0301967 -0.0137116 0.0647431 0.8867642 0.0068429 0.0601009 0.0292579 1.2855219 19 Na 0.8115246 -0.0203654 -0.0164295 -0.0185813 1.3076216 0.0224055 -0.0958162 -0.0125195 1.1143474 20 Na 1.3295747 0.0275574 0.0274046 0.0510838 1.2270504 0.0038124 0.0170501 -0.0809096 1.0460504 21 Na 0.9291481 -0.0251620 -0.0166868 -0.0122997 1.2188000 -0.0239603 -0.1215571 0.0289997 1.1179020 22 Na 1.1935381 -0.0301967 -0.0137116 -0.0647431 0.8867642 -0.0068429 0.0601009 -0.0292579 1.2855219 23 Na 1.3295747 0.0275574 0.0274046 0.0510838 1.2270504 0.0038124 0.0170501 -0.0809096 1.0460504 24 Na 0.8115246 -0.0203654 -0.0164295 -0.0185813 1.3076216 0.0224055 -0.0958162 -0.0125195 1.1143474 25 Ga 1.9351536 -0.1234660 0.6776803 -0.0681365 2.3714184 -0.0047992 0.6259017 0.0631409 2.3507330 26 Ga 1.6574568 -0.2159744 0.5228274 -0.2672830 2.3182505 0.0061451 0.4592218 -0.0239534 2.6223435 27 Ga 1.9351536 -0.1234660 0.6776803 -0.0681365 2.3714184 -0.0047992 0.6259017 0.0631409 2.3507330 28 Ga 1.9351536 0.1234660 0.6776803 0.0681365 2.3714184 0.0047992 0.6259017 -0.0631409 2.3507330 29 Ga 1.6574568 0.2159744 0.5228274 0.2672830 2.3182505 -0.0061451 0.4592218 0.0239534 2.6223435 30 Ga 1.6574568 0.2159744 0.5228274 0.2672830 2.3182505 -0.0061451 0.4592218 0.0239534 2.6223435 31 Ga 1.6574568 -0.2159744 0.5228274 -0.2672830 2.3182505 0.0061451 0.4592218 -0.0239534 2.6223435 32 Ga 1.9351536 0.1234660 0.6776803 0.0681365 2.3714184 0.0047992 0.6259017 -0.0631409 2.3507330 33 S -1.4396308 0.3649868 -0.2071873 0.3105024 -2.4347843 0.1831849 -0.1737099 0.3821174 -1.7527625 34 S -1.6674086 0.3429142 -0.3261559 0.3511285 -2.1845139 0.3890668 -0.3332994 0.4612067 -1.7890071 35 S -2.2703052 -0.0316691 -0.1073728 -0.0561268 -1.3347129 0.0052010 -0.0330531 -0.0054348 -2.1648481 36 S -1.4396308 -0.3649868 -0.2071873 -0.3105024 -2.4347843 -0.1831849 -0.1737099 -0.3821174 -1.7527625 37 S -2.2703052 -0.0316691 -0.1073728 -0.0561268 -1.3347129 0.0052010 -0.0330531 -0.0054348 -2.1648481 38 S -2.0953521 0.0665662 -0.1883665 -0.0345519 -1.4351281 -0.1602366 -0.1045924 -0.1625754 -2.1080348 39 S -2.0953521 0.0665662 -0.1883665 -0.0345519 -1.4351281 -0.1602366 -0.1045924 -0.1625754 -2.1080348 40 S -2.2703052 0.0316691 -0.1073728 0.0561268 -1.3347129 -0.0052010 -0.0330531 0.0054348 -2.1648481 41 S -2.0953521 -0.0665662 -0.1883665 0.0345519 -1.4351281 0.1602366 -0.1045924 0.1625754 -2.1080348 42 S -1.4396308 -0.3649868 -0.2071873 -0.3105024 -2.4347843 -0.1831849 -0.1737099 -0.3821174 -1.7527625 43 S -1.4310376 0.1972213 -0.2471635 0.1817708 -2.2065363 0.4119545 -0.2423805 0.4781259 -1.8483418 44 S -1.4310376 0.1972213 -0.2471635 0.1817708 -2.2065363 0.4119545 -0.2423805 0.4781259 -1.8483418 45 S -1.4396308 0.3649868 -0.2071873 0.3105024 -2.4347843 0.1831849 -0.1737099 0.3821174 -1.7527625 46 S -1.4624137 0.0574887 -0.1011094 0.0128199 -2.1005336 0.4259370 -0.1480014 0.5867080 -2.0343681 47 S -1.6674086 -0.3429142 -0.3261559 -0.3511285 -2.1845139 -0.3890668 -0.3332994 -0.4612067 -1.7890071 48 S -2.2703052 0.0316691 -0.1073728 0.0561268 -1.3347129 -0.0052010 -0.0330531 0.0054348 -2.1648481 49 S -1.4624137 -0.0574887 -0.1011094 -0.0128199 -2.1005336 -0.4259370 -0.1480014 -0.5867080 -2.0343681 50 S -1.4624137 0.0574887 -0.1011094 0.0128199 -2.1005336 0.4259370 -0.1480014 0.5867080 -2.0343681 51 S -2.0953521 -0.0665662 -0.1883665 0.0345519 -1.4351281 0.1602366 -0.1045924 0.1625754 -2.1080348 52 S -1.6674086 0.3429142 -0.3261559 0.3511285 -2.1845139 0.3890668 -0.3332994 0.4612067 -1.7890071 53 S -1.4310376 -0.1972213 -0.2471635 -0.1817708 -2.2065363 -0.4119545 -0.2423805 -0.4781259 -1.8483418 54 S -1.4624137 -0.0574887 -0.1011094 -0.0128199 -2.1005336 -0.4259370 -0.1480014 -0.5867080 -2.0343681 55 S -1.6674086 -0.3429142 -0.3261559 -0.3511285 -2.1845139 -0.3890668 -0.3332994 -0.4612067 -1.7890071 56 S -1.4310376 -0.1972213 -0.2471635 -0.1817708 -2.2065363 -0.4119545 -0.2423805 -0.4781259 -1.8483418 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 ... [ 4 4 7 ] 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: 0.39, Number of G-points: 303, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.068 ( 0.000 0.000 0.000) 0.000 1.277 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.478 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.920 ( 0.000 0.000 0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.136 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.251 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.503 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.560 ( 0.000 0.000 0.000) 0.000 2.563 ( 0.000 0.000 0.000) 0.000 2.634 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.857 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.125 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.240 ( 0.000 0.000 0.000) 0.000 3.310 ( 0.000 0.000 0.000) 0.000 3.330 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.467 ( 0.000 0.000 0.000) 0.000 3.519 ( 0.000 0.000 0.000) 0.000 3.533 ( 0.000 0.000 0.000) 0.000 3.550 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.818 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.943 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.074 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.100 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.191 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.253 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.572 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.677 ( 0.000 0.000 0.000) 0.000 4.731 ( 0.000 0.000 0.000) 0.000 4.764 ( 0.000 0.000 0.000) 0.000 4.770 ( 0.000 0.000 0.000) 0.000 4.818 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 4.888 ( 0.000 0.000 0.000) 0.000 4.931 ( 0.000 0.000 0.000) 0.000 4.997 ( 0.000 0.000 0.000) 0.000 5.053 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.088 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.237 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.381 ( 0.000 0.000 0.000) 0.000 5.385 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.642 ( 0.000 0.000 0.000) 0.000 5.700 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.731 ( 0.000 0.000 0.000) 0.000 5.735 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.849 ( 0.000 0.000 0.000) 0.000 5.868 ( 0.000 0.000 0.000) 0.000 5.897 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 5.979 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.030 ( 0.000 0.000 0.000) 0.000 6.078 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.150 ( 0.000 0.000 0.000) 0.000 6.239 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.465 ( 0.000 0.000 0.000) 0.000 6.599 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.624 ( 0.000 0.000 0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 6.740 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.973 ( 0.000 0.000 0.000) 0.000 6.981 ( 0.000 0.000 0.000) 0.000 6.992 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.128 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 8.009 ( 0.000 0.000 0.000) 0.000 8.023 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.628 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.742 ( 0.000 0.000 0.000) 0.000 9.145 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.809 ( 0.000 0.000 0.000) 0.000 9.852 ( 0.000 0.000 0.000) 0.000 9.860 ( 0.000 0.000 0.000) 0.000 9.864 ( 0.000 0.000 0.000) 0.000 9.879 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.389 ( 0.000 0.000 0.000) 0.000 10.607 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.825 ( 0.000 0.000 0.000) 0.000 10.979 ( 0.000 0.000 0.000) 0.000 11.002 ( 0.000 0.000 0.000) 0.000 11.062 ( 0.000 0.000 0.000) 0.000 11.079 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.137 ( 0.000 0.000 0.000) 0.000 11.515 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.910 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( 20.959 0.000 4.735) 21.487 0.454 ( 21.913 0.000 12.327) 25.142 0.736 ( 36.610 0.000 3.540) 36.780 1.113 ( -14.079 0.000 -2.994) 14.394 1.120 ( 3.675 0.000 4.206) 5.586 1.189 ( -9.139 0.000 -5.809) 10.829 1.468 ( -0.565 0.000 3.775) 3.817 1.539 ( -10.822 0.000 3.616) 11.410 1.600 ( -3.156 0.000 -2.698) 4.152 1.710 ( 8.786 0.000 1.793) 8.967 1.802 ( 3.249 0.000 -2.883) 4.343 1.804 ( -0.631 0.000 3.796) 3.848 1.871 ( 1.597 0.000 -3.042) 3.435 1.947 ( -1.768 0.000 3.739) 4.136 1.955 ( 1.278 0.000 -3.527) 3.751 2.038 ( -5.659 0.000 -2.374) 6.137 2.083 ( -7.067 0.000 -4.834) 8.562 2.124 ( -5.327 0.000 -1.645) 5.576 2.181 ( -0.656 0.000 0.225) 0.694 2.213 ( -0.272 0.000 -0.123) 0.298 2.228 ( 2.451 0.000 -2.680) 3.632 2.314 ( 3.079 0.000 3.987) 5.037 2.360 ( -1.660 0.000 2.032) 2.624 2.460 ( -3.026 0.000 -2.629) 4.009 2.464 ( -0.344 0.000 -5.677) 5.688 2.494 ( -2.006 0.000 1.752) 2.663 2.531 ( -2.866 0.000 -3.332) 4.395 2.603 ( 1.418 0.000 2.404) 2.791 2.674 ( -0.927 0.000 4.049) 4.153 2.691 ( 1.237 0.000 0.589) 1.370 2.776 ( -7.223 0.000 -1.208) 7.323 2.824 ( 6.121 0.000 0.961) 6.196 2.830 ( 0.785 0.000 -2.953) 3.055 2.909 ( -0.968 0.000 1.488) 1.776 2.922 ( 0.785 0.000 0.794) 1.117 3.041 ( 1.783 0.000 -0.330) 1.813 3.067 ( -1.853 0.000 3.261) 3.751 3.126 ( 6.002 0.000 0.054) 6.003 3.126 ( -0.491 0.000 0.654) 0.818 3.176 ( 0.331 0.000 8.435) 8.441 3.185 ( 3.380 0.000 6.178) 7.042 3.260 ( 3.423 0.000 -0.605) 3.476 3.281 ( -2.455 0.000 0.847) 2.597 3.292 ( 4.177 0.000 -0.804) 4.254 3.364 ( 1.464 0.000 2.586) 2.972 3.365 ( 1.315 0.000 -2.064) 2.447 3.403 ( -2.735 0.000 -6.993) 7.508 3.458 ( 2.601 0.000 -1.713) 3.115 3.465 ( -3.754 0.000 1.332) 3.983 3.511 ( -1.783 0.000 5.880) 6.144 3.516 ( 2.468 0.000 -0.748) 2.579 3.569 ( 0.089 0.000 0.325) 0.337 3.587 ( 2.875 0.000 -0.650) 2.947 3.598 ( -0.813 0.000 2.679) 2.800 3.627 ( 1.481 0.000 -0.827) 1.696 3.674 ( -3.806 0.000 1.485) 4.085 3.741 ( -2.905 0.000 -2.909) 4.111 3.798 ( -1.081 0.000 -7.467) 7.545 3.807 ( -6.818 0.000 -3.004) 7.451 3.860 ( -4.209 0.000 -6.349) 7.617 3.874 ( -1.224 0.000 0.414) 1.292 3.906 ( -4.619 0.000 -2.355) 5.185 3.912 ( 0.152 0.000 1.762) 1.769 3.964 ( -4.078 0.000 2.437) 4.751 4.006 ( -5.689 0.000 -1.070) 5.789 4.010 ( -3.897 0.000 2.710) 4.747 4.064 ( 5.029 0.000 5.403) 7.382 4.111 ( 2.431 0.000 1.161) 2.694 4.136 ( 5.627 0.000 -0.175) 5.630 4.148 ( 3.203 0.000 3.128) 4.477 4.255 ( 4.825 0.000 -0.402) 4.841 4.276 ( 1.782 0.000 1.154) 2.123 4.311 ( -0.498 0.000 -0.383) 0.628 4.345 ( 0.491 0.000 5.148) 5.171 4.373 ( -0.021 0.000 -0.186) 0.187 4.385 ( -1.576 0.000 3.239) 3.602 4.468 ( 5.312 0.000 -1.693) 5.575 4.493 ( -0.889 0.000 1.367) 1.630 4.499 ( 1.374 0.000 -8.810) 8.917 4.552 ( -3.117 0.000 0.182) 3.123 4.647 ( 5.089 0.000 -3.671) 6.275 4.681 ( -4.266 0.000 -0.159) 4.269 4.697 ( 1.705 0.000 0.357) 1.742 4.782 ( -1.749 0.000 2.766) 3.273 4.813 ( 1.497 0.000 -3.367) 3.684 4.837 ( 4.395 0.000 4.312) 6.157 4.883 ( 3.130 0.000 0.685) 3.204 4.919 ( 1.894 0.000 -2.590) 3.208 4.929 ( -0.373 0.000 0.781) 0.865 4.995 ( -4.344 0.000 -2.511) 5.018 5.037 ( 3.520 0.000 -0.872) 3.627 5.056 ( -1.753 0.000 -0.504) 1.824 5.103 ( 0.782 0.000 2.617) 2.732 5.118 ( -3.211 0.000 0.819) 3.314 5.203 ( -5.588 0.000 3.108) 6.394 5.261 ( -1.889 0.000 -5.018) 5.362 5.366 ( 1.895 0.000 -7.047) 7.297 5.399 ( -0.790 0.000 -3.282) 3.376 5.408 ( 2.641 0.000 3.915) 4.723 5.473 ( 9.796 0.000 4.620) 10.831 5.480 ( -0.817 0.000 6.567) 6.617 5.539 ( 5.537 0.000 -5.133) 7.550 5.602 ( -3.405 0.000 1.777) 3.840 5.676 ( -2.709 0.000 -1.441) 3.069 5.696 ( -2.545 0.000 0.092) 2.547 5.706 ( 0.276 0.000 -2.876) 2.889 5.740 ( -0.503 0.000 -0.610) 0.791 5.825 ( -1.575 0.000 -1.386) 2.099 5.837 ( -7.703 0.000 8.223) 11.268 5.857 ( 1.615 0.000 -7.914) 8.077 5.885 ( -3.384 0.000 5.285) 6.275 5.896 ( 1.593 0.000 1.546) 2.220 5.932 ( 0.086 0.000 1.509) 1.512 5.970 ( -0.620 0.000 6.829) 6.857 5.995 ( 0.751 0.000 0.334) 0.822 6.010 ( -1.627 0.000 5.902) 6.122 6.056 ( -2.790 0.000 -0.418) 2.821 6.091 ( -0.917 0.000 2.867) 3.010 6.105 ( -0.205 0.000 3.737) 3.743 6.215 ( -3.022 0.000 -3.236) 4.428 6.234 ( 2.577 0.000 2.974) 3.935 6.355 ( 0.273 0.000 -0.209) 0.344 6.420 ( 0.743 0.000 -0.442) 0.865 6.432 ( -1.027 0.000 3.603) 3.747 6.492 ( 1.809 0.000 3.615) 4.042 6.604 ( 0.141 0.000 -0.961) 0.971 6.618 ( -1.043 0.000 2.201) 2.435 6.704 ( 2.251 0.000 -5.212) 5.677 6.768 ( 3.986 0.000 -10.275) 11.021 6.776 ( 3.457 0.000 -1.596) 3.808 6.859 ( 2.574 0.000 -0.239) 2.585 6.943 ( -3.588 0.000 -0.358) 3.606 6.975 ( -1.945 0.000 0.557) 2.023 6.990 ( -1.546 0.000 -0.055) 1.547 7.052 ( 2.104 0.000 -9.056) 9.297 7.129 ( 0.063 0.000 -2.900) 2.900 7.910 ( 2.035 0.000 -0.574) 2.115 8.010 ( -2.666 0.000 0.662) 2.747 8.013 ( 0.547 0.000 -0.994) 1.135 8.024 ( -0.218 0.000 1.299) 1.317 8.679 ( 4.150 0.000 0.618) 4.196 8.680 ( -1.687 0.000 11.371) 11.496 8.721 ( 1.231 0.000 -0.407) 1.297 8.797 ( -1.561 0.000 9.471) 9.599 9.277 ( 2.316 0.000 -0.087) 2.318 9.557 ( -7.309 0.000 0.401) 7.320 9.620 ( 6.657 0.000 -30.116) 30.843 9.753 ( -5.389 0.000 6.893) 8.749 9.861 ( 0.758 0.000 0.131) 0.769 9.873 ( 0.779 0.000 -0.149) 0.794 9.888 ( 1.346 0.000 -1.125) 1.754 9.889 ( 0.897 0.000 -0.128) 0.906 10.359 ( -0.167 0.000 0.201) 0.261 10.382 ( -0.138 0.000 -0.723) 0.736 10.624 ( 1.631 0.000 -1.034) 1.931 10.733 ( -2.463 0.000 14.631) 14.837 10.769 ( 1.770 0.000 0.406) 1.816 10.820 ( -0.503 0.000 0.665) 0.833 10.941 ( -1.619 0.000 10.976) 11.095 10.976 ( -0.488 0.000 0.990) 1.103 11.002 ( 0.110 0.000 -0.324) 0.342 11.068 ( 0.727 0.000 -0.770) 1.059 11.081 ( 0.123 0.000 -0.036) 0.128 11.130 ( 0.234 0.000 -0.047) 0.239 11.158 ( -1.854 0.000 1.370) 2.305 11.498 ( -1.382 0.000 -0.511) 1.473 11.696 ( 3.730 0.000 0.208) 3.735 11.874 ( -3.577 0.000 -0.461) 3.606 ======================= Grid point 2 (3/45) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( -0.000 0.000 -0.000) 0.000 0.806 ( 0.000 0.000 0.000) 0.000 0.827 ( -0.000 0.000 -0.000) 0.000 0.909 ( 0.000 0.000 0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.292 ( 0.000 0.000 -0.000) 0.000 1.429 ( 0.000 0.000 -0.000) 0.000 1.482 ( -0.000 0.000 -0.000) 0.000 1.546 ( 0.000 0.000 0.000) 0.000 1.696 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.844 ( 0.000 0.000 -0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.945 ( 0.000 0.000 -0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 -0.000) 0.000 2.080 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.227 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 -0.000) 0.000 2.328 ( -0.000 0.000 -0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 -0.000) 0.000 2.434 ( 0.000 0.000 -0.000) 0.000 2.490 ( 0.000 0.000 0.000) 0.000 2.515 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.664 ( 0.000 0.000 -0.000) 0.000 2.666 ( 0.000 0.000 0.000) 0.000 2.679 ( -0.000 0.000 0.000) 0.000 2.848 ( 0.000 0.000 -0.000) 0.000 2.860 ( 0.000 0.000 -0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 2.947 ( 0.000 0.000 -0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.059 ( 0.000 0.000 -0.000) 0.000 3.124 ( 0.000 0.000 -0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.200 ( 0.000 0.000 0.000) 0.000 3.227 ( 0.000 0.000 -0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 -0.000) 0.000 3.397 ( 0.000 0.000 -0.000) 0.000 3.404 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 -0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 -0.000) 0.000 3.537 ( 0.000 0.000 -0.000) 0.000 3.547 ( -0.000 0.000 -0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.634 ( -0.000 0.000 -0.000) 0.000 3.660 ( -0.000 0.000 -0.000) 0.000 3.662 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 -0.000) 0.000 3.790 ( 0.000 0.000 -0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.812 ( -0.000 0.000 -0.000) 0.000 3.890 ( 0.000 0.000 -0.000) 0.000 3.896 ( 0.000 0.000 -0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.945 ( 0.000 0.000 0.000) 0.000 3.964 ( 0.000 0.000 0.000) 0.000 4.136 ( 0.000 0.000 -0.000) 0.000 4.156 ( 0.000 0.000 -0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.295 ( 0.000 0.000 -0.000) 0.000 4.316 ( -0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.344 ( 0.000 0.000 -0.000) 0.000 4.347 ( 0.000 0.000 -0.000) 0.000 4.370 ( 0.000 0.000 0.000) 0.000 4.470 ( 0.000 0.000 0.000) 0.000 4.483 ( 0.000 0.000 -0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.578 ( -0.000 0.000 0.000) 0.000 4.609 ( 0.000 0.000 -0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.774 ( 0.000 0.000 -0.000) 0.000 4.838 ( 0.000 0.000 -0.000) 0.000 4.848 ( 0.000 0.000 -0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 -0.000) 0.000 4.975 ( 0.000 0.000 -0.000) 0.000 4.989 ( 0.000 0.000 0.000) 0.000 5.028 ( 0.000 0.000 0.000) 0.000 5.036 ( -0.000 0.000 -0.000) 0.000 5.079 ( 0.000 0.000 -0.000) 0.000 5.129 ( 0.000 0.000 -0.000) 0.000 5.140 ( 0.000 0.000 0.000) 0.000 5.243 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.408 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 -0.000) 0.000 5.448 ( 0.000 0.000 0.000) 0.000 5.582 ( 0.000 0.000 -0.000) 0.000 5.593 ( -0.000 0.000 0.000) 0.000 5.609 ( 0.000 0.000 0.000) 0.000 5.641 ( 0.000 0.000 0.000) 0.000 5.682 ( 0.000 0.000 -0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 -0.000) 0.000 5.763 ( 0.000 0.000 -0.000) 0.000 5.777 ( 0.000 0.000 -0.000) 0.000 5.851 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 -0.000) 0.000 5.901 ( -0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 -0.000) 0.000 6.004 ( -0.000 0.000 0.000) 0.000 6.005 ( 0.000 0.000 -0.000) 0.000 6.041 ( 0.000 0.000 0.000) 0.000 6.076 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 -0.000) 0.000 6.165 ( -0.000 0.000 -0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.424 ( 0.000 0.000 -0.000) 0.000 6.426 ( 0.000 0.000 -0.000) 0.000 6.522 ( 0.000 0.000 -0.000) 0.000 6.606 ( -0.000 0.000 0.000) 0.000 6.608 ( 0.000 0.000 -0.000) 0.000 6.711 ( 0.000 0.000 -0.000) 0.000 6.817 ( 0.000 0.000 -0.000) 0.000 6.831 ( 0.000 0.000 -0.000) 0.000 6.874 ( -0.000 0.000 -0.000) 0.000 6.902 ( 0.000 0.000 -0.000) 0.000 6.940 ( -0.000 0.000 0.000) 0.000 6.967 ( 0.000 0.000 -0.000) 0.000 7.059 ( 0.000 0.000 0.000) 0.000 7.124 ( 0.000 0.000 -0.000) 0.000 7.956 ( 0.000 0.000 -0.000) 0.000 7.958 ( -0.000 0.000 0.000) 0.000 8.020 ( 0.000 0.000 -0.000) 0.000 8.021 ( -0.000 0.000 0.000) 0.000 8.681 ( 0.000 0.000 -0.000) 0.000 8.722 ( 0.000 0.000 -0.000) 0.000 8.741 ( 0.000 0.000 0.000) 0.000 8.796 ( 0.000 0.000 0.000) 0.000 9.328 ( 0.000 0.000 -0.000) 0.000 9.450 ( 0.000 0.000 -0.000) 0.000 9.666 ( 0.000 0.000 -0.000) 0.000 9.683 ( 0.000 0.000 0.000) 0.000 9.871 ( 0.000 0.000 -0.000) 0.000 9.880 ( 0.000 0.000 -0.000) 0.000 9.898 ( 0.000 0.000 -0.000) 0.000 9.898 ( 0.000 0.000 -0.000) 0.000 10.357 ( 0.000 0.000 0.000) 0.000 10.379 ( 0.000 0.000 -0.000) 0.000 10.642 ( 0.000 0.000 -0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.814 ( 0.000 0.000 0.000) 0.000 10.942 ( 0.000 0.000 -0.000) 0.000 10.971 ( 0.000 0.000 -0.000) 0.000 11.004 ( 0.000 0.000 -0.000) 0.000 11.079 ( -0.000 0.000 0.000) 0.000 11.082 ( 0.000 0.000 0.000) 0.000 11.133 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 -0.000) 0.000 11.480 ( 0.000 0.000 -0.000) 0.000 11.769 ( 0.000 0.000 0.000) 0.000 11.802 ( -0.000 0.000 -0.000) 0.000 ======================= Grid point 5 (4/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( 0.000 19.415 0.000) 19.415 0.462 ( 0.000 21.679 0.000) 21.679 0.836 ( 0.000 37.927 0.000) 37.927 1.046 ( 0.000 -3.573 0.000) 3.573 1.298 ( 0.000 -6.564 0.000) 6.564 1.303 ( 0.000 2.048 0.000) 2.048 1.329 ( 0.000 -12.747 0.000) 12.747 1.501 ( 0.000 -5.836 0.000) 5.836 1.590 ( 0.000 -8.744 0.000) 8.744 1.676 ( 0.000 1.535 0.000) 1.535 1.705 ( 0.000 5.226 0.000) 5.226 1.728 ( 0.000 -3.704 0.000) 3.704 1.852 ( 0.000 1.225 0.000) 1.225 1.857 ( 0.000 -4.654 0.000) 4.654 2.047 ( 0.000 4.828 0.000) 4.828 2.094 ( 0.000 0.155 0.000) 0.155 2.101 ( 0.000 -5.111 0.000) 5.111 2.174 ( 0.000 -12.328 0.000) 12.328 2.220 ( 0.000 1.959 0.000) 1.959 2.257 ( 0.000 -0.331 0.000) 0.331 2.282 ( 0.000 7.489 0.000) 7.489 2.331 ( 0.000 0.108 0.000) 0.108 2.369 ( 0.000 2.718 0.000) 2.718 2.463 ( 0.000 -5.133 0.000) 5.133 2.499 ( 0.000 4.537 0.000) 4.537 2.506 ( 0.000 -3.243 0.000) 3.243 2.580 ( 0.000 3.529 0.000) 3.529 2.603 ( 0.000 -5.288 0.000) 5.288 2.616 ( 0.000 -1.508 0.000) 1.508 2.626 ( 0.000 1.554 0.000) 1.554 2.746 ( 0.000 5.612 0.000) 5.612 2.776 ( 0.000 -6.974 0.000) 6.974 2.867 ( 0.000 -2.385 0.000) 2.385 2.920 ( 0.000 3.889 0.000) 3.889 2.978 ( 0.000 0.655 0.000) 0.655 2.989 ( 0.000 3.732 0.000) 3.732 3.041 ( 0.000 1.942 0.000) 1.942 3.056 ( 0.000 -1.394 0.000) 1.394 3.102 ( 0.000 1.432 0.000) 1.432 3.138 ( 0.000 -3.648 0.000) 3.648 3.165 ( 0.000 3.717 0.000) 3.717 3.206 ( 0.000 -7.667 0.000) 7.667 3.226 ( 0.000 2.643 0.000) 2.643 3.252 ( 0.000 -0.951 0.000) 0.951 3.309 ( 0.000 -1.051 0.000) 1.051 3.335 ( 0.000 2.767 0.000) 2.767 3.368 ( 0.000 -4.660 0.000) 4.660 3.454 ( 0.000 -1.531 0.000) 1.531 3.510 ( 0.000 -1.594 0.000) 1.594 3.529 ( 0.000 -0.308 0.000) 0.308 3.548 ( 0.000 0.102 0.000) 0.102 3.555 ( 0.000 4.562 0.000) 4.562 3.581 ( 0.000 2.765 0.000) 2.765 3.604 ( 0.000 0.071 0.000) 0.071 3.669 ( 0.000 4.649 0.000) 4.649 3.675 ( 0.000 -2.245 0.000) 2.245 3.754 ( 0.000 -1.552 0.000) 1.552 3.773 ( 0.000 -5.048 0.000) 5.048 3.810 ( 0.000 -3.194 0.000) 3.194 3.817 ( 0.000 -3.079 0.000) 3.079 3.846 ( 0.000 -4.095 0.000) 4.095 3.912 ( 0.000 -2.136 0.000) 2.136 3.966 ( 0.000 0.039 0.000) 0.039 4.017 ( 0.000 2.892 0.000) 2.892 4.034 ( 0.000 -2.033 0.000) 2.033 4.065 ( 0.000 -2.426 0.000) 2.426 4.072 ( 0.000 1.729 0.000) 1.729 4.096 ( 0.000 2.196 0.000) 2.196 4.132 ( 0.000 1.195 0.000) 1.195 4.145 ( 0.000 -4.875 0.000) 4.875 4.179 ( 0.000 3.983 0.000) 3.983 4.223 ( 0.000 1.432 0.000) 1.432 4.261 ( 0.000 -2.289 0.000) 2.289 4.274 ( 0.000 0.775 0.000) 0.775 4.378 ( 0.000 2.460 0.000) 2.460 4.387 ( 0.000 -0.052 0.000) 0.052 4.522 ( 0.000 4.693 0.000) 4.693 4.532 ( 0.000 0.646 0.000) 0.646 4.570 ( 0.000 -1.366 0.000) 1.366 4.614 ( 0.000 4.351 0.000) 4.351 4.673 ( 0.000 -1.042 0.000) 1.042 4.704 ( 0.000 2.043 0.000) 2.043 4.715 ( 0.000 -1.177 0.000) 1.177 4.768 ( 0.000 0.301 0.000) 0.301 4.801 ( 0.000 2.287 0.000) 2.287 4.825 ( 0.000 -3.395 0.000) 3.395 4.897 ( 0.000 1.267 0.000) 1.267 4.907 ( 0.000 1.366 0.000) 1.366 4.998 ( 0.000 1.081 0.000) 1.081 5.059 ( 0.000 -2.568 0.000) 2.568 5.072 ( 0.000 -0.710 0.000) 0.710 5.122 ( 0.000 -0.300 0.000) 0.300 5.122 ( 0.000 0.979 0.000) 0.979 5.179 ( 0.000 0.042 0.000) 0.042 5.215 ( 0.000 4.403 0.000) 4.403 5.251 ( 0.000 -2.769 0.000) 2.769 5.322 ( 0.000 -3.168 0.000) 3.168 5.334 ( 0.000 -4.178 0.000) 4.178 5.420 ( 0.000 1.746 0.000) 1.746 5.469 ( 0.000 3.479 0.000) 3.479 5.502 ( 0.000 5.888 0.000) 5.888 5.524 ( 0.000 2.703 0.000) 2.703 5.618 ( 0.000 -2.278 0.000) 2.278 5.621 ( 0.000 2.973 0.000) 2.973 5.664 ( 0.000 -2.314 0.000) 2.314 5.676 ( 0.000 -2.017 0.000) 2.017 5.703 ( 0.000 -3.902 0.000) 3.902 5.769 ( 0.000 -5.550 0.000) 5.550 5.780 ( 0.000 2.899 0.000) 2.899 5.882 ( 0.000 -0.354 0.000) 0.354 5.898 ( 0.000 2.255 0.000) 2.255 5.942 ( 0.000 -0.129 0.000) 0.129 5.945 ( 0.000 1.224 0.000) 1.224 5.986 ( 0.000 -0.207 0.000) 0.207 6.054 ( 0.000 1.294 0.000) 1.294 6.070 ( 0.000 -1.220 0.000) 1.220 6.090 ( 0.000 1.171 0.000) 1.171 6.105 ( 0.000 1.550 0.000) 1.550 6.142 ( 0.000 -1.163 0.000) 1.163 6.182 ( 0.000 -2.207 0.000) 2.207 6.267 ( 0.000 1.694 0.000) 1.694 6.293 ( 0.000 3.448 0.000) 3.448 6.340 ( 0.000 -0.860 0.000) 0.860 6.403 ( 0.000 -3.494 0.000) 3.494 6.602 ( 0.000 0.496 0.000) 0.496 6.626 ( 0.000 1.126 0.000) 1.126 6.636 ( 0.000 1.128 0.000) 1.128 6.687 ( 0.000 -0.200 0.000) 0.200 6.756 ( 0.000 1.418 0.000) 1.418 6.796 ( 0.000 0.229 0.000) 0.229 6.882 ( 0.000 2.019 0.000) 2.019 6.962 ( 0.000 -1.104 0.000) 1.104 6.977 ( 0.000 -0.056 0.000) 0.056 7.000 ( 0.000 -0.492 0.000) 0.492 7.023 ( 0.000 0.954 0.000) 0.954 7.108 ( 0.000 -1.856 0.000) 1.856 7.897 ( 0.000 0.701 0.000) 0.701 7.979 ( 0.000 -2.536 0.000) 2.536 8.024 ( 0.000 0.098 0.000) 0.098 8.034 ( 0.000 -0.271 0.000) 0.271 8.577 ( 0.000 2.721 0.000) 2.721 8.635 ( 0.000 0.356 0.000) 0.356 8.726 ( 0.000 1.065 0.000) 1.065 8.744 ( 0.000 0.095 0.000) 0.095 9.146 ( 0.000 0.333 0.000) 0.333 9.227 ( 0.000 -2.707 0.000) 2.707 9.661 ( 0.000 2.054 0.000) 2.054 9.786 ( 0.000 -2.155 0.000) 2.155 9.857 ( 0.000 0.410 0.000) 0.410 9.862 ( 0.000 0.113 0.000) 0.113 9.864 ( 0.000 -0.033 0.000) 0.033 9.876 ( 0.000 -0.289 0.000) 0.289 10.363 ( 0.000 0.180 0.000) 0.180 10.386 ( 0.000 -0.294 0.000) 0.294 10.401 ( 0.000 1.451 0.000) 1.451 10.632 ( 0.000 2.228 0.000) 2.228 10.632 ( 0.000 -10.723 0.000) 10.723 10.738 ( 0.000 -2.059 0.000) 2.059 10.839 ( 0.000 1.510 0.000) 1.510 10.983 ( 0.000 -4.000 0.000) 4.000 11.044 ( 0.000 1.392 0.000) 1.392 11.134 ( 0.000 0.126 0.000) 0.126 11.169 ( 0.000 5.065 0.000) 5.065 11.224 ( 0.000 4.660 0.000) 4.660 11.522 ( 0.000 1.391 0.000) 1.391 11.639 ( 0.000 -1.887 0.000) 1.887 11.939 ( 0.000 2.659 0.000) 2.659 12.079 ( 0.000 -2.651 0.000) 2.651 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.25 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.567 ( 12.428 13.927 2.445) 18.826 0.619 ( 16.156 12.514 1.878) 20.522 1.048 ( 12.793 16.635 0.447) 20.990 1.092 ( 2.700 1.335 4.835) 5.696 1.174 ( -8.618 1.811 -2.558) 9.170 1.233 ( -2.395 5.833 -0.818) 6.358 1.357 ( 2.238 -10.807 -0.083) 11.037 1.460 ( -4.767 -5.809 -1.716) 7.708 1.540 ( -5.459 0.808 3.152) 6.355 1.593 ( -1.423 -11.438 -1.614) 11.639 1.691 ( -4.470 -5.193 0.422) 6.865 1.774 ( 3.451 3.443 -0.733) 4.930 1.831 ( 3.800 -4.929 0.072) 6.224 1.894 ( 0.461 0.233 0.017) 0.517 2.029 ( -4.616 1.355 0.778) 4.873 2.056 ( -4.834 0.179 -3.435) 5.932 2.127 ( -0.354 5.440 1.763) 5.730 2.203 ( 3.816 -2.541 2.329) 5.142 2.237 ( 3.891 -5.765 -2.136) 7.275 2.262 ( 0.153 2.487 -0.442) 2.531 2.321 ( 1.988 0.743 1.768) 2.762 2.336 ( -0.930 3.596 0.275) 3.724 2.386 ( -1.569 4.225 0.608) 4.548 2.406 ( -2.291 1.868 -8.138) 8.658 2.452 ( 0.896 -2.342 2.995) 3.906 2.507 ( -4.284 4.059 -2.276) 6.325 2.521 ( -2.212 2.093 -0.586) 3.101 2.588 ( -0.359 -0.659 -0.359) 0.832 2.643 ( 2.397 -1.791 1.186) 3.219 2.668 ( 0.714 -0.982 3.274) 3.492 2.704 ( -3.206 -3.868 0.037) 5.024 2.758 ( -0.967 -1.512 -1.207) 2.163 2.878 ( -0.423 -0.420 1.406) 1.527 2.917 ( 2.319 -3.750 -1.938) 4.816 2.939 ( -2.614 0.659 1.687) 3.180 2.999 ( 1.798 -0.685 0.685) 2.042 3.042 ( 0.309 0.367 0.416) 0.635 3.073 ( -1.366 0.944 0.516) 1.739 3.136 ( 0.142 -3.868 0.221) 3.877 3.144 ( 0.434 -6.768 1.089) 6.868 3.166 ( -0.066 -2.287 -1.090) 2.535 3.197 ( 0.610 0.776 0.182) 1.004 3.253 ( 1.951 0.091 0.835) 2.124 3.286 ( 1.858 -0.337 1.485) 2.402 3.309 ( 1.217 -2.610 1.923) 3.463 3.367 ( 2.528 0.900 1.224) 2.950 3.424 ( 0.270 -3.366 -2.291) 4.081 3.449 ( 1.289 -0.612 3.780) 4.040 3.472 ( 1.062 0.439 0.078) 1.152 3.510 ( -0.565 3.704 -3.420) 5.073 3.541 ( -0.797 0.722 0.734) 1.302 3.555 ( -1.667 0.670 0.910) 2.014 3.579 ( -0.221 1.093 -1.457) 1.835 3.626 ( 1.426 0.796 0.393) 1.680 3.665 ( 0.941 1.860 -0.100) 2.087 3.707 ( 0.683 3.582 0.028) 3.646 3.736 ( -1.437 -3.340 -0.438) 3.662 3.760 ( -1.829 -2.717 -1.905) 3.789 3.778 ( -4.228 -2.923 1.643) 5.396 3.793 ( -1.733 -5.624 0.243) 5.890 3.869 ( 0.249 -3.239 1.412) 3.542 3.888 ( -4.806 5.197 -7.198) 10.095 3.906 ( -1.645 -4.320 0.320) 4.634 3.935 ( -0.588 1.438 -0.194) 1.566 3.990 ( -2.785 1.952 -0.493) 3.436 4.045 ( -2.366 0.950 1.271) 2.849 4.088 ( -0.076 1.678 2.356) 2.893 4.099 ( 0.708 -2.459 0.606) 2.629 4.129 ( -0.179 -0.285 3.400) 3.417 4.166 ( 2.473 -1.573 0.179) 2.937 4.225 ( -0.519 -3.117 0.256) 3.170 4.249 ( 1.969 -1.653 -1.764) 3.118 4.284 ( 4.587 0.390 2.538) 5.257 4.337 ( 1.338 -0.566 1.005) 1.767 4.389 ( 0.488 4.450 -0.851) 4.557 4.429 ( 4.560 0.415 -0.787) 4.645 4.494 ( 0.885 2.158 -0.696) 2.435 4.514 ( -1.669 0.168 0.414) 1.728 4.561 ( -2.355 2.572 -1.935) 3.988 4.650 ( 2.480 0.410 -2.546) 3.578 4.655 ( -2.400 2.704 -2.453) 4.369 4.674 ( 1.024 -0.302 0.106) 1.072 4.763 ( -0.510 2.475 0.707) 2.624 4.791 ( 2.775 -1.564 -1.598) 3.564 4.817 ( 6.154 -0.089 0.685) 6.192 4.834 ( -3.134 5.952 -0.479) 6.744 4.899 ( 2.048 1.374 1.525) 2.899 4.954 ( -4.483 -0.613 -0.598) 4.564 4.957 ( 3.056 2.253 -2.472) 4.530 4.974 ( -3.036 1.601 0.942) 3.559 5.050 ( -0.136 0.907 2.213) 2.395 5.077 ( -1.951 1.185 0.557) 2.350 5.107 ( -0.422 0.859 -0.345) 1.017 5.153 ( -5.208 -0.879 0.626) 5.318 5.187 ( -1.257 0.810 0.771) 1.682 5.241 ( -3.974 -1.370 -3.675) 5.584 5.302 ( 4.029 -0.656 -2.890) 5.001 5.395 ( 4.345 -1.360 2.440) 5.166 5.443 ( 3.455 -1.368 2.549) 4.506 5.492 ( 0.582 2.509 -0.101) 2.577 5.519 ( -0.129 2.800 -2.257) 3.599 5.560 ( -0.158 0.988 -2.039) 2.271 5.595 ( 0.928 0.267 1.180) 1.525 5.638 ( -1.243 -2.973 -0.825) 3.326 5.671 ( -0.147 -0.836 0.040) 0.849 5.689 ( 0.541 -1.402 2.586) 2.991 5.718 ( -0.376 -3.463 2.782) 4.458 5.776 ( 2.747 -2.277 2.931) 4.618 5.783 ( 1.397 -2.213 -7.350) 7.802 5.862 ( -2.319 -1.129 -0.352) 2.603 5.902 ( -0.650 1.833 -1.472) 2.439 5.903 ( -5.745 2.929 4.921) 8.112 5.934 ( -2.429 0.178 2.169) 3.261 5.963 ( 0.499 0.991 3.666) 3.830 6.018 ( 0.856 0.574 -1.169) 1.559 6.037 ( -2.598 -0.332 0.014) 2.619 6.065 ( -3.111 0.309 0.546) 3.174 6.077 ( -2.477 -0.776 6.609) 7.100 6.146 ( 1.368 2.348 1.282) 3.004 6.213 ( -3.370 1.946 -0.209) 3.897 6.251 ( 2.360 -1.380 -0.440) 2.768 6.331 ( 1.176 -0.381 -0.545) 1.351 6.367 ( 3.047 0.546 0.332) 3.114 6.431 ( 1.662 -1.724 0.260) 2.409 6.581 ( -1.076 0.643 -0.043) 1.254 6.612 ( -1.581 -0.405 1.342) 2.113 6.658 ( 1.732 3.255 1.855) 4.127 6.732 ( 2.738 -2.033 -5.339) 6.336 6.766 ( 0.314 5.852 -3.727) 6.945 6.798 ( 2.770 1.557 -1.591) 3.554 6.861 ( 1.423 0.315 -0.851) 1.688 6.945 ( -3.192 0.471 0.893) 3.348 6.968 ( -1.310 -1.344 1.081) 2.166 6.983 ( -1.587 -0.225 -0.780) 1.782 7.024 ( 1.121 -1.141 -4.179) 4.474 7.102 ( -0.495 -2.375 -0.690) 2.522 7.916 ( 1.932 0.605 -0.660) 2.129 7.985 ( 0.776 -2.260 -1.117) 2.638 8.008 ( -2.521 -0.178 0.880) 2.676 8.009 ( -0.948 -0.637 1.819) 2.147 8.679 ( 1.642 0.539 9.537) 9.693 8.690 ( 4.262 0.854 1.464) 4.587 8.734 ( 1.043 0.995 -1.090) 1.807 8.771 ( 1.915 -1.228 1.497) 2.723 9.258 ( 3.846 -1.439 -0.671) 4.161 9.339 ( 16.963 -10.146 -10.530) 22.396 9.576 ( -7.937 1.596 0.819) 8.137 9.717 ( -6.961 -3.224 5.716) 9.567 9.864 ( 0.747 0.314 -0.110) 0.818 9.876 ( 0.774 0.155 0.057) 0.791 9.882 ( 1.106 -0.265 -0.895) 1.447 9.891 ( 1.086 -0.121 -0.378) 1.156 10.359 ( -0.159 0.195 0.121) 0.279 10.398 ( -0.131 1.467 -0.640) 1.606 10.441 ( 3.785 -5.467 6.636) 9.394 10.601 ( -1.532 -9.532 -6.712) 11.758 10.657 ( 1.095 0.657 3.183) 3.429 10.754 ( 1.242 -1.844 0.444) 2.267 10.845 ( 0.461 2.120 0.278) 2.187 10.986 ( 0.538 -3.714 -0.626) 3.805 11.027 ( -1.442 0.566 -0.074) 1.551 11.108 ( -1.437 -1.036 -0.674) 1.895 11.209 ( 2.248 5.030 0.833) 5.572 11.248 ( 2.962 7.051 0.942) 7.706 11.508 ( -1.356 2.388 -1.006) 2.925 11.649 ( -2.770 1.246 0.911) 3.171 11.777 ( -15.583 13.301 -0.715) 20.500 11.889 ( -4.842 1.194 -0.770) 5.046 ======================= Grid point 7 (6/45) ======================= q-point: (-0.50 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 0.000 4.515 0.000) 4.515 0.878 ( -0.000 4.788 -0.000) 4.788 0.918 ( -0.000 7.732 -0.000) 7.732 0.990 ( 0.000 5.700 0.000) 5.700 1.192 ( 0.000 1.980 -0.000) 1.980 1.323 ( 0.000 -0.916 -0.000) 0.916 1.362 ( 0.000 -5.478 -0.000) 5.478 1.419 ( -0.000 -3.160 0.000) 3.160 1.564 ( 0.000 -14.823 0.000) 14.823 1.602 ( 0.000 -0.860 -0.000) 0.860 1.662 ( -0.000 1.169 -0.000) 1.169 1.794 ( 0.000 7.971 -0.000) 7.971 1.826 ( 0.000 0.936 0.000) 0.936 1.887 ( 0.000 1.399 -0.000) 1.399 1.922 ( 0.000 -1.049 -0.000) 1.049 1.970 ( 0.000 -2.889 -0.000) 2.889 2.157 ( 0.000 8.593 0.000) 8.593 2.226 ( -0.000 4.241 -0.000) 4.241 2.273 ( 0.000 1.528 -0.000) 1.528 2.299 ( -0.000 -2.582 0.000) 2.582 2.328 ( 0.000 -7.723 -0.000) 7.723 2.348 ( 0.000 0.754 0.000) 0.754 2.369 ( -0.000 6.159 -0.000) 6.159 2.389 ( 0.000 -2.237 0.000) 2.237 2.396 ( -0.000 4.722 0.000) 4.722 2.467 ( 0.000 5.356 -0.000) 5.356 2.568 ( 0.000 3.252 0.000) 3.252 2.579 ( -0.000 -2.359 -0.000) 2.359 2.624 ( 0.000 -0.706 -0.000) 0.706 2.633 ( -0.000 -1.231 0.000) 1.231 2.703 ( 0.000 0.002 -0.000) 0.002 2.764 ( 0.000 -4.730 0.000) 4.730 2.858 ( 0.000 -0.496 -0.000) 0.496 2.949 ( 0.000 -7.345 -0.000) 7.345 2.952 ( -0.000 -1.517 0.000) 1.517 3.010 ( 0.000 -2.661 0.000) 2.661 3.035 ( 0.000 4.917 -0.000) 4.917 3.067 ( 0.000 -8.581 0.000) 8.581 3.100 ( 0.000 -0.800 0.000) 0.800 3.154 ( 0.000 -4.833 -0.000) 4.833 3.188 ( 0.000 -4.201 0.000) 4.201 3.197 ( -0.000 -0.553 -0.000) 0.553 3.256 ( 0.000 -5.255 0.000) 5.255 3.324 ( 0.000 -1.792 -0.000) 1.792 3.327 ( 0.000 -0.936 0.000) 0.936 3.408 ( -0.000 0.862 -0.000) 0.862 3.422 ( 0.000 1.880 0.000) 1.880 3.465 ( -0.000 -1.454 0.000) 1.454 3.502 ( -0.000 1.017 0.000) 1.017 3.505 ( 0.000 1.786 -0.000) 1.786 3.531 ( 0.000 0.959 0.000) 0.959 3.543 ( 0.000 -1.404 -0.000) 1.404 3.564 ( 0.000 0.842 0.000) 0.842 3.648 ( 0.000 1.460 0.000) 1.460 3.658 ( -0.000 5.243 -0.000) 5.243 3.685 ( 0.000 -0.570 -0.000) 0.570 3.704 ( 0.000 -3.472 0.000) 3.472 3.725 ( 0.000 -0.290 0.000) 0.290 3.728 ( -0.000 0.816 -0.000) 0.816 3.828 ( 0.000 -3.724 -0.000) 3.724 3.829 ( -0.000 0.631 0.000) 0.631 3.857 ( -0.000 -2.659 0.000) 2.659 3.908 ( 0.000 3.450 -0.000) 3.450 3.911 ( -0.000 -1.389 0.000) 1.389 3.980 ( -0.000 7.040 -0.000) 7.040 3.987 ( 0.000 2.757 0.000) 2.757 4.093 ( 0.000 -4.661 -0.000) 4.661 4.117 ( -0.000 -0.890 -0.000) 0.890 4.154 ( 0.000 -3.784 -0.000) 3.784 4.214 ( 0.000 -3.491 0.000) 3.491 4.219 ( 0.000 -2.487 0.000) 2.487 4.241 ( 0.000 -3.579 0.000) 3.579 4.328 ( 0.000 -2.480 -0.000) 2.480 4.333 ( 0.000 0.009 -0.000) 0.009 4.402 ( 0.000 7.136 -0.000) 7.136 4.488 ( 0.000 2.899 -0.000) 2.899 4.495 ( 0.000 1.506 0.000) 1.506 4.519 ( -0.000 0.836 -0.000) 0.836 4.542 ( 0.000 -0.831 0.000) 0.831 4.596 ( 0.000 4.096 0.000) 4.096 4.675 ( 0.000 -0.591 -0.000) 0.591 4.702 ( -0.000 4.175 0.000) 4.175 4.742 ( 0.000 3.397 0.000) 3.397 4.774 ( 0.000 3.207 -0.000) 3.207 4.840 ( 0.000 -0.915 0.000) 0.915 4.868 ( -0.000 -0.808 -0.000) 0.808 4.934 ( 0.000 -0.533 -0.000) 0.533 4.948 ( 0.000 1.837 -0.000) 1.837 4.978 ( 0.000 0.736 0.000) 0.736 4.989 ( -0.000 1.514 -0.000) 1.514 5.035 ( 0.000 2.163 -0.000) 2.163 5.054 ( -0.000 0.489 0.000) 0.489 5.092 ( 0.000 3.078 -0.000) 3.078 5.100 ( 0.000 2.114 0.000) 2.114 5.151 ( 0.000 -1.249 -0.000) 1.249 5.191 ( 0.000 -5.118 0.000) 5.118 5.380 ( 0.000 -0.204 0.000) 0.204 5.429 ( -0.000 4.309 -0.000) 4.309 5.442 ( 0.000 0.876 -0.000) 0.876 5.511 ( 0.000 -3.740 -0.000) 3.740 5.530 ( 0.000 2.732 0.000) 2.732 5.564 ( 0.000 -1.664 0.000) 1.664 5.576 ( 0.000 -3.890 -0.000) 3.890 5.646 ( 0.000 -2.605 0.000) 2.605 5.660 ( 0.000 0.409 -0.000) 0.409 5.700 ( 0.000 1.413 -0.000) 1.413 5.735 ( 0.000 -0.835 0.000) 0.835 5.760 ( 0.000 -0.836 -0.000) 0.836 5.809 ( 0.000 0.633 -0.000) 0.633 5.825 ( 0.000 -2.103 0.000) 2.103 5.856 ( 0.000 -1.680 0.000) 1.680 5.886 ( 0.000 1.747 -0.000) 1.747 5.918 ( 0.000 0.482 0.000) 0.482 5.992 ( 0.000 0.471 0.000) 0.471 6.013 ( -0.000 0.094 0.000) 0.094 6.023 ( 0.000 -0.241 -0.000) 0.241 6.040 ( 0.000 -0.066 -0.000) 0.066 6.048 ( 0.000 -0.983 0.000) 0.983 6.159 ( 0.000 1.538 -0.000) 1.538 6.174 ( 0.000 4.599 0.000) 4.599 6.272 ( 0.000 -1.296 -0.000) 1.296 6.337 ( 0.000 -1.015 -0.000) 1.015 6.410 ( 0.000 0.541 -0.000) 0.541 6.440 ( 0.000 0.776 0.000) 0.776 6.573 ( 0.000 -0.101 0.000) 0.101 6.596 ( 0.000 -0.932 -0.000) 0.932 6.694 ( 0.000 7.056 0.000) 7.056 6.703 ( -0.000 -0.325 -0.000) 0.325 6.807 ( 0.000 0.510 0.000) 0.510 6.847 ( 0.000 1.101 -0.000) 1.101 6.881 ( -0.000 0.272 0.000) 0.272 6.900 ( 0.000 0.337 -0.000) 0.337 6.946 ( 0.000 0.503 0.000) 0.503 6.954 ( 0.000 -1.234 -0.000) 1.234 7.031 ( 0.000 -2.030 0.000) 2.030 7.095 ( 0.000 -2.745 -0.000) 2.745 7.957 ( 0.000 0.142 -0.000) 0.142 7.960 ( -0.000 0.296 0.000) 0.296 7.996 ( 0.000 -1.738 0.000) 1.738 8.001 ( 0.000 -1.506 -0.000) 1.506 8.698 ( 0.000 1.508 0.000) 1.508 8.733 ( -0.000 0.639 -0.000) 0.639 8.753 ( 0.000 1.069 0.000) 1.069 8.791 ( 0.000 -0.403 -0.000) 0.403 9.341 ( 0.000 1.677 -0.000) 1.677 9.442 ( 0.000 -0.512 -0.000) 0.512 9.575 ( -0.000 -7.328 0.000) 7.328 9.578 ( 0.000 -7.167 -0.000) 7.167 9.874 ( 0.000 0.279 -0.000) 0.279 9.885 ( 0.000 0.338 -0.000) 0.338 9.889 ( 0.000 -0.458 -0.000) 0.458 9.899 ( 0.000 -0.173 -0.000) 0.173 10.358 ( 0.000 0.216 0.000) 0.216 10.395 ( 0.000 1.429 -0.000) 1.429 10.530 ( 0.000 -12.251 0.000) 12.251 10.537 ( -0.000 -7.880 -0.000) 7.880 10.676 ( 0.000 1.581 0.000) 1.581 10.769 ( 0.000 -1.741 -0.000) 1.741 10.851 ( 0.000 2.939 -0.000) 2.939 10.996 ( 0.000 -4.141 -0.000) 4.141 11.007 ( -0.000 0.558 0.000) 0.558 11.092 ( 0.000 -2.531 0.000) 2.531 11.229 ( 0.000 5.423 0.000) 5.423 11.323 ( 0.000 7.097 -0.000) 7.097 11.451 ( 0.000 16.847 0.000) 16.847 11.524 ( 0.000 6.229 0.000) 6.229 11.770 ( 0.000 -0.081 0.000) 0.081 11.796 ( -0.000 -0.706 -0.000) 0.706 ======================= Grid point 10 (7/45) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.000 -18.743 0.000) 18.743 0.805 ( 0.000 18.743 0.000) 18.743 0.882 ( 0.000 -18.300 0.000) 18.300 0.882 ( 0.000 18.300 0.000) 18.300 1.335 ( 0.000 -1.493 0.000) 1.493 1.335 ( 0.000 1.493 0.000) 1.493 1.427 ( 0.000 -1.843 0.000) 1.843 1.427 ( 0.000 1.843 0.000) 1.843 1.612 ( 0.000 -28.974 0.000) 28.974 1.612 ( 0.000 28.974 0.000) 28.974 1.721 ( 0.000 -0.943 0.000) 0.943 1.721 ( 0.000 0.943 0.000) 0.943 1.795 ( 0.000 -3.694 0.000) 3.694 1.795 ( 0.000 3.694 0.000) 3.694 1.940 ( 0.000 -8.470 0.000) 8.470 1.940 ( 0.000 8.470 0.000) 8.470 2.116 ( 0.000 -1.210 0.000) 1.210 2.116 ( 0.000 1.210 0.000) 1.210 2.243 ( 0.000 -0.859 0.000) 0.859 2.243 ( 0.000 0.859 0.000) 0.859 2.360 ( 0.000 -4.392 0.000) 4.392 2.360 ( 0.000 4.392 0.000) 4.392 2.414 ( 0.000 -5.969 0.000) 5.969 2.414 ( 0.000 5.969 0.000) 5.969 2.510 ( 0.000 -6.000 0.000) 6.000 2.510 ( 0.000 6.000 0.000) 6.000 2.554 ( 0.000 -2.266 0.000) 2.266 2.554 ( 0.000 2.266 0.000) 2.266 2.674 ( 0.000 -3.463 0.000) 3.463 2.674 ( 0.000 3.463 0.000) 3.463 2.737 ( 0.000 -8.647 0.000) 8.647 2.737 ( 0.000 8.647 0.000) 8.647 2.907 ( 0.000 -8.090 0.000) 8.090 2.907 ( 0.000 8.090 0.000) 8.090 2.997 ( 0.000 -2.873 0.000) 2.873 2.997 ( 0.000 2.873 0.000) 2.873 3.048 ( 0.000 -2.918 0.000) 2.918 3.048 ( 0.000 2.918 0.000) 2.918 3.081 ( 0.000 -2.432 0.000) 2.432 3.081 ( 0.000 2.432 0.000) 2.432 3.207 ( 0.000 -4.322 0.000) 4.322 3.207 ( 0.000 4.322 0.000) 4.322 3.266 ( 0.000 -2.653 0.000) 2.653 3.266 ( 0.000 2.653 0.000) 2.653 3.270 ( 0.000 -1.395 0.000) 1.395 3.270 ( 0.000 1.395 0.000) 1.395 3.399 ( 0.000 -3.035 0.000) 3.035 3.399 ( 0.000 3.035 0.000) 3.035 3.527 ( 0.000 -1.519 0.000) 1.519 3.527 ( 0.000 1.519 0.000) 1.519 3.572 ( 0.000 -1.029 0.000) 1.029 3.572 ( 0.000 1.029 0.000) 1.029 3.626 ( 0.000 -0.751 0.000) 0.751 3.626 ( 0.000 0.751 0.000) 0.751 3.648 ( 0.000 -2.479 0.000) 2.479 3.648 ( 0.000 2.479 0.000) 2.479 3.747 ( 0.000 -0.018 0.000) 0.018 3.747 ( 0.000 0.018 0.000) 0.018 3.777 ( 0.000 -0.548 0.000) 0.548 3.777 ( 0.000 0.548 0.000) 0.548 3.836 ( 0.000 -3.908 0.000) 3.908 3.836 ( 0.000 3.908 0.000) 3.908 3.962 ( 0.000 -2.066 0.000) 2.066 3.962 ( 0.000 2.066 0.000) 2.066 4.064 ( 0.000 -2.565 0.000) 2.565 4.064 ( 0.000 2.565 0.000) 2.565 4.084 ( 0.000 -0.455 0.000) 0.455 4.084 ( 0.000 0.455 0.000) 0.455 4.147 ( 0.000 -0.503 0.000) 0.503 4.147 ( 0.000 0.503 0.000) 0.503 4.229 ( 0.000 -1.031 0.000) 1.031 4.229 ( 0.000 1.031 0.000) 1.031 4.249 ( 0.000 -1.895 0.000) 1.895 4.249 ( 0.000 1.895 0.000) 1.895 4.403 ( 0.000 -0.451 0.000) 0.451 4.403 ( 0.000 0.451 0.000) 0.451 4.549 ( 0.000 -0.766 0.000) 0.766 4.549 ( 0.000 0.766 0.000) 0.766 4.621 ( 0.000 -3.552 0.000) 3.552 4.621 ( 0.000 3.552 0.000) 3.552 4.674 ( 0.000 -1.804 0.000) 1.804 4.674 ( 0.000 1.804 0.000) 1.804 4.751 ( 0.000 -1.883 0.000) 1.883 4.751 ( 0.000 1.883 0.000) 1.883 4.826 ( 0.000 -0.615 0.000) 0.615 4.826 ( 0.000 0.615 0.000) 0.615 4.895 ( 0.000 -0.469 0.000) 0.469 4.895 ( 0.000 0.469 0.000) 0.469 5.025 ( 0.000 -1.573 0.000) 1.573 5.025 ( 0.000 1.573 0.000) 1.573 5.098 ( 0.000 -4.930 0.000) 4.930 5.098 ( 0.000 4.930 0.000) 4.930 5.177 ( 0.000 -2.164 0.000) 2.164 5.177 ( 0.000 2.164 0.000) 2.164 5.228 ( 0.000 -0.885 0.000) 0.885 5.228 ( 0.000 0.885 0.000) 0.885 5.260 ( 0.000 -2.011 0.000) 2.011 5.260 ( 0.000 2.011 0.000) 2.011 5.543 ( 0.000 -5.418 0.000) 5.418 5.543 ( 0.000 5.418 0.000) 5.418 5.551 ( 0.000 -3.241 0.000) 3.241 5.551 ( 0.000 3.241 0.000) 3.241 5.584 ( 0.000 -3.963 0.000) 3.963 5.584 ( 0.000 3.963 0.000) 3.963 5.649 ( 0.000 -1.227 0.000) 1.227 5.649 ( 0.000 1.227 0.000) 1.227 5.679 ( 0.000 -2.499 0.000) 2.499 5.679 ( 0.000 2.499 0.000) 2.499 5.849 ( 0.000 -3.092 0.000) 3.092 5.849 ( 0.000 3.092 0.000) 3.092 5.933 ( 0.000 -0.895 0.000) 0.895 5.933 ( 0.000 0.895 0.000) 0.895 5.965 ( 0.000 -0.971 0.000) 0.971 5.965 ( 0.000 0.971 0.000) 0.971 6.060 ( 0.000 -0.501 0.000) 0.501 6.060 ( 0.000 0.501 0.000) 0.501 6.110 ( 0.000 -1.583 0.000) 1.583 6.110 ( 0.000 1.583 0.000) 1.583 6.146 ( 0.000 -1.682 0.000) 1.682 6.146 ( 0.000 1.682 0.000) 1.682 6.313 ( 0.000 -2.299 0.000) 2.299 6.313 ( 0.000 2.299 0.000) 2.299 6.348 ( 0.000 -1.895 0.000) 1.895 6.348 ( 0.000 1.895 0.000) 1.895 6.622 ( 0.000 -1.131 0.000) 1.131 6.622 ( 0.000 1.131 0.000) 1.131 6.666 ( 0.000 -1.491 0.000) 1.491 6.666 ( 0.000 1.491 0.000) 1.491 6.787 ( 0.000 -1.243 0.000) 1.243 6.787 ( 0.000 1.243 0.000) 1.243 6.929 ( 0.000 -2.039 0.000) 2.039 6.929 ( 0.000 2.039 0.000) 2.039 6.987 ( 0.000 -0.769 0.000) 0.769 6.987 ( 0.000 0.769 0.000) 0.769 7.059 ( 0.000 -2.454 0.000) 2.454 7.059 ( 0.000 2.454 0.000) 2.454 7.926 ( 0.000 -2.122 0.000) 2.122 7.926 ( 0.000 2.122 0.000) 2.122 8.028 ( 0.000 -0.263 0.000) 0.263 8.028 ( 0.000 0.263 0.000) 0.263 8.627 ( 0.000 -1.465 0.000) 1.465 8.627 ( 0.000 1.465 0.000) 1.465 8.742 ( 0.000 -0.357 0.000) 0.357 8.742 ( 0.000 0.357 0.000) 0.357 9.170 ( 0.000 -2.155 0.000) 2.155 9.170 ( 0.000 2.155 0.000) 2.155 9.723 ( 0.000 -3.517 0.000) 3.517 9.723 ( 0.000 3.517 0.000) 3.517 9.863 ( 0.000 -0.011 0.000) 0.011 9.863 ( 0.000 0.011 0.000) 0.011 9.867 ( 0.000 -0.491 0.000) 0.491 9.867 ( 0.000 0.491 0.000) 0.491 10.375 ( 0.000 -0.764 0.000) 0.764 10.375 ( 0.000 0.764 0.000) 0.764 10.461 ( 0.000 -5.101 0.000) 5.101 10.461 ( 0.000 5.101 0.000) 5.101 10.688 ( 0.000 -2.793 0.000) 2.793 10.688 ( 0.000 2.793 0.000) 2.793 10.894 ( 0.000 -3.802 0.000) 3.802 10.894 ( 0.000 3.802 0.000) 3.802 11.100 ( 0.000 -2.993 0.000) 2.993 11.100 ( 0.000 2.993 0.000) 2.993 11.249 ( 0.000 -2.026 0.000) 2.026 11.249 ( 0.000 2.026 0.000) 2.026 11.581 ( 0.000 -3.494 0.000) 3.494 11.581 ( 0.000 3.494 0.000) 3.494 12.009 ( 0.000 -3.717 0.000) 3.717 12.009 ( 0.000 3.717 0.000) 3.717 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.25 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 5.319 -9.150 -3.083) 11.023 0.864 ( 5.319 9.150 -3.083) 11.023 0.944 ( 5.801 -8.555 4.828) 11.408 0.944 ( 5.801 8.555 4.828) 11.408 1.305 ( -3.694 -3.025 -0.818) 4.844 1.305 ( -3.694 3.025 -0.818) 4.844 1.381 ( -3.857 -3.836 -3.362) 6.395 1.381 ( -3.857 3.836 -3.362) 6.395 1.539 ( -6.464 -8.857 -1.933) 11.134 1.539 ( -6.464 8.857 -1.933) 11.134 1.778 ( 5.845 -19.102 3.050) 20.208 1.778 ( 5.845 19.102 3.050) 20.208 1.795 ( 3.205 -2.983 1.923) 4.782 1.795 ( 3.205 2.983 1.923) 4.782 1.991 ( 1.875 -5.712 -0.465) 6.030 1.991 ( 1.875 5.712 -0.465) 6.030 2.138 ( 0.753 -3.502 0.083) 3.583 2.138 ( 0.753 3.502 0.083) 3.583 2.238 ( -0.029 -4.071 1.989) 4.531 2.238 ( -0.029 4.071 1.989) 4.531 2.344 ( -2.465 -3.125 -0.291) 3.991 2.344 ( -2.465 3.125 -0.291) 3.991 2.421 ( 0.135 -0.949 -0.099) 0.963 2.421 ( 0.135 0.949 -0.099) 0.963 2.512 ( 1.407 -6.835 1.444) 7.127 2.512 ( 1.407 6.835 1.444) 7.127 2.580 ( -0.067 -2.763 -0.546) 2.817 2.580 ( -0.067 2.763 -0.546) 2.817 2.657 ( 0.926 -4.358 1.422) 4.676 2.657 ( 0.926 4.358 1.422) 4.676 2.733 ( -0.464 -9.096 -1.855) 9.295 2.733 ( -0.464 9.096 -1.855) 9.295 2.851 ( -4.094 -3.684 -2.531) 6.061 2.851 ( -4.094 3.684 -2.531) 6.061 2.946 ( -2.625 -3.362 -0.514) 4.297 2.946 ( -2.625 3.362 -0.514) 4.297 3.061 ( -0.713 -2.355 -0.183) 2.467 3.061 ( -0.713 2.355 -0.183) 2.467 3.095 ( 0.927 -2.683 -0.757) 2.938 3.095 ( 0.927 2.683 -0.757) 2.938 3.167 ( -3.846 -5.396 0.768) 6.671 3.167 ( -3.846 5.396 0.768) 6.671 3.273 ( 2.118 -3.436 -0.280) 4.046 3.273 ( 2.118 3.436 -0.280) 4.046 3.307 ( 1.675 -3.797 0.500) 4.179 3.307 ( 1.675 3.797 0.500) 4.179 3.418 ( 1.687 -2.444 1.820) 3.483 3.418 ( 1.687 2.444 1.820) 3.483 3.514 ( -0.148 -2.961 1.732) 3.434 3.514 ( -0.148 2.961 1.732) 3.434 3.579 ( -0.725 -2.095 -0.232) 2.229 3.579 ( -0.725 2.095 -0.232) 2.229 3.619 ( 1.261 -4.903 -5.109) 7.192 3.619 ( 1.261 4.903 -5.109) 7.192 3.672 ( -1.068 -1.917 -0.508) 2.252 3.672 ( -1.068 1.917 -0.508) 2.252 3.719 ( 0.534 -2.846 0.501) 2.938 3.719 ( 0.534 2.846 0.501) 2.938 3.783 ( -1.265 -3.200 3.308) 4.773 3.783 ( -1.265 3.200 3.308) 4.773 3.815 ( -1.341 -3.167 2.797) 4.433 3.815 ( -1.341 3.167 2.797) 4.433 3.981 ( 0.791 -3.271 0.314) 3.380 3.981 ( 0.791 3.271 0.314) 3.380 4.021 ( -4.088 -3.730 -2.057) 5.904 4.021 ( -4.088 3.730 -2.057) 5.904 4.064 ( 1.584 -4.373 -0.928) 4.743 4.064 ( 1.584 4.373 -0.928) 4.743 4.162 ( 0.200 -1.905 0.523) 1.986 4.162 ( 0.200 1.905 0.523) 1.986 4.192 ( -2.078 -2.776 0.341) 3.484 4.192 ( -2.078 2.776 0.341) 3.484 4.302 ( 2.162 -1.741 -1.112) 2.990 4.302 ( 2.162 1.741 -1.112) 2.990 4.440 ( 3.397 -0.187 0.266) 3.413 4.440 ( 3.397 0.187 0.266) 3.413 4.537 ( -0.481 -2.041 1.990) 2.891 4.537 ( -0.481 2.041 1.990) 2.891 4.602 ( -1.156 -4.636 -4.300) 6.428 4.602 ( -1.156 4.636 -4.300) 6.428 4.672 ( -0.909 -0.297 -0.072) 0.959 4.672 ( -0.909 0.297 -0.072) 0.959 4.798 ( 3.367 -1.889 2.860) 4.805 4.798 ( 3.367 1.889 2.860) 4.805 4.840 ( 1.821 -3.533 -1.940) 4.423 4.840 ( 1.821 3.533 -1.940) 4.423 4.924 ( 3.890 -3.266 -2.029) 5.470 4.924 ( 3.890 3.266 -2.029) 5.470 5.011 ( -4.114 -2.018 5.370) 7.059 5.011 ( -4.114 2.018 5.370) 7.059 5.079 ( 0.742 -2.258 -1.816) 2.991 5.079 ( 0.742 2.258 -1.816) 2.991 5.145 ( -3.761 -2.694 1.482) 4.858 5.145 ( -3.761 2.694 1.482) 4.858 5.187 ( -2.757 -2.963 -4.448) 6.014 5.187 ( -2.757 2.963 -4.448) 6.014 5.324 ( 6.146 -2.674 0.404) 6.714 5.324 ( 6.146 2.674 0.404) 6.714 5.498 ( -2.453 -3.198 1.640) 4.351 5.498 ( -2.453 3.198 1.640) 4.351 5.560 ( -0.692 -2.104 -1.416) 2.629 5.560 ( -0.692 2.104 -1.416) 2.629 5.606 ( 0.852 -2.894 -1.438) 3.343 5.606 ( 0.852 2.894 -1.438) 3.343 5.648 ( 0.679 -0.735 -1.488) 1.793 5.648 ( 0.679 0.735 -1.488) 1.793 5.704 ( 2.066 -1.974 4.274) 5.141 5.704 ( 2.066 1.974 4.274) 5.141 5.821 ( -2.660 -2.672 -1.874) 4.211 5.821 ( -2.660 2.672 -1.874) 4.211 5.927 ( -1.105 -0.727 1.753) 2.196 5.927 ( -1.105 0.727 1.753) 2.196 5.959 ( -0.619 -1.739 0.083) 1.848 5.959 ( -0.619 1.739 0.083) 1.848 6.036 ( -1.607 -1.167 2.846) 3.471 6.036 ( -1.607 1.167 2.846) 3.471 6.056 ( -3.239 -0.315 0.927) 3.384 6.056 ( -3.239 0.315 0.927) 3.384 6.195 ( 2.326 -2.768 -0.240) 3.623 6.195 ( 2.326 2.768 -0.240) 3.623 6.293 ( -0.916 -3.804 0.345) 3.928 6.293 ( -0.916 3.804 0.345) 3.928 6.396 ( 3.276 -1.586 0.392) 3.661 6.396 ( 3.276 1.586 0.392) 3.661 6.597 ( -1.652 -0.984 -0.693) 2.044 6.597 ( -1.652 0.984 -0.693) 2.044 6.695 ( 2.240 -1.529 -1.140) 2.942 6.695 ( 2.240 1.529 -1.140) 2.942 6.821 ( 3.388 -0.909 -1.714) 3.904 6.821 ( 3.388 0.909 -1.714) 3.904 6.914 ( -1.160 -3.609 -1.033) 3.929 6.914 ( -1.160 3.609 -1.033) 3.929 6.969 ( -2.102 -1.243 1.650) 2.947 6.969 ( -2.102 1.243 1.650) 2.947 7.043 ( -1.119 -2.679 -1.198) 3.141 7.043 ( -1.119 2.679 -1.198) 3.141 7.940 ( 1.489 -1.778 -0.951) 2.506 7.940 ( 1.489 1.778 -0.951) 2.506 8.005 ( -2.085 -0.079 1.302) 2.459 8.005 ( -2.085 0.079 1.302) 2.459 8.697 ( 3.736 -0.530 4.616) 5.962 8.697 ( 3.736 0.530 4.616) 5.962 8.752 ( 1.572 -0.787 -1.742) 2.475 8.752 ( 1.572 0.787 -1.742) 2.475 9.244 ( 8.547 -0.879 -3.209) 9.171 9.244 ( 8.547 0.879 -3.209) 9.171 9.636 ( -8.714 -3.956 2.954) 10.015 9.636 ( -8.714 3.956 2.954) 10.015 9.872 ( 0.721 -0.369 -0.310) 0.868 9.872 ( 0.721 0.369 -0.310) 0.868 9.885 ( 1.098 -0.350 -0.374) 1.212 9.885 ( 1.098 0.350 -0.374) 1.212 10.379 ( 0.171 -1.808 1.136) 2.142 10.379 ( 0.171 1.808 1.136) 2.142 10.450 ( -0.671 -4.114 -1.599) 4.464 10.450 ( -0.671 4.114 -1.599) 4.464 10.706 ( 1.463 -2.631 0.644) 3.079 10.706 ( 1.463 2.631 0.644) 3.079 10.904 ( 1.030 -3.588 0.007) 3.733 10.904 ( 1.030 3.588 0.007) 3.733 11.068 ( -2.506 -2.562 -0.740) 3.659 11.068 ( -2.506 2.562 -0.740) 3.659 11.288 ( 2.969 -2.114 1.067) 3.798 11.288 ( 2.969 2.114 1.067) 3.798 11.594 ( 1.601 -4.502 0.046) 4.778 11.594 ( 1.601 4.502 0.046) 4.778 11.902 ( -9.366 -0.925 -1.244) 9.494 11.902 ( -9.366 0.925 -1.244) 9.494 ======================= Grid point 14 (9/45) ======================= q-point: (-0.50 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 23 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( 0.000 -3.207 0.000) 3.207 0.920 ( 0.000 3.207 0.000) 3.207 1.057 ( -0.000 -3.262 0.000) 3.262 1.057 ( 0.000 3.262 -0.000) 3.262 1.217 ( -0.000 -1.967 -0.000) 1.967 1.217 ( 0.000 1.967 0.000) 1.967 1.329 ( 0.000 -5.352 0.000) 5.352 1.329 ( 0.000 5.352 -0.000) 5.352 1.470 ( 0.000 -5.016 0.000) 5.016 1.470 ( 0.000 5.016 -0.000) 5.016 1.813 ( 0.000 -4.756 -0.000) 4.756 1.813 ( 0.000 4.756 -0.000) 4.756 1.948 ( 0.000 -0.062 0.000) 0.062 1.948 ( -0.000 0.062 -0.000) 0.062 1.968 ( 0.000 -8.858 0.000) 8.858 1.968 ( -0.000 8.858 -0.000) 8.858 2.105 ( 0.000 -4.309 0.000) 4.309 2.105 ( 0.000 4.309 0.000) 4.309 2.267 ( -0.000 -1.272 0.000) 1.272 2.267 ( 0.000 1.272 -0.000) 1.272 2.301 ( -0.000 -4.223 -0.000) 4.223 2.301 ( 0.000 4.223 0.000) 4.223 2.411 ( 0.000 -1.517 0.000) 1.517 2.411 ( 0.000 1.517 -0.000) 1.517 2.540 ( 0.000 -1.574 -0.000) 1.574 2.540 ( 0.000 1.574 -0.000) 1.574 2.578 ( 0.000 -8.338 0.000) 8.338 2.578 ( 0.000 8.338 -0.000) 8.338 2.695 ( 0.000 -3.210 -0.000) 3.210 2.695 ( 0.000 3.210 0.000) 3.210 2.721 ( 0.000 -9.416 -0.000) 9.416 2.721 ( 0.000 9.416 0.000) 9.416 2.769 ( -0.000 -6.759 -0.000) 6.759 2.769 ( 0.000 6.759 -0.000) 6.759 2.946 ( 0.000 -1.659 0.000) 1.659 2.946 ( 0.000 1.659 -0.000) 1.659 3.029 ( 0.000 -6.293 -0.000) 6.293 3.029 ( 0.000 6.293 0.000) 6.293 3.099 ( 0.000 -0.998 -0.000) 0.998 3.099 ( 0.000 0.998 0.000) 0.998 3.135 ( 0.000 -2.772 -0.000) 2.772 3.135 ( 0.000 2.772 -0.000) 2.772 3.294 ( 0.000 -2.825 -0.000) 2.825 3.294 ( 0.000 2.825 0.000) 2.825 3.326 ( 0.000 -4.933 -0.000) 4.933 3.326 ( 0.000 4.933 0.000) 4.933 3.454 ( 0.000 -0.747 0.000) 0.747 3.454 ( 0.000 0.747 -0.000) 0.747 3.508 ( 0.000 -1.503 -0.000) 1.503 3.508 ( 0.000 1.503 0.000) 1.503 3.562 ( 0.000 -0.171 0.000) 0.171 3.562 ( 0.000 0.171 0.000) 0.171 3.621 ( 0.000 -3.546 -0.000) 3.546 3.621 ( 0.000 3.546 -0.000) 3.546 3.675 ( 0.000 -2.498 -0.000) 2.498 3.675 ( 0.000 2.498 -0.000) 2.498 3.710 ( -0.000 -2.561 0.000) 2.561 3.710 ( -0.000 2.561 0.000) 2.561 3.764 ( 0.000 -1.733 -0.000) 1.733 3.764 ( 0.000 1.733 -0.000) 1.733 3.822 ( 0.000 -5.141 -0.000) 5.141 3.822 ( 0.000 5.141 -0.000) 5.141 3.964 ( 0.000 -3.084 0.000) 3.084 3.964 ( 0.000 3.084 -0.000) 3.084 4.003 ( 0.000 -0.819 0.000) 0.819 4.003 ( 0.000 0.819 -0.000) 0.819 4.101 ( 0.000 -3.149 -0.000) 3.149 4.101 ( 0.000 3.149 0.000) 3.149 4.133 ( 0.000 -3.185 0.000) 3.185 4.133 ( 0.000 3.185 0.000) 3.185 4.183 ( 0.000 -2.142 -0.000) 2.142 4.183 ( 0.000 2.142 0.000) 2.142 4.304 ( 0.000 -0.805 0.000) 0.805 4.304 ( 0.000 0.805 -0.000) 0.805 4.502 ( 0.000 -1.492 0.000) 1.492 4.502 ( 0.000 1.492 -0.000) 1.492 4.545 ( 0.000 -2.984 0.000) 2.984 4.545 ( 0.000 2.984 0.000) 2.984 4.556 ( 0.000 -1.834 -0.000) 1.834 4.556 ( 0.000 1.834 -0.000) 1.834 4.676 ( 0.000 -2.628 0.000) 2.628 4.676 ( 0.000 2.628 -0.000) 2.628 4.807 ( 0.000 -1.131 0.000) 1.131 4.807 ( 0.000 1.131 -0.000) 1.131 4.881 ( 0.000 -1.924 -0.000) 1.924 4.881 ( 0.000 1.924 0.000) 1.924 4.950 ( 0.000 -3.064 0.000) 3.064 4.950 ( 0.000 3.064 -0.000) 3.064 5.014 ( 0.000 -1.737 0.000) 1.737 5.014 ( 0.000 1.737 -0.000) 1.737 5.075 ( 0.000 -0.514 0.000) 0.514 5.075 ( 0.000 0.514 0.000) 0.514 5.085 ( 0.000 -2.971 0.000) 2.971 5.085 ( -0.000 2.971 -0.000) 2.971 5.157 ( -0.000 -1.606 0.000) 1.606 5.157 ( 0.000 1.606 -0.000) 1.606 5.412 ( -0.000 -2.907 0.000) 2.907 5.412 ( 0.000 2.907 -0.000) 2.907 5.484 ( 0.000 -1.152 -0.000) 1.152 5.484 ( 0.000 1.152 0.000) 1.152 5.509 ( -0.000 -1.860 -0.000) 1.860 5.509 ( 0.000 1.860 -0.000) 1.860 5.637 ( 0.000 -4.025 -0.000) 4.025 5.637 ( -0.000 4.025 -0.000) 4.025 5.641 ( 0.000 -3.606 0.000) 3.606 5.641 ( 0.000 3.606 0.000) 3.606 5.747 ( 0.000 -0.216 -0.000) 0.216 5.747 ( 0.000 0.216 0.000) 0.216 5.773 ( 0.000 -2.205 -0.000) 2.205 5.773 ( 0.000 2.205 -0.000) 2.205 5.913 ( 0.000 -0.391 0.000) 0.391 5.913 ( 0.000 0.391 -0.000) 0.391 5.951 ( 0.000 -4.265 -0.000) 4.265 5.951 ( 0.000 4.265 0.000) 4.265 6.024 ( -0.000 -0.613 0.000) 0.613 6.024 ( 0.000 0.613 0.000) 0.613 6.030 ( 0.000 -0.516 -0.000) 0.516 6.030 ( 0.000 0.516 -0.000) 0.516 6.212 ( 0.000 -3.453 -0.000) 3.453 6.212 ( 0.000 3.453 -0.000) 3.453 6.288 ( 0.000 -4.574 0.000) 4.574 6.288 ( 0.000 4.574 0.000) 4.574 6.434 ( 0.000 -1.235 -0.000) 1.235 6.434 ( 0.000 1.236 0.000) 1.236 6.576 ( 0.000 -0.742 -0.000) 0.742 6.576 ( 0.000 0.742 0.000) 0.742 6.717 ( 0.000 -1.611 -0.000) 1.611 6.717 ( 0.000 1.611 0.000) 1.611 6.867 ( 0.000 -1.267 -0.000) 1.267 6.867 ( 0.000 1.267 -0.000) 1.267 6.897 ( 0.000 -3.769 -0.000) 3.769 6.897 ( 0.000 3.769 0.000) 3.769 6.938 ( 0.000 -1.403 -0.000) 1.403 6.938 ( 0.000 1.403 0.000) 1.403 7.028 ( 0.000 -2.569 -0.000) 2.569 7.028 ( 0.000 2.569 -0.000) 2.569 7.965 ( 0.000 -0.575 -0.000) 0.575 7.965 ( 0.000 0.575 -0.000) 0.575 7.975 ( -0.000 -0.678 0.000) 0.678 7.975 ( 0.000 0.678 0.000) 0.678 8.730 ( 0.000 -1.108 0.000) 1.108 8.730 ( 0.000 1.108 -0.000) 1.108 8.777 ( 0.000 -1.021 0.000) 1.021 8.777 ( 0.000 1.021 -0.000) 1.021 9.413 ( -0.000 -4.658 0.000) 4.658 9.413 ( -0.000 4.658 0.000) 4.658 9.473 ( 0.000 -1.288 -0.000) 1.288 9.473 ( 0.000 1.288 -0.000) 1.288 9.881 ( 0.000 -0.346 0.000) 0.346 9.881 ( 0.000 0.346 -0.000) 0.346 9.893 ( 0.000 -0.379 -0.000) 0.379 9.893 ( 0.000 0.379 -0.000) 0.379 10.383 ( 0.000 -2.945 -0.000) 2.945 10.383 ( 0.000 2.945 -0.000) 2.945 10.439 ( 0.000 -2.706 0.000) 2.706 10.439 ( 0.000 2.706 0.000) 2.706 10.724 ( 0.000 -2.453 0.000) 2.453 10.724 ( 0.000 2.453 0.000) 2.453 10.920 ( 0.000 -3.430 0.000) 3.430 10.920 ( 0.000 3.430 0.000) 3.430 11.035 ( 0.000 -2.331 0.000) 2.331 11.035 ( 0.000 2.331 -0.000) 2.331 11.325 ( 0.000 -3.430 0.000) 3.430 11.325 ( 0.000 3.430 0.000) 3.430 11.631 ( 0.000 -0.225 0.000) 0.225 11.631 ( 0.000 0.225 0.000) 0.225 11.772 ( 0.000 -0.985 -0.000) 0.985 11.772 ( -0.000 0.985 -0.000) 0.985 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 1.631 0.000 21.941) 22.001 0.444 ( -5.490 0.000 23.728) 24.355 0.893 ( 4.229 0.000 45.476) 45.673 1.125 ( 1.694 0.000 5.941) 6.178 1.323 ( -4.834 0.000 4.585) 6.662 1.433 ( -6.795 0.000 8.239) 10.680 1.506 ( 5.280 0.000 1.832) 5.588 1.617 ( 0.607 0.000 4.814) 4.852 1.674 ( -2.697 0.000 1.776) 3.229 1.689 ( -2.855 0.000 2.221) 3.617 1.759 ( -2.762 0.000 -0.004) 2.762 1.815 ( 1.246 0.000 -0.381) 1.303 1.904 ( 7.736 0.000 0.709) 7.768 1.912 ( -1.720 0.000 -3.097) 3.542 1.932 ( 1.429 0.000 1.559) 2.115 2.024 ( 1.579 0.000 4.316) 4.596 2.088 ( -0.221 0.000 -3.116) 3.124 2.116 ( 1.482 0.000 -1.682) 2.242 2.162 ( -1.797 0.000 -5.227) 5.527 2.261 ( -4.020 0.000 4.125) 5.760 2.262 ( -5.519 0.000 -4.593) 7.180 2.290 ( 3.654 0.000 0.445) 3.681 2.382 ( -1.477 0.000 -0.912) 1.736 2.389 ( -2.537 0.000 -6.058) 6.568 2.430 ( -0.345 0.000 -6.266) 6.276 2.522 ( -1.299 0.000 -1.807) 2.225 2.545 ( 4.128 0.000 0.774) 4.200 2.599 ( -2.466 0.000 2.104) 3.242 2.692 ( 2.159 0.000 3.013) 3.707 2.698 ( 2.776 0.000 2.577) 3.788 2.796 ( 3.686 0.000 3.311) 4.954 2.822 ( -3.774 0.000 -2.122) 4.329 2.868 ( 3.203 0.000 -1.846) 3.697 2.875 ( -5.625 0.000 -2.707) 6.243 2.966 ( 2.292 0.000 -3.324) 4.037 2.973 ( 0.001 0.000 1.437) 1.437 3.007 ( 5.228 0.000 -2.181) 5.665 3.021 ( 3.088 0.000 -1.188) 3.309 3.080 ( 4.670 0.000 4.858) 6.739 3.148 ( -0.924 0.000 -0.369) 0.995 3.158 ( 5.633 0.000 0.753) 5.683 3.210 ( -1.178 0.000 -2.338) 2.618 3.267 ( 3.666 0.000 -6.867) 7.784 3.281 ( 1.856 0.000 2.046) 2.762 3.323 ( 1.409 0.000 -3.059) 3.368 3.347 ( -0.024 0.000 2.401) 2.401 3.390 ( -1.427 0.000 1.937) 2.406 3.424 ( -3.019 0.000 -0.082) 3.020 3.467 ( 0.237 0.000 -0.132) 0.272 3.541 ( -4.771 0.000 -2.122) 5.222 3.550 ( 3.027 0.000 2.575) 3.974 3.560 ( 6.835 0.000 0.613) 6.862 3.579 ( 1.115 0.000 4.490) 4.626 3.589 ( -2.459 0.000 2.519) 3.520 3.657 ( -5.539 0.000 -3.722) 6.674 3.718 ( 1.049 0.000 5.647) 5.744 3.727 ( -3.279 0.000 -7.117) 7.836 3.769 ( 1.031 0.000 1.549) 1.861 3.789 ( -0.712 0.000 -6.366) 6.406 3.861 ( -6.153 0.000 -4.429) 7.581 3.881 ( -0.265 0.000 -1.029) 1.062 3.910 ( 5.267 0.000 -3.931) 6.572 3.920 ( 2.373 0.000 -0.331) 2.396 3.994 ( -5.796 0.000 -3.221) 6.631 4.044 ( -0.505 0.000 -0.829) 0.971 4.051 ( 4.404 0.000 3.120) 5.398 4.065 ( 3.025 0.000 1.113) 3.223 4.074 ( 2.085 0.000 2.768) 3.466 4.117 ( 1.524 0.000 0.696) 1.676 4.202 ( 2.734 0.000 4.124) 4.948 4.238 ( -2.696 0.000 3.258) 4.229 4.265 ( 5.156 0.000 1.796) 5.460 4.312 ( -1.868 0.000 1.864) 2.639 4.312 ( 3.694 0.000 2.889) 4.689 4.362 ( -1.841 0.000 -0.809) 2.010 4.382 ( 2.678 0.000 1.905) 3.286 4.408 ( -2.845 0.000 -2.358) 3.696 4.547 ( -1.718 0.000 3.772) 4.144 4.577 ( -4.684 0.000 4.751) 6.672 4.606 ( -1.126 0.000 1.333) 1.745 4.631 ( -8.134 0.000 7.164) 10.839 4.646 ( 1.483 0.000 -4.541) 4.777 4.710 ( -3.041 0.000 -4.453) 5.393 4.730 ( 8.160 0.000 -0.164) 8.162 4.738 ( 2.338 0.000 -3.278) 4.026 4.837 ( -3.739 0.000 1.251) 3.942 4.862 ( 1.135 0.000 0.336) 1.184 4.931 ( -3.344 0.000 -1.007) 3.492 4.948 ( -0.367 0.000 -5.304) 5.316 5.000 ( -0.953 0.000 0.437) 1.048 5.014 ( 1.973 0.000 1.037) 2.229 5.089 ( 3.392 0.000 2.831) 4.418 5.097 ( -1.373 0.000 3.585) 3.839 5.181 ( -4.891 0.000 0.341) 4.903 5.230 ( 5.459 0.000 -6.373) 8.391 5.233 ( -6.580 0.000 2.350) 6.987 5.288 ( 7.260 0.000 3.134) 7.908 5.309 ( -1.546 0.000 -2.601) 3.026 5.349 ( 2.610 0.000 -2.715) 3.766 5.378 ( 0.416 0.000 -0.724) 0.836 5.502 ( 6.521 0.000 -0.495) 6.540 5.544 ( -1.857 0.000 2.116) 2.815 5.586 ( 2.161 0.000 0.258) 2.177 5.668 ( -1.556 0.000 -6.689) 6.867 5.701 ( -1.869 0.000 -0.601) 1.964 5.722 ( -5.352 0.000 -0.329) 5.362 5.779 ( 0.774 0.000 2.559) 2.674 5.784 ( 1.733 0.000 1.959) 2.615 5.812 ( 0.622 0.000 -5.197) 5.234 5.847 ( 2.867 0.000 -0.663) 2.942 5.884 ( -0.262 0.000 0.299) 0.398 5.897 ( -0.833 0.000 -5.424) 5.488 5.940 ( -1.068 0.000 0.703) 1.279 5.964 ( 7.798 0.000 1.090) 7.874 5.998 ( 2.431 0.000 -0.904) 2.594 6.024 ( 1.336 0.000 -1.703) 2.165 6.083 ( 0.825 0.000 2.827) 2.945 6.140 ( 1.236 0.000 2.601) 2.880 6.153 ( -1.624 0.000 3.361) 3.733 6.183 ( 0.004 0.000 -2.327) 2.327 6.190 ( 5.257 0.000 -2.074) 5.651 6.306 ( 0.978 0.000 -4.344) 4.452 6.355 ( 0.081 0.000 1.156) 1.159 6.425 ( -0.791 0.000 0.685) 1.046 6.489 ( -0.452 0.000 2.683) 2.721 6.500 ( 1.161 0.000 -7.464) 7.554 6.670 ( 1.701 0.000 0.819) 1.888 6.686 ( -2.014 0.000 0.482) 2.071 6.742 ( -2.445 0.000 0.431) 2.483 6.831 ( -1.124 0.000 -0.062) 1.126 6.836 ( -2.265 0.000 -2.056) 3.058 6.934 ( -0.654 0.000 -3.652) 3.710 6.975 ( 0.484 0.000 -1.324) 1.410 7.011 ( 0.536 0.000 -0.149) 0.556 7.057 ( -2.831 0.000 0.367) 2.855 7.196 ( -7.704 0.000 -2.774) 8.188 7.888 ( -0.562 0.000 -0.118) 0.575 7.951 ( -0.537 0.000 -4.711) 4.742 8.036 ( 0.684 0.000 0.275) 0.737 8.038 ( -1.100 0.000 1.395) 1.777 8.662 ( -0.028 0.000 2.951) 2.951 8.759 ( -1.001 0.000 4.724) 4.829 8.811 ( -2.505 0.000 5.593) 6.128 8.915 ( 18.530 0.000 -0.954) 18.555 9.308 ( -0.684 0.000 4.939) 4.986 9.598 ( -27.287 0.000 -0.261) 27.288 9.631 ( 0.399 0.000 -0.433) 0.589 9.756 ( 5.864 0.000 -3.314) 6.736 9.865 ( -0.803 0.000 0.744) 1.095 9.870 ( -0.307 0.000 0.698) 0.762 9.898 ( -0.482 0.000 2.145) 2.198 9.922 ( -1.091 0.000 4.177) 4.317 10.364 ( -0.820 0.000 -0.269) 0.863 10.387 ( 0.109 0.000 1.201) 1.206 10.534 ( -1.919 0.000 -6.201) 6.491 10.769 ( 1.945 0.000 -2.681) 3.312 10.779 ( 0.083 0.000 2.878) 2.879 10.892 ( -2.196 0.000 3.151) 3.841 10.963 ( 0.751 0.000 -1.160) 1.382 11.022 ( 7.889 0.000 -1.770) 8.086 11.026 ( 0.497 0.000 2.286) 2.339 11.091 ( 12.757 0.000 2.122) 12.932 11.115 ( -0.890 0.000 3.282) 3.401 11.134 ( -0.531 0.000 0.846) 0.999 11.166 ( 2.619 0.000 -1.051) 2.822 11.488 ( -0.232 0.000 -2.463) 2.474 11.629 ( 0.909 0.000 -3.029) 3.163 11.866 ( 0.252 0.000 -4.856) 4.863 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 17.862 0.000 13.049) 22.121 0.643 ( 14.094 0.000 17.376) 22.373 1.105 ( -7.317 0.000 4.294) 8.484 1.127 ( -15.662 0.000 4.312) 16.245 1.213 ( -3.601 0.000 17.306) 17.677 1.321 ( 9.463 0.000 21.709) 23.682 1.548 ( -5.743 0.000 1.619) 5.967 1.573 ( -3.967 0.000 3.098) 5.033 1.601 ( 0.973 0.000 4.038) 4.153 1.698 ( 5.263 0.000 -0.786) 5.321 1.812 ( 5.908 0.000 3.749) 6.997 1.838 ( 1.705 0.000 -0.603) 1.809 1.876 ( -4.356 0.000 1.949) 4.772 1.898 ( 0.398 0.000 -2.088) 2.126 1.957 ( -14.407 0.000 -0.345) 14.411 2.052 ( -0.385 0.000 2.956) 2.981 2.069 ( 5.453 0.000 -0.570) 5.483 2.132 ( -2.725 0.000 6.469) 7.019 2.144 ( 2.449 0.000 -0.656) 2.535 2.186 ( -3.526 0.000 -1.859) 3.986 2.216 ( 1.724 0.000 -5.165) 5.445 2.305 ( 2.658 0.000 -2.678) 3.773 2.359 ( -0.165 0.000 -0.390) 0.423 2.398 ( 3.068 0.000 -3.268) 4.483 2.436 ( 0.460 0.000 -0.405) 0.613 2.457 ( -2.329 0.000 -1.596) 2.824 2.533 ( -2.456 0.000 1.324) 2.790 2.643 ( 2.525 0.000 3.133) 4.024 2.664 ( -7.910 0.000 -3.169) 8.521 2.700 ( -2.893 0.000 -0.939) 3.042 2.714 ( -2.685 0.000 -3.228) 4.199 2.822 ( 2.090 0.000 -3.058) 3.704 2.844 ( 3.214 0.000 2.266) 3.932 2.889 ( -1.132 0.000 0.784) 1.377 2.994 ( 1.893 0.000 -4.338) 4.733 3.002 ( 0.000 0.000 4.384) 4.384 3.066 ( -3.164 0.000 -2.654) 4.130 3.079 ( 2.759 0.000 -3.912) 4.787 3.082 ( -0.430 0.000 -3.441) 3.468 3.199 ( 6.117 0.000 -4.316) 7.486 3.225 ( 2.506 0.000 -3.929) 4.660 3.239 ( 1.163 0.000 -2.226) 2.511 3.267 ( -3.949 0.000 -2.134) 4.489 3.298 ( 2.111 0.000 -4.324) 4.812 3.339 ( 1.605 0.000 1.842) 2.443 3.366 ( 0.137 0.000 1.854) 1.859 3.411 ( 2.122 0.000 -1.531) 2.617 3.429 ( -5.212 0.000 -4.097) 6.629 3.440 ( 1.822 0.000 4.485) 4.841 3.525 ( 3.461 0.000 0.190) 3.466 3.534 ( -4.711 0.000 -5.062) 6.915 3.573 ( 1.831 0.000 0.394) 1.873 3.587 ( -0.831 0.000 2.473) 2.609 3.624 ( -3.174 0.000 -3.547) 4.760 3.626 ( 1.558 0.000 4.802) 5.049 3.681 ( 3.106 0.000 2.954) 4.286 3.735 ( -1.080 0.000 -0.728) 1.303 3.763 ( -1.395 0.000 0.776) 1.596 3.768 ( -0.729 0.000 -0.829) 1.104 3.783 ( 2.297 0.000 7.030) 7.396 3.800 ( -3.004 0.000 -4.114) 5.094 3.910 ( -0.528 0.000 -0.244) 0.581 3.941 ( -2.032 0.000 1.514) 2.534 3.985 ( -1.066 0.000 -1.729) 2.032 4.040 ( -0.409 0.000 0.409) 0.578 4.065 ( -4.289 0.000 5.110) 6.672 4.138 ( 2.379 0.000 3.864) 4.538 4.140 ( 0.118 0.000 -4.423) 4.424 4.176 ( -1.244 0.000 4.636) 4.800 4.209 ( 7.794 0.000 1.813) 8.002 4.229 ( -0.792 0.000 4.238) 4.312 4.279 ( 0.647 0.000 -0.696) 0.950 4.305 ( -0.610 0.000 0.940) 1.121 4.340 ( -0.268 0.000 -3.860) 3.869 4.387 ( 0.381 0.000 -0.061) 0.386 4.418 ( 4.290 0.000 -2.631) 5.033 4.429 ( 1.074 0.000 4.258) 4.392 4.490 ( -4.013 0.000 5.440) 6.760 4.499 ( -4.446 0.000 -3.225) 5.493 4.557 ( -1.852 0.000 -0.157) 1.859 4.587 ( 2.531 0.000 -1.597) 2.993 4.670 ( 1.875 0.000 -2.690) 3.278 4.681 ( 1.488 0.000 0.542) 1.583 4.752 ( -3.278 0.000 -2.250) 3.976 4.797 ( 2.851 0.000 0.194) 2.858 4.870 ( 1.264 0.000 -0.941) 1.576 4.883 ( 6.182 0.000 -0.012) 6.182 4.907 ( 2.810 0.000 -3.293) 4.329 4.915 ( -1.347 0.000 -2.625) 2.950 5.012 ( -0.098 0.000 5.797) 5.798 5.024 ( -0.762 0.000 0.365) 0.845 5.060 ( -3.009 0.000 0.928) 3.149 5.110 ( -5.835 0.000 -2.366) 6.296 5.111 ( -2.785 0.000 -0.690) 2.870 5.229 ( 7.965 0.000 4.319) 9.061 5.259 ( -2.590 0.000 1.353) 2.922 5.274 ( -1.584 0.000 -1.370) 2.094 5.390 ( 5.774 0.000 -8.758) 10.490 5.391 ( 1.019 0.000 1.028) 1.448 5.427 ( 3.284 0.000 -0.671) 3.351 5.553 ( 1.981 0.000 -0.941) 2.193 5.583 ( -1.406 0.000 -4.682) 4.888 5.600 ( -1.346 0.000 5.448) 5.612 5.622 ( -1.431 0.000 -5.269) 5.460 5.641 ( 1.807 0.000 -3.896) 4.295 5.678 ( 1.586 0.000 2.037) 2.582 5.774 ( -2.409 0.000 -0.265) 2.423 5.782 ( -2.560 0.000 -0.855) 2.699 5.817 ( -3.337 0.000 3.423) 4.780 5.822 ( 1.509 0.000 -4.017) 4.292 5.864 ( -3.027 0.000 1.485) 3.372 5.875 ( 0.046 0.000 -6.242) 6.242 5.933 ( 2.039 0.000 -2.001) 2.857 5.967 ( -1.304 0.000 -1.179) 1.758 6.042 ( 0.318 0.000 -0.848) 0.905 6.072 ( -2.385 0.000 1.523) 2.830 6.075 ( -3.049 0.000 4.189) 5.181 6.127 ( -2.050 0.000 4.566) 5.005 6.203 ( 4.998 0.000 -3.346) 6.015 6.220 ( 1.546 0.000 3.341) 3.681 6.252 ( 1.194 0.000 -2.522) 2.790 6.310 ( 0.057 0.000 -2.370) 2.371 6.421 ( 0.323 0.000 0.147) 0.355 6.426 ( 3.796 0.000 -2.362) 4.471 6.492 ( 1.535 0.000 0.424) 1.592 6.502 ( 1.304 0.000 -7.448) 7.561 6.650 ( -2.458 0.000 1.523) 2.892 6.672 ( -2.498 0.000 1.863) 3.117 6.739 ( 3.260 0.000 -1.776) 3.713 6.745 ( -0.547 0.000 3.002) 3.051 6.844 ( 2.626 0.000 -1.926) 3.256 6.909 ( -1.398 0.000 -2.034) 2.468 6.957 ( -1.674 0.000 -1.361) 2.158 6.989 ( -1.288 0.000 -1.639) 2.084 7.009 ( -1.006 0.000 1.074) 1.471 7.192 ( 2.613 0.000 3.259) 4.178 7.896 ( 1.520 0.000 -0.592) 1.631 7.928 ( -0.239 0.000 -5.972) 5.977 8.006 ( -1.125 0.000 -0.543) 1.249 8.019 ( -2.347 0.000 0.593) 2.421 8.725 ( 4.446 0.000 3.312) 5.544 8.766 ( 0.078 0.000 4.682) 4.683 8.767 ( -3.285 0.000 5.795) 6.661 9.189 ( -7.326 0.000 11.266) 13.438 9.241 ( 5.725 0.000 -7.732) 9.621 9.316 ( 0.452 0.000 4.073) 4.098 9.562 ( -6.599 0.000 0.067) 6.600 9.819 ( 1.973 0.000 -0.605) 2.063 9.878 ( 0.697 0.000 0.700) 0.988 9.881 ( 1.373 0.000 0.276) 1.401 9.907 ( 0.451 0.000 1.932) 1.984 9.923 ( -0.222 0.000 6.287) 6.291 10.349 ( -0.306 0.000 -0.739) 0.800 10.398 ( 0.264 0.000 2.213) 2.229 10.490 ( -0.813 0.000 -9.235) 9.271 10.752 ( -1.597 0.000 -4.080) 4.382 10.802 ( 1.056 0.000 2.700) 2.899 10.844 ( -2.740 0.000 2.997) 4.060 10.974 ( 0.630 0.000 -1.118) 1.283 11.025 ( -1.631 0.000 3.268) 3.653 11.037 ( 0.667 0.000 -1.683) 1.810 11.117 ( -2.569 0.000 0.860) 2.710 11.117 ( 0.277 0.000 1.280) 1.310 11.125 ( -0.501 0.000 1.370) 1.459 11.215 ( -3.644 0.000 2.759) 4.571 11.469 ( -0.676 0.000 -2.172) 2.274 11.668 ( 4.154 0.000 -3.054) 5.156 11.823 ( -2.943 0.000 -4.756) 5.593 ======================= Grid point 27 (12/45) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.772 ( -20.059 0.000 1.938) 20.152 0.816 ( -18.743 0.000 6.502) 19.839 0.963 ( 14.736 0.000 12.789) 19.511 1.023 ( 17.311 0.000 6.595) 18.524 1.228 ( -4.412 0.000 6.273) 7.669 1.353 ( -0.066 0.000 7.746) 7.747 1.453 ( -3.278 0.000 -0.139) 3.281 1.582 ( -24.781 0.000 12.315) 27.672 1.639 ( 1.239 0.000 5.620) 5.755 1.782 ( 0.099 0.000 -0.362) 0.376 1.795 ( 1.754 0.000 0.502) 1.824 1.855 ( -2.761 0.000 -2.676) 3.845 1.881 ( 7.170 0.000 1.564) 7.339 1.900 ( 1.120 0.000 3.569) 3.741 1.919 ( 13.407 0.000 17.087) 21.719 2.047 ( 2.108 0.000 1.356) 2.506 2.075 ( -4.114 0.000 0.960) 4.224 2.081 ( -1.906 0.000 -0.750) 2.049 2.180 ( 1.995 0.000 3.370) 3.917 2.216 ( 3.602 0.000 -2.176) 4.208 2.255 ( 2.222 0.000 -4.045) 4.615 2.319 ( -4.735 0.000 0.875) 4.816 2.331 ( -1.852 0.000 -0.187) 1.861 2.430 ( 1.990 0.000 0.868) 2.171 2.447 ( 2.572 0.000 -1.459) 2.957 2.482 ( 2.691 0.000 -0.312) 2.709 2.507 ( -5.282 0.000 -6.157) 8.113 2.537 ( 3.631 0.000 1.027) 3.773 2.638 ( -2.152 0.000 -1.804) 2.809 2.666 ( 1.274 0.000 -0.860) 1.537 2.735 ( 2.499 0.000 3.492) 4.294 2.845 ( -0.474 0.000 -7.330) 7.345 2.887 ( 0.070 0.000 1.356) 1.358 2.906 ( 3.348 0.000 0.636) 3.408 2.964 ( -5.084 0.000 0.807) 5.147 2.986 ( -4.242 0.000 -5.455) 6.910 3.015 ( 1.228 0.000 -4.445) 4.611 3.032 ( 0.583 0.000 -2.755) 2.816 3.095 ( 0.364 0.000 -6.485) 6.495 3.157 ( -3.637 0.000 -1.006) 3.773 3.188 ( -4.788 0.000 -5.302) 7.144 3.259 ( 2.065 0.000 -3.286) 3.881 3.303 ( 0.108 0.000 -1.544) 1.548 3.314 ( -3.446 0.000 -6.953) 7.760 3.314 ( 2.495 0.000 -2.395) 3.459 3.364 ( -5.359 0.000 -6.061) 8.090 3.366 ( -0.150 0.000 0.115) 0.189 3.424 ( -0.164 0.000 -0.670) 0.690 3.443 ( 7.911 0.000 3.783) 8.769 3.494 ( -1.350 0.000 1.932) 2.356 3.548 ( -0.488 0.000 -2.684) 2.728 3.575 ( -0.566 0.000 2.611) 2.672 3.597 ( 2.083 0.000 2.840) 3.522 3.627 ( -3.036 0.000 2.143) 3.716 3.650 ( 1.992 0.000 -1.315) 2.387 3.724 ( -0.479 0.000 0.386) 0.615 3.748 ( 1.392 0.000 -0.546) 1.495 3.756 ( 0.880 0.000 2.946) 3.075 3.772 ( -0.428 0.000 6.126) 6.141 3.811 ( 3.131 0.000 -1.798) 3.610 3.869 ( 3.530 0.000 6.842) 7.698 3.905 ( -0.712 0.000 2.722) 2.814 3.907 ( 0.303 0.000 0.655) 0.722 3.944 ( 0.578 0.000 1.316) 1.438 3.976 ( -4.213 0.000 2.536) 4.917 4.014 ( -1.507 0.000 3.119) 3.464 4.084 ( -2.952 0.000 -5.665) 6.388 4.154 ( -2.003 0.000 3.494) 4.028 4.197 ( -4.266 0.000 -0.611) 4.309 4.212 ( 0.309 0.000 2.403) 2.422 4.270 ( -1.000 0.000 -3.827) 3.956 4.300 ( -1.173 0.000 -0.178) 1.186 4.325 ( 1.336 0.000 0.561) 1.448 4.337 ( 0.359 0.000 1.886) 1.919 4.358 ( -2.859 0.000 0.065) 2.860 4.372 ( 0.096 0.000 1.559) 1.562 4.413 ( -1.883 0.000 -4.295) 4.690 4.494 ( 3.037 0.000 0.028) 3.037 4.560 ( 3.729 0.000 -3.272) 4.961 4.577 ( 4.554 0.000 5.837) 7.403 4.640 ( 3.993 0.000 -2.021) 4.475 4.682 ( -2.745 0.000 -0.644) 2.819 4.705 ( -0.598 0.000 4.159) 4.202 4.716 ( 2.995 0.000 -5.015) 5.841 4.839 ( 0.491 0.000 -4.801) 4.826 4.860 ( -4.458 0.000 0.261) 4.466 4.911 ( 3.286 0.000 2.780) 4.304 4.921 ( 3.060 0.000 -1.773) 3.536 4.942 ( -5.281 0.000 -4.038) 6.647 4.989 ( -3.379 0.000 2.924) 4.468 5.037 ( 2.787 0.000 1.259) 3.058 5.041 ( 1.155 0.000 -1.676) 2.035 5.078 ( 0.343 0.000 1.097) 1.149 5.113 ( 6.527 0.000 -0.159) 6.529 5.184 ( -4.587 0.000 4.341) 6.315 5.255 ( 0.915 0.000 -0.270) 0.954 5.343 ( 0.488 0.000 -0.599) 0.773 5.398 ( 0.714 0.000 1.913) 2.042 5.412 ( -4.402 0.000 -4.229) 6.104 5.493 ( 6.284 0.000 -8.404) 10.494 5.526 ( -4.564 0.000 4.701) 6.552 5.558 ( -0.842 0.000 -1.706) 1.903 5.584 ( -1.515 0.000 -4.840) 5.072 5.600 ( 4.854 0.000 -0.518) 4.882 5.666 ( -4.939 0.000 0.091) 4.939 5.670 ( -2.165 0.000 -3.377) 4.011 5.716 ( 1.867 0.000 -0.488) 1.930 5.766 ( 0.459 0.000 -10.523) 10.533 5.796 ( -1.937 0.000 4.791) 5.168 5.830 ( 4.757 0.000 1.898) 5.122 5.861 ( 0.977 0.000 -3.717) 3.843 5.861 ( 0.283 0.000 3.729) 3.740 5.953 ( -0.141 0.000 -2.196) 2.200 5.972 ( 1.553 0.000 -1.680) 2.288 6.010 ( -3.725 0.000 2.139) 4.296 6.015 ( -3.713 0.000 3.666) 5.218 6.042 ( 0.008 0.000 -1.082) 1.082 6.094 ( -3.136 0.000 7.706) 8.320 6.214 ( -2.052 0.000 2.816) 3.484 6.240 ( -2.447 0.000 -1.615) 2.932 6.243 ( -0.294 0.000 3.016) 3.031 6.302 ( 0.815 0.000 -4.427) 4.501 6.417 ( -1.442 0.000 -0.094) 1.445 6.427 ( 0.252 0.000 -0.630) 0.678 6.506 ( 1.197 0.000 -6.205) 6.320 6.517 ( -0.747 0.000 -0.014) 0.747 6.638 ( -0.965 0.000 0.350) 1.027 6.689 ( 4.908 0.000 -1.913) 5.268 6.801 ( 2.465 0.000 -1.099) 2.699 6.803 ( 3.635 0.000 -2.002) 4.150 6.865 ( -1.419 0.000 -0.001) 1.419 6.894 ( 2.544 0.000 -2.776) 3.765 6.918 ( -1.581 0.000 -0.214) 1.595 6.986 ( -1.142 0.000 1.183) 1.644 6.995 ( 2.248 0.000 -3.531) 4.186 7.263 ( 3.587 0.000 5.452) 6.526 7.911 ( 0.692 0.000 -5.855) 5.895 7.936 ( 2.533 0.000 -1.055) 2.744 7.970 ( -2.608 0.000 0.780) 2.722 7.991 ( -0.309 0.000 -2.488) 2.507 8.723 ( -3.555 0.000 7.060) 7.904 8.766 ( -1.621 0.000 4.238) 4.538 8.791 ( 0.050 0.000 4.213) 4.213 9.008 ( -9.866 0.000 13.238) 16.510 9.346 ( -0.141 0.000 2.007) 2.012 9.441 ( 12.052 0.000 -10.137) 15.748 9.465 ( -0.670 0.000 1.461) 1.608 9.848 ( 1.126 0.000 -0.261) 1.156 9.888 ( -0.045 0.000 0.820) 0.821 9.900 ( 0.722 0.000 1.506) 1.670 9.916 ( -0.112 0.000 1.735) 1.738 9.962 ( 2.493 0.000 9.873) 10.183 10.351 ( 0.455 0.000 0.080) 0.462 10.405 ( -0.228 0.000 2.008) 2.021 10.431 ( -2.697 0.000 -12.230) 12.524 10.691 ( -3.563 0.000 -4.888) 6.049 10.816 ( -1.195 0.000 2.129) 2.441 10.816 ( -0.759 0.000 2.460) 2.574 10.970 ( -0.800 0.000 -1.270) 1.501 11.000 ( -0.817 0.000 1.143) 1.405 11.031 ( -2.169 0.000 1.700) 2.756 11.097 ( 0.914 0.000 0.854) 1.250 11.125 ( 0.401 0.000 0.488) 0.632 11.130 ( -0.211 0.000 3.420) 3.426 11.138 ( -4.338 0.000 1.926) 4.746 11.465 ( 0.885 0.000 -1.489) 1.732 11.731 ( -1.723 0.000 -3.894) 4.258 11.763 ( 3.169 0.000 -3.950) 5.064 ======================= Grid point 28 (13/45) ======================= q-point: (-0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( -9.590 0.000 18.957) 21.245 0.512 ( -15.701 0.000 13.611) 20.779 1.049 ( -26.312 0.000 27.825) 38.296 1.120 ( -3.126 0.000 3.575) 4.749 1.230 ( 10.095 0.000 8.682) 13.315 1.376 ( 5.437 0.000 12.579) 13.704 1.441 ( 1.653 0.000 0.673) 1.785 1.492 ( 11.706 0.000 3.509) 12.220 1.662 ( -3.195 0.000 0.809) 3.296 1.695 ( -3.437 0.000 3.898) 5.197 1.785 ( 1.517 0.000 0.867) 1.748 1.840 ( -3.676 0.000 0.874) 3.779 1.921 ( 0.722 0.000 -1.020) 1.249 1.922 ( 1.334 0.000 -0.281) 1.363 1.969 ( -8.177 0.000 -1.845) 8.383 2.010 ( -1.822 0.000 0.136) 1.827 2.126 ( -2.810 0.000 -2.069) 3.490 2.132 ( 2.804 0.000 0.481) 2.845 2.212 ( -3.177 0.000 -3.614) 4.811 2.220 ( -0.056 0.000 1.810) 1.811 2.269 ( -0.273 0.000 2.254) 2.270 2.312 ( 3.268 0.000 -0.026) 3.268 2.324 ( 5.711 0.000 4.938) 7.550 2.451 ( -1.038 0.000 -6.405) 6.488 2.477 ( 1.706 0.000 0.502) 1.778 2.481 ( 2.419 0.000 -2.279) 3.323 2.551 ( 2.163 0.000 -0.263) 2.179 2.622 ( 3.416 0.000 4.246) 5.450 2.631 ( 1.191 0.000 1.849) 2.199 2.667 ( -2.112 0.000 -1.721) 2.725 2.709 ( -3.910 0.000 -5.464) 6.719 2.813 ( 5.150 0.000 3.153) 6.038 2.881 ( -0.234 0.000 0.282) 0.367 2.905 ( -2.233 0.000 -0.775) 2.364 2.958 ( 2.129 0.000 -3.994) 4.526 2.971 ( 1.675 0.000 3.920) 4.263 3.004 ( -0.466 0.000 -4.008) 4.035 3.023 ( -1.790 0.000 -5.371) 5.661 3.049 ( -4.791 0.000 -6.325) 7.935 3.097 ( -0.269 0.000 -2.380) 2.395 3.152 ( 1.857 0.000 1.571) 2.433 3.242 ( -0.640 0.000 -2.761) 2.834 3.246 ( -0.275 0.000 -6.506) 6.512 3.284 ( -2.543 0.000 0.095) 2.545 3.324 ( -0.490 0.000 -4.813) 4.838 3.331 ( 0.879 0.000 3.130) 3.251 3.422 ( 6.630 0.000 -2.760) 7.181 3.423 ( -0.296 0.000 -0.587) 0.658 3.477 ( -0.159 0.000 -2.209) 2.215 3.521 ( -3.097 0.000 -0.645) 3.163 3.530 ( -3.388 0.000 1.826) 3.848 3.563 ( 0.003 0.000 7.142) 7.142 3.596 ( -1.898 0.000 -2.740) 3.333 3.631 ( -0.961 0.000 1.955) 2.178 3.646 ( 4.993 0.000 2.730) 5.691 3.700 ( -2.104 0.000 6.378) 6.716 3.759 ( 2.080 0.000 -0.875) 2.257 3.778 ( 2.179 0.000 -3.863) 4.436 3.787 ( -2.455 0.000 -3.143) 3.988 3.867 ( 0.399 0.000 -3.142) 3.167 3.891 ( -0.379 0.000 -2.454) 2.483 3.891 ( -0.296 0.000 0.134) 0.326 3.940 ( 1.974 0.000 1.021) 2.223 3.972 ( 2.506 0.000 -0.538) 2.563 3.982 ( 2.145 0.000 -1.355) 2.537 4.037 ( 1.099 0.000 0.191) 1.115 4.076 ( 3.369 0.000 3.115) 4.588 4.079 ( -4.132 0.000 3.855) 5.652 4.148 ( -5.690 0.000 -1.517) 5.889 4.154 ( -0.222 0.000 4.181) 4.187 4.220 ( -1.666 0.000 -1.368) 2.156 4.267 ( -1.845 0.000 3.004) 3.525 4.299 ( -3.593 0.000 -0.040) 3.593 4.329 ( 0.590 0.000 2.455) 2.524 4.359 ( -0.710 0.000 0.836) 1.097 4.364 ( 0.239 0.000 -3.062) 3.071 4.433 ( 0.813 0.000 0.575) 0.996 4.540 ( 4.258 0.000 0.727) 4.320 4.594 ( -2.500 0.000 1.636) 2.988 4.633 ( 0.411 0.000 1.781) 1.828 4.660 ( 0.446 0.000 1.967) 2.017 4.686 ( 0.111 0.000 3.316) 3.318 4.706 ( -4.473 0.000 1.768) 4.809 4.715 ( 1.386 0.000 -3.251) 3.534 4.784 ( -4.871 0.000 -1.703) 5.160 4.831 ( 0.937 0.000 -3.160) 3.297 4.894 ( 4.685 0.000 -2.100) 5.134 4.908 ( -3.439 0.000 1.051) 3.596 4.953 ( -0.689 0.000 -0.296) 0.750 5.003 ( 3.301 0.000 -2.101) 3.913 5.048 ( -1.371 0.000 0.658) 1.521 5.074 ( 3.479 0.000 1.111) 3.652 5.107 ( -6.681 0.000 3.147) 7.385 5.149 ( 0.537 0.000 4.524) 4.556 5.158 ( 6.028 0.000 -0.490) 6.048 5.294 ( -6.089 0.000 -4.359) 7.489 5.300 ( 1.657 0.000 -0.402) 1.705 5.348 ( -0.753 0.000 -2.823) 2.921 5.379 ( -1.879 0.000 -5.584) 5.892 5.432 ( -1.867 0.000 1.601) 2.459 5.441 ( -6.616 0.000 -0.807) 6.665 5.566 ( -0.317 0.000 -1.788) 1.816 5.586 ( -3.498 0.000 -0.535) 3.539 5.652 ( 7.645 0.000 2.564) 8.064 5.671 ( 4.537 0.000 -3.053) 5.468 5.714 ( 4.713 0.000 1.626) 4.986 5.724 ( -0.382 0.000 -10.155) 10.162 5.774 ( -0.173 0.000 3.622) 3.626 5.795 ( 1.224 0.000 3.059) 3.295 5.843 ( -2.163 0.000 -1.608) 2.695 5.894 ( -0.562 0.000 1.858) 1.941 5.896 ( 4.661 0.000 -1.839) 5.010 5.941 ( -0.004 0.000 -5.886) 5.886 5.958 ( -2.342 0.000 2.999) 3.805 5.960 ( -3.253 0.000 3.402) 4.707 6.008 ( 3.936 0.000 -2.934) 4.909 6.041 ( -0.226 0.000 0.364) 0.429 6.091 ( 1.085 0.000 6.740) 6.826 6.178 ( -2.472 0.000 -2.251) 3.343 6.181 ( -2.393 0.000 4.033) 4.689 6.223 ( -1.972 0.000 -1.423) 2.432 6.303 ( 0.761 0.000 -4.812) 4.872 6.388 ( -2.217 0.000 -0.194) 2.225 6.430 ( 0.272 0.000 -0.571) 0.632 6.494 ( -1.104 0.000 1.858) 2.161 6.505 ( 0.584 0.000 -5.973) 6.002 6.642 ( 0.972 0.000 0.505) 1.095 6.729 ( -1.532 0.000 -0.454) 1.598 6.790 ( -2.497 0.000 -0.179) 2.503 6.817 ( 2.160 0.000 -1.547) 2.656 6.875 ( -3.043 0.000 1.386) 3.344 6.913 ( 3.719 0.000 -2.485) 4.473 6.944 ( 2.964 0.000 -1.730) 3.432 6.995 ( 1.297 0.000 -0.594) 1.426 7.036 ( 2.876 0.000 -2.798) 4.012 7.329 ( 0.527 0.000 -2.520) 2.574 7.915 ( -2.222 0.000 0.107) 2.225 7.952 ( 5.196 0.000 0.125) 5.198 7.977 ( 0.228 0.000 -2.554) 2.564 7.997 ( 3.043 0.000 -0.242) 3.052 8.693 ( -0.557 0.000 10.550) 10.565 8.710 ( -4.857 0.000 3.278) 5.860 8.776 ( -2.093 0.000 4.690) 5.135 8.894 ( -6.212 0.000 8.792) 10.766 9.315 ( -1.841 0.000 3.705) 4.137 9.555 ( 6.550 0.000 0.435) 6.564 9.620 ( 9.725 0.000 -6.283) 11.578 9.844 ( -0.946 0.000 -2.813) 2.967 9.881 ( -0.816 0.000 0.686) 1.066 9.911 ( -1.065 0.000 1.944) 2.217 9.917 ( 0.070 0.000 1.688) 1.689 10.047 ( -3.548 0.000 -6.114) 7.069 10.363 ( 0.559 0.000 0.936) 1.090 10.398 ( -0.982 0.000 0.628) 1.165 10.401 ( 11.701 0.000 12.339) 17.004 10.604 ( -3.799 0.000 -4.761) 6.091 10.791 ( -2.016 0.000 2.457) 3.178 10.809 ( 0.063 0.000 1.377) 1.379 10.957 ( 0.094 0.000 -1.268) 1.271 10.977 ( -4.140 0.000 3.688) 5.544 11.006 ( 0.859 0.000 0.757) 1.145 11.078 ( -2.124 0.000 0.348) 2.153 11.125 ( -1.120 0.000 4.051) 4.203 11.135 ( 0.122 0.000 0.895) 0.903 11.136 ( 2.306 0.000 -0.970) 2.502 11.484 ( 1.266 0.000 -1.819) 2.216 11.658 ( -2.793 0.000 -3.592) 4.550 11.837 ( 3.944 0.000 -4.262) 5.807 ======================= Grid point 29 (14/45) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.596 ( -3.567 13.071 17.003) 21.741 0.636 ( -1.098 16.477 14.869) 22.221 1.123 ( -1.044 1.732 8.067) 8.317 1.167 ( 3.325 18.213 27.107) 32.826 1.315 ( -1.521 -6.643 3.965) 7.885 1.353 ( 0.021 -5.307 4.818) 7.168 1.406 ( -4.655 -7.202 6.103) 10.525 1.523 ( 0.544 -5.372 0.237) 5.405 1.569 ( -1.384 -8.600 1.655) 8.866 1.705 ( -1.512 1.539 1.712) 2.754 1.723 ( 3.534 2.119 4.072) 5.793 1.761 ( -3.629 -1.307 2.797) 4.765 1.821 ( -3.301 -3.187 -3.268) 5.633 1.906 ( -1.194 -0.053 3.289) 3.499 2.030 ( 1.857 0.855 -5.139) 5.531 2.089 ( 4.370 -1.343 1.308) 4.756 2.102 ( 4.301 3.221 0.284) 5.381 2.123 ( -0.993 -0.175 -2.905) 3.075 2.195 ( -2.819 -0.608 -0.548) 2.935 2.257 ( 4.382 -2.677 -1.459) 5.339 2.266 ( 0.044 2.359 -0.384) 2.391 2.316 ( -2.279 -0.871 -1.361) 2.794 2.360 ( -0.032 3.846 -1.204) 4.031 2.406 ( -3.362 0.788 -4.109) 5.368 2.471 ( -1.403 -0.236 -1.362) 1.970 2.504 ( -0.514 0.691 -1.804) 1.999 2.525 ( 3.288 0.902 -2.074) 3.990 2.597 ( 0.872 -2.184 1.091) 2.593 2.631 ( -0.672 -2.280 1.918) 3.054 2.699 ( 2.552 1.469 4.195) 5.126 2.787 ( -4.748 -1.178 -0.236) 4.898 2.806 ( -1.500 -1.713 1.375) 2.660 2.861 ( 2.052 -2.686 -0.888) 3.495 2.889 ( -1.938 0.542 -4.838) 5.240 2.971 ( -0.100 0.076 -0.632) 0.645 2.988 ( -1.217 1.950 -1.006) 2.509 3.021 ( 2.802 -0.310 0.137) 2.823 3.062 ( -0.408 4.489 1.084) 4.636 3.094 ( -0.182 -1.180 0.169) 1.206 3.105 ( 5.536 1.300 -0.676) 5.727 3.162 ( 1.311 -0.323 -1.924) 2.350 3.179 ( -1.056 -5.459 -0.948) 5.641 3.241 ( -2.203 -2.794 -0.153) 3.562 3.270 ( 3.053 -0.539 -1.472) 3.432 3.276 ( 1.154 2.293 -1.373) 2.911 3.352 ( 0.866 -1.113 1.052) 1.759 3.407 ( 1.930 0.126 0.164) 1.941 3.456 ( -2.912 -1.948 1.334) 3.749 3.481 ( 0.525 2.285 1.791) 2.950 3.509 ( -1.346 -0.173 -1.476) 2.005 3.523 ( 2.257 -0.060 -1.995) 3.013 3.582 ( -0.443 1.747 0.306) 1.828 3.603 ( 0.437 1.229 2.295) 2.639 3.642 ( -0.295 2.366 3.198) 3.989 3.666 ( -0.741 -0.277 0.289) 0.842 3.674 ( 0.466 -1.414 -2.292) 2.733 3.726 ( -0.923 -2.467 -4.216) 4.971 3.745 ( 2.327 0.574 3.439) 4.192 3.783 ( -0.932 -4.242 -1.573) 4.619 3.827 ( -0.469 0.465 -0.929) 1.140 3.870 ( 3.957 -2.461 -0.938) 4.754 3.889 ( -1.773 -2.266 -2.901) 4.086 3.920 ( -0.791 -1.276 -0.217) 1.517 3.968 ( -1.399 -0.510 -0.541) 1.584 3.997 ( -2.373 3.094 -0.571) 3.941 4.055 ( 0.479 -0.190 -1.273) 1.373 4.067 ( 0.168 0.638 -0.589) 0.884 4.131 ( 1.757 1.509 0.908) 2.488 4.165 ( 2.266 0.964 2.612) 3.590 4.204 ( 0.011 -3.652 1.965) 4.148 4.239 ( -1.135 0.613 3.865) 4.075 4.252 ( 2.966 -0.146 2.555) 3.917 4.298 ( 2.297 2.379 4.036) 5.217 4.315 ( -2.583 -3.162 4.104) 5.789 4.361 ( 1.770 1.257 0.383) 2.204 4.422 ( -1.505 2.634 1.331) 3.313 4.483 ( -3.227 1.816 -3.448) 5.059 4.519 ( 0.438 1.882 -0.585) 2.019 4.565 ( -4.340 -0.713 -0.140) 4.400 4.627 ( -2.079 1.193 -1.906) 3.063 4.655 ( 3.752 -0.631 -0.849) 3.898 4.685 ( -0.441 1.723 0.426) 1.829 4.706 ( -0.707 0.714 -0.452) 1.101 4.725 ( -1.188 1.468 -3.208) 3.722 4.765 ( -3.593 -0.214 -1.515) 3.905 4.809 ( 2.310 -0.945 -2.972) 3.881 4.860 ( 0.267 -0.686 -0.765) 1.062 4.935 ( -0.812 0.017 -3.463) 3.557 4.984 ( 1.078 1.812 -2.425) 3.213 5.010 ( 1.536 2.500 0.499) 2.976 5.074 ( -0.068 0.171 -1.652) 1.662 5.087 ( 2.289 -0.329 4.449) 5.015 5.149 ( -3.590 3.661 -4.124) 6.580 5.171 ( 0.972 -1.401 -0.595) 1.806 5.212 ( -2.277 2.257 2.494) 4.061 5.251 ( -0.339 -1.518 1.965) 2.506 5.268 ( 0.298 -0.517 1.244) 1.380 5.328 ( 0.783 0.221 -0.356) 0.888 5.353 ( 2.726 3.044 -4.386) 5.994 5.447 ( 2.083 2.084 -3.640) 4.683 5.498 ( -0.029 1.481 1.362) 2.012 5.554 ( 0.140 0.818 -0.140) 0.841 5.583 ( 0.830 -0.236 -0.783) 1.165 5.638 ( -1.784 -2.793 -4.875) 5.895 5.665 ( -2.053 -2.725 -0.849) 3.516 5.690 ( -0.972 -2.259 -0.926) 2.627 5.753 ( -0.024 -1.549 4.116) 4.398 5.774 ( 1.182 -3.234 2.297) 4.139 5.804 ( 1.883 0.944 -0.844) 2.270 5.848 ( 0.357 1.704 1.293) 2.169 5.878 ( 0.693 2.674 0.033) 2.762 5.888 ( -0.293 -0.308 -6.176) 6.190 5.972 ( 5.911 1.301 -1.355) 6.202 5.990 ( -0.163 3.346 1.365) 3.617 6.037 ( -2.020 1.468 -2.479) 3.519 6.047 ( 2.390 -0.307 1.941) 3.094 6.110 ( 2.596 -1.716 1.663) 3.529 6.120 ( 3.450 1.601 -1.605) 4.128 6.144 ( -0.782 -0.734 2.750) 2.952 6.186 ( 0.564 0.104 -0.134) 0.589 6.231 ( 1.438 1.792 -1.517) 2.753 6.286 ( 1.034 -0.693 -4.130) 4.313 6.327 ( -1.468 -0.837 1.566) 2.304 6.398 ( 0.883 -3.986 -1.465) 4.337 6.525 ( -0.272 6.342 -4.017) 7.512 6.581 ( -0.951 2.643 -0.902) 2.951 6.645 ( 0.590 -1.604 0.460) 1.770 6.731 ( -2.029 2.343 0.998) 3.256 6.750 ( -2.306 0.148 -0.033) 2.311 6.793 ( -1.353 -1.561 -0.767) 2.204 6.866 ( -1.405 1.856 -1.890) 2.999 6.939 ( 0.938 1.325 -2.113) 2.665 6.972 ( 1.143 -0.448 -0.910) 1.528 7.010 ( 0.092 -0.018 -0.232) 0.250 7.039 ( -2.062 -1.272 0.534) 2.480 7.135 ( -3.242 -4.582 -0.418) 5.628 7.891 ( -0.566 0.292 -0.477) 0.795 7.933 ( -0.611 -1.435 -3.616) 3.938 8.028 ( 0.302 -0.393 1.005) 1.121 8.035 ( 0.700 -0.323 0.504) 0.921 8.673 ( 0.579 0.968 3.322) 3.508 8.754 ( 2.734 -1.843 5.257) 6.206 8.808 ( 0.649 -0.421 5.091) 5.150 8.831 ( 4.340 -3.473 7.453) 9.298 9.281 ( -1.445 -2.280 5.624) 6.239 9.308 ( -12.639 -9.422 13.774) 20.934 9.652 ( 1.012 1.624 -0.758) 2.059 9.743 ( 5.474 -1.344 -3.039) 6.403 9.863 ( -0.360 0.060 0.547) 0.657 9.870 ( -0.326 -0.040 0.564) 0.653 9.898 ( -0.568 -0.017 2.320) 2.389 9.913 ( -1.193 -0.707 3.660) 3.914 10.366 ( -0.580 0.402 0.084) 0.711 10.399 ( -0.018 1.088 0.685) 1.285 10.463 ( 4.597 -6.264 6.083) 9.869 10.515 ( -1.902 -3.339 -5.720) 6.891 10.747 ( -0.559 -3.370 5.765) 6.701 10.776 ( -0.376 -1.840 3.357) 3.846 10.848 ( 0.619 0.269 1.239) 1.411 10.978 ( -0.537 -4.261 -0.430) 4.316 11.041 ( -0.615 1.461 -0.367) 1.627 11.127 ( -1.806 0.272 -0.680) 1.949 11.179 ( 1.951 4.215 0.963) 4.744 11.228 ( 1.206 4.745 0.503) 4.921 11.490 ( -0.490 1.615 -3.337) 3.740 11.610 ( 1.045 -1.748 -3.124) 3.730 11.783 ( 2.522 13.913 -19.080) 23.749 11.883 ( 0.112 1.390 -6.360) 6.511 ======================= Grid point 30 (15/45) ======================= q-point: ( 0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( 10.496 8.759 12.811) 18.735 0.776 ( 10.654 9.510 13.157) 19.417 1.105 ( -7.961 3.509 1.596) 8.845 1.229 ( -2.948 -1.642 10.350) 10.887 1.233 ( -11.979 6.830 3.788) 14.300 1.378 ( 1.976 -11.128 8.576) 14.187 1.420 ( 3.016 3.665 11.107) 12.078 1.484 ( -0.885 -8.556 6.366) 10.701 1.541 ( 0.054 -7.802 -0.123) 7.803 1.678 ( 0.352 5.411 9.790) 11.192 1.710 ( -3.869 -6.082 0.613) 7.234 1.778 ( 4.526 1.641 1.642) 5.086 1.840 ( 3.204 -2.068 0.922) 3.924 1.883 ( -1.971 -1.086 -0.745) 2.370 1.968 ( -5.026 -1.535 -4.540) 6.945 2.066 ( -4.460 1.161 3.165) 5.591 2.174 ( 1.675 7.036 0.171) 7.235 2.194 ( 1.701 -0.779 -0.512) 1.940 2.228 ( 2.342 2.077 -0.635) 3.194 2.240 ( -1.121 4.237 -0.898) 4.474 2.281 ( -1.146 4.002 -1.155) 4.321 2.314 ( 6.080 -0.507 -2.549) 6.612 2.340 ( 2.283 -1.024 -2.300) 3.399 2.419 ( 0.224 2.843 2.819) 4.010 2.447 ( -1.731 3.506 -2.267) 4.520 2.503 ( 3.844 1.751 -1.919) 4.640 2.515 ( -6.037 0.683 1.574) 6.276 2.583 ( 2.011 -2.063 1.536) 3.265 2.634 ( -5.092 -1.669 -1.294) 5.513 2.684 ( -6.580 -0.609 -1.897) 6.875 2.724 ( 2.003 -1.839 1.276) 3.004 2.769 ( -0.312 -0.461 1.843) 1.926 2.836 ( 0.782 -2.035 -5.897) 6.287 2.890 ( -0.099 -4.670 -0.451) 4.693 2.944 ( -0.503 -3.132 -2.081) 3.794 3.004 ( -1.345 -1.301 -0.421) 1.918 3.031 ( 0.722 1.242 -0.654) 1.579 3.059 ( -1.112 0.345 -3.423) 3.615 3.096 ( 1.535 -1.396 1.079) 2.339 3.118 ( -1.258 -4.870 -3.550) 6.156 3.191 ( -0.196 -1.574 0.540) 1.676 3.207 ( -0.019 -4.768 1.222) 4.922 3.236 ( 5.042 1.229 -1.804) 5.494 3.297 ( 1.202 -2.483 -2.537) 3.748 3.333 ( 0.467 -1.306 2.632) 2.975 3.355 ( -1.503 1.901 -3.507) 4.263 3.403 ( 3.492 -2.914 -1.726) 4.864 3.441 ( -1.562 -0.116 -1.067) 1.895 3.480 ( 1.330 0.183 -0.855) 1.592 3.512 ( -2.286 1.377 -2.809) 3.874 3.543 ( 0.019 4.888 1.288) 5.055 3.566 ( -1.984 -0.179 1.528) 2.511 3.582 ( -0.245 -0.598 2.075) 2.173 3.641 ( -1.137 -0.549 0.286) 1.294 3.666 ( -2.242 -1.588 -2.763) 3.897 3.700 ( 1.832 3.713 2.234) 4.705 3.708 ( 3.165 -0.270 4.638) 5.621 3.756 ( -0.543 -1.756 -1.858) 2.614 3.785 ( -1.442 0.137 -0.043) 1.449 3.818 ( 1.035 1.456 2.569) 3.129 3.825 ( -1.805 3.212 0.728) 3.756 3.854 ( -0.015 -2.775 0.080) 2.777 3.937 ( -2.703 -0.202 1.537) 3.117 3.974 ( 2.035 0.938 3.451) 4.115 4.019 ( 0.728 -0.504 0.309) 0.938 4.046 ( 0.890 -3.885 -1.835) 4.388 4.081 ( -1.836 -1.002 2.435) 3.211 4.154 ( -2.468 0.375 -5.361) 5.913 4.184 ( 1.556 -0.546 3.792) 4.136 4.206 ( -0.719 -1.986 4.090) 4.603 4.221 ( -2.580 -1.541 0.716) 3.089 4.245 ( -1.617 -2.860 6.659) 7.425 4.299 ( 1.194 -1.640 -3.168) 3.762 4.356 ( 1.398 2.481 -0.803) 2.959 4.406 ( -1.176 0.247 4.517) 4.674 4.422 ( 6.276 -1.305 0.527) 6.432 4.465 ( 2.549 1.926 -2.588) 4.112 4.490 ( -1.672 2.572 -1.108) 3.262 4.515 ( -1.344 3.441 -3.637) 5.184 4.617 ( -2.601 -1.110 -1.410) 3.160 4.623 ( -2.908 2.025 0.857) 3.646 4.652 ( 3.088 4.418 -1.772) 5.674 4.707 ( 2.419 1.215 -5.021) 5.704 4.785 ( -1.780 3.186 -1.662) 4.010 4.813 ( 4.561 -0.797 0.130) 4.632 4.818 ( 4.032 1.243 -0.285) 4.229 4.889 ( 3.106 -1.005 -1.968) 3.812 4.902 ( 1.031 -0.677 -3.302) 3.525 4.965 ( -1.569 -3.420 0.948) 3.880 5.012 ( -2.598 2.493 2.908) 4.628 5.041 ( -3.928 1.023 -4.910) 6.370 5.066 ( -1.265 1.557 -2.214) 2.988 5.100 ( -1.083 1.854 1.603) 2.680 5.158 ( -3.186 3.247 2.179) 5.044 5.208 ( -1.032 -2.420 3.748) 4.579 5.250 ( -1.432 -1.072 1.709) 2.474 5.280 ( 6.470 1.246 0.813) 6.639 5.394 ( 2.403 1.733 -2.164) 3.669 5.428 ( 4.680 1.981 -6.062) 7.910 5.466 ( 2.317 -1.420 -3.229) 4.221 5.517 ( -3.223 -1.770 -1.756) 4.075 5.532 ( -1.633 0.391 0.756) 1.841 5.580 ( 2.556 -1.726 1.436) 3.403 5.615 ( -0.906 -1.088 -3.375) 3.660 5.633 ( 1.685 -0.742 -3.628) 4.068 5.670 ( 0.098 -1.947 -0.173) 1.957 5.762 ( -0.485 -1.998 3.006) 3.642 5.788 ( 0.479 -2.805 -3.112) 4.217 5.813 ( -1.722 2.358 3.020) 4.201 5.839 ( -1.201 2.488 1.938) 3.374 5.864 ( -1.622 2.220 -1.694) 3.230 5.879 ( -1.858 -0.120 -4.291) 4.678 5.947 ( -1.622 -1.602 -1.255) 2.602 5.990 ( 0.052 3.056 -1.881) 3.589 6.015 ( -2.464 -0.194 1.897) 3.116 6.056 ( -3.187 -0.414 3.586) 4.815 6.120 ( -1.244 1.239 3.655) 4.055 6.147 ( 0.157 2.102 0.299) 2.129 6.194 ( 1.951 -1.580 1.118) 2.748 6.225 ( 2.752 0.931 0.531) 2.954 6.291 ( -0.581 -0.901 0.340) 1.125 6.301 ( 2.374 2.493 -2.299) 4.139 6.334 ( 3.925 -4.165 -1.662) 5.959 6.415 ( 0.804 -2.678 -0.156) 2.800 6.496 ( -0.551 3.304 -5.431) 6.381 6.577 ( 1.655 3.022 -2.635) 4.338 6.647 ( -0.962 -1.869 -0.015) 2.102 6.714 ( 0.292 3.899 -1.737) 4.279 6.736 ( 0.653 -1.494 1.100) 1.967 6.772 ( 0.664 2.709 -0.723) 2.881 6.834 ( 0.721 -0.121 -2.178) 2.298 6.942 ( -0.276 1.591 -1.392) 2.132 6.961 ( -2.060 0.666 -0.660) 2.263 6.977 ( -2.066 -0.535 -0.388) 2.169 7.006 ( -0.458 -0.048 0.480) 0.665 7.150 ( 2.113 -3.779 2.480) 4.989 7.896 ( 1.309 -0.026 -1.029) 1.666 7.915 ( 0.022 -0.944 -4.646) 4.741 8.008 ( -1.344 0.177 -0.284) 1.385 8.018 ( -2.232 -0.158 0.470) 2.286 8.746 ( 3.730 1.761 3.994) 5.741 8.770 ( -0.169 0.453 4.556) 4.582 8.782 ( -1.387 1.440 5.275) 5.641 9.048 ( 1.705 -12.138 9.439) 15.470 9.203 ( 4.814 0.794 1.065) 4.994 9.290 ( 1.130 -2.288 4.095) 4.825 9.586 ( -7.008 2.364 0.053) 7.396 9.778 ( -1.162 -4.267 -0.109) 4.423 9.876 ( 0.900 -0.170 0.791) 1.210 9.879 ( 1.114 -0.179 0.494) 1.232 9.904 ( -0.011 -0.297 2.709) 2.725 9.909 ( -0.091 -0.520 3.130) 3.174 10.353 ( -0.345 0.471 -0.620) 0.851 10.409 ( 0.356 1.003 1.953) 2.224 10.455 ( -2.194 -3.097 -6.982) 7.947 10.555 ( 2.908 -10.803 3.984) 11.876 10.754 ( -0.737 -2.074 5.910) 6.306 10.786 ( 0.405 -1.154 2.323) 2.626 10.869 ( 0.410 0.408 2.719) 2.780 10.972 ( 0.292 -3.100 -0.780) 3.210 11.022 ( -0.799 -0.131 -0.522) 0.963 11.091 ( -1.385 -1.342 -1.165) 2.253 11.220 ( 1.305 4.751 0.349) 4.940 11.267 ( 3.040 7.323 1.113) 8.006 11.455 ( -2.246 3.316 -4.491) 6.018 11.606 ( -5.966 6.728 -5.843) 10.724 11.674 ( 0.460 5.016 -5.912) 7.767 11.825 ( -3.743 -0.024 -5.614) 6.747 ======================= Grid point 31 (16/45) ======================= q-point: (-0.50 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( -12.977 7.113 5.436) 15.765 0.932 ( -10.072 8.483 5.307) 14.198 0.975 ( 10.653 2.032 8.691) 13.897 1.115 ( 8.715 8.209 8.677) 14.786 1.253 ( -4.722 -0.376 6.401) 7.963 1.343 ( 1.812 -4.806 3.768) 6.370 1.420 ( 0.245 -1.077 5.108) 5.227 1.531 ( -3.160 -5.624 7.398) 9.816 1.573 ( 0.949 -10.645 3.472) 11.237 1.671 ( -5.276 -4.053 4.845) 8.230 1.712 ( -9.749 2.762 3.835) 10.834 1.787 ( 0.791 -1.241 -0.950) 1.752 1.865 ( 1.688 -1.631 -1.153) 2.615 1.916 ( 3.155 0.878 7.130) 7.846 1.947 ( 3.662 -4.309 1.457) 5.839 1.955 ( -0.240 3.437 1.619) 3.807 2.171 ( -2.477 5.937 -0.531) 6.455 2.198 ( -1.326 2.646 -3.628) 4.682 2.251 ( 4.365 0.022 -1.676) 4.676 2.280 ( 2.813 0.391 -0.405) 2.869 2.286 ( 0.526 6.119 0.443) 6.158 2.343 ( -2.705 0.915 -3.775) 4.734 2.354 ( -2.994 -3.056 0.890) 4.370 2.427 ( -1.587 -3.162 1.641) 3.900 2.459 ( 5.899 0.575 1.285) 6.064 2.489 ( 3.109 6.371 1.496) 7.245 2.506 ( -4.296 1.187 -1.506) 4.704 2.554 ( -0.043 5.003 -2.468) 5.579 2.625 ( 2.392 1.198 3.860) 4.697 2.654 ( 1.576 1.183 0.224) 1.984 2.684 ( -2.606 -4.705 -1.530) 5.592 2.793 ( 0.645 -4.579 2.330) 5.178 2.832 ( 1.421 -2.713 -8.038) 8.602 2.894 ( -3.597 -5.118 -3.019) 6.946 2.953 ( 3.352 -1.859 2.340) 4.491 2.976 ( 1.191 0.796 -3.021) 3.343 3.013 ( -1.316 -0.046 -0.975) 1.638 3.051 ( -0.102 1.218 -1.752) 2.136 3.071 ( -0.734 -1.101 -3.944) 4.160 3.134 ( -0.963 -5.183 1.549) 5.494 3.163 ( -0.607 2.183 -4.094) 4.680 3.201 ( 0.420 -5.774 -1.435) 5.964 3.269 ( -1.586 -2.941 2.124) 3.960 3.295 ( -1.206 -0.262 -1.893) 2.260 3.316 ( -2.139 1.030 0.192) 2.382 3.377 ( 3.147 0.765 -1.041) 3.402 3.394 ( -1.157 1.750 -4.341) 4.822 3.445 ( 0.108 1.793 -4.873) 5.193 3.471 ( 1.754 1.418 -2.946) 3.710 3.506 ( 0.295 -4.413 1.816) 4.781 3.519 ( -1.088 2.301 -0.220) 2.555 3.549 ( -0.590 -1.580 0.822) 1.876 3.585 ( 0.104 0.516 3.059) 3.104 3.630 ( 0.034 -3.713 2.172) 4.302 3.649 ( 1.022 2.573 -3.092) 4.150 3.724 ( -0.956 1.558 2.610) 3.186 3.738 ( 0.498 -3.104 0.746) 3.231 3.771 ( -0.995 0.175 0.701) 1.230 3.776 ( -0.053 0.187 2.960) 2.966 3.803 ( -0.163 -2.543 2.505) 3.574 3.862 ( -2.032 -2.785 1.130) 3.628 3.881 ( 2.136 2.671 2.037) 3.981 3.916 ( 3.264 2.193 1.745) 4.302 3.952 ( -3.516 0.588 -0.703) 3.633 3.998 ( 0.461 3.855 3.528) 5.246 4.029 ( -1.334 0.980 5.394) 5.642 4.067 ( -0.350 -2.539 -2.605) 3.655 4.107 ( -1.531 -1.403 -1.030) 2.318 4.158 ( -2.312 -0.248 3.937) 4.573 4.213 ( 0.036 -3.695 1.034) 3.838 4.239 ( -2.285 -2.622 1.156) 3.665 4.256 ( 2.181 -4.267 1.331) 4.974 4.304 ( 0.600 -0.263 -1.035) 1.225 4.369 ( -1.299 1.032 0.832) 1.856 4.408 ( 1.315 4.765 0.421) 4.961 4.453 ( -2.040 4.143 -3.019) 5.517 4.470 ( 1.027 2.795 -3.236) 4.397 4.507 ( -0.183 1.355 1.116) 1.765 4.569 ( 2.692 0.347 -0.319) 2.733 4.585 ( 3.998 -2.432 -2.224) 5.181 4.616 ( 1.345 -1.047 -0.420) 1.755 4.678 ( 0.396 1.554 -3.919) 4.234 4.702 ( 0.384 3.008 0.113) 3.034 4.767 ( -0.383 2.350 -4.723) 5.290 4.816 ( -1.662 -0.956 -2.719) 3.327 4.865 ( 0.135 -0.748 -0.936) 1.206 4.906 ( -0.208 -2.983 -3.720) 4.773 4.950 ( 1.642 2.012 -1.361) 2.932 4.982 ( -0.723 -0.338 0.569) 0.980 4.994 ( 2.561 4.079 3.609) 6.018 5.031 ( 1.573 0.225 0.669) 1.724 5.035 ( 1.411 2.897 -0.440) 3.252 5.093 ( -2.330 1.549 0.509) 2.844 5.144 ( 3.514 1.074 0.769) 3.754 5.158 ( -3.369 -0.984 3.545) 4.988 5.226 ( -0.486 -1.965 1.832) 2.730 5.392 ( -0.725 1.539 -3.063) 3.503 5.413 ( -5.542 -1.573 -0.472) 5.780 5.424 ( -2.149 3.024 -2.846) 4.676 5.451 ( 7.291 -2.415 -0.720) 7.714 5.504 ( 2.763 -1.548 -5.464) 6.315 5.551 ( 2.177 1.696 2.295) 3.589 5.586 ( -1.406 -0.424 -4.587) 4.816 5.617 ( 0.138 -1.104 -2.015) 2.302 5.653 ( 1.410 -0.533 -2.224) 2.687 5.679 ( -1.820 0.268 3.071) 3.580 5.729 ( -2.252 -0.177 -1.066) 2.498 5.763 ( -1.672 0.539 -3.694) 4.090 5.806 ( -0.901 -2.745 0.297) 2.904 5.827 ( 2.405 1.185 3.383) 4.316 5.841 ( -0.408 1.208 -3.772) 3.982 5.857 ( 2.234 -0.229 2.103) 3.077 5.928 ( -0.856 -2.002 -2.026) 2.974 5.969 ( -3.016 0.934 3.392) 4.634 5.980 ( -1.592 -0.992 -1.612) 2.473 6.026 ( 0.786 0.113 0.814) 1.137 6.089 ( -3.083 2.521 6.087) 7.274 6.130 ( -1.921 3.820 1.133) 4.423 6.206 ( -1.409 -2.115 3.572) 4.384 6.231 ( -1.764 0.872 3.629) 4.129 6.288 ( -1.466 1.285 -0.033) 1.950 6.295 ( 0.571 -0.379 -3.822) 3.883 6.383 ( 1.327 -3.152 -5.520) 6.494 6.401 ( -1.505 -1.258 -0.471) 2.017 6.504 ( 1.722 4.200 -2.467) 5.167 6.613 ( 2.053 -0.011 -2.715) 3.404 6.629 ( -0.474 1.481 -0.996) 1.847 6.731 ( 2.601 3.593 -0.069) 4.436 6.779 ( 2.725 -1.376 -2.742) 4.103 6.811 ( 2.406 1.412 -1.629) 3.230 6.864 ( 2.319 -0.566 -1.634) 2.892 6.914 ( -1.359 0.558 -2.053) 2.525 6.924 ( -1.658 1.186 1.023) 2.280 6.960 ( 0.148 -2.156 -0.657) 2.259 7.006 ( 0.829 1.468 -0.322) 1.716 7.198 ( 1.673 -5.397 4.356) 7.134 7.912 ( 1.313 0.137 -4.364) 4.560 7.930 ( 2.492 -0.458 -1.400) 2.894 7.971 ( -2.499 0.111 0.486) 2.548 7.986 ( -0.919 -0.469 -1.667) 1.961 8.735 ( -3.110 1.142 6.127) 6.966 8.771 ( -1.950 0.140 4.243) 4.672 8.820 ( -0.159 2.799 4.980) 5.715 8.974 ( -7.428 -3.038 11.738) 14.219 9.350 ( 2.093 0.562 1.269) 2.511 9.409 ( 12.557 -2.346 -6.668) 14.410 9.462 ( -2.531 0.222 1.116) 2.775 9.712 ( -6.515 -11.865 3.222) 13.915 9.888 ( -0.113 0.034 1.162) 1.168 9.894 ( -0.182 -0.196 1.164) 1.194 9.912 ( 0.102 -0.440 2.395) 2.438 9.916 ( -0.025 -0.408 2.019) 2.060 10.353 ( 0.355 0.227 0.053) 0.424 10.393 ( -2.081 -1.832 -5.320) 5.999 10.417 ( -0.167 1.166 1.762) 2.119 10.591 ( 0.353 -8.330 -0.592) 8.359 10.753 ( -1.176 -2.035 6.147) 6.581 10.794 ( -0.577 -1.409 2.250) 2.717 10.864 ( -1.297 1.378 1.429) 2.371 10.989 ( 1.672 -1.834 -0.364) 2.509 11.009 ( -0.748 -1.675 -0.128) 1.839 11.086 ( 1.307 -2.308 -0.217) 2.661 11.218 ( -0.972 5.498 -1.010) 5.674 11.313 ( -2.908 5.539 -0.892) 6.319 11.408 ( 4.486 15.636 -3.654) 16.672 11.502 ( -1.444 4.942 -2.029) 5.534 11.728 ( -2.219 -0.421 -4.189) 4.760 11.756 ( 4.407 -0.843 -4.084) 6.067 ======================= Grid point 32 (17/45) ======================= q-point: (-0.25 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -7.077 14.153 13.905) 21.065 0.712 ( -12.136 14.360 10.182) 21.381 1.116 ( -0.703 -0.558 5.552) 5.624 1.232 ( -1.186 -1.227 11.162) 11.292 1.266 ( -1.641 6.773 10.175) 12.332 1.318 ( -7.245 9.058 11.317) 16.205 1.426 ( 1.613 -7.607 5.173) 9.340 1.502 ( 2.544 -6.536 1.769) 7.233 1.530 ( 4.042 1.266 3.976) 5.809 1.626 ( -0.529 -7.732 3.014) 8.316 1.725 ( 0.514 -4.099 3.049) 5.134 1.796 ( 1.914 2.354 2.223) 3.761 1.850 ( -2.543 -4.454 1.509) 5.346 1.904 ( 1.348 -1.486 0.598) 2.094 1.964 ( 2.263 0.630 -4.820) 5.362 2.090 ( -3.289 2.861 -0.366) 4.374 2.132 ( 1.729 -2.373 0.542) 2.986 2.152 ( -0.232 0.311 -5.718) 5.731 2.201 ( -4.956 -0.087 -1.494) 5.177 2.269 ( -1.183 0.833 1.106) 1.821 2.284 ( -2.797 -3.839 -3.947) 6.176 2.329 ( 0.737 0.689 0.347) 1.067 2.361 ( 0.805 3.749 -0.759) 3.909 2.420 ( 2.684 -3.008 -0.163) 4.035 2.496 ( -1.158 -1.089 -2.313) 2.807 2.508 ( 0.397 4.253 -0.104) 4.272 2.532 ( 0.749 0.456 -2.370) 2.527 2.580 ( 2.585 0.432 0.458) 2.660 2.613 ( -0.925 -2.344 -1.111) 2.754 2.670 ( -1.165 0.204 0.259) 1.211 2.742 ( 4.742 -3.100 4.045) 6.961 2.761 ( 1.706 4.613 4.939) 6.970 2.879 ( 2.946 -2.211 -0.046) 3.683 2.897 ( 1.428 -0.195 -1.547) 2.114 2.976 ( -2.248 -1.786 2.238) 3.640 2.984 ( 1.870 1.924 -1.051) 2.881 3.007 ( 2.637 0.588 -2.314) 3.557 3.028 ( -0.417 -1.158 -5.339) 5.479 3.071 ( 0.148 4.426 -1.271) 4.607 3.106 ( -2.977 3.556 -3.227) 5.650 3.157 ( 2.151 -5.730 -0.910) 6.188 3.201 ( -1.860 2.209 -0.974) 3.047 3.241 ( 0.062 -2.667 0.187) 2.675 3.270 ( -1.337 -1.108 0.274) 1.758 3.285 ( -0.455 0.237 -0.012) 0.513 3.359 ( -1.221 2.159 -1.069) 2.701 3.404 ( -0.011 -1.455 -0.860) 1.690 3.442 ( 0.236 -1.832 -2.794) 3.350 3.474 ( 0.288 0.049 -0.514) 0.591 3.500 ( -0.139 0.720 0.845) 1.119 3.534 ( 1.295 -1.023 -0.153) 1.657 3.581 ( 2.665 0.710 1.827) 3.308 3.618 ( -1.287 0.093 0.039) 1.290 3.638 ( 2.858 -0.476 -0.657) 2.971 3.653 ( -4.557 0.451 -1.789) 4.916 3.686 ( 2.795 1.959 0.766) 3.498 3.715 ( -2.622 -2.445 0.220) 3.592 3.741 ( 0.340 -2.983 -0.287) 3.016 3.773 ( -0.938 -1.781 -0.937) 2.221 3.807 ( 1.080 -3.442 1.388) 3.865 3.851 ( -0.491 -2.821 0.453) 2.899 3.909 ( 0.896 -4.039 0.401) 4.157 3.937 ( -1.108 2.319 -1.278) 2.870 3.975 ( -0.516 -1.301 -3.335) 3.617 3.999 ( 2.920 3.717 1.358) 4.918 4.065 ( 3.617 2.078 2.475) 4.851 4.092 ( -0.794 2.109 3.828) 4.442 4.104 ( 1.223 0.224 2.973) 3.222 4.142 ( -0.821 0.870 3.215) 3.431 4.182 ( -2.342 1.424 -0.782) 2.851 4.192 ( -1.224 -1.291 0.709) 1.915 4.255 ( -0.247 -2.258 2.791) 3.599 4.301 ( -2.417 1.270 0.656) 2.808 4.349 ( -1.699 1.185 1.399) 2.500 4.372 ( -2.012 2.265 -1.020) 3.197 4.426 ( -0.188 0.013 0.266) 0.327 4.506 ( 0.842 0.321 0.442) 1.004 4.509 ( 0.329 1.943 -0.295) 1.993 4.560 ( 2.522 -0.707 -4.499) 5.206 4.646 ( -1.360 -1.882 1.301) 2.662 4.670 ( 2.978 0.936 -2.884) 4.250 4.689 ( -0.198 -0.343 0.223) 0.454 4.715 ( 2.697 0.347 -1.996) 3.373 4.748 ( -2.834 3.849 -3.370) 5.849 4.786 ( -0.678 -1.033 -2.334) 2.641 4.862 ( 0.616 3.333 -1.020) 3.540 4.901 ( -4.659 0.259 0.877) 4.748 4.927 ( 2.617 -1.095 -2.445) 3.745 4.962 ( -1.654 -0.230 -1.525) 2.262 4.967 ( -1.583 2.963 0.162) 3.364 5.053 ( 1.819 1.040 1.066) 2.351 5.082 ( 0.378 -0.644 4.584) 4.645 5.111 ( 2.153 -1.547 -3.274) 4.213 5.155 ( 3.004 1.971 2.214) 4.220 5.205 ( 4.073 0.721 0.965) 4.247 5.244 ( -2.811 -0.388 -0.296) 2.853 5.336 ( -3.372 -0.664 0.691) 3.506 5.345 ( -3.280 2.113 -0.580) 3.945 5.367 ( 0.136 0.184 -4.828) 4.833 5.457 ( -3.037 2.137 -4.185) 5.596 5.532 ( -1.507 2.816 -1.345) 3.465 5.563 ( -0.998 0.324 -0.457) 1.145 5.590 ( -1.979 0.770 1.303) 2.492 5.614 ( 4.616 -1.787 -2.351) 5.480 5.656 ( 2.982 -1.896 -2.364) 4.251 5.701 ( -1.392 -2.323 -2.694) 3.820 5.717 ( 3.510 0.174 2.527) 4.328 5.750 ( 0.231 -2.242 3.889) 4.495 5.802 ( -0.659 0.514 -3.716) 3.809 5.830 ( 2.625 0.599 -0.828) 2.817 5.857 ( -0.082 1.020 -0.377) 1.090 5.901 ( 0.401 0.185 0.033) 0.443 5.918 ( -1.327 -1.727 1.907) 2.894 5.964 ( 2.164 0.434 -1.540) 2.691 5.985 ( 3.930 -0.153 1.386) 4.170 6.038 ( 1.030 0.844 -0.940) 1.630 6.078 ( 0.808 1.681 3.718) 4.160 6.090 ( -2.540 2.676 0.695) 3.754 6.173 ( -2.540 -1.374 2.170) 3.613 6.206 ( -1.664 1.819 1.500) 2.886 6.250 ( -1.785 1.103 -2.121) 2.984 6.291 ( 0.145 -0.475 -4.693) 4.719 6.361 ( -2.374 -1.545 0.172) 2.837 6.387 ( 1.010 -3.709 -3.386) 5.123 6.528 ( 1.085 6.029 -2.099) 6.475 6.607 ( -1.540 2.697 -1.022) 3.269 6.632 ( 0.813 -0.103 -0.319) 0.879 6.774 ( -1.978 -0.015 0.396) 2.017 6.788 ( 0.917 1.154 -1.591) 2.168 6.808 ( -1.044 1.759 -0.552) 2.118 6.878 ( -1.390 -0.092 0.516) 1.485 6.911 ( 2.455 0.377 -1.732) 3.029 6.937 ( 2.735 -0.597 -1.881) 3.373 6.987 ( 2.256 -1.115 -0.103) 2.518 7.029 ( 1.644 0.242 -2.116) 2.691 7.215 ( -1.905 -7.754 1.799) 8.184 7.917 ( -2.037 0.258 -0.210) 2.064 7.949 ( 1.778 -0.566 -2.050) 2.772 7.971 ( 1.871 -0.131 -0.578) 1.963 7.992 ( 3.113 -0.481 -0.309) 3.165 8.693 ( -2.662 0.532 7.901) 8.354 8.715 ( -4.628 0.302 3.532) 5.829 8.802 ( -2.297 2.107 5.330) 6.174 8.881 ( -5.606 -1.120 8.130) 9.939 9.306 ( -3.323 -0.425 4.124) 5.313 9.519 ( -7.148 -12.436 4.915) 15.163 9.574 ( 2.937 -4.306 1.024) 5.312 9.612 ( 8.464 -2.317 -3.823) 9.572 9.879 ( -1.124 -0.174 1.373) 1.783 9.882 ( -1.015 -0.060 0.679) 1.222 9.910 ( -0.994 -0.006 2.049) 2.277 9.920 ( -0.437 -0.418 2.456) 2.530 10.364 ( 0.450 0.161 0.646) 0.804 10.378 ( 1.919 -0.293 1.635) 2.538 10.410 ( -0.848 1.212 0.445) 1.545 10.567 ( -1.860 -4.149 -4.115) 6.132 10.748 ( -1.272 -3.702 6.102) 7.250 10.781 ( -1.189 -2.001 3.150) 3.917 10.846 ( -0.608 1.073 0.280) 1.264 10.991 ( -0.758 -4.541 -0.231) 4.610 11.029 ( 1.858 1.396 0.287) 2.341 11.120 ( 1.848 -0.780 0.737) 2.137 11.188 ( -1.894 4.956 -1.182) 5.435 11.234 ( -2.558 5.556 -0.458) 6.134 11.496 ( 0.557 1.975 -2.258) 3.051 11.571 ( 9.568 10.390 -7.304) 15.901 11.683 ( 3.102 7.595 -6.757) 10.628 11.848 ( 4.903 0.653 -4.957) 7.003 ======================= Grid point 33 (18/45) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( -3.459 -8.981 9.989) 13.871 0.888 ( -3.459 8.981 9.989) 13.871 1.044 ( 0.504 -9.067 12.396) 15.367 1.044 ( 0.504 9.067 12.396) 15.367 1.333 ( -0.122 -4.702 -0.979) 4.804 1.333 ( -0.122 4.702 -0.979) 4.804 1.425 ( -2.569 -4.187 4.016) 6.345 1.425 ( -2.569 4.187 4.016) 6.345 1.621 ( -2.866 -11.069 -0.798) 11.462 1.621 ( -2.866 11.069 -0.798) 11.462 1.788 ( 2.748 -5.953 6.809) 9.453 1.788 ( 2.748 5.953 6.809) 9.453 1.888 ( -3.749 -6.766 4.705) 9.054 1.888 ( -3.749 6.766 4.705) 9.054 1.945 ( 0.139 -2.423 2.020) 3.157 1.945 ( 0.139 2.423 2.020) 3.157 2.122 ( 4.107 -1.629 1.728) 4.744 2.122 ( 4.107 1.629 1.728) 4.744 2.198 ( 3.461 -3.593 -1.814) 5.308 2.198 ( 3.461 3.593 -1.814) 5.308 2.322 ( -1.166 -1.477 -3.261) 3.765 2.322 ( -1.166 1.477 -3.261) 3.765 2.433 ( -0.852 -3.097 0.239) 3.221 2.433 ( -0.852 3.097 0.239) 3.221 2.465 ( 3.470 -5.058 -4.235) 7.454 2.465 ( 3.470 5.058 -4.235) 7.454 2.560 ( 1.599 -0.950 1.404) 2.330 2.560 ( 1.599 0.950 1.404) 2.330 2.661 ( -2.211 -6.505 -2.889) 7.453 2.661 ( -2.211 6.505 -2.889) 7.453 2.782 ( -0.803 -3.857 4.419) 5.920 2.782 ( -0.803 3.857 4.419) 5.920 2.864 ( -3.572 -4.187 -5.037) 7.461 2.864 ( -3.572 4.187 -5.037) 7.461 2.972 ( -0.323 -2.205 -0.905) 2.405 2.972 ( -0.323 2.205 -0.905) 2.405 3.069 ( -3.000 -4.600 -0.340) 5.502 3.069 ( -3.000 4.600 -0.340) 5.502 3.084 ( 2.297 -2.147 1.526) 3.495 3.084 ( 2.297 2.147 1.526) 3.495 3.187 ( -0.220 -1.685 -1.549) 2.300 3.187 ( -0.220 1.685 -1.549) 2.300 3.240 ( 0.145 -3.263 -1.791) 3.725 3.240 ( 0.145 3.263 -1.791) 3.725 3.293 ( 0.419 -0.786 1.344) 1.613 3.293 ( 0.419 0.786 1.344) 1.613 3.410 ( 1.896 -2.546 0.748) 3.261 3.410 ( 1.896 2.546 0.748) 3.261 3.520 ( -0.833 -1.047 -1.827) 2.265 3.520 ( -0.833 1.047 -1.827) 2.265 3.568 ( 0.177 -2.786 0.726) 2.885 3.568 ( 0.177 2.786 0.726) 2.885 3.627 ( -0.768 -1.625 0.715) 1.934 3.627 ( -0.768 1.625 0.715) 1.934 3.686 ( 0.277 -2.836 2.481) 3.779 3.686 ( 0.277 2.836 2.481) 3.779 3.720 ( 4.007 -2.516 -2.246) 5.238 3.720 ( 4.007 2.516 -2.246) 5.238 3.754 ( -0.717 -2.203 0.690) 2.417 3.754 ( -0.717 2.203 0.690) 2.417 3.854 ( 1.361 -1.842 1.049) 2.519 3.854 ( 1.361 1.842 1.049) 2.519 3.950 ( 1.513 -2.724 -2.268) 3.854 3.950 ( 1.513 2.724 -2.268) 3.854 4.047 ( -3.071 -1.173 -0.615) 3.344 4.047 ( -3.071 1.173 -0.615) 3.344 4.121 ( -2.431 -5.561 0.766) 6.117 4.121 ( -2.431 5.561 0.766) 6.117 4.156 ( 0.502 -1.032 3.313) 3.506 4.156 ( 0.502 1.032 3.313) 3.506 4.250 ( -0.833 -1.779 0.369) 1.999 4.250 ( -0.833 1.779 0.369) 1.999 4.270 ( -0.108 -0.975 3.596) 3.727 4.270 ( -0.108 0.975 3.596) 3.727 4.428 ( 1.891 -2.514 2.390) 3.951 4.428 ( 1.891 2.514 2.390) 3.951 4.527 ( -2.804 -2.897 -4.499) 6.041 4.527 ( -2.804 2.897 -4.499) 6.041 4.603 ( 1.235 -2.929 -0.315) 3.195 4.603 ( 1.235 2.929 -0.315) 3.195 4.679 ( 1.990 -2.164 1.150) 3.157 4.679 ( 1.990 2.164 1.150) 3.157 4.738 ( -1.035 -0.906 -1.431) 1.985 4.738 ( -1.035 0.906 -1.431) 1.985 4.774 ( -0.592 -3.687 -3.312) 4.991 4.774 ( -0.592 3.687 -3.312) 4.991 4.873 ( -2.431 -3.495 -3.368) 5.429 4.873 ( -2.431 3.495 -3.368) 5.429 5.034 ( 3.604 -1.883 -0.016) 4.066 5.034 ( 3.604 1.883 -0.016) 4.066 5.105 ( -2.582 -2.760 -1.489) 4.062 5.105 ( -2.582 2.760 -1.489) 4.062 5.135 ( 2.614 -0.375 -1.322) 2.953 5.135 ( 2.614 0.375 -1.322) 2.953 5.247 ( -0.068 -0.992 0.413) 1.076 5.247 ( -0.068 0.992 0.413) 1.076 5.281 ( -1.871 -3.527 5.144) 6.512 5.281 ( -1.871 3.527 5.144) 6.512 5.439 ( 1.790 -3.019 -7.372) 8.165 5.439 ( 1.790 3.019 -7.372) 8.165 5.558 ( -0.336 -2.529 -0.320) 2.571 5.558 ( -0.336 2.529 -0.320) 2.571 5.586 ( -2.034 -1.766 -1.371) 3.023 5.586 ( -2.034 1.766 -1.371) 3.023 5.641 ( -0.096 -1.309 -0.189) 1.327 5.641 ( -0.096 1.309 -0.189) 1.327 5.739 ( -0.363 -0.519 3.917) 3.968 5.739 ( -0.363 0.519 3.917) 3.968 5.832 ( 1.659 -1.696 -2.115) 3.178 5.832 ( 1.659 1.696 -2.115) 3.178 5.921 ( 1.021 -1.423 -1.200) 2.123 5.921 ( 1.021 1.423 -1.200) 2.123 5.990 ( 2.171 -3.508 0.469) 4.152 5.990 ( 2.171 3.508 0.469) 4.152 6.058 ( -0.125 -2.452 3.214) 4.045 6.058 ( -0.125 2.452 3.214) 4.045 6.116 ( 1.611 -2.679 -1.691) 3.554 6.116 ( 1.611 2.679 -1.691) 3.554 6.146 ( 1.117 -1.818 -0.130) 2.138 6.146 ( 1.117 1.818 -0.130) 2.138 6.274 ( 0.537 -1.680 -1.920) 2.606 6.274 ( 0.537 1.680 -1.920) 2.606 6.335 ( 0.115 -1.511 -1.128) 1.889 6.335 ( 0.115 1.511 -1.128) 1.889 6.611 ( -0.482 -1.905 -0.894) 2.159 6.611 ( -0.482 1.905 -0.894) 2.159 6.667 ( -1.203 -5.667 -0.596) 5.824 6.667 ( -1.203 5.667 -0.596) 5.824 6.774 ( -1.903 -1.475 -0.954) 2.590 6.774 ( -1.903 1.475 -0.954) 2.590 6.930 ( -0.465 -2.959 -0.061) 2.996 6.930 ( -0.465 2.959 -0.061) 2.996 6.999 ( 1.724 -2.000 0.780) 2.753 6.999 ( 1.724 2.000 0.780) 2.753 7.041 ( -1.593 -3.063 -2.169) 4.077 7.041 ( -1.593 3.063 -2.169) 4.077 7.904 ( -0.632 -1.077 -1.678) 2.092 7.904 ( -0.632 1.077 -1.678) 2.092 8.027 ( 0.853 -0.262 0.527) 1.037 8.027 ( 0.853 0.262 0.527) 1.037 8.701 ( 2.945 -1.847 5.069) 6.147 8.701 ( 2.945 1.847 5.069) 6.147 8.811 ( -1.823 -0.469 5.650) 5.955 8.811 ( -1.823 0.469 5.650) 5.955 9.243 ( -3.840 -0.687 7.531) 8.482 9.243 ( -3.840 0.687 7.531) 8.482 9.700 ( 3.349 -2.609 -1.948) 4.671 9.700 ( 3.349 2.609 -1.948) 4.671 9.867 ( -0.498 -0.245 0.408) 0.688 9.867 ( -0.498 0.245 0.408) 0.688 9.900 ( -0.977 -0.342 2.860) 3.042 9.900 ( -0.977 0.342 2.860) 3.042 10.393 ( 0.578 -2.153 1.493) 2.683 10.393 ( 0.578 2.153 1.493) 2.683 10.437 ( -0.951 -2.861 -1.377) 3.314 10.437 ( -0.951 2.861 -1.377) 3.314 10.738 ( -0.028 -1.590 4.367) 4.648 10.738 ( -0.028 1.590 4.367) 4.648 10.890 ( 0.134 -3.485 -0.256) 3.497 10.890 ( 0.134 3.485 -0.256) 3.497 11.095 ( -1.374 -2.849 -0.476) 3.199 11.095 ( -1.374 2.849 -0.476) 3.199 11.252 ( 1.722 -1.973 0.291) 2.635 11.252 ( 1.722 1.973 0.291) 2.635 11.552 ( 0.318 -3.550 -2.935) 4.617 11.552 ( 0.318 3.550 -2.935) 4.617 11.897 ( 0.281 -0.961 -10.174) 10.223 11.897 ( 0.281 0.961 -10.174) 10.223 ======================= Grid point 35 (19/45) ======================= q-point: ( 0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 2.994 -4.879 8.654) 10.376 0.917 ( 2.994 4.879 8.654) 10.376 1.114 ( 3.327 -3.400 9.953) 11.032 1.114 ( 3.327 3.400 9.953) 11.032 1.293 ( -4.674 -7.680 0.101) 8.991 1.293 ( -4.674 7.680 0.101) 8.991 1.384 ( -3.049 -6.153 5.537) 8.821 1.384 ( -3.049 6.153 5.537) 8.821 1.553 ( -2.862 -6.393 2.179) 7.336 1.553 ( -2.862 6.393 2.179) 7.336 1.812 ( -0.315 -2.345 3.293) 4.055 1.812 ( -0.315 2.345 3.293) 4.055 1.892 ( -0.174 -1.449 -4.681) 4.903 1.892 ( -0.174 1.449 -4.681) 4.903 1.970 ( 3.413 -12.551 7.950) 15.243 1.970 ( 3.413 12.551 7.950) 15.243 2.168 ( 0.172 -4.911 2.312) 5.431 2.168 ( 0.172 4.911 2.312) 5.431 2.267 ( 0.251 -1.638 0.213) 1.671 2.267 ( 0.251 1.638 0.213) 1.671 2.308 ( 1.807 -1.202 -1.840) 2.845 2.308 ( 1.807 1.202 -1.840) 2.845 2.416 ( -1.104 -2.530 -0.857) 2.890 2.416 ( -1.104 2.530 -0.857) 2.890 2.518 ( 1.854 -0.503 -2.157) 2.889 2.518 ( 1.854 0.503 -2.157) 2.889 2.568 ( -0.421 -3.596 -0.514) 3.657 2.568 ( -0.421 3.596 -0.514) 3.657 2.653 ( 2.043 -4.581 -0.654) 5.059 2.653 ( 2.043 4.581 -0.654) 5.059 2.747 ( -2.830 -3.973 -0.468) 4.901 2.747 ( -2.830 3.973 -0.468) 4.901 2.792 ( 0.129 -3.594 -0.116) 3.598 2.792 ( 0.129 3.594 -0.116) 3.598 2.923 ( -4.334 -4.869 -0.704) 6.557 2.923 ( -4.334 4.869 -0.704) 6.557 3.026 ( -2.458 -2.160 -2.663) 4.219 3.026 ( -2.458 2.160 -2.663) 4.219 3.108 ( 0.448 -4.469 0.232) 4.498 3.108 ( 0.448 4.469 0.232) 4.498 3.196 ( -0.996 -5.371 0.015) 5.463 3.196 ( -0.996 5.371 0.015) 5.463 3.243 ( 2.405 -1.179 0.142) 2.683 3.243 ( 2.405 1.179 0.142) 2.683 3.317 ( 2.086 -3.097 -0.251) 3.742 3.317 ( 2.086 3.097 -0.251) 3.742 3.421 ( -1.226 -1.335 -3.203) 3.680 3.421 ( -1.226 1.335 -3.203) 3.680 3.507 ( 1.534 -1.302 -0.344) 2.041 3.507 ( 1.534 1.302 -0.344) 2.041 3.556 ( -2.490 -0.910 1.870) 3.245 3.556 ( -2.490 0.910 1.870) 3.245 3.618 ( -0.196 -1.073 -0.614) 1.252 3.618 ( -0.196 1.073 -0.614) 1.252 3.675 ( -2.263 -4.651 1.241) 5.319 3.675 ( -2.263 4.651 1.241) 5.319 3.742 ( 0.887 -1.245 2.507) 2.936 3.742 ( 0.887 1.245 2.507) 2.936 3.802 ( 1.984 -3.213 0.941) 3.891 3.802 ( 1.984 3.213 0.941) 3.891 3.880 ( 0.094 -1.906 0.259) 1.926 3.880 ( 0.094 1.906 0.259) 1.926 3.926 ( -0.711 -6.107 -0.351) 6.159 3.926 ( -0.711 6.107 -0.351) 6.159 4.034 ( 0.732 -2.795 0.423) 2.920 4.034 ( 0.732 2.795 0.423) 2.920 4.106 ( -0.701 -6.332 0.606) 6.399 4.106 ( -0.701 6.332 0.606) 6.399 4.152 ( 0.600 -0.814 1.293) 1.642 4.152 ( 0.600 0.814 1.293) 1.642 4.224 ( -4.231 -1.818 4.550) 6.473 4.224 ( -4.231 1.818 4.550) 6.473 4.312 ( 2.249 -3.671 1.352) 4.512 4.312 ( 2.249 3.671 1.352) 4.512 4.412 ( 0.473 -1.738 -3.357) 3.809 4.412 ( 0.473 1.738 -3.357) 3.809 4.513 ( 2.051 -1.862 -1.596) 3.197 4.513 ( 2.051 1.862 -1.596) 3.197 4.580 ( -2.053 -2.020 0.553) 2.933 4.580 ( -2.053 2.020 0.553) 2.933 4.680 ( -2.710 -2.326 -0.059) 3.572 4.680 ( -2.710 2.326 -0.059) 3.572 4.775 ( 0.554 -3.837 -3.813) 5.437 4.775 ( 0.554 3.837 -3.813) 5.437 4.829 ( 8.067 -1.502 -5.285) 9.760 4.829 ( 8.067 1.502 -5.285) 9.760 4.857 ( 3.258 -0.853 0.411) 3.393 4.857 ( 3.258 0.853 0.411) 3.393 4.999 ( -6.324 -4.408 -4.381) 8.867 4.999 ( -6.324 4.408 -4.381) 8.867 5.075 ( 0.550 -1.341 -0.487) 1.529 5.075 ( 0.550 1.341 -0.487) 1.529 5.151 ( -1.728 -2.916 4.022) 5.260 5.151 ( -1.728 2.916 4.022) 5.260 5.212 ( -0.935 -2.672 2.904) 4.056 5.212 ( -0.935 2.672 2.904) 4.056 5.337 ( 3.047 -4.334 -0.228) 5.303 5.337 ( 3.047 4.334 -0.228) 5.303 5.465 ( 2.747 -0.611 -6.757) 7.320 5.465 ( 2.747 0.611 -6.757) 7.320 5.524 ( -1.906 -2.057 0.250) 2.815 5.524 ( -1.906 2.057 0.250) 2.815 5.597 ( 2.499 -2.739 -0.309) 3.720 5.597 ( 2.499 2.739 -0.309) 3.720 5.617 ( -1.054 -1.662 -0.934) 2.178 5.617 ( -1.054 1.662 -0.934) 2.178 5.743 ( -0.367 -0.844 0.250) 0.954 5.743 ( -0.367 0.844 0.250) 0.954 5.838 ( -1.212 -0.943 -0.050) 1.537 5.838 ( -1.212 0.943 -0.050) 1.537 5.908 ( -1.646 -1.739 -1.343) 2.745 5.908 ( -1.646 1.739 -1.343) 2.745 5.963 ( -3.097 -4.612 1.593) 5.779 5.963 ( -3.097 4.612 1.593) 5.779 6.042 ( -1.932 -1.568 1.997) 3.191 6.042 ( -1.932 1.568 1.997) 3.191 6.153 ( 0.508 -2.122 3.186) 3.861 6.153 ( 0.508 2.122 3.186) 3.861 6.209 ( 3.155 -2.971 -0.261) 4.342 6.209 ( 3.155 2.971 -0.261) 4.342 6.277 ( 0.150 -1.282 -0.915) 1.583 6.277 ( 0.150 1.282 -0.915) 1.583 6.359 ( 3.033 -2.543 -2.404) 4.631 6.359 ( 3.033 2.543 -2.404) 4.631 6.572 ( -2.096 -3.378 -1.942) 4.424 6.572 ( -2.096 3.378 -1.942) 4.424 6.673 ( 1.566 -3.975 -0.988) 4.385 6.673 ( 1.566 3.975 -0.988) 4.385 6.771 ( 2.275 -1.970 -2.871) 4.159 6.771 ( 2.275 1.970 -2.871) 4.159 6.897 ( -2.081 -4.099 -0.630) 4.640 6.897 ( -2.081 4.099 -0.630) 4.640 6.980 ( -2.083 -0.420 -0.249) 2.139 6.980 ( -2.083 0.420 -0.249) 2.139 7.056 ( 1.474 -4.657 1.107) 5.009 7.056 ( 1.474 4.657 1.107) 5.009 7.899 ( 0.742 -0.456 -2.422) 2.574 7.899 ( 0.742 0.456 -2.422) 2.574 8.013 ( -1.842 -0.265 0.175) 1.869 8.013 ( -1.842 0.265 0.175) 1.869 8.771 ( -0.078 -0.498 4.470) 4.499 8.771 ( -0.078 0.498 4.470) 4.499 8.857 ( 4.718 -6.088 6.751) 10.242 8.857 ( 4.718 6.088 6.751) 10.242 9.237 ( 2.456 -2.374 3.561) 4.935 9.237 ( 2.456 2.374 3.561) 4.935 9.667 ( -6.076 -5.298 0.057) 8.061 9.667 ( -6.076 5.298 0.057) 8.061 9.875 ( 1.031 -0.144 0.657) 1.231 9.875 ( 1.031 0.144 0.657) 1.231 9.903 ( 0.163 -0.161 2.217) 2.229 9.903 ( 0.163 0.161 2.217) 2.229 10.382 ( -1.147 -2.659 -1.462) 3.244 10.382 ( -1.147 2.659 -1.462) 3.244 10.442 ( 0.941 -2.281 1.945) 3.142 10.442 ( 0.941 2.281 1.945) 3.142 10.758 ( 0.382 -1.386 3.965) 4.217 10.758 ( 0.382 1.386 3.965) 4.217 10.904 ( 1.311 -2.720 0.286) 3.033 10.904 ( 1.311 2.720 0.286) 3.033 11.050 ( -2.373 -2.254 -1.065) 3.442 11.050 ( -2.373 2.254 -1.065) 3.442 11.301 ( 2.402 -2.486 0.286) 3.469 11.301 ( 2.402 2.486 0.286) 3.469 11.561 ( 1.907 -5.254 -3.367) 6.525 11.561 ( 1.907 5.254 -3.367) 6.525 11.802 ( -5.933 -2.977 -7.951) 10.357 11.802 ( -5.933 2.977 -7.951) 10.357 ======================= Grid point 37 (20/45) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 0.635 -3.443 8.037) 8.766 0.992 ( 0.635 3.443 8.037) 8.766 1.130 ( -6.589 -8.956 5.484) 12.398 1.130 ( -6.589 8.956 5.484) 12.398 1.252 ( 2.762 -1.776 5.073) 6.043 1.252 ( 2.762 1.776 5.073) 6.043 1.379 ( 1.760 -5.351 5.562) 7.916 1.379 ( 1.760 5.351 5.562) 7.916 1.557 ( 1.319 -4.746 6.275) 7.978 1.557 ( 1.319 4.746 6.275) 7.978 1.800 ( -2.451 -2.731 -3.278) 4.920 1.800 ( -2.451 2.731 -3.278) 4.920 1.842 ( -1.119 -4.150 -1.856) 4.682 1.842 ( -1.119 4.150 -1.856) 4.682 2.067 ( 2.932 -6.583 3.013) 7.811 2.067 ( 2.932 6.583 3.013) 7.811 2.130 ( -5.119 -7.988 2.443) 9.797 2.130 ( -5.119 7.988 2.443) 9.797 2.238 ( -1.640 -1.392 -1.838) 2.830 2.238 ( -1.640 1.392 -1.838) 2.830 2.325 ( 0.294 -3.243 2.111) 3.881 2.325 ( 0.294 3.243 2.111) 3.881 2.406 ( 0.082 -4.018 -1.826) 4.414 2.406 ( 0.082 4.018 -1.826) 4.414 2.505 ( -2.722 -6.925 -3.258) 8.123 2.505 ( -2.722 6.925 -3.258) 8.123 2.565 ( 1.767 -1.473 0.435) 2.341 2.565 ( 1.767 1.473 0.435) 2.341 2.666 ( -1.358 -4.790 -2.524) 5.582 2.666 ( -1.358 4.790 -2.524) 5.582 2.740 ( 1.638 -7.463 -0.298) 7.646 2.740 ( 1.638 7.463 -0.298) 7.646 2.831 ( 1.593 -5.054 2.791) 5.989 2.831 ( 1.593 5.054 2.791) 5.989 2.901 ( 3.447 -6.524 1.802) 7.596 2.901 ( 3.447 6.524 1.802) 7.596 2.996 ( 1.626 -5.199 -1.647) 5.691 2.996 ( 1.626 5.199 -1.647) 5.691 3.094 ( -1.307 -2.378 -0.627) 2.785 3.094 ( -1.307 2.378 -0.627) 2.785 3.182 ( 0.020 -5.443 0.408) 5.458 3.182 ( 0.020 5.443 0.408) 5.458 3.259 ( -1.312 -3.964 0.099) 4.177 3.259 ( -1.312 3.964 0.099) 4.177 3.346 ( -0.218 -5.520 -1.168) 5.647 3.346 ( -0.218 5.520 -1.168) 5.647 3.411 ( 1.385 -2.133 -2.723) 3.726 3.411 ( 1.385 2.133 -2.723) 3.726 3.510 ( -1.288 -1.525 -0.067) 1.997 3.510 ( -1.288 1.525 -0.067) 1.997 3.540 ( 0.799 -2.773 -0.651) 2.959 3.540 ( 0.799 2.773 -0.651) 2.959 3.606 ( -0.548 -1.446 -1.478) 2.139 3.606 ( -0.548 1.446 -1.478) 2.139 3.660 ( 1.327 -2.187 -0.140) 2.562 3.660 ( 1.327 2.187 -0.140) 2.562 3.747 ( -1.518 -1.319 2.055) 2.875 3.747 ( -1.518 1.319 2.055) 2.875 3.786 ( -2.459 -2.611 1.678) 3.959 3.786 ( -2.459 2.611 1.678) 3.959 3.858 ( -1.800 -4.160 0.970) 4.635 3.858 ( -1.800 4.160 0.970) 4.635 3.970 ( 1.077 -2.003 3.518) 4.189 3.970 ( 1.077 2.003 3.518) 4.189 4.036 ( 0.177 -2.327 -0.758) 2.454 4.036 ( 0.177 2.327 -0.758) 2.454 4.114 ( 1.005 -3.045 2.215) 3.897 4.114 ( 1.005 3.045 2.215) 3.897 4.136 ( -0.810 -2.455 1.431) 2.955 4.136 ( -0.810 2.455 1.431) 2.955 4.185 ( -0.846 -2.152 2.237) 3.217 4.185 ( -0.846 2.152 2.237) 3.217 4.335 ( 1.324 -2.991 1.389) 3.554 4.335 ( 1.324 2.991 1.389) 3.554 4.480 ( 1.634 -2.578 -1.849) 3.569 4.480 ( 1.634 2.578 -1.849) 3.569 4.507 ( -1.545 -3.928 -1.595) 4.512 4.507 ( -1.545 3.928 -1.595) 4.512 4.569 ( 1.952 -3.518 -0.100) 4.025 4.569 ( 1.952 3.518 -0.100) 4.025 4.662 ( 1.875 -6.695 -2.950) 7.553 4.662 ( 1.875 6.695 -2.950) 7.553 4.739 ( -3.177 -1.705 -5.145) 6.283 4.739 ( -3.177 1.705 -5.145) 6.283 4.842 ( 0.259 -0.611 -2.213) 2.310 4.842 ( 0.259 0.611 -2.213) 2.310 4.934 ( 1.117 -4.349 -3.902) 5.949 4.934 ( 1.117 4.349 -3.902) 5.949 5.006 ( 4.371 -1.998 0.605) 4.844 5.006 ( 4.371 1.998 0.605) 4.844 5.065 ( -2.429 -1.651 1.836) 3.463 5.065 ( -2.429 1.651 1.836) 3.463 5.122 ( 1.272 -2.702 0.388) 3.011 5.122 ( 1.272 2.702 0.388) 3.011 5.195 ( -2.247 -2.104 3.148) 4.402 5.195 ( -2.247 2.104 3.148) 4.402 5.378 ( -0.035 -0.966 -2.568) 2.744 5.378 ( -0.035 0.966 -2.568) 2.744 5.450 ( 1.428 -2.510 -3.801) 4.774 5.450 ( 1.428 2.510 -3.801) 4.774 5.543 ( -0.915 -3.289 0.505) 3.451 5.543 ( -0.915 3.289 0.505) 3.451 5.588 ( 1.677 -0.501 -2.500) 3.052 5.588 ( 1.677 0.501 -2.500) 3.052 5.660 ( 1.578 -1.198 -0.327) 2.008 5.660 ( 1.578 1.198 -0.327) 2.008 5.713 ( -2.183 -1.559 1.227) 2.950 5.713 ( -2.183 1.559 1.227) 2.950 5.828 ( 1.510 -0.774 0.605) 1.802 5.828 ( 1.510 0.774 0.605) 1.802 5.873 ( -1.166 -2.892 -0.289) 3.132 5.873 ( -1.166 2.892 -0.289) 3.132 5.924 ( -1.740 -3.901 -1.452) 4.512 5.924 ( -1.740 3.901 -1.452) 4.512 6.008 ( -1.857 -2.012 3.149) 4.173 6.008 ( -1.857 2.012 3.149) 4.173 6.149 ( -1.895 -2.788 4.906) 5.953 6.149 ( -1.895 2.788 4.906) 5.953 6.226 ( -0.823 -4.125 -1.039) 4.333 6.226 ( -0.823 4.125 -1.039) 4.333 6.273 ( -0.163 -1.488 -0.446) 1.562 6.273 ( -0.163 1.488 -0.446) 1.562 6.379 ( -0.577 -1.430 -3.901) 4.195 6.379 ( -0.577 1.430 -3.901) 4.195 6.572 ( 2.315 -2.461 -0.743) 3.460 6.572 ( 2.315 2.461 -0.743) 3.460 6.694 ( 0.832 -3.845 -1.835) 4.341 6.694 ( 0.832 3.845 -1.835) 4.341 6.826 ( 3.955 -2.181 -3.533) 5.734 6.826 ( 3.955 2.181 -3.533) 5.734 6.880 ( 0.503 -3.600 -0.972) 3.763 6.880 ( 0.503 3.600 -0.972) 3.763 6.937 ( -2.177 -0.122 0.135) 2.185 6.937 ( -2.177 0.122 0.135) 2.185 7.079 ( 0.468 -5.266 2.385) 5.800 7.079 ( 0.468 5.266 2.385) 5.800 7.919 ( 2.179 -0.543 -2.447) 3.321 7.919 ( 2.179 0.543 -2.447) 3.321 7.976 ( -1.952 -0.403 -0.337) 2.022 7.976 ( -1.952 0.403 -0.337) 2.022 8.762 ( -2.282 -1.071 4.722) 5.352 8.762 ( -2.282 1.071 4.722) 5.352 8.896 ( -2.689 -4.109 7.837) 9.248 8.896 ( -2.689 4.109 7.837) 9.248 9.370 ( 9.642 -1.288 -1.865) 9.904 9.370 ( 9.642 1.288 -1.865) 9.904 9.515 ( -9.063 -5.910 2.297) 11.061 9.515 ( -9.063 5.910 2.297) 11.061 9.891 ( -0.044 -0.178 0.936) 0.954 9.891 ( -0.044 0.178 0.936) 0.954 9.911 ( 0.129 -0.173 1.814) 1.827 9.911 ( 0.129 0.173 1.814) 1.827 10.365 ( -0.157 -0.999 -0.856) 1.325 10.365 ( -0.157 0.999 -0.856) 1.325 10.462 ( 0.408 -3.598 1.555) 3.940 10.462 ( 0.408 3.598 1.555) 3.940 10.761 ( -1.199 -1.473 3.368) 3.867 10.761 ( -1.199 1.473 3.368) 3.867 10.919 ( -0.468 -3.260 -0.018) 3.294 10.919 ( -0.468 3.260 -0.018) 3.294 11.033 ( 1.413 -2.348 0.006) 2.740 11.033 ( 1.413 2.348 0.006) 2.740 11.311 ( -1.364 -3.215 -1.318) 3.733 11.311 ( -1.364 3.215 -1.318) 3.733 11.588 ( 0.288 -0.508 -4.001) 4.043 11.588 ( 0.288 0.508 -4.001) 4.043 11.727 ( 2.622 -1.244 -4.526) 5.377 11.727 ( 2.622 1.244 -4.526) 5.377 ======================= Grid point 39 (21/45) ======================= q-point: (-0.25 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -5.651 -8.751 8.632) 13.529 0.963 ( -5.651 8.751 8.632) 13.529 1.037 ( -4.418 -8.311 11.387) 14.774 1.037 ( -4.418 8.311 11.387) 14.774 1.314 ( 2.352 -1.053 0.337) 2.599 1.314 ( 2.352 1.053 0.337) 2.599 1.445 ( 0.660 -4.930 4.080) 6.434 1.445 ( 0.660 4.930 4.080) 6.434 1.611 ( 3.281 -2.842 1.954) 4.760 1.611 ( 3.281 2.842 1.954) 4.760 1.746 ( -2.117 -13.392 5.441) 14.610 1.746 ( -2.117 13.392 5.441) 14.610 1.870 ( 4.279 -1.053 2.498) 5.065 1.870 ( 4.279 1.053 2.498) 5.065 1.993 ( -7.235 -7.148 3.269) 10.683 1.993 ( -7.235 7.148 3.269) 10.683 2.127 ( -0.242 -2.845 -3.729) 4.696 2.127 ( -0.242 2.845 -3.729) 4.696 2.175 ( -2.220 -1.484 -2.036) 3.358 2.175 ( -2.220 1.484 -2.036) 3.358 2.336 ( 0.152 -1.463 -1.338) 1.988 2.336 ( 0.152 1.463 -1.338) 1.988 2.397 ( 1.419 -0.730 -0.227) 1.612 2.397 ( 1.419 0.730 -0.227) 1.612 2.488 ( -0.184 -2.349 -2.151) 3.190 2.488 ( -0.184 2.349 -2.151) 3.190 2.550 ( -1.669 -3.376 -3.800) 5.350 2.550 ( -1.669 3.376 -3.800) 5.350 2.677 ( 1.510 -1.654 2.459) 3.326 2.677 ( 1.510 1.654 2.459) 3.326 2.761 ( 0.832 -7.738 0.659) 7.810 2.761 ( 0.832 7.738 0.659) 7.810 2.865 ( 2.152 -2.228 -1.368) 3.386 2.865 ( 2.152 2.228 -1.368) 3.386 2.972 ( 3.260 -2.993 1.720) 4.748 2.972 ( 3.260 2.993 1.720) 4.748 3.037 ( -0.585 -3.184 -1.129) 3.428 3.037 ( -0.585 3.184 -1.129) 3.428 3.116 ( 3.085 -7.177 2.276) 8.137 3.116 ( 3.085 7.177 2.276) 8.137 3.190 ( -1.427 -2.110 1.453) 2.933 3.190 ( -1.427 2.110 1.453) 2.933 3.236 ( 1.628 -2.671 -0.986) 3.280 3.236 ( 1.628 2.671 -0.986) 3.280 3.293 ( -3.127 -3.507 -2.302) 5.232 3.293 ( -3.127 3.507 -2.302) 5.232 3.412 ( -1.411 -2.077 -0.222) 2.521 3.412 ( -1.411 2.077 -0.222) 2.521 3.495 ( 1.001 -2.540 0.312) 2.748 3.495 ( 1.001 2.540 0.312) 2.748 3.572 ( 1.515 -3.925 -1.634) 4.513 3.572 ( 1.515 3.925 -1.634) 4.513 3.618 ( 3.034 -2.703 -3.085) 5.102 3.618 ( 3.034 2.703 -3.085) 5.102 3.665 ( -1.185 -2.502 -1.456) 3.128 3.665 ( -1.185 2.502 -1.456) 3.128 3.722 ( -2.973 -2.030 1.348) 3.844 3.722 ( -2.973 2.030 1.348) 3.844 3.762 ( 0.634 -4.036 1.294) 4.286 3.762 ( 0.634 4.036 1.294) 4.286 3.827 ( -0.218 -2.999 1.545) 3.380 3.827 ( -0.218 2.999 1.545) 3.380 3.951 ( -2.084 -0.443 0.113) 2.134 3.951 ( -2.084 0.443 0.113) 2.134 4.067 ( 2.569 -1.416 2.321) 3.741 4.067 ( 2.569 1.416 2.321) 3.741 4.132 ( -1.733 -2.012 2.166) 3.427 4.132 ( -1.733 2.012 2.166) 3.427 4.163 ( 0.812 -1.023 1.354) 1.881 4.163 ( 0.812 1.023 1.354) 1.881 4.205 ( 3.156 -1.774 3.692) 5.171 4.205 ( 3.156 1.774 3.692) 5.171 4.326 ( -3.396 -2.134 0.391) 4.030 4.326 ( -3.396 2.134 0.391) 4.030 4.410 ( -2.637 -2.124 -2.233) 4.057 4.410 ( -2.637 2.124 -2.233) 4.057 4.514 ( 2.025 -1.549 0.232) 2.560 4.514 ( 2.025 1.549 0.232) 2.560 4.618 ( -0.325 -2.418 -2.855) 3.756 4.618 ( -0.325 2.418 -2.855) 3.756 4.685 ( 0.242 -0.765 -1.259) 1.492 4.685 ( 0.242 0.765 -1.259) 1.492 4.710 ( 2.642 -1.169 -3.936) 4.882 4.710 ( 2.642 1.169 -3.936) 4.882 4.848 ( -1.263 -3.069 -1.880) 3.814 4.848 ( -1.263 3.069 -1.880) 3.814 4.917 ( -3.290 -0.298 0.277) 3.316 4.917 ( -3.290 0.298 0.277) 3.316 4.982 ( 0.299 -2.478 -0.512) 2.548 4.982 ( 0.299 2.478 -0.512) 2.548 5.073 ( 2.716 -0.805 -2.100) 3.526 5.073 ( 2.716 0.805 -2.100) 3.526 5.158 ( -2.035 -5.978 2.679) 6.860 5.158 ( -2.035 5.978 2.679) 6.860 5.197 ( 2.712 -1.566 -0.735) 3.217 5.197 ( 2.712 1.566 -0.735) 3.217 5.349 ( -2.022 -1.676 0.762) 2.735 5.349 ( -2.022 1.676 0.762) 2.735 5.436 ( -0.757 -3.898 -4.523) 6.019 5.436 ( -0.757 3.898 -4.523) 6.019 5.569 ( -0.898 -1.054 -0.006) 1.385 5.569 ( -0.898 1.054 -0.006) 1.385 5.593 ( 4.113 -2.033 -1.875) 4.957 5.593 ( 4.113 2.033 -1.875) 4.957 5.647 ( -2.602 -2.185 -2.089) 3.989 5.647 ( -2.602 2.185 -2.089) 3.989 5.723 ( 1.115 -0.531 5.690) 5.822 5.723 ( 1.115 0.531 5.690) 5.822 5.827 ( -0.601 -1.791 -3.273) 3.779 5.827 ( -0.601 1.791 -3.273) 3.779 5.891 ( 1.204 -0.962 -1.067) 1.874 5.891 ( 1.204 0.962 -1.067) 1.874 5.931 ( 3.382 -2.659 1.928) 4.714 5.931 ( 3.382 2.659 1.928) 4.714 6.010 ( 1.980 -2.553 0.796) 3.328 6.010 ( 1.980 2.553 0.796) 3.328 6.124 ( -1.852 -2.693 3.321) 4.659 6.124 ( -1.852 2.693 3.321) 4.659 6.184 ( -2.793 -4.078 -2.187) 5.405 6.184 ( -2.793 4.078 -2.187) 5.405 6.272 ( 0.247 -2.012 -1.566) 2.562 6.272 ( 0.247 2.012 -1.566) 2.562 6.349 ( -0.969 -0.696 -2.586) 2.848 6.349 ( -0.969 0.696 -2.586) 2.848 6.606 ( 0.928 -1.404 0.211) 1.696 6.606 ( 0.928 1.404 0.211) 1.696 6.691 ( -0.548 -4.666 -1.583) 4.958 6.691 ( -0.548 4.666 -1.583) 4.958 6.830 ( -3.092 -1.219 -0.485) 3.359 6.830 ( -3.092 1.219 -0.485) 3.359 6.909 ( 2.705 -2.142 -1.319) 3.694 6.909 ( 2.705 2.142 -1.319) 3.694 6.945 ( 2.915 -2.375 -0.826) 3.850 6.945 ( 2.915 2.375 -0.826) 3.850 7.080 ( -1.239 -4.773 0.842) 5.002 7.080 ( -1.239 4.773 0.842) 5.002 7.930 ( -1.362 -0.922 -1.355) 2.131 7.930 ( -1.362 0.922 -1.355) 2.131 7.979 ( 3.227 -0.672 -0.276) 3.308 7.979 ( 3.227 0.672 -0.276) 3.308 8.712 ( -4.057 -0.765 4.647) 6.216 8.712 ( -4.057 0.765 4.647) 6.216 8.848 ( -3.829 -2.042 6.630) 7.924 8.848 ( -3.829 2.042 6.630) 7.924 9.331 ( -7.876 -3.858 5.503) 10.354 9.331 ( -7.876 3.858 5.503) 10.354 9.579 ( 9.395 -1.314 -2.397) 9.785 9.579 ( 9.395 1.314 -2.397) 9.785 9.881 ( -0.960 -0.153 0.701) 1.198 9.881 ( -0.960 0.153 0.701) 1.198 9.913 ( -0.731 -0.275 2.197) 2.331 9.913 ( -0.731 0.275 2.197) 2.331 10.372 ( 0.870 -0.469 0.757) 1.245 10.372 ( 0.870 0.469 0.757) 1.245 10.461 ( -0.795 -4.087 -0.439) 4.187 10.461 ( -0.795 4.087 -0.439) 4.187 10.742 ( -1.584 -1.628 3.824) 4.448 10.742 ( -1.584 1.628 3.824) 4.448 10.899 ( -0.963 -3.721 -0.501) 3.876 10.899 ( -0.963 3.721 -0.501) 3.876 11.081 ( 2.482 -2.758 0.782) 3.792 11.081 ( 2.482 2.758 0.782) 3.792 11.263 ( -2.394 -1.886 -1.404) 3.355 11.263 ( -2.394 1.886 -1.404) 3.355 11.563 ( -0.649 -3.482 -2.960) 4.615 11.563 ( -0.649 3.482 -2.960) 4.615 11.836 ( 7.940 -2.895 -7.364) 11.210 11.836 ( 7.940 2.895 -7.364) 11.210 ======================= Grid point 45 (22/45) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 1.949 0.000 21.803) 21.889 0.899 ( -4.731 0.000 24.069) 24.530 1.260 ( 0.092 0.000 7.293) 7.293 1.437 ( -5.330 0.000 7.085) 8.866 1.529 ( 3.736 0.000 -0.387) 3.756 1.558 ( -12.122 0.000 3.130) 12.520 1.659 ( 3.709 0.000 27.137) 27.389 1.665 ( -2.981 0.000 -0.361) 3.003 1.735 ( 1.810 0.000 5.133) 5.443 1.744 ( -1.979 0.000 7.421) 7.680 1.799 ( -0.887 0.000 3.095) 3.220 1.812 ( -1.060 0.000 -0.277) 1.096 1.866 ( 1.282 0.000 -1.749) 2.169 1.917 ( 6.146 0.000 1.508) 6.328 1.956 ( 0.367 0.000 1.631) 1.672 2.024 ( -2.889 0.000 -5.596) 6.298 2.098 ( -2.576 0.000 0.739) 2.680 2.122 ( 4.773 0.000 3.760) 6.076 2.133 ( 4.335 0.000 3.656) 5.670 2.144 ( -2.544 0.000 -3.943) 4.692 2.216 ( -0.146 0.000 -5.530) 5.532 2.255 ( -0.240 0.000 -3.004) 3.014 2.313 ( 0.183 0.000 -0.545) 0.575 2.419 ( -1.027 0.000 -2.464) 2.670 2.440 ( -5.956 0.000 7.649) 9.694 2.481 ( -0.058 0.000 0.952) 0.954 2.561 ( -2.718 0.000 -3.067) 4.097 2.599 ( 5.643 0.000 -0.411) 5.658 2.726 ( -0.480 0.000 1.088) 1.190 2.735 ( 1.726 0.000 -1.335) 2.182 2.776 ( -3.953 0.000 -1.116) 4.107 2.789 ( -1.308 0.000 -2.386) 2.722 2.819 ( -0.127 0.000 -0.821) 0.831 2.862 ( 2.558 0.000 2.253) 3.409 2.923 ( -1.172 0.000 -1.780) 2.131 2.976 ( 5.341 0.000 -1.552) 5.562 3.000 ( 1.224 0.000 -2.164) 2.487 3.007 ( 1.330 0.000 1.042) 1.690 3.082 ( 5.559 0.000 -8.645) 10.278 3.095 ( 3.052 0.000 -0.754) 3.144 3.131 ( -0.548 0.000 -4.673) 4.705 3.166 ( 1.490 0.000 -2.391) 2.818 3.170 ( -2.938 0.000 -3.715) 4.737 3.262 ( -3.554 0.000 2.111) 4.134 3.288 ( 2.127 0.000 -0.984) 2.343 3.374 ( -2.067 0.000 -2.168) 2.995 3.376 ( -0.627 0.000 0.249) 0.675 3.428 ( 2.562 0.000 -3.497) 4.335 3.491 ( -4.589 0.000 -0.441) 4.610 3.499 ( -5.209 0.000 -2.495) 5.776 3.575 ( 0.252 0.000 4.476) 4.483 3.576 ( 6.338 0.000 -3.458) 7.220 3.592 ( 0.862 0.000 -0.995) 1.317 3.609 ( 0.429 0.000 0.328) 0.540 3.669 ( -0.123 0.000 2.228) 2.232 3.712 ( -1.321 0.000 5.772) 5.921 3.738 ( 0.288 0.000 -2.006) 2.027 3.780 ( -5.491 0.000 -1.348) 5.654 3.794 ( -0.394 0.000 4.045) 4.064 3.832 ( -1.605 0.000 0.039) 1.605 3.864 ( 2.378 0.000 -0.567) 2.445 3.880 ( 1.257 0.000 7.789) 7.890 3.938 ( -2.518 0.000 -2.945) 3.875 3.942 ( 3.406 0.000 4.178) 5.391 3.996 ( 3.045 0.000 -3.174) 4.399 4.037 ( 3.428 0.000 -6.473) 7.325 4.122 ( 2.947 0.000 0.663) 3.021 4.128 ( 4.870 0.000 5.974) 7.707 4.168 ( -2.408 0.000 3.051) 3.887 4.226 ( 0.627 0.000 -5.091) 5.130 4.226 ( 2.256 0.000 4.433) 4.973 4.303 ( 1.706 0.000 -4.849) 5.141 4.361 ( -2.247 0.000 2.780) 3.575 4.377 ( -0.542 0.000 3.520) 3.561 4.380 ( 1.741 0.000 6.259) 6.496 4.405 ( -4.809 0.000 1.371) 5.001 4.449 ( 2.196 0.000 4.926) 5.394 4.554 ( -3.553 0.000 -4.017) 5.363 4.610 ( -0.736 0.000 2.490) 2.596 4.619 ( -2.943 0.000 -4.261) 5.179 4.657 ( -7.038 0.000 4.131) 8.161 4.659 ( -0.100 0.000 -1.911) 1.913 4.686 ( 0.540 0.000 1.912) 1.986 4.713 ( 6.772 0.000 -0.509) 6.791 4.791 ( 0.395 0.000 -5.699) 5.713 4.792 ( -3.138 0.000 7.487) 8.117 4.816 ( 4.508 0.000 -2.651) 5.230 4.887 ( -2.803 0.000 0.451) 2.839 4.888 ( -4.752 0.000 -2.431) 5.338 5.019 ( 1.047 0.000 0.016) 1.047 5.049 ( -0.263 0.000 1.639) 1.660 5.054 ( 2.093 0.000 -7.325) 7.618 5.156 ( -0.931 0.000 -1.145) 1.476 5.205 ( -1.973 0.000 3.163) 3.728 5.221 ( -3.496 0.000 1.313) 3.734 5.222 ( 2.156 0.000 3.937) 4.488 5.276 ( 0.401 0.000 -1.842) 1.885 5.356 ( 3.801 0.000 2.010) 4.300 5.372 ( -1.869 0.000 1.863) 2.639 5.388 ( -1.543 0.000 4.576) 4.829 5.472 ( -0.690 0.000 -7.087) 7.121 5.481 ( 1.338 0.000 0.071) 1.340 5.593 ( -0.102 0.000 -1.812) 1.815 5.600 ( 1.982 0.000 -5.387) 5.740 5.671 ( -5.079 0.000 -2.682) 5.743 5.672 ( -4.342 0.000 -4.085) 5.962 5.698 ( 3.907 0.000 -0.373) 3.925 5.724 ( 2.691 0.000 -7.034) 7.531 5.784 ( -0.416 0.000 -1.799) 1.846 5.793 ( 5.435 0.000 -2.095) 5.824 5.861 ( -1.519 0.000 -2.191) 2.666 5.885 ( 2.104 0.000 -1.198) 2.421 5.930 ( -0.245 0.000 -2.773) 2.784 5.977 ( 1.130 0.000 -0.115) 1.136 6.034 ( 4.036 0.000 4.566) 6.095 6.068 ( 0.774 0.000 6.004) 6.054 6.097 ( 0.670 0.000 1.566) 1.703 6.115 ( 0.771 0.000 -3.828) 3.905 6.187 ( -0.648 0.000 2.320) 2.408 6.198 ( 2.509 0.000 0.034) 2.510 6.227 ( 1.058 0.000 3.597) 3.750 6.263 ( -1.663 0.000 1.181) 2.039 6.354 ( -0.046 0.000 -5.640) 5.641 6.372 ( -0.618 0.000 0.394) 0.733 6.444 ( -0.217 0.000 0.249) 0.330 6.549 ( 0.176 0.000 2.804) 2.809 6.662 ( 2.251 0.000 -0.864) 2.411 6.693 ( -1.791 0.000 0.185) 1.801 6.725 ( -1.479 0.000 -2.033) 2.514 6.774 ( -0.279 0.000 -4.877) 4.885 6.851 ( -4.359 0.000 1.696) 4.677 6.863 ( 0.888 0.000 -3.136) 3.259 6.939 ( 0.540 0.000 -2.252) 2.316 7.003 ( 1.982 0.000 -0.268) 2.000 7.028 ( -1.850 0.000 -3.060) 3.575 7.132 ( 0.799 0.000 -3.755) 3.839 7.883 ( -1.433 0.000 -1.759) 2.269 7.891 ( -0.770 0.000 0.266) 0.814 8.054 ( 0.799 0.000 1.382) 1.596 8.067 ( -1.369 0.000 1.387) 1.949 8.715 ( -0.244 0.000 2.391) 2.404 8.853 ( 5.555 0.000 -1.877) 5.864 8.858 ( -0.724 0.000 5.078) 5.129 8.940 ( -2.918 0.000 3.457) 4.524 9.424 ( -0.629 0.000 6.453) 6.484 9.593 ( -8.726 0.000 -0.337) 8.732 9.626 ( -0.589 0.000 0.043) 0.591 9.698 ( 6.926 0.000 -2.724) 7.442 9.881 ( -0.960 0.000 0.784) 1.240 9.883 ( -0.167 0.000 0.629) 0.651 9.950 ( -0.415 0.000 2.922) 2.951 9.991 ( 0.392 0.000 2.763) 2.791 10.353 ( -1.297 0.000 -0.555) 1.411 10.422 ( -3.305 0.000 -4.813) 5.838 10.439 ( 0.702 0.000 3.974) 4.035 10.709 ( 0.554 0.000 -3.705) 3.746 10.838 ( 0.128 0.000 2.957) 2.960 10.930 ( -2.125 0.000 0.763) 2.257 10.947 ( 1.027 0.000 -0.405) 1.104 10.986 ( 1.161 0.000 -1.887) 2.216 11.071 ( 1.965 0.000 1.756) 2.636 11.136 ( 3.055 0.000 1.964) 3.632 11.140 ( 4.998 0.000 -1.101) 5.118 11.162 ( -3.212 0.000 2.453) 4.042 11.199 ( -0.963 0.000 5.169) 5.258 11.443 ( -0.214 0.000 -1.467) 1.482 11.549 ( 1.401 0.000 -5.299) 5.481 11.742 ( 0.617 0.000 -7.736) 7.760 ======================= Grid point 46 (23/45) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 4.878 0.000 19.192) 19.802 1.002 ( 8.844 0.000 19.265) 21.198 1.163 ( -13.122 0.000 5.288) 14.148 1.260 ( -14.323 0.000 9.230) 17.039 1.429 ( -2.487 0.000 7.964) 8.344 1.545 ( -9.275 0.000 2.531) 9.614 1.547 ( -2.998 0.000 -0.653) 3.068 1.650 ( 2.567 0.000 1.536) 2.991 1.770 ( 2.079 0.000 5.677) 6.046 1.816 ( 1.486 0.000 0.944) 1.760 1.841 ( -2.378 0.000 6.513) 6.934 1.882 ( 2.960 0.000 1.848) 3.489 1.906 ( 3.679 0.000 3.784) 5.278 1.951 ( 2.937 0.000 1.823) 3.457 1.967 ( -0.329 0.000 -6.872) 6.880 2.072 ( -0.638 0.000 -0.510) 0.817 2.085 ( 6.220 0.000 11.241) 12.847 2.088 ( -4.484 0.000 -6.000) 7.491 2.146 ( 1.403 0.000 8.764) 8.876 2.216 ( 2.600 0.000 5.933) 6.477 2.238 ( -2.888 0.000 -7.045) 7.614 2.316 ( 7.705 0.000 2.512) 8.105 2.337 ( 2.305 0.000 -2.885) 3.693 2.344 ( -1.520 0.000 7.513) 7.666 2.424 ( 2.713 0.000 -0.757) 2.816 2.460 ( -4.577 0.000 -7.123) 8.467 2.487 ( -0.216 0.000 5.096) 5.101 2.659 ( -5.264 0.000 1.927) 5.606 2.665 ( -3.327 0.000 -1.365) 3.596 2.671 ( -4.692 0.000 -1.228) 4.850 2.736 ( 3.666 0.000 4.762) 6.010 2.766 ( -3.491 0.000 -3.369) 4.851 2.874 ( -0.296 0.000 -2.231) 2.250 2.887 ( -0.789 0.000 -0.619) 1.003 2.900 ( 3.288 0.000 -2.173) 3.941 2.991 ( -1.296 0.000 -3.560) 3.789 3.000 ( -3.441 0.000 -2.590) 4.307 3.002 ( 0.545 0.000 -3.704) 3.744 3.094 ( 0.996 0.000 -4.124) 4.242 3.127 ( -2.326 0.000 4.123) 4.734 3.132 ( 3.000 0.000 -10.281) 10.710 3.155 ( -1.546 0.000 -5.604) 5.813 3.174 ( 1.233 0.000 -1.609) 2.027 3.250 ( 5.377 0.000 0.162) 5.379 3.280 ( -4.555 0.000 -6.618) 8.034 3.326 ( 0.088 0.000 -3.549) 3.550 3.390 ( 2.156 0.000 1.557) 2.659 3.412 ( -2.630 0.000 -2.153) 3.399 3.450 ( -1.215 0.000 -0.377) 1.273 3.486 ( 0.680 0.000 -3.161) 3.233 3.576 ( -1.978 0.000 1.061) 2.244 3.588 ( 2.804 0.000 1.369) 3.120 3.611 ( 2.598 0.000 2.274) 3.453 3.625 ( -2.503 0.000 2.391) 3.461 3.703 ( 2.317 0.000 -2.465) 3.383 3.710 ( 0.177 0.000 3.990) 3.994 3.742 ( -0.156 0.000 4.703) 4.706 3.762 ( 1.768 0.000 -1.788) 2.515 3.807 ( 0.989 0.000 3.586) 3.720 3.808 ( -0.488 0.000 5.551) 5.572 3.886 ( 0.204 0.000 -2.066) 2.076 3.928 ( 0.982 0.000 2.536) 2.719 3.946 ( 1.739 0.000 -2.244) 2.839 3.994 ( -0.799 0.000 2.605) 2.724 4.008 ( -2.133 0.000 -6.259) 6.612 4.036 ( 2.470 0.000 3.233) 4.069 4.133 ( -1.564 0.000 -4.290) 4.566 4.199 ( 0.034 0.000 6.498) 6.498 4.211 ( 4.177 0.000 -1.896) 4.587 4.244 ( 2.169 0.000 -3.086) 3.772 4.257 ( -0.732 0.000 5.499) 5.548 4.311 ( 1.636 0.000 -6.788) 6.982 4.353 ( -2.262 0.000 4.256) 4.820 4.358 ( -0.630 0.000 4.290) 4.336 4.371 ( -0.696 0.000 5.061) 5.109 4.377 ( 1.984 0.000 -0.354) 2.016 4.449 ( -5.097 0.000 -1.351) 5.273 4.504 ( 0.039 0.000 2.952) 2.952 4.549 ( -4.885 0.000 1.715) 5.177 4.578 ( -3.295 0.000 1.711) 3.713 4.611 ( 1.723 0.000 2.510) 3.045 4.664 ( -2.038 0.000 -2.616) 3.316 4.677 ( -6.942 0.000 4.903) 8.499 4.695 ( 2.722 0.000 -0.221) 2.731 4.793 ( 0.148 0.000 -4.307) 4.310 4.830 ( 4.458 0.000 -2.682) 5.202 4.865 ( 3.036 0.000 3.395) 4.554 4.883 ( 6.010 0.000 1.341) 6.158 4.903 ( 2.822 0.000 -0.713) 2.911 5.027 ( -4.330 0.000 -4.802) 6.466 5.033 ( -4.148 0.000 -0.473) 4.175 5.061 ( -0.168 0.000 -4.147) 4.150 5.107 ( 0.232 0.000 1.758) 1.773 5.113 ( 1.357 0.000 -3.560) 3.810 5.204 ( -0.931 0.000 0.897) 1.293 5.258 ( -1.093 0.000 -0.014) 1.093 5.329 ( -3.129 0.000 -0.183) 3.135 5.329 ( 3.947 0.000 3.777) 5.463 5.375 ( 0.030 0.000 -2.315) 2.315 5.440 ( 0.184 0.000 1.387) 1.399 5.481 ( 0.464 0.000 -2.448) 2.492 5.517 ( 4.439 0.000 0.079) 4.439 5.521 ( 1.899 0.000 -7.321) 7.563 5.578 ( -3.692 0.000 -1.653) 4.045 5.608 ( 0.214 0.000 -5.537) 5.541 5.683 ( 1.024 0.000 0.611) 1.192 5.733 ( -0.091 0.000 -2.764) 2.766 5.753 ( 2.367 0.000 0.045) 2.368 5.772 ( 0.030 0.000 -2.573) 2.573 5.804 ( -3.542 0.000 -0.409) 3.566 5.872 ( -2.029 0.000 -0.779) 2.174 5.884 ( 3.397 0.000 -2.878) 4.452 5.929 ( 0.835 0.000 2.887) 3.005 5.973 ( -2.586 0.000 0.800) 2.706 6.058 ( -2.835 0.000 0.223) 2.844 6.113 ( 3.979 0.000 -2.615) 4.761 6.117 ( 0.022 0.000 5.100) 5.100 6.152 ( 2.660 0.000 0.467) 2.700 6.197 ( -3.155 0.000 1.103) 3.342 6.205 ( 0.912 0.000 -0.264) 0.950 6.258 ( 1.363 0.000 3.632) 3.879 6.264 ( 1.503 0.000 -2.570) 2.978 6.362 ( 2.534 0.000 -5.067) 5.665 6.407 ( 4.000 0.000 -0.528) 4.034 6.435 ( -0.786 0.000 0.682) 1.041 6.540 ( -2.400 0.000 2.290) 3.317 6.659 ( -1.153 0.000 0.786) 1.396 6.683 ( -2.348 0.000 -1.166) 2.622 6.719 ( 3.165 0.000 -0.367) 3.186 6.750 ( -0.177 0.000 -3.109) 3.114 6.795 ( -0.223 0.000 -2.129) 2.141 6.871 ( 0.438 0.000 -1.851) 1.902 6.924 ( -1.266 0.000 -2.041) 2.402 6.935 ( -3.810 0.000 -3.369) 5.086 7.028 ( 0.307 0.000 1.074) 1.117 7.200 ( 4.696 0.000 -2.585) 5.361 7.861 ( -0.276 0.000 -0.492) 0.564 7.895 ( 1.100 0.000 0.332) 1.149 8.014 ( -3.400 0.000 0.969) 3.536 8.038 ( -2.544 0.000 1.221) 2.822 8.779 ( 5.123 0.000 2.258) 5.598 8.870 ( 0.080 0.000 5.672) 5.672 8.881 ( -1.994 0.000 5.024) 5.406 9.042 ( 11.828 0.000 -7.636) 14.079 9.409 ( -11.027 0.000 6.823) 12.967 9.415 ( -1.810 0.000 5.697) 5.978 9.560 ( -5.312 0.000 -0.151) 5.314 9.780 ( 2.822 0.000 -3.393) 4.414 9.893 ( 1.442 0.000 0.785) 1.641 9.895 ( 0.921 0.000 0.946) 1.321 9.954 ( -0.181 0.000 2.696) 2.702 10.013 ( 1.106 0.000 2.272) 2.527 10.346 ( 0.544 0.000 0.535) 0.763 10.361 ( -1.701 0.000 -3.028) 3.474 10.456 ( -0.228 0.000 3.797) 3.804 10.673 ( -2.585 0.000 -4.339) 5.051 10.858 ( 0.897 0.000 2.911) 3.046 10.881 ( -2.560 0.000 0.925) 2.722 10.960 ( 0.036 0.000 -0.189) 0.193 11.001 ( 1.558 0.000 -1.989) 2.527 11.082 ( -4.592 0.000 -0.908) 4.681 11.107 ( -1.976 0.000 -1.206) 2.316 11.109 ( 1.286 0.000 3.110) 3.365 11.212 ( 0.341 0.000 5.792) 5.802 11.235 ( 0.482 0.000 0.331) 0.585 11.434 ( -0.227 0.000 -0.969) 0.995 11.584 ( 4.009 0.000 -5.623) 6.906 11.705 ( -2.005 0.000 -7.290) 7.561 ======================= Grid point 47 (24/45) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -8.969 0.000 14.450) 17.007 1.003 ( -14.065 0.000 12.136) 18.578 1.166 ( 7.972 0.000 9.568) 12.454 1.239 ( 8.816 0.000 15.168) 17.544 1.365 ( -1.017 0.000 7.330) 7.400 1.493 ( -2.467 0.000 4.102) 4.786 1.546 ( 3.723 0.000 10.396) 11.042 1.686 ( 0.657 0.000 -0.457) 0.800 1.781 ( -9.078 0.000 4.064) 9.947 1.797 ( -0.877 0.000 2.894) 3.024 1.825 ( -4.782 0.000 -2.715) 5.499 1.851 ( 0.945 0.000 3.370) 3.500 1.908 ( -1.301 0.000 3.053) 3.318 1.933 ( -1.405 0.000 -1.208) 1.853 1.986 ( 0.083 0.000 -5.426) 5.427 2.047 ( -2.702 0.000 0.929) 2.857 2.082 ( 4.229 0.000 2.204) 4.769 2.158 ( 1.169 0.000 -2.163) 2.459 2.174 ( 1.550 0.000 -6.573) 6.753 2.210 ( -5.251 0.000 2.624) 5.870 2.287 ( 6.774 0.000 7.336) 9.985 2.353 ( 0.183 0.000 1.019) 1.035 2.358 ( -2.860 0.000 3.969) 4.892 2.381 ( -2.399 0.000 -2.963) 3.812 2.431 ( -0.941 0.000 -0.468) 1.051 2.499 ( 6.044 0.000 6.404) 8.806 2.545 ( 1.665 0.000 3.691) 4.050 2.570 ( 0.522 0.000 0.227) 0.569 2.620 ( 1.335 0.000 -3.188) 3.456 2.647 ( -0.394 0.000 -0.057) 0.398 2.695 ( -0.847 0.000 1.237) 1.499 2.806 ( 2.678 0.000 3.671) 4.544 2.835 ( -0.965 0.000 -6.788) 6.857 2.840 ( -0.427 0.000 -4.024) 4.047 2.917 ( -2.936 0.000 -2.916) 4.138 2.934 ( 0.200 0.000 -4.242) 4.246 2.968 ( -2.243 0.000 0.306) 2.263 3.002 ( 0.063 0.000 -2.065) 2.066 3.049 ( -2.668 0.000 0.179) 2.674 3.082 ( -3.067 0.000 -6.204) 6.920 3.156 ( 2.731 0.000 0.710) 2.822 3.190 ( -1.048 0.000 -3.727) 3.872 3.202 ( 1.696 0.000 0.225) 1.711 3.215 ( 6.021 0.000 -5.161) 7.930 3.266 ( -2.137 0.000 -2.270) 3.118 3.323 ( -0.150 0.000 0.642) 0.659 3.395 ( 0.916 0.000 -0.053) 0.917 3.405 ( -3.227 0.000 -0.828) 3.332 3.480 ( 1.618 0.000 -2.098) 2.650 3.484 ( 6.189 0.000 2.120) 6.543 3.529 ( -1.852 0.000 -0.474) 1.912 3.600 ( -4.334 0.000 -2.050) 4.795 3.627 ( 0.840 0.000 2.701) 2.829 3.663 ( 1.760 0.000 1.767) 2.494 3.711 ( -1.768 0.000 5.753) 6.018 3.721 ( -1.146 0.000 -0.465) 1.236 3.748 ( -0.266 0.000 2.512) 2.526 3.772 ( 3.683 0.000 -1.149) 3.858 3.826 ( -0.031 0.000 -2.175) 2.175 3.852 ( -3.084 0.000 0.107) 3.086 3.863 ( 2.180 0.000 2.311) 3.177 3.939 ( -0.316 0.000 1.372) 1.408 3.946 ( -2.939 0.000 1.612) 3.352 3.949 ( 0.108 0.000 -0.208) 0.234 4.021 ( 3.779 0.000 -1.854) 4.209 4.037 ( -3.291 0.000 -1.073) 3.461 4.103 ( -5.202 0.000 6.998) 8.720 4.177 ( 0.223 0.000 0.952) 0.978 4.202 ( -4.692 0.000 -6.707) 8.186 4.259 ( -0.332 0.000 4.575) 4.587 4.272 ( 1.159 0.000 -2.696) 2.934 4.315 ( -0.418 0.000 -6.387) 6.401 4.317 ( -1.424 0.000 7.524) 7.658 4.338 ( 0.898 0.000 1.449) 1.705 4.355 ( -9.025 0.000 2.840) 9.462 4.410 ( 0.558 0.000 5.212) 5.242 4.412 ( 1.219 0.000 1.652) 2.053 4.493 ( 5.947 0.000 -3.060) 6.688 4.543 ( 0.899 0.000 4.687) 4.772 4.584 ( 4.736 0.000 -3.246) 5.742 4.621 ( -1.511 0.000 -3.409) 3.729 4.624 ( -0.075 0.000 -0.468) 0.474 4.715 ( 6.541 0.000 5.765) 8.719 4.726 ( 0.577 0.000 -4.022) 4.064 4.770 ( -0.758 0.000 -3.402) 3.486 4.830 ( -3.472 0.000 -2.209) 4.115 4.900 ( -0.385 0.000 -2.589) 2.618 4.928 ( -3.172 0.000 1.655) 3.578 4.941 ( -0.189 0.000 2.668) 2.675 4.979 ( 4.935 0.000 -1.383) 5.125 5.027 ( 3.374 0.000 -2.174) 4.014 5.066 ( -3.172 0.000 -0.392) 3.196 5.087 ( 0.006 0.000 2.022) 2.022 5.153 ( 2.173 0.000 3.531) 4.146 5.261 ( 2.681 0.000 1.300) 2.979 5.264 ( -3.056 0.000 1.340) 3.337 5.267 ( 5.816 0.000 -7.980) 9.874 5.341 ( -3.182 0.000 -5.380) 6.251 5.373 ( 1.144 0.000 -2.134) 2.422 5.378 ( -0.763 0.000 1.559) 1.736 5.520 ( -0.837 0.000 -2.744) 2.869 5.541 ( 1.549 0.000 -1.928) 2.473 5.593 ( -0.052 0.000 -1.233) 1.234 5.597 ( 3.507 0.000 2.124) 4.100 5.607 ( 3.885 0.000 -1.129) 4.046 5.663 ( -1.809 0.000 0.279) 1.831 5.702 ( -5.610 0.000 1.593) 5.832 5.712 ( -1.130 0.000 2.372) 2.627 5.768 ( 0.484 0.000 -4.492) 4.518 5.803 ( 1.973 0.000 -4.327) 4.756 5.850 ( 0.909 0.000 -0.573) 1.074 5.904 ( 0.613 0.000 -1.068) 1.232 5.917 ( -3.036 0.000 -0.348) 3.056 5.954 ( -2.157 0.000 -1.080) 2.412 6.014 ( 0.998 0.000 1.112) 1.495 6.108 ( -4.835 0.000 3.694) 6.084 6.111 ( -2.860 0.000 7.348) 7.884 6.144 ( 0.471 0.000 -4.697) 4.720 6.200 ( -0.540 0.000 -1.705) 1.788 6.201 ( -0.317 0.000 -1.398) 1.433 6.266 ( 0.878 0.000 -1.918) 2.109 6.274 ( -1.751 0.000 4.075) 4.435 6.394 ( 0.922 0.000 -1.446) 1.715 6.429 ( 0.648 0.000 -1.568) 1.697 6.449 ( -1.860 0.000 2.674) 3.257 6.517 ( 1.497 0.000 -0.276) 1.522 6.630 ( -1.570 0.000 -1.183) 1.966 6.668 ( 1.555 0.000 0.113) 1.559 6.755 ( 1.385 0.000 -3.301) 3.579 6.789 ( 2.857 0.000 -0.276) 2.870 6.818 ( 2.774 0.000 -4.580) 5.355 6.869 ( -0.024 0.000 -0.167) 0.169 6.900 ( 0.345 0.000 -1.687) 1.722 6.907 ( 2.149 0.000 -5.438) 5.847 7.018 ( -1.935 0.000 2.216) 2.942 7.252 ( 1.466 0.000 -4.823) 5.041 7.888 ( 3.259 0.000 1.973) 3.810 7.927 ( 1.834 0.000 0.161) 1.841 7.966 ( -1.735 0.000 0.003) 1.735 7.989 ( -2.268 0.000 1.057) 2.502 8.852 ( -0.246 0.000 3.953) 3.960 8.859 ( -2.284 0.000 5.624) 6.070 8.871 ( -1.368 0.000 4.276) 4.490 9.146 ( -4.260 0.000 -1.345) 4.467 9.341 ( 7.151 0.000 1.791) 7.372 9.400 ( -1.317 0.000 3.193) 3.454 9.503 ( 0.694 0.000 2.635) 2.725 9.787 ( -0.639 0.000 -5.857) 5.892 9.908 ( -0.139 0.000 1.115) 1.123 9.922 ( 1.203 0.000 0.903) 1.504 9.956 ( -0.357 0.000 2.164) 2.193 10.026 ( -0.750 0.000 -1.521) 1.696 10.369 ( 1.310 0.000 1.913) 2.319 10.380 ( 5.291 0.000 4.682) 7.065 10.446 ( -1.864 0.000 2.177) 2.866 10.599 ( -3.823 0.000 -4.623) 5.999 10.848 ( -1.214 0.000 1.376) 1.835 10.874 ( -0.933 0.000 3.355) 3.482 10.937 ( -1.317 0.000 -1.883) 2.298 11.020 ( -1.237 0.000 0.318) 1.277 11.026 ( 0.844 0.000 -1.271) 1.526 11.073 ( -0.561 0.000 -2.059) 2.134 11.148 ( 1.657 0.000 2.915) 3.353 11.191 ( -4.293 0.000 2.221) 4.834 11.229 ( -0.706 0.000 6.233) 6.273 11.434 ( 0.638 0.000 -1.304) 1.452 11.631 ( -1.992 0.000 -6.318) 6.625 11.661 ( 4.201 0.000 -6.546) 7.778 ======================= Grid point 48 (25/45) ======================= q-point: (-0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -8.274 0.000 18.487) 20.254 0.909 ( -2.690 0.000 22.224) 22.386 1.233 ( -0.058 0.000 7.425) 7.425 1.410 ( 5.333 0.000 9.479) 10.876 1.477 ( -0.350 0.000 2.526) 2.550 1.538 ( 10.946 0.000 10.330) 15.050 1.613 ( -7.058 0.000 19.843) 21.061 1.666 ( -0.112 0.000 0.030) 0.116 1.674 ( 3.783 0.000 11.302) 11.919 1.776 ( -4.954 0.000 0.174) 4.957 1.815 ( 1.844 0.000 -2.469) 3.082 1.824 ( 2.454 0.000 2.932) 3.824 1.889 ( -4.468 0.000 1.145) 4.613 1.905 ( -4.854 0.000 -1.138) 4.985 1.951 ( -0.515 0.000 -2.730) 2.779 2.026 ( 2.454 0.000 3.673) 4.418 2.087 ( -3.890 0.000 -2.875) 4.837 2.128 ( -3.638 0.000 -1.644) 3.993 2.149 ( -0.265 0.000 1.903) 1.921 2.205 ( 2.158 0.000 -4.835) 5.295 2.281 ( -6.336 0.000 -2.515) 6.817 2.293 ( -3.350 0.000 0.586) 3.401 2.358 ( -5.173 0.000 -7.961) 9.494 2.397 ( 3.303 0.000 2.872) 4.377 2.419 ( 5.270 0.000 2.117) 5.679 2.485 ( -0.797 0.000 -1.167) 1.413 2.543 ( -2.116 0.000 6.310) 6.656 2.621 ( -0.122 0.000 -3.346) 3.348 2.671 ( 4.182 0.000 0.635) 4.230 2.722 ( 1.781 0.000 1.657) 2.433 2.731 ( 4.401 0.000 2.214) 4.927 2.814 ( 0.997 0.000 -4.184) 4.301 2.855 ( -1.624 0.000 -3.396) 3.764 2.878 ( -0.917 0.000 -5.064) 5.146 2.892 ( 4.881 0.000 -1.662) 5.156 2.898 ( 1.728 0.000 1.707) 2.429 2.974 ( 2.990 0.000 -3.199) 4.379 2.988 ( -0.489 0.000 -1.573) 1.647 3.017 ( 0.610 0.000 2.461) 2.536 3.033 ( 0.466 0.000 -5.816) 5.835 3.156 ( -0.434 0.000 -0.568) 0.715 3.168 ( -1.999 0.000 0.975) 2.225 3.234 ( 0.730 0.000 -0.416) 0.840 3.259 ( 0.637 0.000 -3.334) 3.395 3.303 ( -1.703 0.000 4.501) 4.813 3.364 ( 1.201 0.000 -1.113) 1.637 3.383 ( 9.479 0.000 -2.083) 9.705 3.410 ( -1.951 0.000 -1.520) 2.473 3.485 ( -4.769 0.000 -3.488) 5.909 3.497 ( 1.714 0.000 7.537) 7.729 3.538 ( 4.499 0.000 -0.170) 4.502 3.584 ( 0.104 0.000 1.830) 1.833 3.637 ( 0.450 0.000 -0.263) 0.522 3.641 ( -4.403 0.000 -5.622) 7.141 3.679 ( -6.881 0.000 -2.962) 7.492 3.738 ( 1.430 0.000 5.581) 5.761 3.745 ( 1.087 0.000 0.744) 1.317 3.750 ( 0.913 0.000 5.348) 5.426 3.825 ( 0.632 0.000 0.053) 0.634 3.827 ( -3.889 0.000 1.481) 4.162 3.866 ( 0.065 0.000 -0.056) 0.086 3.892 ( -1.686 0.000 0.475) 1.752 3.955 ( -0.315 0.000 -1.091) 1.135 3.966 ( 2.721 0.000 -1.041) 2.913 4.000 ( -8.952 0.000 3.577) 9.640 4.022 ( 4.608 0.000 2.922) 5.456 4.053 ( -7.063 0.000 -7.993) 10.666 4.084 ( 2.976 0.000 -2.662) 3.993 4.172 ( 0.799 0.000 3.933) 4.014 4.231 ( -4.910 0.000 5.997) 7.751 4.259 ( -2.172 0.000 -3.805) 4.381 4.284 ( 1.018 0.000 -5.235) 5.333 4.302 ( 3.078 0.000 6.566) 7.252 4.364 ( 0.513 0.000 3.541) 3.578 4.367 ( 1.859 0.000 1.122) 2.171 4.423 ( -0.614 0.000 6.062) 6.093 4.446 ( 0.478 0.000 0.077) 0.484 4.546 ( 3.342 0.000 -0.976) 3.482 4.599 ( 1.570 0.000 1.219) 1.987 4.611 ( 2.626 0.000 -1.194) 2.885 4.636 ( 2.419 0.000 -2.494) 3.475 4.680 ( 0.759 0.000 -2.906) 3.003 4.723 ( 1.566 0.000 -5.009) 5.248 4.766 ( -0.321 0.000 1.116) 1.161 4.768 ( -2.519 0.000 1.003) 2.711 4.817 ( -3.574 0.000 6.167) 7.128 4.835 ( -5.509 0.000 -4.402) 7.051 4.869 ( 3.742 0.000 -0.375) 3.760 4.954 ( 0.432 0.000 -1.234) 1.308 4.976 ( -1.754 0.000 1.153) 2.099 5.058 ( 1.106 0.000 -1.039) 1.517 5.064 ( 1.271 0.000 -2.524) 2.826 5.148 ( 4.310 0.000 1.258) 4.490 5.149 ( -2.020 0.000 0.874) 2.201 5.241 ( 1.695 0.000 1.019) 1.978 5.265 ( -2.860 0.000 -4.634) 5.446 5.302 ( -2.497 0.000 0.915) 2.660 5.309 ( -0.509 0.000 5.385) 5.409 5.395 ( 2.182 0.000 4.742) 5.220 5.400 ( 0.154 0.000 -4.600) 4.603 5.507 ( -6.061 0.000 5.960) 8.501 5.508 ( -0.917 0.000 -2.196) 2.380 5.579 ( -0.294 0.000 -0.956) 1.000 5.592 ( 2.713 0.000 -4.611) 5.350 5.621 ( 0.528 0.000 -2.101) 2.167 5.676 ( 2.972 0.000 -0.616) 3.035 5.708 ( 4.175 0.000 -1.745) 4.525 5.748 ( 0.590 0.000 -4.491) 4.530 5.774 ( -3.828 0.000 -3.292) 5.049 5.782 ( 2.918 0.000 -6.558) 7.178 5.861 ( -0.697 0.000 -1.489) 1.644 5.889 ( -1.381 0.000 -3.936) 4.171 5.904 ( 3.371 0.000 3.458) 4.829 5.929 ( 1.718 0.000 -3.252) 3.678 6.031 ( -4.159 0.000 3.384) 5.362 6.054 ( -0.407 0.000 5.289) 5.304 6.075 ( -0.724 0.000 5.068) 5.119 6.124 ( -0.286 0.000 -4.389) 4.398 6.178 ( -0.039 0.000 -1.285) 1.285 6.202 ( 0.698 0.000 -0.290) 0.756 6.227 ( -3.842 0.000 4.423) 5.859 6.278 ( -0.282 0.000 1.350) 1.379 6.380 ( -1.228 0.000 -1.578) 1.999 6.406 ( -2.643 0.000 1.479) 3.029 6.442 ( 0.700 0.000 -1.696) 1.835 6.538 ( 0.149 0.000 2.170) 2.175 6.630 ( 1.519 0.000 -1.444) 2.095 6.700 ( 1.456 0.000 -1.627) 2.183 6.769 ( -2.472 0.000 -1.665) 2.981 6.772 ( 1.418 0.000 -3.752) 4.011 6.865 ( -0.013 0.000 -2.476) 2.476 6.880 ( 2.722 0.000 -1.621) 3.168 6.926 ( 1.200 0.000 -0.793) 1.438 6.972 ( 5.450 0.000 -3.852) 6.673 6.983 ( -1.131 0.000 0.972) 1.491 7.213 ( -3.742 0.000 -6.549) 7.543 7.916 ( -1.271 0.000 -1.649) 2.082 7.918 ( -1.990 0.000 0.109) 1.993 8.008 ( 2.945 0.000 1.185) 3.174 8.013 ( 5.712 0.000 2.747) 6.339 8.776 ( -6.103 0.000 3.336) 6.955 8.825 ( -2.151 0.000 3.262) 3.907 8.867 ( -1.419 0.000 4.321) 4.548 9.024 ( -6.872 0.000 3.889) 7.896 9.404 ( 0.468 0.000 5.025) 5.046 9.530 ( 10.814 0.000 -2.809) 11.173 9.578 ( 4.610 0.000 1.946) 5.004 9.727 ( -3.734 0.000 -6.945) 7.885 9.896 ( -1.160 0.000 0.780) 1.398 9.922 ( -2.150 0.000 -0.361) 2.180 9.954 ( -0.631 0.000 2.344) 2.428 9.988 ( -1.352 0.000 1.193) 1.804 10.387 ( -1.233 0.000 0.713) 1.425 10.417 ( -0.276 0.000 2.407) 2.423 10.504 ( -3.442 0.000 -4.710) 5.833 10.600 ( 12.293 0.000 3.449) 12.768 10.844 ( -1.873 0.000 2.725) 3.307 10.860 ( 3.172 0.000 3.581) 4.784 10.933 ( 0.664 0.000 -0.978) 1.182 11.005 ( -2.260 0.000 -0.217) 2.270 11.029 ( 1.608 0.000 1.377) 2.117 11.070 ( -0.309 0.000 -1.570) 1.600 11.141 ( -0.808 0.000 1.532) 1.732 11.176 ( 0.195 0.000 3.398) 3.404 11.219 ( -2.129 0.000 5.625) 6.014 11.444 ( 0.660 0.000 -1.740) 1.861 11.569 ( -1.783 0.000 -5.596) 5.873 11.724 ( 3.663 0.000 -7.346) 8.208 ======================= Grid point 49 (26/45) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.502 9.170 18.228) 20.411 0.989 ( -4.029 8.387 20.996) 22.965 1.244 ( -0.824 -0.349 5.476) 5.548 1.414 ( -4.930 -7.095 2.964) 9.134 1.455 ( 2.652 -7.155 6.576) 10.074 1.497 ( -5.520 -0.576 4.286) 7.012 1.550 ( -3.629 -5.303 5.490) 8.452 1.639 ( 1.917 -4.575 7.186) 8.732 1.680 ( -2.757 -7.030 9.615) 12.226 1.717 ( -2.000 -5.897 -0.148) 6.229 1.765 ( 1.422 -0.494 1.506) 2.129 1.795 ( -1.721 1.899 -1.765) 3.112 1.886 ( 3.112 2.470 10.096) 10.849 1.941 ( -0.173 4.048 4.382) 5.968 1.969 ( -4.712 -2.133 -1.506) 5.387 2.065 ( 4.291 5.465 -2.072) 7.250 2.104 ( 3.536 1.719 2.113) 4.463 2.129 ( 5.777 0.593 -0.517) 5.830 2.166 ( -0.097 4.204 -2.806) 5.055 2.224 ( 4.034 0.878 -0.984) 4.243 2.227 ( 0.578 3.800 -2.033) 4.348 2.268 ( -3.427 1.789 -1.694) 4.221 2.377 ( 1.695 3.227 -0.225) 3.652 2.397 ( -5.055 -2.302 1.887) 5.866 2.431 ( 0.831 -1.900 1.098) 2.347 2.483 ( -3.981 -0.065 0.092) 3.982 2.544 ( 5.133 -1.925 3.625) 6.572 2.592 ( 0.497 0.493 -2.210) 2.318 2.663 ( 1.890 -2.731 0.264) 3.332 2.700 ( -1.436 -4.909 -1.370) 5.295 2.758 ( -2.822 -1.654 -4.498) 5.562 2.805 ( -1.026 1.775 0.553) 2.123 2.822 ( -0.913 -2.795 -0.998) 3.105 2.850 ( -2.330 2.287 -0.128) 3.268 2.896 ( 2.346 0.511 -4.398) 5.011 2.975 ( 2.293 -2.862 -8.427) 9.190 3.016 ( 2.538 -0.706 0.069) 2.636 3.037 ( 0.775 2.844 -0.690) 3.027 3.065 ( -3.550 1.004 -2.636) 4.535 3.094 ( -1.813 -0.696 -3.267) 3.801 3.147 ( 0.233 1.284 0.600) 1.436 3.177 ( 1.223 1.569 -2.634) 3.301 3.205 ( 0.149 -2.457 2.353) 3.405 3.256 ( -1.124 0.682 2.120) 2.494 3.306 ( -0.145 -3.081 1.681) 3.513 3.328 ( 0.667 6.250 -1.572) 6.479 3.382 ( -0.223 -1.569 -2.108) 2.638 3.435 ( -0.780 1.917 -2.282) 3.081 3.504 ( -1.594 0.162 2.234) 2.749 3.520 ( -2.581 1.286 -0.902) 3.022 3.533 ( 3.935 -2.166 1.698) 4.802 3.572 ( 5.502 -0.918 -2.166) 5.984 3.607 ( -1.833 -0.608 -1.468) 2.426 3.630 ( -2.739 2.088 -1.302) 3.682 3.683 ( 2.759 1.124 2.816) 4.099 3.710 ( 0.206 -2.535 0.364) 2.569 3.735 ( 3.443 1.997 2.521) 4.711 3.763 ( -1.386 -1.129 0.764) 1.944 3.796 ( -0.605 -0.850 2.176) 2.413 3.815 ( -1.772 0.853 3.354) 3.888 3.873 ( -1.051 -1.329 0.752) 1.854 3.905 ( -1.495 0.731 0.836) 1.863 3.930 ( 1.404 0.995 0.675) 1.848 3.970 ( 0.364 0.842 2.663) 2.817 3.983 ( 2.231 -2.487 -0.921) 3.466 4.025 ( 2.557 1.911 -0.275) 3.204 4.098 ( -2.219 -1.551 1.854) 3.282 4.136 ( 0.472 0.895 1.004) 1.425 4.179 ( 1.455 -0.203 -1.161) 1.872 4.214 ( 1.806 0.465 0.331) 1.894 4.270 ( 1.426 1.918 0.312) 2.410 4.320 ( 1.733 -0.364 -0.109) 1.774 4.335 ( -4.108 0.291 0.481) 4.146 4.366 ( 0.769 -2.009 3.203) 3.858 4.401 ( -0.967 1.511 2.717) 3.256 4.418 ( 1.443 2.652 -2.250) 3.765 4.465 ( -1.739 0.285 2.231) 2.843 4.530 ( -4.130 -1.769 -1.894) 4.876 4.559 ( 0.720 -3.720 3.213) 4.968 4.606 ( -2.441 -1.067 -2.949) 3.974 4.655 ( -0.037 0.949 1.350) 1.651 4.669 ( 1.686 -2.335 0.315) 2.897 4.686 ( 2.698 -0.841 -1.723) 3.310 4.695 ( -1.139 1.643 -1.873) 2.740 4.720 ( -2.290 -1.053 0.112) 2.523 4.799 ( -2.062 -0.131 1.558) 2.588 4.866 ( -0.521 0.781 -0.924) 1.317 4.879 ( 1.197 -0.074 -0.798) 1.440 4.948 ( 0.606 0.153 -1.992) 2.087 4.995 ( 0.524 0.907 -1.289) 1.661 5.044 ( 2.821 0.927 -2.141) 3.661 5.099 ( -2.800 1.802 -1.875) 3.821 5.137 ( 0.415 -2.014 -2.876) 3.535 5.158 ( 1.377 -2.670 1.076) 3.191 5.216 ( -3.402 0.156 -2.062) 3.982 5.271 ( 3.216 1.759 0.404) 3.688 5.292 ( 0.153 -3.103 0.820) 3.213 5.306 ( -2.453 3.929 3.338) 5.709 5.363 ( 0.182 0.996 1.197) 1.568 5.448 ( -2.775 0.012 1.752) 3.282 5.484 ( 1.317 0.646 -3.700) 3.980 5.501 ( 0.068 1.415 -2.519) 2.890 5.554 ( -1.098 -0.296 -1.234) 1.678 5.620 ( 0.533 -1.321 -0.567) 1.533 5.649 ( -3.440 -0.097 -0.333) 3.458 5.667 ( 0.749 -1.334 -3.092) 3.450 5.686 ( -0.471 -0.117 -3.242) 3.278 5.721 ( 2.236 -0.403 -5.809) 6.237 5.771 ( 2.568 1.293 -1.601) 3.291 5.833 ( -0.828 1.319 0.457) 1.623 5.882 ( 1.483 1.562 -2.870) 3.588 5.923 ( 2.880 0.023 0.469) 2.918 5.930 ( 1.251 1.206 -1.634) 2.385 5.981 ( 0.502 1.266 1.519) 2.040 6.039 ( -0.947 3.989 2.085) 4.600 6.089 ( 1.477 0.911 -0.007) 1.736 6.099 ( 3.976 -0.106 1.440) 4.230 6.143 ( 0.508 -1.249 1.968) 2.386 6.182 ( 1.964 -1.791 -0.256) 2.670 6.194 ( 0.669 0.878 1.036) 1.513 6.238 ( -0.448 1.145 3.573) 3.779 6.259 ( -0.012 0.292 -0.091) 0.306 6.293 ( -0.666 -2.559 -3.028) 4.020 6.375 ( -0.238 -1.234 0.150) 1.266 6.498 ( -0.994 4.853 -0.370) 4.968 6.574 ( -0.487 1.440 -0.186) 1.531 6.636 ( 0.574 -1.633 -1.035) 2.016 6.720 ( -1.500 -0.316 -1.957) 2.486 6.740 ( -1.326 -1.620 -2.371) 3.163 6.774 ( -1.071 2.610 -1.069) 3.016 6.834 ( -2.856 1.341 -0.344) 3.174 6.898 ( 0.927 2.232 -1.774) 2.998 6.944 ( 1.217 0.605 -1.969) 2.392 6.994 ( 1.608 -0.719 -1.013) 2.032 7.025 ( -0.788 -0.593 -1.849) 2.095 7.093 ( 0.246 -3.695 -3.100) 4.830 7.882 ( -1.299 -0.050 -1.122) 1.717 7.888 ( -0.871 -0.206 0.044) 0.897 8.051 ( 0.643 -0.152 1.505) 1.644 8.060 ( -0.613 -0.511 1.579) 1.770 8.727 ( 0.375 1.159 2.116) 2.442 8.816 ( 4.325 -2.488 0.236) 4.995 8.879 ( -0.498 1.158 3.607) 3.821 8.928 ( -3.101 -0.998 3.848) 5.042 9.408 ( -1.178 -1.104 6.835) 7.023 9.494 ( -6.428 -6.591 5.313) 10.629 9.641 ( 0.161 0.957 -0.232) 0.998 9.690 ( 5.969 -0.789 -2.375) 6.473 9.876 ( -0.576 -0.187 0.700) 0.926 9.881 ( -0.269 -0.204 0.530) 0.628 9.950 ( -0.486 0.070 2.824) 2.867 9.976 ( -0.112 -1.138 2.723) 2.953 10.358 ( -1.242 0.653 -0.486) 1.485 10.417 ( -2.841 -0.757 -3.662) 4.696 10.446 ( 0.588 0.649 3.483) 3.591 10.561 ( 2.889 -7.838 3.102) 8.911 10.819 ( -0.395 -1.443 1.901) 2.419 10.852 ( -0.892 -3.045 3.491) 4.718 10.895 ( 2.431 -1.486 3.111) 4.219 10.979 ( -0.390 -4.814 1.388) 5.025 11.029 ( -1.532 2.206 -0.851) 2.818 11.112 ( -2.163 0.314 -0.808) 2.331 11.200 ( 1.999 3.443 1.074) 4.124 11.251 ( 1.915 3.056 2.063) 4.155 11.393 ( -0.837 5.218 -6.415) 8.311 11.521 ( 1.860 3.315 -4.838) 6.153 11.551 ( 0.767 5.339 -6.040) 8.098 11.739 ( 0.449 -0.603 -8.320) 8.354 ======================= Grid point 50 (27/45) ======================= q-point: ( 0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 2.132 6.099 18.127) 19.244 1.075 ( 7.106 4.784 17.228) 19.240 1.174 ( -8.328 3.467 5.810) 10.730 1.331 ( -10.787 6.284 6.439) 14.047 1.395 ( 0.650 -4.993 4.802) 6.958 1.465 ( -3.602 -8.393 5.834) 10.837 1.551 ( -1.931 -5.424 5.592) 8.026 1.573 ( -0.031 -0.298 3.491) 3.504 1.667 ( -1.772 -7.672 0.944) 7.930 1.731 ( 1.304 -8.581 2.555) 9.048 1.769 ( -3.258 1.690 2.229) 4.294 1.823 ( 1.342 -3.354 1.164) 3.795 1.876 ( -0.898 -3.609 0.768) 3.797 1.946 ( 0.089 -1.883 1.932) 2.699 1.981 ( 2.138 3.474 3.099) 5.123 2.113 ( -1.420 2.479 -1.570) 3.260 2.130 ( -3.718 3.457 -0.838) 5.146 2.166 ( 0.823 4.714 -3.821) 6.124 2.223 ( 5.245 5.131 4.150) 8.430 2.245 ( 2.080 -1.017 1.838) 2.956 2.261 ( 1.983 0.223 -2.105) 2.901 2.305 ( 4.100 1.457 0.028) 4.351 2.328 ( -0.349 1.936 3.797) 4.277 2.372 ( -3.954 -0.484 -4.590) 6.077 2.447 ( 2.934 3.896 1.513) 5.107 2.478 ( 3.151 -0.290 1.375) 3.450 2.564 ( -2.545 4.089 2.539) 5.445 2.599 ( -2.526 -3.847 -1.688) 4.901 2.643 ( -3.473 -1.087 -3.346) 4.943 2.650 ( 0.870 -1.874 3.146) 3.764 2.722 ( -3.574 -0.985 -0.992) 3.837 2.764 ( -1.188 -4.993 0.238) 5.138 2.808 ( 0.700 3.461 4.264) 5.536 2.839 ( 0.680 -2.119 -4.362) 4.897 2.935 ( -0.176 -0.784 -2.644) 2.763 2.956 ( 1.272 -2.746 -5.907) 6.637 2.968 ( -2.702 -3.746 -2.273) 5.148 3.010 ( -0.300 3.408 0.153) 3.425 3.058 ( -0.563 -0.470 -3.854) 3.923 3.102 ( 0.430 -0.890 -3.739) 3.867 3.171 ( 0.260 0.364 1.794) 1.848 3.200 ( 3.108 -2.112 -1.008) 3.891 3.232 ( -0.708 5.295 -0.056) 5.343 3.271 ( 3.426 -1.932 -1.532) 4.221 3.302 ( 0.303 4.638 -1.871) 5.010 3.331 ( 0.525 -0.425 -0.231) 0.713 3.379 ( -1.576 -0.085 1.000) 1.868 3.402 ( -0.687 4.429 -3.442) 5.651 3.449 ( -2.539 -0.295 1.781) 3.115 3.517 ( 0.017 -1.641 0.690) 1.780 3.557 ( 0.129 -2.149 -1.698) 2.742 3.569 ( -2.472 -0.460 0.629) 2.592 3.603 ( -0.009 1.940 -0.556) 2.018 3.620 ( 1.598 -0.854 1.320) 2.242 3.691 ( -1.539 0.655 1.757) 2.426 3.731 ( 1.530 -1.831 0.134) 2.390 3.771 ( 0.548 1.497 1.993) 2.552 3.800 ( 1.239 0.252 1.516) 1.974 3.811 ( -0.434 3.646 0.338) 3.687 3.821 ( 0.380 -0.893 2.732) 2.899 3.867 ( 1.635 -0.769 2.156) 2.814 3.894 ( 1.623 0.517 2.875) 3.342 3.934 ( -3.098 -2.788 -3.031) 5.153 3.975 ( -0.882 -1.901 -1.644) 2.663 3.985 ( 0.392 -0.480 -0.250) 0.669 4.078 ( 2.446 1.898 -0.375) 3.119 4.122 ( 2.110 -2.542 6.296) 7.110 4.152 ( 0.733 -0.256 3.446) 3.532 4.187 ( -1.171 0.181 -0.300) 1.222 4.199 ( 0.204 -3.455 -5.590) 6.575 4.279 ( 0.251 -0.357 2.137) 2.181 4.289 ( -1.934 1.552 -0.124) 2.483 4.352 ( -2.872 -2.499 6.178) 7.257 4.378 ( -1.391 0.710 -0.640) 1.688 4.382 ( 1.307 0.625 2.348) 2.759 4.439 ( 1.526 -0.832 -1.434) 2.253 4.457 ( -2.090 0.724 -1.914) 2.925 4.486 ( 3.436 5.155 1.343) 6.340 4.535 ( -0.498 -2.974 4.171) 5.146 4.594 ( -0.687 2.265 -2.284) 3.289 4.601 ( -4.138 -1.226 0.550) 4.350 4.645 ( -0.648 -1.014 0.612) 1.350 4.663 ( -1.841 1.070 1.142) 2.416 4.726 ( 0.139 1.433 -3.604) 3.882 4.792 ( 3.607 -3.011 -2.575) 5.358 4.799 ( 2.890 -3.315 -1.741) 4.730 4.853 ( -4.373 1.606 -2.774) 5.422 4.880 ( 1.438 1.047 1.887) 2.593 4.918 ( 2.787 -1.273 0.492) 3.103 5.030 ( 0.217 -2.009 -1.305) 2.405 5.042 ( -0.606 1.275 -2.427) 2.808 5.073 ( -0.272 2.498 0.946) 2.685 5.121 ( -1.700 1.345 0.408) 2.205 5.146 ( 0.487 2.407 -6.568) 7.013 5.200 ( 0.898 -0.362 -0.522) 1.100 5.241 ( -2.215 -2.145 -1.503) 3.430 5.294 ( -0.506 0.966 0.352) 1.145 5.348 ( 0.390 -0.050 -1.138) 1.204 5.389 ( 2.881 0.922 1.634) 3.438 5.424 ( 2.018 -2.755 -0.193) 3.420 5.478 ( -4.125 0.819 -3.429) 5.427 5.524 ( 4.008 1.908 -1.412) 4.658 5.531 ( -0.055 0.784 -2.861) 2.967 5.582 ( -2.886 -0.051 -0.353) 2.908 5.611 ( 1.313 -0.868 -1.384) 2.096 5.670 ( -0.103 -0.348 -1.788) 1.824 5.700 ( 3.194 -2.514 -2.523) 4.784 5.741 ( -0.165 -1.940 -1.260) 2.319 5.784 ( -0.318 1.467 -2.396) 2.828 5.844 ( 0.563 2.696 -0.281) 2.769 5.904 ( -1.065 2.022 2.689) 3.529 5.915 ( -1.205 -0.534 1.975) 2.374 5.944 ( 0.502 4.247 -0.854) 4.361 5.987 ( -1.913 2.499 1.622) 3.541 6.046 ( -0.038 -0.467 0.888) 1.004 6.077 ( 0.729 -0.254 -1.174) 1.405 6.147 ( -3.237 -0.551 2.077) 3.886 6.176 ( 0.517 -2.263 -0.936) 2.503 6.183 ( 0.853 0.450 1.079) 1.447 6.246 ( 3.718 5.010 0.131) 6.241 6.261 ( 3.034 -0.529 1.094) 3.268 6.271 ( 0.131 0.329 -1.807) 1.841 6.306 ( 2.123 -2.391 -0.372) 3.219 6.402 ( 3.398 -1.397 -0.976) 3.801 6.470 ( -1.938 2.787 0.788) 3.485 6.549 ( -1.932 1.081 -1.004) 2.431 6.633 ( -0.573 -2.716 -1.399) 3.109 6.693 ( -1.008 1.227 -0.444) 1.649 6.719 ( 0.490 -2.876 -3.497) 4.554 6.757 ( 0.821 0.463 -0.760) 1.211 6.790 ( -0.594 2.732 -1.429) 3.140 6.901 ( -1.065 0.937 -2.469) 2.847 6.935 ( -1.441 2.294 -1.630) 3.162 6.962 ( -1.378 1.939 -1.181) 2.656 7.017 ( 0.416 -1.062 0.600) 1.289 7.152 ( 3.987 -4.230 -2.323) 6.260 7.865 ( -0.022 0.394 -0.215) 0.449 7.889 ( 0.927 -0.479 0.324) 1.093 8.017 ( -3.147 0.299 0.961) 3.304 8.034 ( -2.598 -0.337 1.138) 2.857 8.805 ( 5.930 2.458 1.806) 6.668 8.871 ( 0.115 0.017 5.284) 5.286 8.884 ( -1.614 0.293 4.809) 5.081 9.000 ( 10.566 -3.964 -5.415) 12.517 9.371 ( -7.378 -2.061 8.054) 11.116 9.397 ( -2.103 -1.784 6.311) 6.887 9.580 ( -5.689 1.975 -0.554) 6.048 9.740 ( 0.318 -3.776 -3.215) 4.969 9.890 ( 1.359 -0.131 0.801) 1.583 9.894 ( 1.146 -0.168 0.837) 1.429 9.953 ( -0.263 -0.099 2.644) 2.659 9.980 ( -0.393 -2.023 2.769) 3.452 10.350 ( 0.373 0.371 0.492) 0.720 10.365 ( -1.401 0.157 -2.107) 2.535 10.462 ( -0.209 0.627 3.329) 3.393 10.588 ( -0.242 -6.250 -0.151) 6.257 10.826 ( 0.358 -1.556 1.968) 2.534 10.845 ( -0.696 -1.854 2.934) 3.540 10.938 ( -0.472 -1.073 2.869) 3.099 10.966 ( -0.077 -2.151 0.394) 2.188 11.016 ( -0.349 -0.843 0.590) 1.086 11.071 ( -0.682 -1.704 -0.324) 1.864 11.221 ( -0.424 4.553 -0.351) 4.586 11.297 ( 2.415 5.199 2.278) 6.169 11.351 ( -1.770 4.836 -5.592) 7.602 11.503 ( -2.165 5.726 -3.406) 7.005 11.574 ( 3.992 -0.295 -5.568) 6.857 11.696 ( -2.210 -1.048 -7.430) 7.822 ======================= Grid point 51 (28/45) ======================= q-point: (-0.50 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( -6.496 7.606 13.151) 16.523 1.083 ( -6.562 6.668 10.289) 13.906 1.187 ( 0.486 3.519 12.566) 13.059 1.312 ( 9.597 5.012 11.878) 16.072 1.380 ( -2.989 -1.615 6.362) 7.212 1.453 ( -1.692 -3.375 5.802) 6.922 1.521 ( 1.836 -1.554 5.300) 5.821 1.651 ( 2.346 -9.388 3.551) 10.308 1.664 ( -2.809 -6.610 6.903) 9.961 1.718 ( 3.848 -1.186 -0.370) 4.043 1.744 ( -1.624 -2.692 0.840) 3.254 1.826 ( -4.570 -4.818 2.993) 7.284 1.847 ( 0.444 -2.217 -2.262) 3.198 1.934 ( -1.852 -0.617 -1.316) 2.354 1.970 ( -3.576 -3.387 1.135) 5.054 2.072 ( -0.547 -2.671 -6.591) 7.133 2.084 ( -1.231 2.799 4.532) 5.467 2.135 ( 0.739 6.352 -3.308) 7.200 2.215 ( -4.025 -1.681 -5.076) 6.693 2.248 ( -2.182 2.920 -2.195) 4.255 2.313 ( 2.465 0.446 2.169) 3.314 2.340 ( -0.548 -0.321 0.113) 0.645 2.361 ( 1.712 3.227 3.013) 4.735 2.428 ( 2.615 0.479 1.955) 3.300 2.447 ( -2.634 0.029 0.067) 2.635 2.477 ( -1.290 -3.425 -2.773) 4.591 2.535 ( 0.939 0.445 1.901) 2.166 2.594 ( -3.382 3.069 3.001) 5.465 2.618 ( 0.688 -0.403 -3.378) 3.471 2.645 ( 3.011 0.763 -0.104) 3.108 2.706 ( 2.152 -3.384 -0.063) 4.011 2.776 ( 2.109 -1.304 1.176) 2.744 2.805 ( 0.074 -2.193 -2.690) 3.472 2.854 ( 0.997 7.754 3.684) 8.642 2.911 ( -1.193 -4.180 -6.022) 7.427 2.932 ( 1.275 -1.919 -1.456) 2.725 3.012 ( 3.770 2.255 0.352) 4.407 3.021 ( 0.188 1.541 0.839) 1.765 3.025 ( -1.217 2.882 -3.271) 4.526 3.090 ( -0.250 -2.028 0.428) 2.087 3.159 ( -1.216 3.856 2.636) 4.826 3.187 ( -1.221 2.710 -0.650) 3.043 3.267 ( 0.916 1.129 -5.465) 5.655 3.295 ( -0.196 1.599 -1.626) 2.289 3.323 ( 1.370 2.561 -1.207) 3.145 3.327 ( 0.163 -0.643 1.597) 1.729 3.343 ( 0.372 0.006 1.250) 1.304 3.401 ( -1.246 -0.590 2.780) 3.103 3.465 ( 2.470 2.117 0.952) 3.389 3.482 ( -3.086 -0.363 -1.520) 3.459 3.534 ( -0.523 -1.011 -1.619) 1.979 3.581 ( 2.843 -4.546 2.835) 6.065 3.607 ( 0.310 1.040 -0.290) 1.123 3.638 ( -2.525 -3.093 1.460) 4.251 3.683 ( 1.470 -4.020 1.401) 4.504 3.721 ( -3.537 1.024 -1.726) 4.066 3.741 ( -2.479 0.052 0.099) 2.482 3.795 ( -0.788 1.242 2.719) 3.091 3.811 ( 0.239 0.114 -1.884) 1.902 3.838 ( 0.555 -1.220 2.281) 2.645 3.850 ( -2.173 -3.289 -1.695) 4.291 3.901 ( -1.538 -3.384 1.675) 4.077 3.931 ( 1.072 2.827 -0.916) 3.159 3.959 ( 0.579 1.419 0.833) 1.744 4.007 ( 0.908 2.932 2.265) 3.815 4.102 ( -3.288 -0.740 3.196) 4.645 4.109 ( 0.358 -0.123 2.528) 2.557 4.167 ( 0.149 -1.103 -0.318) 1.158 4.193 ( -0.813 0.727 -2.469) 2.699 4.238 ( 2.875 -1.495 0.298) 3.254 4.263 ( -0.843 0.897 0.365) 1.284 4.281 ( -0.112 -1.363 4.464) 4.669 4.315 ( -1.159 -0.302 1.827) 2.185 4.374 ( 0.575 -0.901 0.597) 1.224 4.396 ( -2.600 3.250 0.073) 4.163 4.407 ( -0.402 0.115 -0.197) 0.462 4.449 ( 0.526 1.853 0.560) 2.006 4.516 ( -2.450 3.097 -1.386) 4.185 4.555 ( 1.271 0.045 1.542) 1.998 4.587 ( -2.784 -1.698 -1.052) 3.426 4.604 ( 5.925 -0.826 -0.684) 6.022 4.622 ( 2.219 -1.795 0.548) 2.907 4.655 ( 2.370 0.591 -1.664) 2.956 4.720 ( 0.433 -0.856 -5.995) 6.071 4.747 ( -2.655 -1.520 -0.238) 3.068 4.802 ( -0.792 -1.508 -2.149) 2.742 4.885 ( 3.282 -4.551 -1.550) 5.821 4.935 ( 2.152 0.995 0.435) 2.410 4.964 ( -0.448 1.464 -3.613) 3.924 5.004 ( -0.485 1.906 -3.027) 3.610 5.027 ( -1.040 3.426 1.785) 4.001 5.089 ( 1.537 -0.273 2.188) 2.688 5.111 ( -2.341 2.721 -0.200) 3.595 5.128 ( 1.942 -2.372 -0.422) 3.095 5.209 ( -0.980 -2.679 0.226) 2.861 5.243 ( 2.926 -1.398 -2.736) 4.243 5.304 ( 2.411 1.620 -4.066) 4.997 5.316 ( -0.732 -0.039 -1.955) 2.088 5.385 ( -2.277 -0.590 -2.488) 3.424 5.448 ( -0.484 0.066 0.446) 0.662 5.480 ( 3.960 1.726 1.413) 4.546 5.537 ( 1.492 -0.035 -0.090) 1.495 5.555 ( 0.808 -3.268 -2.659) 4.290 5.589 ( 0.002 0.331 -1.714) 1.745 5.636 ( 0.783 2.887 -4.518) 5.419 5.682 ( 2.918 0.160 5.878) 6.564 5.684 ( -2.885 -4.054 -1.802) 5.292 5.756 ( -0.325 1.423 -2.905) 3.251 5.769 ( 0.333 3.622 0.497) 3.671 5.836 ( -0.547 2.726 -1.690) 3.254 5.849 ( -2.255 1.193 0.489) 2.598 5.915 ( -2.060 0.294 1.881) 2.805 5.944 ( -0.402 -0.157 2.574) 2.610 5.976 ( -0.179 0.693 2.065) 2.186 6.003 ( -1.369 3.545 -2.229) 4.406 6.062 ( -4.054 -1.206 4.702) 6.325 6.114 ( 0.830 -3.054 -3.616) 4.805 6.172 ( -2.517 2.490 2.537) 4.355 6.180 ( 0.289 -1.385 -2.482) 2.857 6.239 ( -1.910 -0.344 -3.358) 3.879 6.281 ( -2.608 1.388 3.287) 4.420 6.298 ( 0.863 2.275 1.974) 3.133 6.336 ( 0.542 -2.374 0.728) 2.541 6.421 ( -2.289 -2.005 2.208) 3.759 6.480 ( 2.354 3.505 -0.912) 4.319 6.536 ( 2.604 1.097 -3.949) 4.855 6.619 ( -0.051 -0.870 -1.700) 1.910 6.705 ( 2.590 2.255 -1.720) 3.841 6.727 ( 1.198 -2.585 -3.361) 4.406 6.794 ( 2.388 0.981 -0.891) 2.731 6.817 ( 3.394 -0.175 -2.711) 4.347 6.862 ( -0.893 -0.263 -3.421) 3.545 6.915 ( 0.116 1.462 -0.914) 1.728 6.954 ( -0.167 3.006 -0.507) 3.053 7.008 ( -1.433 -0.250 0.921) 1.722 7.195 ( 1.156 -4.921 -3.557) 6.181 7.892 ( 2.838 0.432 1.508) 3.242 7.921 ( 1.882 -0.606 0.294) 1.999 7.970 ( -1.837 0.318 0.197) 1.875 7.986 ( -2.202 -0.293 0.933) 2.409 8.859 ( -2.445 0.177 5.349) 5.884 8.864 ( -2.865 0.386 4.833) 5.632 8.897 ( 1.328 2.974 2.882) 4.349 9.096 ( -2.350 -4.440 -0.375) 5.038 9.352 ( 6.407 1.112 2.302) 6.898 9.401 ( 0.202 -0.048 3.306) 3.313 9.495 ( -1.013 -0.186 2.042) 2.287 9.694 ( -3.755 -8.115 -3.625) 9.649 9.908 ( -0.037 0.046 1.072) 1.074 9.917 ( 0.583 -0.383 0.992) 1.212 9.953 ( -0.305 -0.170 2.127) 2.155 9.974 ( -1.018 -2.260 2.221) 3.328 10.369 ( 1.373 0.008 1.942) 2.378 10.372 ( 2.235 -0.148 2.260) 3.182 10.452 ( -1.716 0.635 1.694) 2.493 10.558 ( -2.424 -3.655 -2.459) 5.028 10.837 ( 0.033 -0.671 2.216) 2.316 10.846 ( -0.088 -2.508 3.100) 3.988 10.893 ( -3.473 -0.518 1.044) 3.663 10.987 ( 0.122 -3.685 -0.753) 3.763 11.005 ( 1.238 1.171 0.908) 1.931 11.102 ( 2.095 -1.908 1.884) 3.403 11.194 ( -1.424 5.360 -1.350) 5.708 11.285 ( -3.438 2.910 -2.308) 5.061 11.360 ( 3.434 10.282 -0.240) 10.843 11.463 ( -0.746 3.095 -1.575) 3.552 11.626 ( -2.050 -0.595 -6.127) 6.488 11.652 ( 4.863 -1.041 -6.501) 8.185 ======================= Grid point 52 (29/45) ======================= q-point: (-0.25 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -7.443 11.309 14.912) 20.141 1.005 ( -3.272 8.301 18.754) 20.768 1.239 ( -0.437 0.908 6.710) 6.785 1.393 ( 1.667 -5.483 8.516) 10.265 1.437 ( 0.975 -1.804 6.979) 7.274 1.513 ( 4.514 -0.978 4.057) 6.147 1.554 ( -1.178 -9.508 6.095) 11.355 1.629 ( -2.786 -5.961 4.604) 8.030 1.655 ( -2.298 -0.304 9.997) 10.262 1.714 ( 1.343 -0.046 3.019) 3.305 1.788 ( -2.740 -2.366 5.636) 6.699 1.833 ( 3.898 -3.257 1.713) 5.361 1.851 ( 2.448 1.411 -6.191) 6.806 1.914 ( -0.922 2.819 5.736) 6.457 1.933 ( -0.080 0.808 2.377) 2.512 2.029 ( 2.446 -1.948 -4.121) 5.173 2.079 ( -2.270 -2.255 -1.115) 3.389 2.132 ( -1.646 1.118 -3.034) 3.629 2.165 ( -1.271 0.771 -1.759) 2.303 2.194 ( -0.184 1.828 -0.930) 2.059 2.283 ( -4.449 -0.859 -5.635) 7.231 2.329 ( -2.495 1.756 1.905) 3.596 2.370 ( -1.079 2.901 -2.256) 3.830 2.412 ( 0.387 0.088 0.629) 0.744 2.420 ( 4.369 -1.352 0.499) 4.601 2.511 ( 1.102 0.119 2.907) 3.111 2.515 ( -6.489 -0.232 1.545) 6.675 2.575 ( 1.726 -1.504 1.048) 2.518 2.654 ( -1.199 -0.823 -2.434) 2.836 2.675 ( 4.820 -2.598 3.008) 6.247 2.754 ( 4.049 -2.356 -5.103) 6.927 2.806 ( 1.391 -2.357 0.906) 2.883 2.824 ( -1.988 -0.762 -4.533) 5.008 2.855 ( 1.900 3.215 -3.572) 5.168 2.917 ( 3.057 -2.788 -7.725) 8.763 2.964 ( 0.193 2.620 0.019) 2.627 2.985 ( -1.308 4.962 -4.155) 6.603 3.020 ( -0.399 1.112 2.136) 2.441 3.070 ( 0.934 2.667 2.432) 3.728 3.109 ( 2.576 6.409 2.557) 7.365 3.171 ( 0.176 3.523 2.009) 4.060 3.192 ( 0.282 -0.028 2.158) 2.177 3.209 ( -2.662 -0.334 -2.787) 3.869 3.274 ( -2.682 -0.727 2.901) 4.017 3.317 ( -0.795 -1.423 -1.204) 2.026 3.339 ( -0.521 -0.220 -1.660) 1.754 3.387 ( 0.688 1.426 -0.178) 1.593 3.417 ( 4.476 0.196 2.411) 5.088 3.455 ( 2.601 0.822 0.583) 2.789 3.487 ( -1.457 -3.096 -5.568) 6.536 3.537 ( -0.761 -2.694 2.280) 3.610 3.578 ( 2.537 0.867 0.447) 2.718 3.597 ( -3.818 -0.815 -1.972) 4.374 3.635 ( 1.244 -0.919 1.776) 2.355 3.664 ( -0.088 1.014 1.230) 1.596 3.711 ( -0.523 -2.972 -0.398) 3.044 3.730 ( -1.384 -3.139 0.465) 3.462 3.775 ( -0.878 -1.324 3.410) 3.762 3.797 ( -0.251 -2.075 1.209) 2.415 3.825 ( 1.367 1.094 2.592) 3.128 3.851 ( -1.549 0.380 1.564) 2.234 3.899 ( 1.662 -0.847 1.690) 2.517 3.917 ( 0.809 0.564 -0.206) 1.007 3.971 ( -1.449 0.140 0.294) 1.486 4.040 ( -5.274 2.876 -2.134) 6.375 4.058 ( -2.498 3.186 1.030) 4.177 4.099 ( 2.519 2.774 -0.822) 3.837 4.122 ( -2.224 1.215 -2.666) 3.678 4.152 ( 0.679 -0.492 1.198) 1.462 4.209 ( -3.439 -1.163 2.524) 4.421 4.268 ( -0.835 0.471 -1.583) 1.851 4.300 ( 0.990 -0.913 1.386) 1.933 4.334 ( 1.168 0.002 5.479) 5.602 4.356 ( 1.607 5.464 -1.852) 5.988 4.399 ( 0.001 0.456 3.872) 3.898 4.442 ( 0.292 -0.378 1.190) 1.282 4.457 ( -0.208 0.064 -2.194) 2.205 4.523 ( 2.787 -1.976 0.552) 3.461 4.550 ( 0.907 -1.290 1.695) 2.315 4.581 ( 2.413 -2.227 -3.056) 4.485 4.625 ( -0.277 -0.989 -3.202) 3.363 4.680 ( 0.102 -1.254 -0.711) 1.445 4.708 ( 0.696 -2.893 0.160) 2.979 4.727 ( 0.608 -0.873 -2.954) 3.140 4.743 ( -0.486 -1.952 2.459) 3.177 4.815 ( 3.801 2.248 -2.048) 4.868 4.879 ( -2.576 1.155 -3.668) 4.629 4.895 ( -4.317 2.999 -2.152) 5.680 4.930 ( 0.316 -2.089 0.496) 2.170 4.992 ( -1.146 1.805 1.417) 2.565 5.028 ( 2.281 -1.114 -4.487) 5.155 5.068 ( -0.617 0.651 0.240) 0.929 5.134 ( 1.536 -1.890 -0.759) 2.551 5.189 ( 1.570 0.192 0.720) 1.738 5.216 ( 1.530 -0.639 0.780) 1.832 5.236 ( -0.019 -1.741 -3.703) 4.092 5.300 ( -1.718 1.631 1.850) 3.006 5.349 ( -1.281 0.295 0.411) 1.378 5.362 ( 1.341 -0.085 -0.283) 1.373 5.447 ( -1.312 -0.422 1.289) 1.887 5.507 ( -1.233 1.514 0.574) 2.035 5.549 ( 0.534 4.170 -0.605) 4.247 5.576 ( 3.699 -1.593 -0.823) 4.111 5.589 ( -1.644 -1.511 -3.067) 3.793 5.612 ( -1.439 -2.276 -1.733) 3.202 5.640 ( 2.600 -0.332 -1.666) 3.106 5.717 ( -2.062 0.787 0.814) 2.352 5.761 ( 0.142 3.201 -4.492) 5.518 5.778 ( -0.364 0.963 -3.965) 4.096 5.823 ( 2.405 0.922 1.232) 2.855 5.841 ( 0.592 0.279 -0.470) 0.806 5.879 ( 0.176 2.508 -1.146) 2.763 5.935 ( -0.752 -1.139 -3.455) 3.715 5.992 ( -0.727 2.207 2.623) 3.504 6.000 ( 1.486 0.861 3.584) 3.974 6.041 ( 1.414 -0.785 2.674) 3.125 6.096 ( -1.826 1.092 -1.300) 2.493 6.137 ( -0.652 -0.724 1.776) 2.026 6.178 ( -0.501 -0.193 0.149) 0.557 6.201 ( -0.694 -0.813 -2.276) 2.515 6.234 ( -2.006 1.697 1.877) 3.229 6.287 ( -2.124 0.124 3.165) 3.814 6.323 ( -1.644 -2.691 -0.518) 3.196 6.390 ( -1.359 -1.571 1.584) 2.613 6.505 ( 0.788 5.618 -1.598) 5.894 6.574 ( 1.013 1.562 -1.562) 2.430 6.623 ( 0.938 -0.502 -1.301) 1.681 6.738 ( 0.794 -2.969 -3.607) 4.739 6.758 ( 3.009 3.853 -2.456) 5.470 6.784 ( -2.623 1.750 -0.863) 3.269 6.854 ( 1.303 -0.876 -2.604) 3.041 6.887 ( 2.789 0.687 -1.876) 3.431 6.932 ( -1.439 -0.217 1.641) 2.194 6.960 ( 4.010 -0.856 -3.287) 5.255 6.988 ( 0.065 1.338 -0.722) 1.522 7.165 ( -3.065 -4.256 -4.557) 6.948 7.913 ( -1.556 -0.179 -0.826) 1.770 7.916 ( -1.626 -0.209 -0.368) 1.681 8.003 ( 3.846 -0.354 1.980) 4.340 8.007 ( 4.056 -0.386 2.058) 4.565 8.782 ( -5.905 0.553 3.230) 6.754 8.811 ( -3.400 -0.879 3.488) 4.950 8.896 ( -1.817 2.307 3.859) 4.849 9.003 ( -5.954 -1.923 3.716) 7.277 9.399 ( -0.254 0.000 5.053) 5.060 9.525 ( 7.999 -1.503 -1.552) 8.286 9.564 ( 4.776 -1.372 1.253) 5.125 9.615 ( -1.978 -7.023 -0.173) 7.298 9.896 ( -1.246 -0.005 0.739) 1.449 9.904 ( -1.981 -0.845 0.891) 2.331 9.954 ( -0.493 0.017 2.280) 2.332 9.970 ( -0.058 -0.894 2.327) 2.494 10.387 ( -0.787 0.196 0.893) 1.206 10.425 ( -0.482 0.698 1.932) 2.111 10.462 ( 4.893 -4.684 4.060) 7.897 10.495 ( -2.868 -1.895 -2.424) 4.206 10.835 ( -1.858 -1.531 2.659) 3.587 10.851 ( -0.273 -0.832 3.092) 3.214 10.858 ( 0.579 -2.256 1.842) 2.969 10.981 ( -0.089 -5.089 -0.590) 5.124 11.043 ( 0.938 2.358 1.163) 2.791 11.126 ( 0.618 1.667 -0.811) 1.954 11.180 ( -0.242 3.279 0.831) 3.391 11.232 ( -1.056 2.428 0.195) 2.655 11.407 ( 1.605 8.780 -5.005) 10.233 11.477 ( 2.960 4.726 -1.971) 5.915 11.571 ( -1.369 1.247 -5.603) 5.901 11.721 ( 3.932 -0.610 -7.786) 8.744 ======================= Grid point 53 (30/45) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -3.901 -6.316 14.697) 16.466 1.140 ( -3.901 6.316 14.697) 16.466 1.252 ( -0.683 -6.164 7.892) 10.037 1.252 ( -0.683 6.164 7.892) 10.037 1.354 ( -1.001 -9.183 5.371) 10.686 1.354 ( -1.001 9.183 5.371) 10.686 1.568 ( -0.486 -2.428 8.729) 9.073 1.568 ( -0.486 2.428 8.729) 9.073 1.612 ( -3.079 -1.029 -0.073) 3.247 1.612 ( -3.079 1.029 -0.073) 3.247 1.795 ( 0.116 -2.555 -5.853) 6.388 1.795 ( 0.116 2.555 -5.853) 6.388 1.921 ( -1.614 -2.151 4.732) 5.443 1.921 ( -1.614 2.151 4.732) 5.443 2.079 ( 0.798 -5.409 2.465) 5.997 2.079 ( 0.798 5.409 2.465) 5.997 2.145 ( 4.780 -1.005 -1.061) 4.999 2.145 ( 4.780 1.005 -1.061) 4.999 2.205 ( 4.402 -1.142 -0.330) 4.560 2.205 ( 4.402 1.142 -0.330) 4.560 2.311 ( -1.722 -3.450 6.688) 7.720 2.311 ( -1.722 3.450 6.688) 7.720 2.354 ( 0.913 -4.278 -4.118) 6.008 2.354 ( 0.913 4.278 -4.118) 6.008 2.459 ( -0.487 -2.190 0.493) 2.297 2.459 ( -0.487 2.190 0.493) 2.297 2.562 ( -0.634 -4.116 -0.604) 4.208 2.562 ( -0.634 4.116 -0.604) 4.208 2.637 ( 2.566 -1.912 0.990) 3.350 2.637 ( 2.566 1.912 0.990) 3.350 2.752 ( -3.318 -1.602 -4.641) 5.926 2.752 ( -3.318 1.602 -4.641) 5.926 2.836 ( 1.591 -2.241 -0.278) 2.762 2.836 ( 1.591 2.241 -0.278) 2.762 2.934 ( -1.182 -3.042 -4.674) 5.701 2.934 ( -1.182 3.042 -4.674) 5.701 3.027 ( -4.016 -3.112 -2.692) 5.750 3.027 ( -4.016 3.112 -2.692) 5.750 3.097 ( 0.946 -0.827 -2.491) 2.789 3.097 ( 0.946 0.827 -2.491) 2.789 3.166 ( -2.292 -0.920 1.295) 2.788 3.166 ( -2.292 0.920 1.295) 2.788 3.231 ( -0.269 -2.172 1.179) 2.486 3.231 ( -0.269 2.172 1.179) 2.486 3.320 ( 1.788 -3.357 2.142) 4.365 3.320 ( 1.788 3.357 2.142) 4.365 3.446 ( -0.204 -2.017 2.888) 3.528 3.446 ( -0.204 2.017 2.888) 3.528 3.483 ( -0.848 -2.932 -1.063) 3.232 3.483 ( -0.848 2.932 -1.063) 3.232 3.570 ( 3.201 -1.173 -2.316) 4.121 3.570 ( 3.201 1.173 -2.316) 4.121 3.606 ( -0.653 -4.025 0.003) 4.078 3.606 ( -0.653 4.025 0.003) 4.078 3.718 ( -0.783 -1.311 0.144) 1.534 3.718 ( -0.783 1.311 0.144) 1.534 3.747 ( 4.617 -2.631 2.695) 5.959 3.747 ( 4.617 2.631 2.695) 5.959 3.783 ( 0.678 -4.492 0.866) 4.625 3.783 ( 0.678 4.492 0.866) 4.625 3.898 ( -1.006 -2.855 4.875) 5.739 3.898 ( -1.006 2.855 4.875) 5.739 3.925 ( -1.194 -0.791 -0.552) 1.535 3.925 ( -1.194 0.791 -0.552) 1.535 4.016 ( -0.784 -2.088 -0.946) 2.422 4.016 ( -0.784 2.088 -0.946) 2.422 4.133 ( -2.904 -4.874 1.039) 5.768 4.133 ( -2.904 4.874 1.039) 5.768 4.216 ( 2.028 -4.503 1.756) 5.242 4.216 ( 2.028 4.503 1.756) 5.242 4.263 ( 1.000 -2.376 0.732) 2.679 4.263 ( 1.000 2.376 0.732) 2.679 4.354 ( -0.478 -2.775 2.890) 4.035 4.354 ( -0.478 2.775 2.890) 4.035 4.423 ( -1.956 -0.522 -1.734) 2.665 4.423 ( -1.956 0.522 -1.734) 2.665 4.500 ( 0.367 -1.904 2.526) 3.185 4.500 ( 0.367 1.904 2.526) 3.185 4.583 ( -0.664 -6.225 -5.203) 8.140 4.583 ( -0.664 6.225 -5.203) 8.140 4.615 ( 1.714 -2.189 -4.241) 5.071 4.615 ( 1.714 2.189 -4.241) 5.071 4.711 ( 2.128 -1.635 0.519) 2.733 4.711 ( 2.128 1.635 0.519) 2.733 4.765 ( -2.927 -3.370 0.232) 4.470 4.765 ( -2.927 3.370 0.232) 4.470 4.841 ( -0.880 -1.271 1.195) 1.954 4.841 ( -0.880 1.271 1.195) 1.954 5.003 ( -0.351 -1.120 -2.334) 2.613 5.003 ( -0.351 1.120 -2.334) 2.613 5.077 ( 2.035 -2.514 -4.140) 5.253 5.077 ( 2.035 2.514 -4.140) 5.253 5.122 ( 1.239 -0.686 -0.145) 1.424 5.122 ( 1.239 0.686 -0.145) 1.424 5.229 ( -0.825 -1.774 -0.145) 1.962 5.229 ( -0.825 1.774 -0.145) 1.962 5.335 ( -0.592 -2.203 -2.187) 3.160 5.335 ( -0.592 2.203 -2.187) 3.160 5.402 ( -0.207 -3.201 3.938) 5.079 5.402 ( -0.207 3.201 3.938) 5.079 5.510 ( 0.498 -0.923 -3.053) 3.228 5.510 ( 0.498 0.923 -3.053) 3.228 5.578 ( -1.293 -1.774 0.202) 2.205 5.578 ( -1.293 1.774 0.202) 2.205 5.655 ( -2.306 -0.364 0.539) 2.396 5.655 ( -2.306 0.364 0.539) 2.396 5.697 ( 1.115 -1.505 -6.017) 6.301 5.697 ( 1.115 1.505 -6.017) 6.301 5.817 ( -0.401 -2.926 -0.569) 3.007 5.817 ( -0.401 2.926 -0.569) 3.007 5.889 ( 3.193 -2.046 0.695) 3.855 5.889 ( 3.193 2.046 0.695) 3.855 6.028 ( 0.885 -4.277 -2.560) 5.063 6.028 ( 0.885 4.277 -2.560) 5.063 6.072 ( 1.479 -1.924 2.725) 3.649 6.072 ( 1.479 1.924 2.725) 3.649 6.129 ( 2.858 -3.303 0.443) 4.391 6.129 ( 2.858 3.303 0.443) 4.391 6.141 ( -0.544 -2.811 2.099) 3.550 6.141 ( -0.544 2.811 2.099) 3.550 6.266 ( 0.402 -0.231 0.314) 0.560 6.266 ( 0.402 0.231 0.314) 0.560 6.320 ( -0.313 -3.786 0.024) 3.799 6.320 ( -0.313 3.786 0.024) 3.799 6.591 ( -1.532 -1.806 -1.268) 2.686 6.591 ( -1.532 1.806 -1.268) 2.686 6.636 ( -0.128 -4.754 -2.533) 5.388 6.636 ( -0.128 4.754 -2.533) 5.388 6.758 ( -2.870 -1.691 -0.607) 3.386 6.758 ( -2.870 1.691 -0.607) 3.386 6.921 ( 0.290 -2.056 -0.866) 2.249 6.921 ( 0.290 2.056 -0.866) 2.249 6.976 ( 2.831 -3.226 -3.123) 5.308 6.976 ( 2.831 3.226 -3.123) 5.308 7.010 ( -1.253 -1.060 -0.589) 1.743 7.010 ( -1.253 1.060 -0.589) 1.743 7.884 ( -1.065 -0.191 -0.325) 1.130 7.884 ( -1.065 0.191 -0.325) 1.130 8.052 ( 0.301 -0.234 1.665) 1.708 8.052 ( 0.301 0.234 1.665) 1.708 8.763 ( 2.342 -2.297 1.389) 3.563 8.763 ( 2.342 2.297 1.389) 3.563 8.904 ( -2.211 -1.206 3.867) 4.615 8.904 ( -2.211 1.206 3.867) 4.615 9.405 ( -3.081 -1.542 7.656) 8.396 9.405 ( -3.081 1.542 7.656) 8.396 9.667 ( 3.080 -1.351 -1.288) 3.601 9.667 ( 3.080 1.351 -1.288) 3.601 9.876 ( -0.421 -0.189 0.488) 0.671 9.876 ( -0.421 0.189 0.488) 0.671 9.956 ( -0.561 -0.626 2.710) 2.838 9.956 ( -0.561 0.626 2.710) 2.838 10.385 ( -1.794 -1.884 -1.346) 2.929 10.385 ( -1.794 1.884 -1.346) 2.929 10.469 ( 1.324 -1.931 3.608) 4.301 10.469 ( 1.324 1.931 3.608) 4.301 10.811 ( -0.289 -1.191 2.123) 2.451 10.811 ( -0.289 1.191 2.123) 2.451 10.904 ( 1.063 -2.254 2.586) 3.591 10.904 ( 1.063 2.254 2.586) 3.591 11.084 ( -2.663 -2.618 -0.699) 3.800 11.084 ( -2.663 2.618 -0.699) 3.800 11.260 ( 2.532 -1.826 0.431) 3.151 11.260 ( 2.532 1.826 0.431) 3.151 11.480 ( 0.062 -3.580 -4.281) 5.581 11.480 ( 0.062 3.580 -4.281) 5.581 11.696 ( 0.492 -4.189 -9.563) 10.452 11.696 ( 0.492 4.189 -9.563) 10.452 ======================= Grid point 55 (31/45) ======================= q-point: ( 0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.139 -2.833 14.306) 14.585 1.150 ( 0.139 2.833 14.306) 14.585 1.276 ( -0.391 -4.777 6.412) 8.005 1.276 ( -0.391 4.777 6.412) 8.005 1.347 ( -0.179 -9.355 7.158) 11.780 1.347 ( -0.179 9.355 7.158) 11.780 1.519 ( -3.316 -9.071 4.920) 10.839 1.519 ( -3.316 9.071 4.920) 10.839 1.610 ( 0.043 -2.310 4.188) 4.783 1.610 ( 0.043 2.310 4.188) 4.783 1.788 ( -0.709 -0.834 -3.129) 3.315 1.788 ( -0.709 0.834 -3.129) 3.315 1.879 ( -3.458 -3.354 1.803) 5.144 1.879 ( -3.458 3.354 1.803) 5.144 2.075 ( -2.527 -4.211 -0.859) 4.986 2.075 ( -2.527 4.211 -0.859) 4.986 2.195 ( 2.650 -0.168 -0.606) 2.724 2.195 ( 2.650 0.168 -0.606) 2.724 2.251 ( 1.131 -2.581 -0.991) 2.987 2.251 ( 1.131 2.581 -0.991) 2.987 2.294 ( -1.385 -1.672 -0.099) 2.173 2.294 ( -1.385 1.672 -0.099) 2.173 2.411 ( -0.028 -4.457 -0.337) 4.470 2.411 ( -0.028 4.457 -0.337) 4.470 2.436 ( 3.650 -5.463 -0.249) 6.575 2.436 ( 3.650 5.463 -0.249) 6.575 2.582 ( -0.893 -2.279 -3.747) 4.476 2.582 ( -0.893 2.279 -3.747) 4.476 2.636 ( -2.299 -2.879 3.545) 5.113 2.636 ( -2.299 2.879 3.545) 5.113 2.722 ( 1.999 -3.953 0.893) 4.519 2.722 ( 1.999 3.953 0.893) 4.519 2.825 ( -0.620 -3.020 -0.380) 3.106 2.825 ( -0.620 3.020 -0.380) 3.106 2.897 ( -1.074 -1.362 -4.627) 4.941 2.897 ( -1.074 1.362 -4.627) 4.941 2.998 ( 1.515 -4.307 -1.385) 4.771 2.998 ( 1.515 4.307 -1.385) 4.771 3.100 ( -0.456 -4.492 0.512) 4.544 3.100 ( -0.456 4.492 0.512) 4.544 3.161 ( 0.039 -4.257 0.304) 4.268 3.161 ( 0.039 4.257 0.304) 4.268 3.266 ( 3.758 -1.442 2.476) 4.725 3.266 ( 3.758 1.442 2.476) 4.725 3.344 ( -0.717 -3.866 1.985) 4.405 3.344 ( -0.717 3.866 1.985) 4.405 3.405 ( -2.056 -4.509 1.355) 5.138 3.405 ( -2.056 4.509 1.355) 5.138 3.484 ( 0.038 -2.282 -0.959) 2.475 3.484 ( 0.038 2.282 -0.959) 2.475 3.551 ( -2.181 -1.393 -1.693) 3.093 3.551 ( -2.181 1.393 -1.693) 3.093 3.619 ( -0.131 -0.905 0.425) 1.008 3.619 ( -0.131 0.905 0.425) 1.008 3.698 ( -1.936 -1.720 0.451) 2.628 3.698 ( -1.936 1.720 0.451) 2.628 3.790 ( 0.399 -1.374 0.348) 1.472 3.790 ( 0.399 1.374 0.348) 1.472 3.819 ( 1.100 -2.674 1.325) 3.181 3.819 ( 1.100 2.674 1.325) 3.181 3.874 ( -0.930 -3.034 -0.876) 3.292 3.874 ( -0.930 3.034 -0.876) 3.292 3.942 ( 2.684 -3.445 0.817) 4.443 3.942 ( 2.684 3.445 0.817) 4.443 4.040 ( 0.500 -4.846 2.612) 5.527 4.040 ( 0.500 4.846 2.612) 5.527 4.093 ( 0.485 -2.485 -0.147) 2.536 4.093 ( 0.485 2.485 -0.147) 2.536 4.226 ( -0.193 -4.148 4.109) 5.842 4.226 ( -0.193 4.148 4.109) 5.842 4.300 ( -2.004 -4.391 -0.072) 4.827 4.300 ( -2.004 4.391 -0.072) 4.827 4.317 ( -2.944 -3.942 -0.162) 4.923 4.317 ( -2.944 3.942 -0.162) 4.923 4.401 ( 3.333 -1.940 3.775) 5.397 4.401 ( 3.333 1.940 3.775) 5.397 4.511 ( -0.253 -1.418 -0.504) 1.526 4.511 ( -0.253 1.418 -0.504) 1.526 4.558 ( -0.456 -3.544 -1.552) 3.896 4.558 ( -0.456 3.544 -1.552) 3.896 4.637 ( 1.270 -4.236 -6.096) 7.531 4.637 ( 1.270 4.236 -6.096) 7.531 4.683 ( -3.382 -3.235 -1.654) 4.964 4.683 ( -3.382 3.235 -1.654) 4.964 4.768 ( 3.036 -0.938 1.022) 3.337 4.768 ( 3.036 0.938 1.022) 3.337 4.898 ( 1.050 -0.666 1.260) 1.770 4.898 ( 1.050 0.666 1.260) 1.770 4.930 ( -1.227 -5.702 -3.485) 6.794 4.930 ( -1.227 5.702 -3.485) 6.794 5.078 ( 0.037 -1.441 -1.216) 1.886 5.078 ( 0.037 1.441 -1.216) 1.886 5.164 ( 0.852 -1.777 -2.579) 3.245 5.164 ( 0.852 1.777 -2.579) 3.245 5.213 ( -0.647 -1.853 -1.898) 2.730 5.213 ( -0.647 1.853 -1.898) 2.730 5.321 ( 0.743 -1.474 0.578) 1.749 5.321 ( 0.743 1.474 0.578) 1.749 5.392 ( -1.490 -2.294 -1.298) 3.028 5.392 ( -1.490 2.294 -1.298) 3.028 5.536 ( -0.095 -2.564 -2.402) 3.515 5.536 ( -0.095 2.564 -2.402) 3.515 5.562 ( 0.121 -1.290 0.336) 1.338 5.562 ( 0.121 1.290 0.336) 1.338 5.617 ( 1.756 -3.923 0.313) 4.309 5.617 ( 1.756 3.923 0.313) 4.309 5.692 ( 0.082 -1.774 -4.400) 4.745 5.692 ( 0.082 1.774 -4.400) 4.745 5.831 ( 0.919 -2.564 1.762) 3.244 5.831 ( 0.919 2.564 1.762) 3.244 5.941 ( -0.739 -1.000 2.334) 2.645 5.941 ( -0.739 1.000 2.334) 2.645 6.002 ( -1.223 -2.173 0.242) 2.505 6.002 ( -1.223 2.173 0.242) 2.505 6.070 ( -1.526 -2.853 0.606) 3.292 6.070 ( -1.526 2.853 0.606) 3.292 6.139 ( -0.094 -2.081 -1.433) 2.528 6.139 ( -0.094 2.081 -1.433) 2.528 6.202 ( 2.405 -1.434 0.234) 2.810 6.202 ( 2.405 1.434 0.234) 2.810 6.287 ( 1.404 -0.725 1.464) 2.154 6.287 ( 1.404 0.725 1.464) 2.154 6.346 ( 2.935 -3.699 0.111) 4.723 6.346 ( 2.935 3.699 0.111) 4.723 6.537 ( -2.897 -3.108 -1.494) 4.504 6.537 ( -2.897 3.108 -1.494) 4.504 6.638 ( 0.977 -3.948 -3.053) 5.085 6.638 ( 0.977 3.948 -3.053) 5.085 6.725 ( 0.232 -1.833 -1.737) 2.535 6.725 ( 0.232 1.833 -1.737) 2.535 6.882 ( -2.728 -3.328 -0.862) 4.389 6.882 ( -2.728 3.328 -0.862) 4.389 6.975 ( -0.709 -1.818 -0.115) 1.955 6.975 ( -0.709 1.818 -0.115) 1.955 7.050 ( 2.895 -4.898 -1.768) 5.958 7.050 ( 2.895 4.898 -1.768) 5.958 7.877 ( 0.494 -0.659 0.184) 0.844 7.877 ( 0.494 0.659 0.184) 0.844 8.025 ( -2.778 -0.476 1.005) 2.992 8.025 ( -2.778 0.476 1.005) 2.992 8.862 ( 3.270 -1.605 3.380) 4.969 8.862 ( 3.270 1.605 3.380) 4.969 8.908 ( 4.049 -3.300 0.819) 5.287 8.908 ( 4.049 3.300 0.819) 5.287 9.361 ( -3.194 -1.083 7.342) 8.079 9.361 ( -3.194 1.083 7.342) 8.079 9.647 ( -4.272 -4.368 -1.756) 6.357 9.647 ( -4.272 4.368 -1.756) 6.357 9.890 ( 1.337 -0.113 0.786) 1.555 9.890 ( 1.337 0.113 0.786) 1.555 9.955 ( -0.497 -0.479 2.707) 2.794 9.955 ( -0.497 0.479 2.707) 2.794 10.361 ( -0.410 -0.530 -0.267) 0.722 10.361 ( -0.410 0.530 -0.267) 0.722 10.492 ( 0.062 -2.667 2.571) 3.705 10.492 ( 0.062 2.667 2.571) 3.705 10.818 ( 0.265 -0.760 1.633) 1.820 10.818 ( 0.265 0.760 1.633) 1.820 10.935 ( 0.718 -0.767 3.174) 3.344 10.935 ( 0.718 0.767 3.174) 3.344 11.032 ( -1.743 -1.888 -0.628) 2.645 11.032 ( -1.743 1.888 -0.628) 2.645 11.297 ( 0.835 -2.659 -0.769) 2.891 11.297 ( 0.835 2.659 -0.769) 2.891 11.482 ( 1.809 -5.300 -4.257) 7.035 11.482 ( 1.809 5.300 -4.257) 7.035 11.649 ( -2.114 -3.885 -7.398) 8.619 11.649 ( -2.114 3.885 -7.398) 8.619 ======================= Grid point 57 (32/45) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -0.447 -4.698 12.221) 13.101 1.197 ( -0.447 4.698 12.221) 13.101 1.263 ( -1.454 -5.752 8.626) 10.469 1.263 ( -1.454 5.752 8.626) 10.469 1.376 ( -2.057 -4.748 7.247) 8.905 1.376 ( -2.057 4.748 7.247) 8.905 1.515 ( 1.412 -4.104 6.992) 8.230 1.515 ( 1.412 4.104 6.992) 8.230 1.632 ( 0.184 -3.248 1.995) 3.817 1.632 ( 0.184 3.248 1.995) 3.817 1.759 ( 1.488 -1.297 -1.371) 2.403 1.759 ( 1.488 1.297 -1.371) 2.403 1.848 ( 0.285 -4.463 2.075) 4.930 1.848 ( 0.285 4.463 2.075) 4.930 1.998 ( -3.608 -3.942 -7.182) 8.952 1.998 ( -3.608 3.942 -7.182) 8.952 2.173 ( -3.659 -3.039 -1.587) 5.014 2.173 ( -3.659 3.039 -1.587) 5.014 2.256 ( 0.885 -5.534 1.779) 5.880 2.256 ( 0.885 5.534 1.779) 5.880 2.303 ( -2.593 -2.979 -4.646) 6.098 2.303 ( -2.593 2.979 -4.646) 6.098 2.393 ( 1.860 -2.282 2.483) 3.851 2.393 ( 1.860 2.282 2.483) 3.851 2.498 ( -0.061 -4.165 1.049) 4.295 2.498 ( -0.061 4.165 1.049) 4.295 2.571 ( -3.841 -5.559 2.375) 7.162 2.571 ( -3.841 5.559 2.375) 7.162 2.598 ( 3.562 -1.392 -3.663) 5.296 2.598 ( 3.562 1.392 -3.663) 5.296 2.739 ( 0.695 -2.840 -0.432) 2.956 2.739 ( 0.695 2.840 -0.432) 2.956 2.825 ( -2.184 -4.593 -2.378) 5.614 2.825 ( -2.184 4.593 -2.378) 5.614 2.900 ( 4.588 -4.117 -0.649) 6.199 2.900 ( 4.588 4.117 -0.649) 6.199 3.038 ( 1.175 -2.449 -3.001) 4.048 3.038 ( 1.175 2.449 -3.001) 4.048 3.129 ( 0.984 -5.351 2.132) 5.843 3.129 ( 0.984 5.351 2.132) 5.843 3.173 ( 4.516 -6.583 6.975) 10.601 3.173 ( 4.516 6.583 6.975) 10.601 3.285 ( -3.843 -3.001 3.050) 5.751 3.285 ( -3.843 3.001 3.050) 5.751 3.320 ( -1.495 -3.821 0.255) 4.111 3.320 ( -1.495 3.821 0.255) 4.111 3.402 ( -1.066 -2.886 0.031) 3.077 3.402 ( -1.066 2.886 0.031) 3.077 3.487 ( 3.222 -1.633 -0.537) 3.652 3.487 ( 3.222 1.633 -0.537) 3.652 3.528 ( -2.473 -4.440 -0.812) 5.147 3.528 ( -2.473 4.440 -0.812) 5.147 3.591 ( -0.292 -4.443 -0.836) 4.530 3.591 ( -0.292 4.443 -0.836) 4.530 3.670 ( -1.232 -3.242 1.099) 3.638 3.670 ( -1.232 3.242 1.099) 3.638 3.782 ( -2.392 -2.408 -1.319) 3.642 3.782 ( -2.392 2.408 -1.319) 3.642 3.813 ( -1.004 -2.910 1.324) 3.351 3.813 ( -1.004 2.910 1.324) 3.351 3.837 ( -1.074 -0.808 0.388) 1.399 3.837 ( -1.074 0.808 0.388) 1.399 4.004 ( 0.986 -2.380 -0.184) 2.583 4.004 ( 0.986 2.380 -0.184) 2.583 4.061 ( 2.196 -1.965 1.719) 3.411 4.061 ( 2.196 1.965 1.719) 3.411 4.123 ( 1.528 -4.781 1.671) 5.290 4.123 ( 1.528 4.781 1.671) 5.290 4.200 ( -2.978 -2.678 2.137) 4.540 4.200 ( -2.978 2.678 2.137) 4.540 4.261 ( 0.919 -1.517 2.902) 3.401 4.261 ( 0.919 1.517 2.902) 3.401 4.333 ( 1.058 -2.849 -1.173) 3.258 4.333 ( 1.058 2.849 -1.173) 3.258 4.444 ( -1.822 -1.288 -1.146) 2.508 4.444 ( -1.822 1.288 -1.146) 2.508 4.492 ( 0.293 -4.502 0.030) 4.511 4.492 ( 0.293 4.502 0.030) 4.511 4.587 ( 3.603 -0.282 1.446) 3.892 4.587 ( 3.603 0.282 1.446) 3.892 4.594 ( -2.484 -2.008 -1.098) 3.378 4.594 ( -2.484 2.008 -1.098) 3.378 4.655 ( -0.973 -3.189 -3.462) 4.807 4.655 ( -0.973 3.189 -3.462) 4.807 4.775 ( 0.761 -3.165 -4.554) 5.598 4.775 ( 0.761 3.165 -4.554) 5.598 4.895 ( 2.898 -6.372 -0.817) 7.047 4.895 ( 2.898 6.372 -0.817) 7.047 4.984 ( 0.357 -1.682 -3.357) 3.772 4.984 ( 0.357 1.682 -3.357) 3.772 5.095 ( 1.997 -1.765 -0.218) 2.675 5.095 ( 1.997 1.765 -0.218) 2.675 5.127 ( -2.858 -2.662 0.980) 4.026 5.127 ( -2.858 2.662 0.980) 4.026 5.191 ( -0.259 -2.063 -2.815) 3.499 5.191 ( -0.259 2.063 -2.815) 3.499 5.343 ( 0.338 -2.529 -2.097) 3.303 5.343 ( 0.338 2.529 -2.097) 3.303 5.378 ( 1.947 -3.656 -1.153) 4.300 5.378 ( 1.947 3.656 -1.153) 4.300 5.503 ( -1.161 -0.957 -2.050) 2.543 5.503 ( -1.161 0.957 -2.050) 2.543 5.601 ( 2.129 -3.115 -2.287) 4.412 5.601 ( 2.129 3.115 -2.287) 4.412 5.630 ( -0.837 -3.362 1.456) 3.758 5.630 ( -0.837 3.362 1.456) 3.758 5.726 ( 3.547 -3.530 0.401) 5.020 5.726 ( 3.547 3.530 0.401) 5.020 5.858 ( 0.372 -3.058 0.309) 3.096 5.858 ( 0.372 3.058 0.309) 3.096 5.879 ( -3.046 -0.794 2.724) 4.163 5.879 ( -3.046 0.794 2.724) 4.163 5.970 ( -3.323 -1.743 2.700) 4.623 5.970 ( -3.323 1.743 2.700) 4.623 6.054 ( -1.016 -1.300 0.616) 1.761 6.054 ( -1.016 1.300 0.616) 1.761 6.120 ( -0.511 -5.025 -3.418) 6.099 6.120 ( -0.511 5.025 -3.418) 6.099 6.205 ( -1.314 -1.075 -0.449) 1.756 6.205 ( -1.314 1.075 -0.449) 1.756 6.300 ( -1.141 -0.888 2.885) 3.227 6.300 ( -1.141 0.888 2.885) 3.227 6.369 ( -1.682 -2.694 1.993) 3.750 6.369 ( -1.682 2.694 1.993) 3.750 6.536 ( 3.760 -1.762 -2.871) 5.049 6.536 ( 3.760 1.762 -2.871) 5.049 6.650 ( 1.113 -4.067 -3.562) 5.519 6.650 ( 1.113 4.067 -3.562) 5.519 6.756 ( 3.456 -2.733 -3.703) 5.755 6.756 ( 3.456 2.733 -3.703) 5.755 6.856 ( 0.572 -1.601 -0.996) 1.970 6.856 ( 0.572 1.601 -0.996) 1.970 6.948 ( -2.201 -1.989 1.049) 3.146 6.948 ( -2.201 1.989 1.049) 3.146 7.079 ( 0.740 -5.560 -2.015) 5.960 7.079 ( 0.740 5.560 -2.015) 5.960 7.905 ( 2.201 -0.766 0.744) 2.446 7.905 ( 2.201 0.766 0.744) 2.446 7.978 ( -2.044 -0.432 0.604) 2.175 7.978 ( -2.044 0.432 0.604) 2.175 8.865 ( -2.743 -0.266 5.005) 5.713 8.865 ( -2.743 0.266 5.005) 5.713 8.988 ( 0.470 -5.309 1.406) 5.512 8.988 ( 0.470 5.309 1.406) 5.512 9.383 ( 4.629 -1.594 3.107) 5.799 9.383 ( 4.629 1.594 3.107) 5.799 9.540 ( -5.457 -5.179 0.377) 7.533 9.540 ( -5.457 5.179 0.377) 7.533 9.911 ( 0.111 -0.179 1.027) 1.048 9.911 ( 0.111 0.179 1.027) 1.048 9.953 ( -0.332 -0.249 2.218) 2.256 9.953 ( -0.332 0.249 2.218) 2.256 10.371 ( 1.258 -0.051 1.581) 2.021 10.371 ( 1.258 0.051 1.581) 2.021 10.484 ( -1.465 -2.694 0.586) 3.122 10.484 ( -1.465 2.694 0.586) 3.122 10.824 ( -0.348 -0.205 2.678) 2.708 10.824 ( -0.348 0.205 2.678) 2.708 10.917 ( -2.198 -2.564 -0.345) 3.395 10.917 ( -2.198 2.564 -0.345) 3.395 11.051 ( 2.757 -2.687 2.318) 4.493 11.051 ( 2.757 2.687 2.318) 4.493 11.278 ( -2.040 -2.612 -2.238) 3.999 11.278 ( -2.040 2.612 -2.238) 3.999 11.507 ( 0.994 -1.645 -3.742) 4.207 11.507 ( 0.994 1.645 -3.742) 4.207 11.620 ( 2.227 -1.051 -6.118) 6.595 11.620 ( 2.227 1.051 -6.118) 6.595 ======================= Grid point 59 (33/45) ======================= q-point: (-0.25 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -4.396 -6.725 13.568) 15.768 1.190 ( -4.396 6.725 13.568) 15.768 1.263 ( -2.923 -7.505 10.939) 13.584 1.263 ( -2.923 7.505 10.939) 13.584 1.340 ( -0.353 -1.807 3.385) 3.853 1.340 ( -0.353 1.807 3.385) 3.853 1.552 ( -1.020 -1.660 6.585) 6.867 1.552 ( -1.020 1.660 6.585) 6.867 1.634 ( 1.075 -3.289 1.292) 3.694 1.634 ( 1.075 3.289 1.292) 3.694 1.836 ( 0.159 -2.133 -4.945) 5.388 1.836 ( 0.159 2.133 -4.945) 5.388 1.889 ( 2.830 -5.440 6.519) 8.950 1.889 ( 2.830 5.440 6.519) 8.950 1.977 ( 7.398 -2.129 -4.268) 8.802 1.977 ( 7.398 2.129 -4.268) 8.802 2.100 ( -3.088 -3.339 1.195) 4.703 2.100 ( -3.088 3.339 1.195) 4.703 2.207 ( -4.093 -1.233 -1.895) 4.676 2.207 ( -4.093 1.233 -1.895) 4.676 2.292 ( 1.750 -4.514 0.644) 4.884 2.292 ( 1.750 4.514 0.644) 4.884 2.414 ( -2.012 -0.405 0.693) 2.167 2.414 ( -2.012 0.405 0.693) 2.167 2.469 ( -3.466 -3.396 2.553) 5.483 2.469 ( -3.466 3.396 2.553) 5.483 2.531 ( 2.611 -4.221 2.662) 5.632 2.531 ( 2.611 4.221 2.662) 5.632 2.665 ( -2.708 -1.148 -2.996) 4.198 2.665 ( -2.708 1.148 -2.996) 4.198 2.733 ( 5.760 -3.706 -3.741) 7.804 2.733 ( 5.760 3.706 -3.741) 7.804 2.805 ( -0.000 -2.101 -4.210) 4.705 2.805 ( -0.000 2.101 -4.210) 4.705 2.974 ( 0.228 -3.457 -2.487) 4.265 2.974 ( 0.228 3.457 -2.487) 4.265 3.044 ( 2.150 -0.833 2.012) 3.060 3.044 ( 2.150 0.833 2.012) 3.060 3.148 ( -1.769 -4.757 -0.917) 5.157 3.148 ( -1.769 4.757 -0.917) 5.157 3.192 ( -2.420 -0.537 -0.308) 2.497 3.192 ( -2.420 0.537 -0.308) 2.497 3.257 ( -3.134 -0.852 1.293) 3.496 3.257 ( -3.134 0.852 1.293) 3.496 3.314 ( 0.686 -3.444 4.238) 5.504 3.314 ( 0.686 3.444 4.238) 5.504 3.389 ( 2.248 -1.447 0.839) 2.802 3.389 ( 2.248 1.447 0.839) 2.802 3.481 ( 0.361 -0.917 -1.582) 1.863 3.481 ( 0.361 0.917 -1.582) 1.863 3.540 ( 1.118 -1.266 -0.093) 1.691 3.540 ( 1.118 1.266 -0.093) 1.691 3.621 ( 0.955 -3.023 1.044) 3.338 3.621 ( 0.955 3.023 1.044) 3.338 3.649 ( 1.046 -2.899 0.514) 3.124 3.649 ( 1.046 2.899 0.514) 3.124 3.737 ( -1.313 -1.983 0.381) 2.408 3.737 ( -1.313 1.983 0.381) 2.408 3.800 ( -1.385 -4.587 0.782) 4.855 3.800 ( -1.385 4.587 0.782) 4.855 3.855 ( 2.332 -1.115 3.637) 4.462 3.855 ( 2.332 1.115 3.637) 4.462 3.965 ( -3.160 -1.526 1.826) 3.956 3.965 ( -3.160 1.526 1.826) 3.956 4.098 ( -2.767 -2.172 -3.226) 4.773 4.098 ( -2.767 2.172 -3.226) 4.773 4.140 ( 0.007 -1.913 0.570) 1.996 4.140 ( 0.007 1.913 0.570) 1.996 4.174 ( 1.387 -4.897 1.609) 5.338 4.174 ( 1.387 4.897 1.609) 5.338 4.276 ( -0.689 -2.306 0.342) 2.430 4.276 ( -0.689 2.306 0.342) 2.430 4.329 ( 0.661 -4.238 -0.201) 4.294 4.329 ( 0.661 4.238 -0.201) 4.294 4.423 ( 0.163 -1.301 4.896) 5.069 4.423 ( 0.163 1.301 4.896) 5.069 4.534 ( -2.529 -3.609 -4.796) 6.513 4.534 ( -2.529 3.609 -4.796) 6.513 4.540 ( 4.115 -1.441 1.365) 4.569 4.540 ( 4.115 1.441 1.365) 4.569 4.613 ( -0.549 -3.462 -2.030) 4.051 4.613 ( -0.549 3.462 -2.030) 4.051 4.684 ( 2.748 -1.760 -1.152) 3.461 4.684 ( 2.748 1.760 -1.152) 3.461 4.798 ( 0.765 -3.546 -3.341) 4.932 4.798 ( 0.765 3.546 -3.341) 4.932 4.896 ( -3.555 -1.442 -2.863) 4.787 4.896 ( -3.555 1.442 -2.863) 4.787 4.963 ( 2.397 -2.505 -0.447) 3.495 4.963 ( 2.397 2.505 -0.447) 3.495 5.068 ( -1.545 -1.124 0.593) 2.000 5.068 ( -1.545 1.124 0.593) 2.000 5.132 ( 0.097 -2.745 -3.653) 4.571 5.132 ( 0.097 2.745 -3.653) 4.571 5.221 ( 2.337 -1.090 0.506) 2.628 5.221 ( 2.337 1.090 0.506) 2.628 5.342 ( 0.113 -1.702 -0.517) 1.782 5.342 ( 0.113 1.702 -0.517) 1.782 5.387 ( -0.469 -3.012 -0.461) 3.083 5.387 ( -0.469 3.012 -0.461) 3.083 5.540 ( 4.423 -1.260 -2.054) 5.037 5.540 ( 4.423 1.260 -2.054) 5.037 5.570 ( -1.876 -1.195 -1.487) 2.675 5.570 ( -1.876 1.195 -1.487) 2.675 5.635 ( -0.890 -2.328 0.929) 2.660 5.635 ( -0.890 2.328 0.929) 2.660 5.754 ( -2.167 -2.317 -1.339) 3.444 5.754 ( -2.167 2.317 -1.339) 3.444 5.825 ( 0.078 -0.323 1.513) 1.549 5.825 ( 0.078 0.323 1.513) 1.549 5.872 ( -1.301 -3.376 -0.388) 3.639 5.872 ( -1.301 3.376 -0.388) 3.639 5.970 ( 3.617 -3.519 -2.071) 5.455 5.970 ( 3.617 3.519 -2.071) 5.455 6.040 ( 0.120 -2.660 3.733) 4.585 6.040 ( 0.120 2.660 3.733) 4.585 6.111 ( -0.103 -5.926 -0.364) 5.938 6.111 ( -0.103 5.926 -0.364) 5.938 6.168 ( -2.225 -1.352 0.005) 2.604 6.168 ( -2.225 1.352 0.005) 2.604 6.274 ( -1.548 -1.217 1.103) 2.257 6.274 ( -1.548 1.217 1.103) 2.257 6.339 ( -1.623 -2.850 1.526) 3.617 6.339 ( -1.623 2.850 1.526) 3.617 6.591 ( 1.969 -0.774 -2.060) 2.953 6.591 ( 1.969 0.774 -2.060) 2.953 6.650 ( -0.103 -4.794 -2.734) 5.520 6.650 ( -0.103 4.794 -2.734) 5.520 6.798 ( 0.553 -1.511 -2.871) 3.291 6.798 ( 0.553 1.511 -2.871) 3.291 6.886 ( 2.486 -2.491 -0.990) 3.656 6.886 ( 2.486 2.491 -0.990) 3.656 6.927 ( 1.165 -1.437 -0.504) 1.917 6.927 ( 1.165 1.437 -0.504) 1.917 7.061 ( -2.052 -4.979 -2.078) 5.772 7.061 ( -2.052 4.979 -2.078) 5.772 7.912 ( -1.557 -0.108 -0.426) 1.618 7.912 ( -1.557 0.108 -0.426) 1.618 8.001 ( 3.592 -0.145 1.987) 4.107 8.001 ( 3.592 0.145 1.987) 4.107 8.796 ( -5.089 -0.675 3.260) 6.081 8.796 ( -5.089 0.675 3.260) 6.081 8.951 ( -3.687 -2.818 3.531) 5.831 8.951 ( -3.687 2.818 3.531) 5.831 9.431 ( -1.992 -3.763 4.405) 6.126 9.431 ( -1.992 3.763 4.405) 6.126 9.560 ( 7.182 -0.861 0.427) 7.246 9.560 ( 7.182 0.861 0.427) 7.246 9.896 ( -1.510 -0.096 0.788) 1.706 9.896 ( -1.510 0.096 0.788) 1.706 9.957 ( -0.164 -0.361 2.212) 2.247 9.957 ( -0.164 0.361 2.212) 2.247 10.405 ( 1.034 -1.587 1.868) 2.660 10.405 ( 1.034 1.587 1.868) 2.660 10.451 ( -1.392 -1.874 0.237) 2.347 10.451 ( -1.392 1.874 0.237) 2.347 10.818 ( -1.156 -0.719 3.293) 3.564 10.818 ( -1.156 0.719 3.293) 3.564 10.891 ( -0.278 -3.188 0.065) 3.200 10.891 ( -0.278 3.188 0.065) 3.200 11.102 ( 1.160 -2.739 1.485) 3.324 11.102 ( 1.160 2.739 1.485) 3.324 11.238 ( -0.776 -1.589 -1.267) 2.176 11.238 ( -0.776 1.589 -1.267) 2.176 11.495 ( -0.419 -2.511 -3.696) 4.488 11.495 ( -0.419 2.511 -3.696) 4.488 11.674 ( 4.379 -4.564 -8.426) 10.536 11.674 ( 4.379 4.564 -8.426) 10.536 ======================= Grid point 65 (34/45) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.224 ( 2.374 0.000 19.027) 19.174 1.329 ( -5.569 0.000 17.502) 18.366 1.388 ( 0.717 0.000 9.177) 9.205 1.463 ( 2.532 0.000 -4.887) 5.504 1.506 ( -6.465 0.000 -8.586) 10.747 1.585 ( -3.221 0.000 8.007) 8.631 1.666 ( -1.136 0.000 -6.826) 6.920 1.738 ( -2.539 0.000 -7.031) 7.475 1.762 ( -5.091 0.000 -1.678) 5.361 1.763 ( 4.863 0.000 -1.232) 5.017 1.822 ( 6.070 0.000 1.925) 6.368 1.839 ( -0.455 0.000 0.955) 1.058 1.853 ( 2.148 0.000 0.621) 2.236 1.926 ( -2.296 0.000 -5.324) 5.798 2.006 ( 0.747 0.000 6.201) 6.246 2.041 ( 4.628 0.000 1.175) 4.775 2.065 ( -4.097 0.000 -3.328) 5.278 2.121 ( -2.595 0.000 -1.569) 3.032 2.159 ( -3.255 0.000 -0.279) 3.267 2.201 ( 5.801 0.000 0.321) 5.810 2.243 ( 7.714 0.000 8.287) 11.322 2.325 ( 2.650 0.000 7.047) 7.529 2.375 ( -6.335 0.000 1.526) 6.516 2.402 ( -5.841 0.000 -8.923) 10.665 2.454 ( 0.068 0.000 10.903) 10.903 2.543 ( -1.728 0.000 0.883) 1.940 2.547 ( 1.501 0.000 4.798) 5.027 2.621 ( 4.872 0.000 0.010) 4.872 2.688 ( 2.242 0.000 -2.113) 3.081 2.712 ( -1.733 0.000 -4.750) 5.056 2.773 ( -2.034 0.000 1.571) 2.570 2.779 ( 0.190 0.000 0.594) 0.624 2.854 ( 3.540 0.000 4.211) 5.501 2.871 ( -3.588 0.000 -1.611) 3.933 2.893 ( 3.224 0.000 -2.589) 4.135 2.916 ( -0.145 0.000 -1.137) 1.147 2.946 ( -2.977 0.000 0.821) 3.088 2.980 ( 8.094 0.000 -0.913) 8.146 3.009 ( -0.405 0.000 -1.259) 1.322 3.021 ( 0.760 0.000 -5.681) 5.732 3.097 ( -2.194 0.000 2.018) 2.981 3.122 ( -1.605 0.000 -1.205) 2.007 3.157 ( -1.860 0.000 -1.332) 2.288 3.248 ( 2.336 0.000 2.577) 3.478 3.250 ( -4.551 0.000 -9.481) 10.516 3.353 ( 2.052 0.000 -5.517) 5.886 3.361 ( -3.120 0.000 5.405) 6.241 3.427 ( -3.477 0.000 3.735) 5.103 3.436 ( -0.335 0.000 -3.071) 3.090 3.483 ( -5.310 0.000 0.702) 5.357 3.503 ( 3.974 0.000 -4.258) 5.824 3.535 ( 5.692 0.000 -4.066) 6.995 3.634 ( -2.492 0.000 1.466) 2.891 3.663 ( 2.462 0.000 -0.294) 2.480 3.693 ( 0.535 0.000 3.262) 3.305 3.703 ( -0.011 0.000 2.354) 2.354 3.763 ( -2.739 0.000 -0.484) 2.781 3.802 ( 0.160 0.000 1.930) 1.936 3.816 ( 0.221 0.000 -8.195) 8.198 3.860 ( 1.313 0.000 -3.426) 3.669 3.893 ( -0.010 0.000 2.477) 2.477 3.921 ( -1.306 0.000 -0.539) 1.412 3.934 ( 1.358 0.000 8.231) 8.342 3.940 ( 0.829 0.000 1.460) 1.679 3.969 ( -0.392 0.000 0.526) 0.655 4.070 ( -0.128 0.000 5.857) 5.858 4.101 ( -0.052 0.000 -7.282) 7.282 4.119 ( 5.331 0.000 -0.999) 5.424 4.181 ( -1.999 0.000 0.054) 2.000 4.215 ( 0.011 0.000 -3.922) 3.922 4.299 ( 3.265 0.000 7.486) 8.167 4.345 ( 2.928 0.000 4.824) 5.643 4.380 ( -2.448 0.000 -2.973) 3.851 4.424 ( -0.503 0.000 -1.135) 1.241 4.427 ( -1.922 0.000 7.700) 7.936 4.470 ( -0.060 0.000 2.885) 2.886 4.485 ( -1.769 0.000 -2.018) 2.684 4.566 ( 0.830 0.000 7.272) 7.320 4.576 ( 1.920 0.000 -5.450) 5.779 4.581 ( -2.492 0.000 1.001) 2.686 4.614 ( -0.374 0.000 -2.006) 2.041 4.689 ( 0.976 0.000 1.112) 1.479 4.717 ( 5.568 0.000 -5.040) 7.511 4.730 ( -0.497 0.000 -1.203) 1.301 4.757 ( -0.990 0.000 3.929) 4.051 4.811 ( 1.933 0.000 1.081) 2.215 4.862 ( -2.381 0.000 0.992) 2.579 4.865 ( -4.661 0.000 -0.285) 4.670 4.917 ( 2.656 0.000 3.293) 4.230 4.929 ( -3.668 0.000 -3.849) 5.317 5.024 ( 4.576 0.000 -3.266) 5.622 5.031 ( -0.414 0.000 -0.589) 0.720 5.101 ( -3.017 0.000 -2.030) 3.636 5.133 ( -6.563 0.000 -7.403) 9.894 5.269 ( 1.044 0.000 3.988) 4.122 5.274 ( -0.832 0.000 1.832) 2.012 5.320 ( 1.534 0.000 -2.274) 2.743 5.345 ( 4.917 0.000 4.652) 6.768 5.387 ( 2.340 0.000 0.881) 2.500 5.398 ( -5.128 0.000 -4.926) 7.111 5.469 ( 0.811 0.000 2.635) 2.757 5.495 ( -4.167 0.000 -2.332) 4.776 5.534 ( -3.991 0.000 3.607) 5.379 5.569 ( 1.763 0.000 1.504) 2.317 5.621 ( -1.621 0.000 -2.913) 3.334 5.625 ( -2.519 0.000 -3.615) 4.406 5.664 ( 3.551 0.000 2.205) 4.180 5.680 ( 5.499 0.000 -0.296) 5.507 5.756 ( -0.538 0.000 -2.795) 2.846 5.771 ( 1.400 0.000 -2.021) 2.459 5.796 ( 0.750 0.000 -4.249) 4.315 5.808 ( 0.728 0.000 -2.226) 2.342 5.896 ( 2.405 0.000 0.816) 2.540 5.947 ( -0.620 0.000 -2.968) 3.032 6.089 ( 1.236 0.000 1.014) 1.599 6.108 ( -1.548 0.000 0.129) 1.554 6.123 ( 4.135 0.000 2.861) 5.028 6.143 ( -3.372 0.000 -0.213) 3.378 6.205 ( 0.476 0.000 1.683) 1.749 6.243 ( 3.876 0.000 -0.227) 3.883 6.280 ( -0.085 0.000 4.342) 4.343 6.298 ( -2.205 0.000 1.468) 2.649 6.319 ( -2.229 0.000 1.365) 2.613 6.362 ( -0.062 0.000 -1.688) 1.689 6.463 ( 0.213 0.000 3.450) 3.457 6.564 ( -0.162 0.000 -2.839) 2.843 6.638 ( 1.914 0.000 -1.555) 2.466 6.644 ( -0.816 0.000 -4.341) 4.417 6.709 ( -1.840 0.000 0.558) 1.922 6.716 ( 1.002 0.000 0.134) 1.011 6.830 ( 0.295 0.000 -0.351) 0.459 6.850 ( -1.008 0.000 -1.822) 2.082 6.927 ( -1.786 0.000 1.380) 2.257 6.967 ( -0.668 0.000 -2.797) 2.876 7.011 ( 1.419 0.000 1.367) 1.970 7.060 ( 1.599 0.000 -3.561) 3.903 7.878 ( -0.798 0.000 0.681) 1.049 7.891 ( -0.252 0.000 -0.369) 0.447 8.078 ( 0.897 0.000 0.942) 1.301 8.084 ( -1.146 0.000 0.332) 1.193 8.757 ( -0.940 0.000 2.238) 2.427 8.804 ( 2.525 0.000 -2.724) 3.714 8.939 ( 0.559 0.000 3.271) 3.319 8.974 ( -2.398 0.000 -0.171) 2.404 9.527 ( 0.250 0.000 4.084) 4.092 9.578 ( -2.552 0.000 -1.526) 2.973 9.634 ( -2.573 0.000 0.776) 2.688 9.656 ( 5.094 0.000 -1.633) 5.349 9.892 ( -0.572 0.000 0.318) 0.654 9.892 ( 0.130 0.000 0.263) 0.293 9.998 ( -0.128 0.000 1.983) 1.987 10.018 ( 0.368 0.000 0.053) 0.372 10.348 ( -0.217 0.000 0.115) 0.246 10.362 ( -1.957 0.000 -1.634) 2.549 10.529 ( 0.601 0.000 5.263) 5.298 10.628 ( -0.153 0.000 -4.875) 4.878 10.887 ( 0.357 0.000 2.263) 2.291 10.923 ( -1.111 0.000 -1.382) 1.774 10.947 ( 1.471 0.000 0.353) 1.512 10.958 ( -0.954 0.000 -0.909) 1.318 11.091 ( 0.743 0.000 0.770) 1.070 11.110 ( 0.764 0.000 -1.345) 1.547 11.178 ( 4.033 0.000 1.802) 4.418 11.196 ( -3.825 0.000 0.335) 3.840 11.311 ( -0.958 0.000 6.493) 6.563 11.436 ( 1.314 0.000 -6.449) 6.582 11.466 ( -0.500 0.000 4.308) 4.337 11.589 ( 0.799 0.000 -7.894) 7.935 ======================= Grid point 66 (35/45) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -5.540 0.000 9.048) 10.609 1.304 ( -1.210 0.000 9.566) 9.642 1.364 ( -2.888 0.000 16.654) 16.903 1.455 ( -2.761 0.000 -6.016) 6.619 1.464 ( -3.180 0.000 11.685) 12.110 1.561 ( 1.253 0.000 3.701) 3.907 1.614 ( 0.019 0.000 5.003) 5.003 1.637 ( 0.555 0.000 -5.569) 5.597 1.747 ( 0.223 0.000 -7.174) 7.178 1.814 ( -3.527 0.000 -7.325) 8.130 1.830 ( -2.253 0.000 -2.992) 3.745 1.879 ( 0.216 0.000 2.655) 2.664 1.901 ( 2.014 0.000 -2.734) 3.396 1.937 ( 4.542 0.000 1.825) 4.895 2.000 ( -1.509 0.000 5.617) 5.816 2.021 ( 1.779 0.000 -1.431) 2.283 2.076 ( 0.596 0.000 -2.543) 2.612 2.093 ( -3.687 0.000 -0.802) 3.773 2.148 ( 3.198 0.000 2.472) 4.041 2.275 ( 0.999 0.000 -1.045) 1.446 2.284 ( -1.555 0.000 1.218) 1.975 2.288 ( -1.290 0.000 -7.225) 7.340 2.392 ( 4.289 0.000 4.603) 6.292 2.403 ( 0.165 0.000 4.153) 4.157 2.479 ( 0.930 0.000 1.809) 2.034 2.496 ( 0.850 0.000 3.007) 3.125 2.580 ( -0.688 0.000 3.205) 3.278 2.645 ( -4.134 0.000 -2.058) 4.618 2.650 ( -5.788 0.000 -0.889) 5.855 2.687 ( -2.243 0.000 0.985) 2.450 2.744 ( 0.636 0.000 -5.979) 6.012 2.760 ( -0.833 0.000 2.693) 2.818 2.816 ( 0.794 0.000 1.410) 1.618 2.859 ( -1.351 0.000 -2.972) 3.265 2.862 ( -1.719 0.000 -4.064) 4.413 2.910 ( -1.556 0.000 -2.195) 2.691 2.981 ( -0.382 0.000 -2.807) 2.833 2.997 ( -1.463 0.000 1.561) 2.140 3.005 ( 4.724 0.000 0.333) 4.735 3.064 ( 2.551 0.000 -0.632) 2.628 3.087 ( -2.048 0.000 1.001) 2.280 3.169 ( 1.643 0.000 0.519) 1.723 3.178 ( -0.763 0.000 -3.894) 3.968 3.193 ( 6.396 0.000 5.090) 8.174 3.250 ( -3.963 0.000 0.213) 3.969 3.323 ( -0.189 0.000 5.469) 5.472 3.373 ( 1.541 0.000 -6.203) 6.391 3.426 ( 3.564 0.000 2.931) 4.615 3.431 ( -0.343 0.000 -2.688) 2.709 3.443 ( 0.648 0.000 4.623) 4.669 3.580 ( -3.510 0.000 1.847) 3.966 3.595 ( 3.498 0.000 -3.939) 5.269 3.623 ( 7.493 0.000 -1.168) 7.584 3.680 ( -3.037 0.000 0.524) 3.082 3.693 ( -1.136 0.000 3.566) 3.743 3.716 ( 1.824 0.000 -2.431) 3.039 3.763 ( 1.952 0.000 0.080) 1.954 3.774 ( -1.414 0.000 -4.850) 5.052 3.825 ( 1.062 0.000 4.524) 4.647 3.891 ( -1.017 0.000 1.408) 1.737 3.895 ( 3.384 0.000 -2.634) 4.288 3.924 ( -2.528 0.000 0.239) 2.539 3.932 ( 1.871 0.000 3.397) 3.878 3.956 ( 0.331 0.000 -0.367) 0.494 4.012 ( -2.608 0.000 1.692) 3.109 4.030 ( 2.322 0.000 -0.961) 2.513 4.088 ( 0.804 0.000 -7.261) 7.305 4.139 ( -3.110 0.000 2.537) 4.013 4.171 ( -0.351 0.000 -6.571) 6.581 4.204 ( 0.964 0.000 -3.539) 3.667 4.318 ( -1.254 0.000 -4.747) 4.910 4.349 ( -0.716 0.000 6.029) 6.072 4.367 ( -2.947 0.000 4.035) 4.996 4.391 ( -1.802 0.000 -2.416) 3.014 4.408 ( -0.868 0.000 5.167) 5.239 4.453 ( -1.492 0.000 1.836) 2.366 4.454 ( -0.815 0.000 0.502) 0.957 4.548 ( -1.032 0.000 3.712) 3.853 4.576 ( -0.639 0.000 -5.951) 5.985 4.597 ( -1.127 0.000 -1.097) 1.573 4.618 ( -0.708 0.000 4.288) 4.346 4.681 ( 1.258 0.000 4.534) 4.705 4.703 ( -0.431 0.000 -3.782) 3.806 4.769 ( -4.883 0.000 3.896) 6.247 4.804 ( -0.785 0.000 1.380) 1.588 4.813 ( -2.655 0.000 7.911) 8.345 4.824 ( 6.808 0.000 -12.247) 14.012 4.862 ( 1.581 0.000 -3.562) 3.898 4.915 ( 2.222 0.000 1.214) 2.532 4.951 ( -0.721 0.000 -1.064) 1.285 4.957 ( 1.879 0.000 2.595) 3.204 5.022 ( -4.175 0.000 -0.705) 4.235 5.099 ( 0.731 0.000 0.576) 0.931 5.132 ( 5.826 0.000 3.267) 6.679 5.247 ( -2.616 0.000 2.683) 3.747 5.253 ( -0.158 0.000 -0.579) 0.600 5.323 ( -4.006 0.000 -1.690) 4.348 5.332 ( -2.405 0.000 -4.846) 5.410 5.377 ( -3.803 0.000 -3.923) 5.464 5.388 ( 1.129 0.000 2.446) 2.693 5.427 ( 2.886 0.000 1.402) 3.208 5.535 ( 4.211 0.000 1.740) 4.557 5.548 ( 0.334 0.000 -0.592) 0.680 5.557 ( -3.940 0.000 1.992) 4.415 5.603 ( 0.392 0.000 0.506) 0.640 5.620 ( 5.443 0.000 0.769) 5.497 5.705 ( -0.002 0.000 -2.610) 2.610 5.736 ( 1.295 0.000 0.517) 1.395 5.770 ( -0.127 0.000 -0.858) 0.867 5.798 ( -0.829 0.000 -1.169) 1.433 5.799 ( 0.598 0.000 -3.019) 3.077 5.821 ( 4.668 0.000 -3.472) 5.818 5.930 ( -0.114 0.000 -5.103) 5.104 5.962 ( 2.614 0.000 0.299) 2.631 6.056 ( -3.247 0.000 0.474) 3.282 6.095 ( -0.639 0.000 1.569) 1.694 6.116 ( 1.459 0.000 -2.753) 3.115 6.181 ( 1.478 0.000 0.193) 1.491 6.212 ( -2.798 0.000 0.309) 2.815 6.235 ( -1.308 0.000 -3.771) 3.991 6.262 ( -0.021 0.000 1.667) 1.667 6.283 ( -0.827 0.000 4.710) 4.782 6.379 ( 4.409 0.000 3.140) 5.413 6.403 ( 4.009 0.000 0.160) 4.012 6.468 ( -1.061 0.000 4.201) 4.333 6.538 ( -1.355 0.000 -2.738) 3.055 6.633 ( 1.417 0.000 -5.069) 5.263 6.641 ( -1.014 0.000 -1.854) 2.113 6.712 ( -1.732 0.000 2.112) 2.732 6.713 ( 2.209 0.000 -0.631) 2.297 6.789 ( -3.895 0.000 1.077) 4.041 6.834 ( 0.291 0.000 -1.797) 1.820 6.894 ( -1.454 0.000 -0.614) 1.579 6.896 ( -3.887 0.000 -0.506) 3.919 7.055 ( 1.703 0.000 1.933) 2.576 7.121 ( 3.994 0.000 -4.832) 6.269 7.884 ( 1.170 0.000 1.950) 2.274 7.901 ( 1.335 0.000 0.225) 1.354 8.030 ( -3.767 0.000 0.538) 3.805 8.056 ( -3.035 0.000 0.469) 3.071 8.815 ( 5.345 0.000 1.738) 5.621 8.913 ( 8.320 0.000 -3.894) 9.186 8.949 ( 0.047 0.000 -0.230) 0.235 8.968 ( 0.885 0.000 4.532) 4.618 9.487 ( -6.308 0.000 1.758) 6.548 9.501 ( -4.279 0.000 2.443) 4.927 9.567 ( -2.915 0.000 1.564) 3.308 9.701 ( 0.474 0.000 -4.393) 4.418 9.905 ( 1.545 0.000 0.430) 1.604 9.911 ( 1.317 0.000 0.662) 1.474 9.997 ( -0.597 0.000 1.556) 1.666 10.019 ( -0.272 0.000 -0.881) 0.922 10.360 ( 2.191 0.000 1.443) 2.624 10.371 ( 2.025 0.000 2.040) 2.874 10.534 ( -1.893 0.000 4.059) 4.479 10.585 ( -2.533 0.000 -4.930) 5.542 10.887 ( -1.695 0.000 -0.018) 1.696 10.903 ( 0.639 0.000 1.611) 1.733 10.963 ( 1.483 0.000 -1.981) 2.475 10.970 ( -0.247 0.000 1.249) 1.274 11.047 ( -3.969 0.000 -1.739) 4.333 11.080 ( -2.178 0.000 -1.482) 2.635 11.167 ( 0.843 0.000 1.689) 1.888 11.243 ( 0.927 0.000 0.407) 1.012 11.333 ( 0.917 0.000 6.562) 6.626 11.458 ( -1.671 0.000 3.970) 4.307 11.463 ( 3.622 0.000 -6.887) 7.781 11.563 ( -1.146 0.000 -7.302) 7.391 ======================= Grid point 67 (36/45) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -6.851 0.000 9.836) 11.987 1.236 ( 0.131 0.000 13.259) 13.260 1.349 ( -1.721 0.000 7.229) 7.431 1.485 ( 0.606 0.000 6.554) 6.582 1.485 ( 6.673 0.000 7.074) 9.725 1.581 ( -4.463 0.000 1.246) 4.633 1.606 ( 0.787 0.000 -4.560) 4.628 1.692 ( 4.544 0.000 1.530) 4.795 1.713 ( -0.299 0.000 -4.308) 4.318 1.752 ( -0.884 0.000 -5.176) 5.251 1.776 ( 2.455 0.000 -3.399) 4.193 1.841 ( -5.963 0.000 -4.690) 7.586 1.925 ( -1.099 0.000 4.623) 4.752 1.948 ( -1.573 0.000 1.907) 2.471 2.002 ( 1.282 0.000 0.669) 1.446 2.030 ( 3.512 0.000 -3.056) 4.655 2.131 ( 2.260 0.000 4.481) 5.019 2.149 ( 4.544 0.000 3.530) 5.754 2.168 ( -2.167 0.000 3.206) 3.869 2.206 ( -6.449 0.000 -1.968) 6.743 2.289 ( -1.510 0.000 -5.967) 6.156 2.292 ( 3.465 0.000 -3.836) 5.170 2.404 ( -2.762 0.000 1.162) 2.997 2.410 ( 0.427 0.000 0.894) 0.991 2.489 ( -2.747 0.000 4.575) 5.336 2.517 ( -0.097 0.000 0.317) 0.332 2.525 ( -0.696 0.000 -1.263) 1.442 2.578 ( 0.270 0.000 -2.578) 2.592 2.630 ( 2.771 0.000 3.244) 4.266 2.674 ( 0.499 0.000 -0.067) 0.503 2.738 ( 0.513 0.000 -0.354) 0.623 2.752 ( -0.927 0.000 -0.377) 1.000 2.809 ( -2.291 0.000 -0.460) 2.337 2.825 ( -1.133 0.000 -3.360) 3.546 2.882 ( 3.570 0.000 1.755) 3.978 2.886 ( 0.004 0.000 -0.870) 0.870 2.948 ( -0.924 0.000 -3.407) 3.530 2.952 ( -5.216 0.000 -1.536) 5.438 3.045 ( -1.875 0.000 2.775) 3.349 3.078 ( -1.397 0.000 2.313) 2.702 3.132 ( 0.356 0.000 -3.323) 3.342 3.134 ( 8.067 0.000 -2.418) 8.421 3.181 ( 0.774 0.000 1.426) 1.622 3.230 ( -0.820 0.000 -2.354) 2.493 3.264 ( -0.056 0.000 2.857) 2.858 3.341 ( -2.079 0.000 -4.303) 4.779 3.376 ( 2.513 0.000 7.093) 7.525 3.451 ( 2.715 0.000 -2.092) 3.427 3.474 ( -0.888 0.000 3.768) 3.872 3.533 ( 4.896 0.000 3.344) 5.928 3.564 ( -6.466 0.000 -3.390) 7.300 3.599 ( 4.477 0.000 12.407) 13.190 3.609 ( -1.612 0.000 -5.398) 5.634 3.691 ( -1.077 0.000 4.183) 4.320 3.708 ( -0.010 0.000 -0.584) 0.584 3.747 ( 3.308 0.000 -1.110) 3.489 3.769 ( -0.072 0.000 0.741) 0.744 3.809 ( -2.553 0.000 2.927) 3.884 3.815 ( 5.371 0.000 1.432) 5.558 3.882 ( -6.020 0.000 0.504) 6.041 3.886 ( -0.650 0.000 2.325) 2.414 3.940 ( 2.551 0.000 -2.898) 3.861 3.950 ( 0.481 0.000 -5.573) 5.594 3.956 ( -0.120 0.000 -3.622) 3.624 3.996 ( 0.740 0.000 1.244) 1.447 4.033 ( -5.306 0.000 -7.449) 9.146 4.035 ( -1.575 0.000 4.915) 5.161 4.104 ( -1.476 0.000 -0.908) 1.733 4.158 ( 1.332 0.000 -7.122) 7.246 4.165 ( 0.401 0.000 -8.058) 8.068 4.278 ( -4.632 0.000 4.875) 6.725 4.337 ( 2.840 0.000 -1.611) 3.265 4.350 ( -2.860 0.000 3.740) 4.708 4.380 ( -1.348 0.000 4.538) 4.734 4.398 ( 2.965 0.000 -1.965) 3.557 4.460 ( 1.784 0.000 -2.093) 2.751 4.476 ( 2.175 0.000 0.891) 2.350 4.527 ( -1.341 0.000 -5.551) 5.711 4.533 ( -3.902 0.000 6.682) 7.738 4.597 ( 1.487 0.000 -2.179) 2.638 4.599 ( 0.339 0.000 5.889) 5.899 4.670 ( -3.199 0.000 7.415) 8.076 4.705 ( 1.343 0.000 -3.418) 3.672 4.709 ( -2.107 0.000 4.255) 4.747 4.790 ( -1.126 0.000 -1.638) 1.988 4.842 ( 3.248 0.000 5.958) 6.786 4.871 ( 1.046 0.000 -2.539) 2.746 4.888 ( 2.315 0.000 -4.326) 4.906 4.958 ( 2.626 0.000 -5.956) 6.509 4.958 ( -2.315 0.000 0.320) 2.337 4.982 ( -0.185 0.000 -2.060) 2.068 5.007 ( 3.027 0.000 -0.070) 3.028 5.150 ( 4.016 0.000 2.280) 4.617 5.167 ( -2.242 0.000 -1.619) 2.766 5.207 ( -0.826 0.000 1.467) 1.684 5.252 ( -1.968 0.000 1.443) 2.441 5.274 ( -1.246 0.000 -0.574) 1.372 5.295 ( 1.895 0.000 -0.710) 2.024 5.373 ( 4.360 0.000 -1.449) 4.595 5.419 ( 1.636 0.000 -0.032) 1.636 5.461 ( -5.811 0.000 1.030) 5.901 5.488 ( 3.063 0.000 -0.488) 3.102 5.563 ( 3.328 0.000 -3.440) 4.786 5.566 ( -2.973 0.000 -4.415) 5.323 5.632 ( 3.938 0.000 2.736) 4.795 5.682 ( -2.828 0.000 -3.236) 4.298 5.715 ( -1.226 0.000 1.150) 1.681 5.740 ( 0.802 0.000 4.049) 4.127 5.756 ( -2.081 0.000 1.073) 2.341 5.775 ( -0.234 0.000 2.491) 2.502 5.821 ( 2.700 0.000 -1.896) 3.300 5.849 ( 0.367 0.000 -4.430) 4.446 5.914 ( -0.136 0.000 -0.464) 0.484 5.915 ( -5.612 0.000 -1.520) 5.814 6.069 ( 2.875 0.000 2.887) 4.074 6.097 ( -1.303 0.000 -0.503) 1.397 6.122 ( -2.644 0.000 -0.853) 2.779 6.136 ( 0.900 0.000 -2.537) 2.692 6.183 ( -2.182 0.000 0.651) 2.277 6.227 ( -0.979 0.000 0.576) 1.136 6.277 ( 0.844 0.000 1.848) 2.032 6.280 ( 1.112 0.000 -0.971) 1.476 6.437 ( -1.260 0.000 4.753) 4.917 6.453 ( -0.232 0.000 3.269) 3.278 6.479 ( 1.720 0.000 0.327) 1.751 6.502 ( -0.326 0.000 -1.508) 1.542 6.602 ( -2.248 0.000 -0.805) 2.387 6.664 ( 2.209 0.000 -6.150) 6.535 6.691 ( -0.080 0.000 2.034) 2.035 6.740 ( 1.699 0.000 -3.223) 3.644 6.788 ( 2.632 0.000 0.168) 2.637 6.811 ( -0.813 0.000 -2.910) 3.021 6.870 ( 0.710 0.000 -0.298) 0.770 6.873 ( -0.104 0.000 -0.824) 0.830 7.070 ( -1.056 0.000 3.372) 3.533 7.150 ( 0.440 0.000 -5.106) 5.125 7.923 ( 0.964 0.000 1.163) 1.510 7.932 ( 1.116 0.000 0.081) 1.119 7.984 ( 0.173 0.000 1.394) 1.405 8.000 ( -1.753 0.000 -0.081) 1.755 8.905 ( 2.759 0.000 1.840) 3.316 8.918 ( -2.701 0.000 0.826) 2.824 8.956 ( -4.690 0.000 4.676) 6.623 9.054 ( 4.634 0.000 -5.665) 7.318 9.413 ( -0.279 0.000 3.290) 3.302 9.440 ( -0.650 0.000 0.530) 0.839 9.568 ( 1.723 0.000 4.249) 4.585 9.665 ( -1.908 0.000 -6.021) 6.316 9.926 ( -0.271 0.000 0.674) 0.727 9.931 ( 0.667 0.000 0.111) 0.676 9.990 ( -0.341 0.000 1.336) 1.379 10.007 ( -0.468 0.000 -0.592) 0.754 10.419 ( 1.558 0.000 3.060) 3.434 10.451 ( 5.591 0.000 1.186) 5.716 10.483 ( -3.619 0.000 1.535) 3.931 10.520 ( -1.937 0.000 -3.349) 3.869 10.874 ( 0.266 0.000 1.402) 1.427 10.903 ( -1.318 0.000 -1.675) 2.131 10.936 ( -1.553 0.000 3.168) 3.528 10.991 ( 1.911 0.000 -2.449) 3.106 11.022 ( 0.759 0.000 0.315) 0.821 11.038 ( -1.735 0.000 -1.423) 2.244 11.206 ( 2.165 0.000 2.185) 3.076 11.218 ( -2.943 0.000 0.619) 3.008 11.360 ( -0.959 0.000 7.440) 7.502 11.439 ( -0.688 0.000 2.443) 2.538 11.502 ( -0.497 0.000 -7.227) 7.244 11.530 ( 2.898 0.000 -6.626) 7.232 ======================= Grid point 68 (37/45) ======================= q-point: (-0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -2.744 0.000 16.196) 16.427 1.303 ( 1.923 0.000 14.885) 15.009 1.365 ( -0.690 0.000 9.083) 9.109 1.450 ( -0.794 0.000 -5.505) 5.562 1.572 ( 1.782 0.000 4.677) 5.005 1.650 ( 4.772 0.000 -0.283) 4.780 1.666 ( 4.476 0.000 -7.149) 8.434 1.674 ( -1.897 0.000 -4.729) 5.095 1.710 ( 0.418 0.000 3.960) 3.982 1.750 ( -0.766 0.000 -4.779) 4.840 1.794 ( 6.404 0.000 -6.490) 9.117 1.852 ( -1.371 0.000 4.974) 5.159 1.890 ( -4.301 0.000 -0.439) 4.324 1.906 ( 2.846 0.000 4.354) 5.202 2.035 ( -1.047 0.000 -1.399) 1.748 2.070 ( -4.717 0.000 -0.229) 4.722 2.086 ( 2.437 0.000 -2.171) 3.264 2.139 ( -3.679 0.000 -4.322) 5.676 2.146 ( -0.773 0.000 2.327) 2.452 2.151 ( -2.649 0.000 6.237) 6.776 2.214 ( -0.560 0.000 4.302) 4.338 2.312 ( -2.524 0.000 -0.048) 2.525 2.422 ( 1.351 0.000 4.324) 4.530 2.431 ( 5.567 0.000 -0.820) 5.627 2.452 ( -3.088 0.000 5.000) 5.877 2.521 ( -0.113 0.000 5.957) 5.958 2.538 ( -2.938 0.000 -4.562) 5.426 2.595 ( 3.636 0.000 -1.415) 3.901 2.687 ( -2.556 0.000 -0.744) 2.662 2.706 ( 3.547 0.000 -0.239) 3.555 2.748 ( 0.522 0.000 0.194) 0.557 2.752 ( 6.302 0.000 -2.078) 6.636 2.796 ( -0.286 0.000 -0.913) 0.957 2.821 ( 2.403 0.000 -1.006) 2.605 2.874 ( 0.703 0.000 -0.074) 0.707 2.900 ( 1.171 0.000 -0.748) 1.390 2.910 ( -0.281 0.000 -2.098) 2.116 2.969 ( 1.320 0.000 4.071) 4.280 3.020 ( -1.226 0.000 1.683) 2.082 3.046 ( -1.872 0.000 -0.551) 1.952 3.153 ( -0.218 0.000 -3.649) 3.656 3.166 ( -2.207 0.000 0.539) 2.272 3.180 ( -1.309 0.000 -4.327) 4.521 3.254 ( -2.485 0.000 4.808) 5.412 3.298 ( 4.149 0.000 -5.013) 6.507 3.339 ( 7.662 0.000 -3.033) 8.241 3.382 ( -1.488 0.000 2.716) 3.096 3.400 ( -5.327 0.000 -4.718) 7.116 3.471 ( -1.944 0.000 7.105) 7.366 3.521 ( -3.164 0.000 -3.972) 5.078 3.548 ( 0.358 0.000 -4.213) 4.228 3.599 ( -6.534 0.000 0.873) 6.592 3.648 ( 3.317 0.000 2.229) 3.996 3.650 ( -6.262 0.000 -0.675) 6.298 3.655 ( 0.455 0.000 4.989) 5.010 3.735 ( -1.977 0.000 -3.039) 3.625 3.791 ( 0.197 0.000 -2.984) 2.990 3.814 ( 1.272 0.000 -6.434) 6.559 3.834 ( -2.478 0.000 3.930) 4.646 3.848 ( -0.272 0.000 -3.032) 3.044 3.875 ( 0.871 0.000 6.977) 7.031 3.913 ( -1.506 0.000 1.393) 2.051 3.940 ( -0.794 0.000 -1.731) 1.905 3.965 ( 1.738 0.000 3.683) 4.072 3.979 ( -1.624 0.000 3.736) 4.074 4.014 ( 5.094 0.000 -2.834) 5.830 4.029 ( -3.337 0.000 4.251) 5.404 4.117 ( 5.456 0.000 5.199) 7.536 4.145 ( -1.152 0.000 -8.039) 8.121 4.190 ( 3.256 0.000 -3.556) 4.821 4.264 ( 1.463 0.000 2.425) 2.832 4.311 ( -2.589 0.000 4.391) 5.097 4.382 ( 2.043 0.000 -0.564) 2.119 4.402 ( 1.974 0.000 3.949) 4.414 4.433 ( 0.575 0.000 -1.501) 1.608 4.466 ( -2.443 0.000 8.202) 8.559 4.492 ( 1.900 0.000 -3.979) 4.409 4.534 ( 3.332 0.000 -5.265) 6.231 4.539 ( 1.026 0.000 5.370) 5.467 4.624 ( 2.312 0.000 -4.303) 4.884 4.628 ( 1.465 0.000 2.362) 2.779 4.643 ( -2.899 0.000 2.446) 3.794 4.684 ( -1.454 0.000 -1.255) 1.921 4.728 ( 0.714 0.000 0.336) 0.789 4.800 ( 3.238 0.000 1.330) 3.501 4.818 ( -3.220 0.000 -0.776) 3.312 4.847 ( -3.503 0.000 -0.462) 3.533 4.927 ( -2.211 0.000 3.252) 3.932 4.932 ( 0.668 0.000 -0.697) 0.966 4.980 ( 0.182 0.000 -3.100) 3.105 4.986 ( 1.735 0.000 -5.500) 5.767 5.017 ( -0.696 0.000 -1.973) 2.092 5.128 ( -0.172 0.000 -2.591) 2.597 5.186 ( 2.733 0.000 4.045) 4.881 5.258 ( -0.066 0.000 3.676) 3.676 5.274 ( 2.750 0.000 3.906) 4.777 5.284 ( 1.021 0.000 -7.987) 8.052 5.306 ( -0.185 0.000 -1.693) 1.703 5.365 ( -0.366 0.000 -7.358) 7.367 5.428 ( -1.264 0.000 4.639) 4.808 5.444 ( 2.389 0.000 -2.305) 3.320 5.530 ( 2.982 0.000 -4.042) 5.023 5.557 ( 2.819 0.000 -0.231) 2.828 5.571 ( -3.174 0.000 0.156) 3.178 5.634 ( -4.464 0.000 4.811) 6.563 5.639 ( 0.378 0.000 -3.430) 3.451 5.682 ( -5.526 0.000 2.207) 5.951 5.701 ( 0.108 0.000 -1.003) 1.009 5.754 ( 0.220 0.000 0.820) 0.849 5.790 ( -1.525 0.000 -4.830) 5.065 5.800 ( -2.540 0.000 5.131) 5.725 5.804 ( -1.414 0.000 -2.209) 2.623 5.865 ( 1.842 0.000 -3.176) 3.672 5.955 ( 1.627 0.000 1.029) 1.925 6.067 ( -0.385 0.000 -0.177) 0.424 6.077 ( -0.906 0.000 0.885) 1.266 6.122 ( 0.997 0.000 1.376) 1.699 6.161 ( 2.181 0.000 -0.667) 2.280 6.184 ( 1.171 0.000 1.577) 1.964 6.191 ( -1.473 0.000 3.764) 4.041 6.285 ( -1.356 0.000 0.489) 1.441 6.301 ( 1.071 0.000 1.086) 1.525 6.390 ( -3.970 0.000 1.227) 4.156 6.418 ( -4.388 0.000 -0.707) 4.444 6.453 ( -0.652 0.000 3.899) 3.953 6.551 ( 2.341 0.000 -1.565) 2.816 6.600 ( 2.097 0.000 -1.108) 2.372 6.670 ( 0.402 0.000 -5.576) 5.591 6.695 ( 0.161 0.000 0.896) 0.911 6.744 ( -1.174 0.000 -0.968) 1.522 6.820 ( 1.355 0.000 -2.094) 2.494 6.835 ( 2.584 0.000 -2.099) 3.330 6.903 ( 3.072 0.000 -0.992) 3.228 6.910 ( 4.326 0.000 -2.231) 4.867 7.037 ( -3.386 0.000 3.902) 5.167 7.110 ( -2.938 0.000 -4.124) 5.063 7.903 ( -1.745 0.000 -0.071) 1.746 7.913 ( -1.762 0.000 -0.853) 1.958 8.029 ( 3.282 0.000 0.700) 3.356 8.050 ( 4.027 0.000 1.140) 4.185 8.838 ( -7.568 0.000 3.448) 8.317 8.842 ( -4.664 0.000 -0.788) 4.730 8.930 ( -0.123 0.000 2.231) 2.234 9.035 ( -3.373 0.000 -2.119) 3.984 9.480 ( 3.118 0.000 2.484) 3.986 9.511 ( 7.923 0.000 0.172) 7.925 9.625 ( -0.573 0.000 -4.063) 4.103 9.627 ( 2.304 0.000 3.279) 4.007 9.907 ( -1.470 0.000 0.288) 1.498 9.919 ( -1.728 0.000 -0.209) 1.740 9.993 ( 0.032 0.000 1.736) 1.737 10.008 ( 0.515 0.000 0.402) 0.653 10.384 ( -3.321 0.000 -0.818) 3.420 10.424 ( -3.461 0.000 -3.541) 4.951 10.491 ( 1.728 0.000 4.791) 5.093 10.598 ( 5.075 0.000 -2.396) 5.612 10.881 ( -0.422 0.000 0.926) 1.018 10.910 ( 2.482 0.000 1.112) 2.720 10.932 ( -0.006 0.000 1.017) 1.017 10.994 ( -1.593 0.000 -0.773) 1.770 11.037 ( 3.314 0.000 -1.123) 3.499 11.054 ( 2.132 0.000 1.285) 2.490 11.170 ( -1.941 0.000 1.049) 2.207 11.236 ( -0.186 0.000 1.813) 1.822 11.334 ( -3.214 0.000 6.490) 7.243 11.453 ( 0.618 0.000 3.417) 3.472 11.454 ( -1.224 0.000 -6.303) 6.421 11.576 ( 3.067 0.000 -7.712) 8.300 ======================= Grid point 69 (38/45) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 1.549 4.343 16.527) 17.158 1.321 ( -3.094 -1.575 5.197) 6.250 1.342 ( 1.890 -1.586 6.239) 6.709 1.450 ( -3.755 -0.865 7.744) 8.650 1.533 ( -4.132 2.337 -5.928) 7.594 1.570 ( -0.824 -1.201 3.586) 3.871 1.609 ( -2.904 -5.418 4.337) 7.524 1.673 ( -2.499 -1.932 -2.493) 4.024 1.705 ( 0.171 -7.664 1.107) 7.745 1.756 ( -1.821 -2.624 -2.367) 3.975 1.762 ( 3.507 -3.942 -2.435) 5.811 1.805 ( 3.964 -0.858 -0.116) 4.057 1.860 ( 1.996 0.282 -1.818) 2.714 1.956 ( -0.279 -0.450 -2.819) 2.868 2.015 ( -2.943 1.563 2.604) 4.229 2.055 ( 2.867 1.918 -2.482) 4.249 2.079 ( 0.665 1.548 0.550) 1.773 2.108 ( -0.505 1.526 0.285) 1.632 2.192 ( 0.011 2.660 0.201) 2.668 2.225 ( 2.070 1.792 -2.940) 4.017 2.260 ( 0.655 -3.369 5.041) 6.098 2.307 ( 5.297 3.250 4.535) 7.693 2.370 ( -1.982 -1.037 -3.663) 4.292 2.382 ( -4.574 -2.623 -2.964) 6.048 2.493 ( -1.290 2.710 9.380) 9.848 2.560 ( 0.078 -0.393 2.637) 2.668 2.594 ( 1.294 -0.427 1.806) 2.262 2.619 ( 2.930 2.679 5.235) 6.570 2.623 ( -1.005 -1.559 -3.389) 3.864 2.720 ( 3.293 -2.700 1.468) 4.504 2.724 ( 0.565 -3.253 0.327) 3.318 2.773 ( -4.272 -1.653 -1.659) 4.872 2.794 ( 0.095 -5.335 -3.898) 6.608 2.817 ( -0.872 1.121 -1.166) 1.838 2.840 ( 1.036 -2.092 -2.549) 3.456 2.848 ( 1.034 -0.257 -3.050) 3.231 2.943 ( 0.034 0.631 -2.811) 2.881 2.981 ( 1.510 -2.530 -4.830) 5.658 3.027 ( -0.008 -0.218 -1.131) 1.152 3.037 ( -2.870 -0.019 -1.756) 3.365 3.176 ( -1.500 5.232 3.982) 6.744 3.205 ( 1.449 4.059 2.318) 4.894 3.221 ( -1.398 1.491 2.035) 2.884 3.293 ( 0.544 3.093 -2.579) 4.064 3.314 ( -1.558 6.387 0.077) 6.575 3.348 ( 0.916 0.258 0.931) 1.331 3.370 ( 0.978 1.687 1.233) 2.307 3.428 ( -3.980 2.337 3.302) 5.674 3.462 ( -2.315 2.406 -4.869) 5.904 3.502 ( 2.057 0.931 -1.590) 2.761 3.542 ( 2.124 1.627 -0.293) 2.692 3.575 ( 0.164 1.473 -1.782) 2.318 3.594 ( 0.264 -3.686 3.307) 4.960 3.632 ( -2.240 -0.642 0.899) 2.498 3.673 ( 1.214 -0.579 -1.461) 1.986 3.718 ( 1.434 -3.361 -5.346) 6.475 3.739 ( 0.703 0.622 2.824) 2.975 3.792 ( 1.777 0.571 3.618) 4.071 3.822 ( -0.207 -0.569 -4.158) 4.202 3.847 ( -3.277 -0.238 -0.298) 3.299 3.885 ( 2.186 -0.778 2.591) 3.478 3.913 ( -1.949 0.751 0.121) 2.092 3.942 ( 0.308 1.224 0.618) 1.406 3.974 ( 1.564 1.552 1.068) 2.449 4.036 ( -2.778 2.110 2.534) 4.312 4.062 ( 1.333 1.636 3.319) 3.933 4.085 ( 0.482 -0.786 -2.360) 2.534 4.116 ( -0.137 1.510 -3.146) 3.492 4.221 ( 1.039 1.134 2.447) 2.890 4.246 ( 2.986 -2.387 -0.140) 3.825 4.261 ( -1.263 1.379 -0.324) 1.898 4.301 ( 2.350 -2.132 1.708) 3.604 4.358 ( 0.391 -2.700 0.333) 2.748 4.380 ( -2.055 -0.745 0.293) 2.205 4.417 ( 1.489 -0.635 1.797) 2.419 4.427 ( -0.769 -2.484 0.497) 2.648 4.524 ( 0.851 -2.068 2.521) 3.370 4.532 ( -3.481 0.141 2.582) 4.336 4.539 ( -0.430 -3.229 0.125) 3.260 4.598 ( -0.146 -2.102 -2.260) 3.090 4.614 ( -2.106 -2.858 -2.880) 4.571 4.638 ( 4.508 0.689 -1.017) 4.672 4.687 ( -0.769 0.695 1.548) 1.863 4.731 ( 2.072 -0.036 -1.957) 2.850 4.790 ( -3.463 -2.172 7.101) 8.193 4.814 ( -0.028 1.191 -0.221) 1.212 4.835 ( 0.449 0.615 -1.232) 1.449 4.874 ( 2.185 1.484 1.065) 2.848 4.932 ( -1.352 0.651 -1.870) 2.397 4.967 ( -2.526 1.312 -3.750) 4.708 4.984 ( 0.921 -3.794 0.159) 3.908 5.021 ( 0.495 -2.263 -5.738) 6.188 5.116 ( 0.380 1.869 1.169) 2.237 5.149 ( -0.768 0.103 -1.454) 1.648 5.226 ( -0.419 -0.250 2.872) 2.914 5.280 ( -3.293 -0.293 -1.682) 3.710 5.289 ( 1.964 -1.093 0.380) 2.279 5.338 ( 5.100 -1.859 1.380) 5.601 5.353 ( -2.486 -0.956 -4.241) 5.008 5.391 ( -4.578 -0.977 -2.584) 5.347 5.444 ( 1.515 1.296 -0.027) 1.994 5.463 ( -0.782 0.336 -2.982) 3.101 5.584 ( 1.352 -0.642 3.501) 3.808 5.598 ( -2.177 1.965 1.388) 3.245 5.632 ( -1.662 -0.311 -2.196) 2.771 5.646 ( 1.687 1.715 0.764) 2.524 5.682 ( -4.073 1.365 2.148) 4.802 5.699 ( 1.855 -2.073 -0.111) 2.784 5.764 ( 4.089 3.390 -0.298) 5.320 5.805 ( -0.073 2.225 -3.682) 4.302 5.822 ( -0.792 2.843 0.291) 2.966 5.873 ( 3.825 0.830 -3.261) 5.094 5.916 ( 3.718 4.088 -0.125) 5.528 5.954 ( -2.939 2.605 -3.256) 5.101 6.095 ( 1.113 -0.729 0.816) 1.561 6.102 ( -1.568 0.659 2.476) 3.004 6.127 ( 3.369 -0.707 0.166) 3.447 6.153 ( -1.010 0.786 -0.878) 1.552 6.202 ( -0.943 -0.490 2.038) 2.299 6.223 ( 3.433 -1.304 -0.414) 3.696 6.263 ( 0.325 -0.884 4.619) 4.714 6.297 ( -2.932 -0.013 1.650) 3.365 6.310 ( 0.156 -0.779 1.808) 1.975 6.365 ( -1.119 -0.571 -2.028) 2.385 6.495 ( 0.380 2.906 1.329) 3.218 6.558 ( -0.613 -0.067 -2.836) 2.903 6.611 ( 0.067 -1.418 -0.861) 1.660 6.636 ( 0.365 -1.772 -3.877) 4.278 6.729 ( -2.170 1.367 1.012) 2.757 6.755 ( 1.244 1.888 -1.312) 2.614 6.840 ( -1.548 1.979 0.855) 2.654 6.868 ( 0.449 1.752 -1.825) 2.569 6.927 ( -1.886 0.302 0.923) 2.121 6.963 ( 2.936 -0.777 -2.326) 3.826 7.005 ( -0.270 -0.492 0.479) 0.738 7.036 ( 0.737 -2.133 -2.586) 3.432 7.881 ( -0.717 0.209 0.573) 0.941 7.890 ( -0.302 -0.129 -0.174) 0.371 8.077 ( 0.645 -0.072 0.931) 1.135 8.081 ( -0.758 -0.231 0.493) 0.933 8.759 ( -0.503 0.287 1.578) 1.681 8.792 ( 2.096 -0.995 -1.847) 2.965 8.943 ( 0.117 0.375 2.577) 2.607 8.967 ( -1.969 -0.588 0.245) 2.069 9.510 ( 0.004 -1.212 3.512) 3.716 9.540 ( -2.091 -2.716 0.231) 3.435 9.644 ( -1.567 0.551 0.404) 1.709 9.657 ( 3.908 -0.027 -1.121) 4.065 9.887 ( -0.354 -0.316 0.346) 0.587 9.888 ( -0.039 -0.309 0.166) 0.353 9.995 ( -0.126 -0.251 1.664) 1.688 10.007 ( 0.105 -0.835 0.449) 0.954 10.354 ( -0.234 0.573 0.142) 0.635 10.368 ( -1.702 0.351 -1.467) 2.274 10.523 ( 0.425 -0.402 3.965) 4.007 10.577 ( 0.655 -3.456 -1.305) 3.752 10.849 ( 0.180 -2.722 1.443) 3.086 10.873 ( -0.729 -3.380 -0.772) 3.543 10.944 ( 2.310 0.470 2.438) 3.391 10.988 ( -2.388 1.661 -1.909) 3.480 11.053 ( 2.138 -2.238 3.324) 4.542 11.096 ( -2.717 -0.371 -1.186) 2.988 11.221 ( 1.541 2.818 1.460) 3.528 11.263 ( 0.821 1.829 -2.600) 3.283 11.342 ( -1.213 3.554 3.314) 5.008 11.436 ( 0.814 0.033 -5.528) 5.588 11.503 ( -0.025 3.009 1.863) 3.539 11.590 ( 0.581 -0.259 -6.809) 6.839 ======================= Grid point 70 (39/45) ======================= q-point: ( 0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.422 2.236 6.659) 7.430 1.349 ( -3.211 3.817 8.933) 10.232 1.383 ( 1.363 0.498 14.060) 14.134 1.439 ( 2.927 -2.925 2.774) 4.982 1.465 ( -1.572 2.493 4.604) 5.467 1.543 ( -3.486 0.843 -1.006) 3.725 1.591 ( -1.655 -3.714 5.398) 6.758 1.646 ( 1.841 0.319 1.309) 2.282 1.685 ( -1.014 -4.318 2.173) 4.939 1.711 ( -0.906 -8.140 -2.326) 8.515 1.807 ( -2.284 -0.874 -7.691) 8.071 1.819 ( 1.344 -3.834 0.933) 4.168 1.881 ( -0.794 -5.807 0.538) 5.885 1.925 ( -1.529 -0.447 -4.920) 5.171 1.979 ( -1.014 -1.040 0.496) 1.535 2.007 ( -3.544 2.675 -0.265) 4.448 2.103 ( 0.029 1.412 -1.716) 2.223 2.117 ( 0.593 2.006 -1.406) 2.520 2.182 ( -2.175 0.263 -3.581) 4.198 2.238 ( 1.574 1.871 -1.159) 2.706 2.298 ( 0.450 -1.903 -1.292) 2.344 2.345 ( 3.523 2.142 0.023) 4.123 2.358 ( 1.044 -0.545 3.995) 4.165 2.410 ( 1.709 0.647 3.624) 4.059 2.454 ( -2.961 -2.406 -2.135) 4.373 2.536 ( -3.372 -3.533 0.824) 4.952 2.568 ( 1.066 1.533 -0.579) 1.955 2.594 ( -3.715 -0.569 4.511) 5.872 2.647 ( -1.216 1.756 0.741) 2.261 2.702 ( -4.107 -1.619 -4.009) 5.963 2.723 ( -1.847 -1.998 0.276) 2.735 2.745 ( -0.135 -1.127 1.112) 1.589 2.781 ( 2.211 -1.075 -0.466) 2.502 2.830 ( 2.394 1.619 -1.813) 3.412 2.845 ( 0.990 -2.119 -4.107) 4.726 2.894 ( 0.110 -2.484 -3.737) 4.489 2.920 ( 1.350 -1.102 -1.531) 2.320 2.982 ( 1.173 -0.341 0.778) 1.448 3.065 ( 3.370 0.962 2.791) 4.480 3.089 ( 3.796 0.768 1.296) 4.084 3.195 ( 1.867 -0.112 4.029) 4.441 3.224 ( 0.433 5.634 -1.161) 5.768 3.240 ( -1.985 8.535 -0.817) 8.800 3.247 ( 1.148 3.412 2.782) 4.549 3.300 ( -0.930 5.952 0.635) 6.058 3.353 ( -1.621 3.288 1.432) 3.936 3.394 ( 1.115 0.970 1.656) 2.220 3.410 ( -0.089 1.511 0.170) 1.523 3.431 ( 2.466 -1.047 0.265) 2.693 3.518 ( -1.263 4.011 1.162) 4.363 3.569 ( -1.741 -0.864 0.361) 1.977 3.581 ( 2.962 -2.066 0.096) 3.613 3.607 ( 0.817 -2.552 -0.582) 2.742 3.631 ( 1.555 -0.996 1.463) 2.356 3.692 ( 0.032 -1.314 -3.075) 3.344 3.726 ( 1.303 -1.116 -1.998) 2.633 3.747 ( 0.134 1.123 0.819) 1.397 3.781 ( -1.585 0.582 -1.657) 2.366 3.818 ( -0.427 -1.225 -1.310) 1.844 3.834 ( -1.735 -3.098 0.369) 3.570 3.885 ( 1.354 0.365 -0.008) 1.402 3.933 ( -4.211 0.072 1.769) 4.568 3.936 ( 1.772 -1.743 2.196) 3.317 3.980 ( 2.451 1.480 -1.143) 3.083 4.015 ( 0.990 -0.479 2.417) 2.655 4.078 ( 1.491 3.527 0.646) 3.883 4.089 ( -0.826 0.350 -1.024) 1.362 4.130 ( 0.638 2.259 -2.444) 3.389 4.211 ( -1.787 3.312 -5.003) 6.260 4.230 ( -2.048 -4.637 1.047) 5.176 4.251 ( 0.663 2.293 0.337) 2.411 4.309 ( -2.545 -2.959 -0.575) 3.946 4.350 ( -0.261 0.735 -0.939) 1.221 4.388 ( 0.751 -0.961 0.946) 1.544 4.413 ( -0.107 -1.579 0.052) 1.584 4.468 ( 0.219 -2.249 1.668) 2.809 4.482 ( -3.173 -2.214 3.712) 5.362 4.502 ( -0.586 0.177 -0.026) 0.612 4.547 ( -0.628 0.025 -1.666) 1.780 4.569 ( 2.510 -2.988 0.504) 3.935 4.606 ( 0.038 -3.486 0.635) 3.544 4.659 ( -2.604 2.539 -0.405) 3.660 4.704 ( 0.484 -2.251 -3.898) 4.527 4.726 ( -1.212 -0.404 2.110) 2.467 4.744 ( -1.593 -3.098 3.965) 5.278 4.831 ( -4.935 -0.053 1.747) 5.235 4.848 ( -2.650 -2.357 3.012) 4.653 4.868 ( 3.922 3.314 -5.394) 7.447 4.930 ( 1.269 -0.278 -0.723) 1.487 4.932 ( 1.658 -0.803 -1.304) 2.256 4.983 ( 3.225 2.114 0.648) 3.910 5.057 ( 0.545 -0.896 -3.477) 3.632 5.074 ( -1.469 -0.820 -1.524) 2.270 5.127 ( -0.891 1.587 1.727) 2.509 5.224 ( -0.870 -2.104 2.779) 3.592 5.245 ( -0.621 -1.271 0.308) 1.448 5.291 ( -2.421 1.166 -0.059) 2.688 5.343 ( -0.407 -1.692 -0.141) 1.746 5.364 ( 1.448 1.091 -2.650) 3.210 5.386 ( 0.812 2.038 -4.711) 5.197 5.448 ( 4.480 -4.261 1.675) 6.405 5.507 ( -1.115 2.446 2.813) 3.891 5.541 ( -1.698 -1.627 -3.782) 4.454 5.579 ( -2.035 1.528 2.556) 3.607 5.588 ( 0.876 -0.888 -0.144) 1.256 5.658 ( -0.812 1.775 0.007) 1.952 5.695 ( 3.256 -0.360 1.242) 3.503 5.723 ( 0.769 -1.876 1.065) 2.291 5.793 ( -1.592 2.377 1.301) 3.142 5.810 ( 1.731 3.661 -2.062) 4.545 5.875 ( 3.939 3.141 -2.886) 5.806 5.891 ( 0.659 4.273 -4.225) 6.045 5.934 ( 1.080 0.731 -3.621) 3.849 6.003 ( 3.596 3.800 2.130) 5.648 6.050 ( -3.970 0.202 -0.364) 3.991 6.071 ( -1.203 -2.175 -0.331) 2.507 6.127 ( -0.712 -0.799 -1.613) 1.936 6.186 ( -2.272 0.222 -2.568) 3.436 6.202 ( 0.759 1.388 2.165) 2.682 6.242 ( 0.664 -1.146 0.522) 1.424 6.280 ( 2.631 2.242 -0.011) 3.457 6.301 ( 0.499 1.014 4.689) 4.823 6.355 ( 3.639 -1.603 2.347) 4.618 6.388 ( 3.580 -1.606 -0.050) 3.924 6.486 ( -1.798 1.758 1.797) 3.091 6.523 ( -2.094 -0.706 -2.112) 3.057 6.590 ( -0.931 -2.595 -2.491) 3.716 6.631 ( -0.237 -2.050 -3.629) 4.175 6.703 ( -0.964 0.172 1.250) 1.588 6.751 ( -1.962 -2.076 0.398) 2.884 6.787 ( -1.458 4.466 0.409) 4.716 6.863 ( -1.510 1.932 -1.255) 2.755 6.912 ( 0.193 2.674 -0.809) 2.800 6.944 ( -1.777 2.611 -0.356) 3.178 7.032 ( 1.920 -2.152 1.013) 3.056 7.086 ( 3.216 -3.131 -3.680) 5.804 7.886 ( 1.104 0.225 1.666) 2.012 7.899 ( 1.250 -0.216 0.479) 1.356 8.033 ( -3.608 0.259 0.478) 3.649 8.051 ( -3.105 -0.422 0.421) 3.162 8.827 ( 6.053 1.138 0.841) 6.216 8.900 ( 8.846 -1.353 -3.573) 9.636 8.948 ( -0.612 0.090 1.098) 1.260 8.964 ( 0.764 -0.366 3.738) 3.832 9.468 ( -4.815 -1.028 2.416) 5.484 9.495 ( -3.015 -1.241 3.467) 4.760 9.571 ( -4.665 0.919 -0.164) 4.757 9.673 ( -1.351 -2.556 -3.530) 4.563 9.903 ( 1.597 -0.137 0.478) 1.672 9.907 ( 1.477 -0.275 0.549) 1.600 9.993 ( -0.576 -0.299 1.346) 1.495 10.005 ( -0.462 -0.973 0.044) 1.078 10.363 ( 1.478 0.379 1.101) 1.881 10.374 ( 1.749 0.156 1.912) 2.596 10.520 ( -1.816 -0.776 2.350) 3.070 10.559 ( -1.734 -2.151 -2.782) 3.921 10.859 ( 0.120 -2.195 0.744) 2.321 10.868 ( 0.541 -2.600 0.770) 2.765 10.941 ( -1.847 0.078 -1.684) 2.500 10.993 ( 1.491 0.080 2.071) 2.553 11.019 ( -3.371 0.231 -0.473) 3.411 11.106 ( 1.695 -1.066 2.429) 3.148 11.202 ( -1.945 3.685 -1.425) 4.404 11.272 ( -0.091 1.305 -2.243) 2.597 11.364 ( 1.612 2.853 4.531) 5.592 11.462 ( 3.571 -0.195 -5.582) 6.629 11.490 ( -1.808 2.568 1.846) 3.643 11.563 ( -1.267 -0.197 -6.137) 6.269 ======================= Grid point 71 (40/45) ======================= q-point: (-0.50 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -4.503 5.681 9.848) 12.228 1.291 ( 0.037 4.250 11.446) 12.210 1.399 ( -4.477 4.722 6.228) 9.007 1.468 ( 2.568 -1.781 1.937) 3.677 1.483 ( 0.828 -0.909 4.430) 4.598 1.558 ( 2.345 -1.184 2.906) 3.918 1.604 ( 1.648 -2.589 4.874) 5.760 1.660 ( -0.969 -2.308 -2.914) 3.842 1.690 ( 0.700 -2.506 -3.888) 4.679 1.713 ( -2.655 -1.056 -2.545) 3.826 1.746 ( 5.612 -1.838 2.725) 6.504 1.819 ( -4.879 -2.970 -1.100) 5.817 1.866 ( 2.585 -6.029 3.751) 7.556 1.891 ( -1.608 -4.785 -4.540) 6.789 1.951 ( 0.075 -2.353 -2.173) 3.204 1.998 ( 0.784 -5.411 -0.300) 5.476 2.076 ( 1.174 4.145 -0.624) 4.353 2.120 ( -2.812 -1.025 -3.573) 4.661 2.147 ( 0.437 -3.432 3.474) 4.903 2.263 ( -5.215 -4.345 -6.623) 9.483 2.273 ( -0.659 3.190 1.506) 3.589 2.316 ( 1.895 0.853 -1.438) 2.527 2.391 ( -1.690 2.735 1.221) 3.439 2.431 ( 1.714 3.979 1.856) 4.713 2.496 ( 3.737 0.262 -0.421) 3.770 2.513 ( 0.057 -1.645 1.254) 2.069 2.536 ( -3.030 -0.724 2.394) 3.928 2.588 ( 0.210 0.066 -1.799) 1.813 2.614 ( 1.359 -1.549 2.657) 3.362 2.663 ( 0.532 -1.059 2.148) 2.453 2.717 ( -0.207 -2.405 -2.431) 3.425 2.756 ( -3.297 -2.493 -5.864) 7.174 2.767 ( 0.239 -4.156 1.521) 4.432 2.807 ( -1.520 1.224 -3.289) 3.825 2.824 ( -0.305 1.217 0.287) 1.287 2.889 ( 1.348 3.034 -5.956) 6.819 2.980 ( 1.665 2.608 3.029) 4.330 3.024 ( 2.115 1.189 -0.575) 2.493 3.115 ( 0.304 3.498 3.906) 5.252 3.127 ( -0.884 3.083 1.042) 3.372 3.186 ( -1.015 7.083 0.457) 7.170 3.237 ( 0.863 7.061 -0.302) 7.120 3.249 ( 1.459 1.035 1.926) 2.628 3.287 ( 0.995 1.193 1.400) 2.091 3.293 ( 0.145 3.001 2.282) 3.773 3.326 ( -1.383 -0.693 -0.706) 1.700 3.388 ( -0.038 5.251 0.591) 5.285 3.421 ( 0.432 1.442 -1.939) 2.455 3.480 ( 0.427 -1.433 2.420) 2.845 3.514 ( 1.044 -0.020 3.915) 4.052 3.526 ( -3.810 -3.198 -0.986) 5.071 3.588 ( -0.953 -1.420 -2.028) 2.653 3.630 ( 0.853 0.482 3.099) 3.250 3.655 ( 1.181 -1.860 0.221) 2.214 3.707 ( -0.403 -4.200 3.182) 5.285 3.723 ( -0.476 -3.425 1.182) 3.655 3.750 ( -1.630 -2.507 -0.933) 3.133 3.771 ( 1.382 -1.752 -0.716) 2.344 3.805 ( 1.206 1.712 1.820) 2.775 3.840 ( -0.366 -1.362 2.005) 2.452 3.858 ( 2.588 0.329 -0.356) 2.633 3.934 ( -2.118 0.646 2.832) 3.595 3.961 ( 1.416 -1.068 1.774) 2.509 4.005 ( -0.057 3.111 -1.841) 3.616 4.030 ( 0.329 0.490 -1.263) 1.394 4.047 ( -2.011 -1.343 -3.935) 4.619 4.096 ( -1.818 5.232 -6.202) 8.316 4.116 ( -1.113 1.276 -0.621) 1.804 4.161 ( -1.366 1.603 0.388) 2.141 4.220 ( 0.703 2.550 -3.943) 4.748 4.247 ( 1.304 2.453 -1.210) 3.030 4.274 ( -1.234 -2.911 -1.369) 3.445 4.344 ( -0.777 -1.531 4.341) 4.668 4.401 ( -1.194 -3.446 0.609) 3.698 4.423 ( 2.175 -1.021 -0.154) 2.407 4.424 ( -0.322 1.058 0.804) 1.368 4.459 ( 0.340 -2.621 -0.511) 2.692 4.516 ( -0.549 0.852 -4.370) 4.486 4.552 ( 0.646 0.733 1.966) 2.195 4.583 ( -1.771 -2.110 2.261) 3.564 4.609 ( -1.705 1.157 0.064) 2.062 4.642 ( 2.393 -1.484 1.009) 2.991 4.680 ( -0.287 -1.855 2.039) 2.771 4.700 ( -1.703 -1.107 4.432) 4.876 4.746 ( 0.029 -3.344 -3.199) 4.628 4.767 ( 3.017 -3.712 1.892) 5.144 4.861 ( -0.122 -1.398 0.907) 1.670 4.912 ( 2.087 0.261 -2.460) 3.237 4.923 ( -1.591 -0.298 -2.460) 2.945 4.970 ( -0.202 -0.487 0.795) 0.954 5.008 ( 0.928 4.019 -5.232) 6.662 5.029 ( 0.222 1.339 -2.489) 2.835 5.115 ( 1.477 -3.085 1.296) 3.657 5.158 ( 3.523 -0.887 -0.672) 3.694 5.207 ( -1.904 -0.542 2.773) 3.407 5.225 ( -1.615 -2.426 1.190) 3.148 5.268 ( -0.447 0.526 -0.587) 0.906 5.304 ( 2.396 0.590 0.114) 2.470 5.386 ( 1.159 -0.568 -0.497) 1.383 5.427 ( -0.416 -1.264 -3.820) 4.045 5.460 ( -2.666 0.884 -0.674) 2.888 5.486 ( 1.557 -0.988 -3.162) 3.661 5.540 ( 3.119 -1.790 0.759) 3.675 5.581 ( -1.431 -3.515 -2.654) 4.631 5.611 ( 2.602 5.168 2.127) 6.164 5.649 ( 0.056 1.841 -0.680) 1.963 5.736 ( -3.737 0.851 1.837) 4.250 5.765 ( 3.310 0.168 0.482) 3.349 5.771 ( 1.788 0.986 1.021) 2.283 5.811 ( -0.009 2.446 -1.517) 2.878 5.859 ( -4.389 4.791 1.550) 6.680 5.896 ( -1.545 1.257 -2.007) 2.828 5.960 ( 1.820 4.341 -1.134) 4.842 5.964 ( -3.539 1.600 -1.148) 4.050 6.038 ( -1.146 -1.223 3.645) 4.012 6.074 ( 1.330 -1.882 -0.049) 2.305 6.103 ( 0.431 -1.037 -0.737) 1.343 6.138 ( -1.066 0.304 -2.925) 3.128 6.207 ( -1.953 1.919 2.443) 3.669 6.247 ( -0.916 0.655 1.728) 2.062 6.310 ( -0.581 2.681 0.652) 2.820 6.325 ( 1.345 3.066 0.756) 3.432 6.404 ( -0.891 -2.361 4.748) 5.377 6.451 ( 0.051 -1.465 0.597) 1.583 6.465 ( -0.925 0.542 -0.334) 1.123 6.483 ( 2.265 -0.905 -1.319) 2.773 6.572 ( -0.316 -2.378 -1.785) 2.990 6.627 ( 1.937 -3.053 -6.297) 7.262 6.697 ( 0.228 -0.119 0.846) 0.884 6.736 ( 2.482 -1.536 -3.243) 4.362 6.807 ( 1.383 2.542 0.345) 2.914 6.818 ( -1.183 2.201 -1.062) 2.715 6.912 ( -0.895 2.946 0.536) 3.125 6.932 ( 0.903 4.098 -1.429) 4.433 7.045 ( -1.320 -2.329 2.799) 3.874 7.113 ( 0.748 -3.355 -4.328) 5.526 7.923 ( 1.044 -0.032 1.077) 1.500 7.929 ( 0.967 -0.257 0.267) 1.036 7.986 ( -0.200 0.171 1.111) 1.142 7.997 ( -1.497 -0.250 0.068) 1.519 8.922 ( -1.976 0.799 1.274) 2.483 8.923 ( 1.485 1.228 1.212) 2.276 8.953 ( -3.805 -0.229 3.786) 5.373 9.032 ( 4.173 -2.040 -4.402) 6.400 9.422 ( 0.579 0.887 3.177) 3.348 9.447 ( -0.932 0.658 0.732) 1.356 9.544 ( 1.492 -1.919 3.268) 4.073 9.616 ( -2.485 -4.157 -4.170) 6.391 9.925 ( -0.126 -0.051 0.594) 0.610 9.929 ( 0.414 -0.211 0.239) 0.522 9.986 ( -0.280 -0.308 1.152) 1.225 9.995 ( -0.364 -0.833 0.238) 0.940 10.414 ( 1.050 -0.370 2.439) 2.681 10.425 ( 3.982 -1.433 1.898) 4.638 10.476 ( -2.456 -0.221 0.921) 2.632 10.507 ( -2.381 -1.113 -2.618) 3.710 10.866 ( 0.478 -0.535 0.889) 1.142 10.876 ( -0.432 -1.544 0.058) 1.604 10.913 ( -1.211 -1.641 1.872) 2.769 10.955 ( -0.525 -3.048 -2.188) 3.789 11.050 ( 2.203 3.161 3.169) 4.989 11.107 ( -1.426 3.702 -2.255) 4.563 11.199 ( 1.295 -0.086 2.216) 2.568 11.241 ( -1.884 0.709 -2.094) 2.905 11.402 ( 0.208 3.540 4.296) 5.571 11.460 ( -0.996 1.703 1.619) 2.552 11.507 ( -0.334 0.317 -6.224) 6.241 11.530 ( 2.749 -0.179 -5.567) 6.211 ======================= Grid point 72 (41/45) ======================= q-point: (-0.25 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -2.922 6.684 13.971) 15.761 1.322 ( -0.912 1.290 7.676) 7.837 1.357 ( -2.593 -0.122 8.591) 8.975 1.451 ( -0.495 0.196 -0.427) 0.683 1.568 ( 2.218 -3.719 8.090) 9.176 1.611 ( 1.802 -2.354 -0.212) 2.972 1.630 ( -0.108 -0.209 -4.668) 4.674 1.674 ( -0.892 -2.828 0.975) 3.122 1.685 ( 3.600 -1.548 -2.905) 4.878 1.701 ( 2.237 -3.279 1.473) 4.234 1.743 ( -1.849 -2.009 -1.067) 2.932 1.800 ( -2.793 -4.421 -3.982) 6.573 1.875 ( 1.158 -3.382 0.495) 3.609 1.941 ( 3.331 -1.847 -3.090) 4.905 1.974 ( 2.465 -2.207 -0.600) 3.362 2.008 ( 3.600 0.511 0.650) 3.693 2.083 ( 0.530 -0.833 1.334) 1.659 2.106 ( -2.843 -0.080 0.455) 2.881 2.167 ( 2.147 1.074 -1.257) 2.710 2.194 ( 1.697 -0.425 5.792) 6.050 2.227 ( -2.317 2.080 0.615) 3.173 2.329 ( -4.662 1.737 0.152) 4.977 2.419 ( 1.655 -0.622 0.813) 1.946 2.436 ( 2.807 -0.389 -0.672) 2.912 2.476 ( -1.288 1.985 5.378) 5.876 2.492 ( -2.331 -1.083 -2.830) 3.823 2.562 ( 1.148 2.418 4.309) 5.073 2.624 ( -1.320 1.994 0.787) 2.517 2.651 ( 2.501 -2.643 -1.181) 3.826 2.666 ( -0.366 -0.810 0.248) 0.923 2.687 ( 1.432 -6.464 -2.142) 6.959 2.754 ( 4.351 -2.810 -0.233) 5.185 2.774 ( 1.028 -4.669 -3.050) 5.671 2.808 ( 2.369 0.643 0.880) 2.608 2.838 ( -0.252 -0.151 0.389) 0.487 2.876 ( -0.391 5.773 -6.132) 8.431 2.968 ( -3.917 3.272 0.482) 5.127 3.010 ( -1.494 0.180 -4.288) 4.544 3.090 ( -3.489 3.117 -0.709) 4.732 3.106 ( -1.752 2.169 0.162) 2.793 3.189 ( 0.005 4.944 0.830) 5.013 3.218 ( -3.041 2.382 0.311) 3.875 3.251 ( -1.641 2.880 4.099) 5.272 3.281 ( 0.466 1.097 -2.869) 3.106 3.309 ( 1.076 -1.940 0.170) 2.225 3.343 ( 1.398 4.464 0.024) 4.678 3.385 ( -3.926 0.266 -0.564) 3.975 3.424 ( 3.346 3.298 -1.797) 5.030 3.452 ( 0.411 1.369 5.788) 5.962 3.505 ( -0.008 -0.371 1.209) 1.265 3.555 ( -2.697 0.691 -1.156) 3.014 3.576 ( 2.486 -4.288 1.388) 5.147 3.610 ( -3.180 0.095 0.317) 3.197 3.656 ( 0.119 -1.361 1.042) 1.718 3.677 ( -1.988 0.159 -1.573) 2.540 3.715 ( -0.370 -0.754 1.519) 1.735 3.725 ( -0.672 -2.933 -0.976) 3.163 3.794 ( -1.308 -3.310 0.783) 3.644 3.816 ( 2.726 -4.057 1.285) 5.054 3.861 ( -2.214 0.387 -5.106) 5.578 3.914 ( 0.095 2.335 -2.794) 3.642 3.923 ( -0.789 3.438 0.809) 3.619 3.931 ( 0.540 1.064 4.893) 5.036 3.987 ( -2.167 0.268 0.099) 2.186 4.014 ( 0.520 2.551 1.357) 2.936 4.037 ( 3.870 1.455 0.122) 4.136 4.063 ( -2.807 1.557 4.389) 5.437 4.141 ( -0.626 1.554 -2.151) 2.726 4.143 ( 5.290 1.850 1.985) 5.946 4.216 ( 0.192 1.058 -1.675) 1.991 4.257 ( -0.640 -1.158 -1.460) 1.970 4.287 ( 1.726 2.400 -0.352) 2.977 4.344 ( -0.410 -5.233 2.097) 5.653 4.381 ( 0.332 -1.425 0.445) 1.530 4.432 ( 0.293 0.810 1.115) 1.409 4.451 ( -1.238 -1.058 -0.024) 1.629 4.491 ( 0.567 -4.178 0.409) 4.236 4.523 ( 3.749 -2.033 -0.700) 4.322 4.558 ( -0.050 1.479 3.243) 3.565 4.570 ( 0.466 -1.689 0.557) 1.839 4.594 ( 0.478 0.499 -1.755) 1.886 4.662 ( -0.925 -1.819 -2.256) 3.042 4.683 ( 1.404 0.898 -2.081) 2.667 4.704 ( -0.549 -2.395 2.145) 3.261 4.782 ( 4.188 -1.636 -0.033) 4.496 4.832 ( -1.515 0.834 -1.630) 2.377 4.852 ( -3.091 -0.491 3.219) 4.490 4.875 ( 2.491 -3.554 3.730) 5.723 4.930 ( -1.824 0.174 -2.725) 3.284 4.947 ( 1.419 -0.563 -2.965) 3.335 4.996 ( 0.028 0.786 -2.057) 2.202 5.053 ( 0.616 1.649 -2.277) 2.878 5.104 ( -1.270 -2.025 -3.372) 4.133 5.141 ( -0.776 -2.438 2.630) 3.669 5.228 ( 3.066 -1.411 -0.957) 3.508 5.253 ( 0.983 -1.244 -0.370) 1.628 5.303 ( 3.072 2.608 0.708) 4.091 5.318 ( -2.871 0.250 -0.601) 2.944 5.379 ( -0.639 0.405 -5.228) 5.282 5.424 ( 1.007 -2.229 4.253) 4.906 5.444 ( 0.911 -1.401 -7.529) 7.712 5.502 ( 1.505 -2.509 -1.954) 3.518 5.562 ( -1.959 0.202 -1.745) 2.632 5.601 ( 0.670 -1.829 0.304) 1.972 5.605 ( 1.293 4.015 0.345) 4.233 5.650 ( -0.993 1.539 1.635) 2.456 5.686 ( -0.640 3.122 0.510) 3.227 5.747 ( -3.431 2.636 -0.770) 4.395 5.776 ( -3.071 0.888 3.944) 5.077 5.821 ( -0.512 3.421 -2.137) 4.066 5.836 ( 1.137 0.685 -0.331) 1.368 5.854 ( 1.456 0.158 0.243) 1.485 5.868 ( -4.298 3.369 -0.211) 5.465 6.013 ( 2.356 3.438 -0.220) 4.174 6.049 ( -2.727 -1.485 0.625) 3.168 6.063 ( 1.675 0.486 0.896) 1.960 6.125 ( 1.021 -0.446 2.295) 2.552 6.145 ( 2.502 -0.955 -1.585) 3.112 6.190 ( -0.598 1.117 2.032) 2.395 6.215 ( -2.096 0.934 3.761) 4.406 6.275 ( -2.641 0.046 1.531) 3.053 6.328 ( -1.240 0.292 0.804) 1.506 6.356 ( -4.197 -1.893 2.127) 5.072 6.410 ( -2.563 -1.118 -0.851) 2.923 6.472 ( 1.294 2.625 0.552) 2.978 6.547 ( 2.786 -0.060 -2.344) 3.641 6.587 ( 2.065 -0.999 -1.616) 2.807 6.644 ( 1.042 -2.385 -5.109) 5.733 6.722 ( 1.900 1.003 -0.998) 2.369 6.771 ( -1.477 0.645 -0.985) 1.890 6.804 ( 3.716 1.413 -1.900) 4.406 6.859 ( 2.068 1.732 -0.799) 2.813 6.913 ( 1.711 1.094 -1.204) 2.361 6.948 ( 0.921 2.577 -0.314) 2.755 7.006 ( -2.962 -2.539 2.681) 4.734 7.087 ( -2.249 -2.293 -3.187) 4.525 7.904 ( -1.682 0.101 -0.149) 1.691 7.911 ( -1.680 -0.176 -0.669) 1.817 8.029 ( 3.317 0.076 0.874) 3.431 8.044 ( 3.859 -0.504 1.232) 4.082 8.836 ( -6.444 -0.137 1.644) 6.652 8.840 ( -6.207 -0.176 1.152) 6.316 8.945 ( -0.539 1.328 1.412) 2.012 9.018 ( -2.891 -1.502 -1.558) 3.611 9.470 ( 2.732 -0.353 1.980) 3.392 9.519 ( 5.856 -0.040 0.312) 5.864 9.582 ( 1.210 -2.426 -0.643) 2.786 9.617 ( 3.285 -1.418 1.868) 4.036 9.906 ( -1.569 -0.067 0.230) 1.588 9.913 ( -1.794 -0.444 0.032) 1.849 9.990 ( 0.107 -0.223 1.440) 1.461 9.999 ( 0.479 -0.647 0.682) 1.056 10.384 ( -2.660 0.280 -0.833) 2.802 10.421 ( -2.869 -0.484 -2.980) 4.164 10.490 ( 1.577 -0.053 3.996) 4.296 10.536 ( 3.693 -3.596 1.198) 5.292 10.853 ( -1.000 -1.709 0.508) 2.045 10.886 ( 0.155 -2.174 0.052) 2.180 10.904 ( 0.525 -1.081 2.129) 2.445 10.985 ( 2.816 -3.559 1.216) 4.698 11.049 ( -2.275 3.828 -1.561) 4.718 11.113 ( 1.676 3.096 0.565) 3.566 11.193 ( -0.752 1.882 -0.105) 2.029 11.246 ( 1.380 -0.712 1.146) 1.930 11.379 ( -2.731 3.807 2.143) 5.152 11.458 ( -1.183 0.068 -4.076) 4.244 11.483 ( 1.189 2.968 0.773) 3.289 11.577 ( 2.919 -0.247 -6.732) 7.342 ======================= Grid point 73 (42/45) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.540 -1.341 1.551) 2.121 1.304 ( -0.540 1.341 1.551) 2.121 1.406 ( -1.365 -5.535 10.136) 11.629 1.406 ( -1.365 5.535 10.136) 11.629 1.529 ( -1.072 -4.060 7.039) 8.197 1.529 ( -1.072 4.060 7.039) 8.197 1.588 ( -3.030 -1.077 -1.934) 3.752 1.588 ( -3.030 1.077 -1.934) 3.752 1.681 ( -0.232 -2.655 2.461) 3.628 1.681 ( -0.232 2.655 2.461) 3.628 1.753 ( 1.623 -2.863 2.430) 4.091 1.753 ( 1.623 2.863 2.430) 4.091 1.894 ( 1.256 -2.973 -6.488) 7.246 1.894 ( 1.256 2.973 -6.488) 7.246 2.072 ( -0.710 -1.876 -2.271) 3.030 2.072 ( -0.710 1.876 -2.271) 3.030 2.141 ( 3.298 -2.351 1.136) 4.206 2.141 ( 3.298 2.351 1.136) 4.206 2.183 ( 0.918 -2.067 0.242) 2.274 2.183 ( 0.918 2.067 0.242) 2.274 2.299 ( -0.810 -3.270 -0.337) 3.385 2.299 ( -0.810 3.270 -0.337) 3.385 2.363 ( 0.029 -1.575 -3.879) 4.186 2.363 ( 0.029 1.575 -3.879) 4.186 2.533 ( -3.591 -3.395 6.162) 7.899 2.533 ( -3.591 3.395 6.162) 7.899 2.611 ( 3.882 -3.276 4.369) 6.700 2.611 ( 3.882 3.276 4.369) 6.700 2.654 ( -0.513 -4.088 -3.234) 5.238 2.654 ( -0.513 4.088 -3.234) 5.238 2.709 ( 1.721 -2.160 2.801) 3.934 2.709 ( 1.721 2.160 2.801) 3.934 2.789 ( 0.559 -1.669 -3.475) 3.895 2.789 ( 0.559 1.669 -3.475) 3.895 2.846 ( -2.077 -1.221 -2.577) 3.528 2.846 ( -2.077 1.221 -2.577) 3.528 2.975 ( -4.371 -2.159 -2.391) 5.430 2.975 ( -4.371 2.159 -2.391) 5.430 3.003 ( 2.359 -3.168 -4.912) 6.303 3.003 ( 2.359 3.168 -4.912) 6.303 3.232 ( -0.401 -1.358 3.886) 4.136 3.232 ( -0.401 1.358 3.886) 4.136 3.278 ( 0.430 -1.844 1.789) 2.605 3.278 ( 0.430 1.844 1.789) 2.605 3.375 ( 1.453 -1.998 3.971) 4.677 3.375 ( 1.453 1.998 3.971) 4.677 3.462 ( -3.051 -4.082 -2.113) 5.517 3.462 ( -3.051 4.082 -2.113) 5.517 3.495 ( 0.616 -1.899 1.261) 2.361 3.495 ( 0.616 1.899 1.261) 2.361 3.552 ( 1.495 -1.880 0.513) 2.456 3.552 ( 1.495 1.880 0.513) 2.456 3.599 ( -1.575 -2.081 -0.158) 2.614 3.599 ( -1.575 2.081 -0.158) 2.614 3.670 ( 0.946 -1.410 -3.978) 4.325 3.670 ( 0.946 1.410 -3.978) 4.325 3.787 ( 0.717 -3.111 0.690) 3.267 3.787 ( 0.717 3.111 0.690) 3.267 3.807 ( 2.743 -1.437 2.655) 4.079 3.807 ( 2.743 1.437 2.655) 4.079 3.917 ( -3.853 -2.075 -0.792) 4.447 3.917 ( -3.853 2.075 -0.792) 4.447 3.958 ( -0.334 -1.111 1.881) 2.210 3.958 ( -0.334 1.111 1.881) 2.210 4.062 ( 0.849 -1.428 3.632) 3.994 4.062 ( 0.849 1.428 3.632) 3.994 4.154 ( -2.620 -0.500 -3.576) 4.461 4.154 ( -2.620 0.500 -3.576) 4.461 4.194 ( 2.159 -2.877 1.027) 3.741 4.194 ( 2.159 2.877 1.027) 3.741 4.291 ( 0.806 -3.862 1.404) 4.187 4.291 ( 0.806 3.862 1.404) 4.187 4.344 ( 3.086 -3.675 -1.261) 4.962 4.344 ( 3.086 3.675 -1.261) 4.962 4.419 ( -1.542 -3.709 -1.008) 4.141 4.419 ( -1.542 3.709 -1.008) 4.141 4.487 ( -0.495 -2.192 -0.488) 2.300 4.487 ( -0.495 2.192 -0.488) 2.300 4.518 ( -0.155 -1.897 -2.124) 2.852 4.518 ( -0.155 1.897 -2.124) 2.852 4.615 ( -2.031 -1.611 1.989) 3.268 4.615 ( -2.031 1.611 1.989) 3.268 4.732 ( 1.405 -1.718 0.557) 2.288 4.732 ( 1.405 1.718 0.557) 2.288 4.780 ( 0.072 -0.866 3.622) 3.725 4.780 ( 0.072 0.866 3.622) 3.725 4.892 ( 0.464 -0.546 2.845) 2.934 4.892 ( 0.464 0.546 2.845) 2.934 4.943 ( 1.428 -2.732 -7.311) 7.934 4.943 ( 1.428 2.732 -7.311) 7.934 4.958 ( -2.388 -1.323 -3.142) 4.163 4.958 ( -2.388 1.323 -3.142) 4.163 5.147 ( 1.478 -0.666 2.484) 2.966 5.147 ( 1.478 0.666 2.484) 2.966 5.250 ( -0.360 -1.168 1.220) 1.727 5.250 ( -0.360 1.168 1.220) 1.727 5.306 ( -1.143 -1.105 -1.708) 2.333 5.306 ( -1.143 1.105 -1.708) 2.333 5.357 ( -0.356 -1.257 -4.611) 4.793 5.357 ( -0.356 1.257 -4.611) 4.793 5.515 ( 4.606 -4.360 0.561) 6.367 5.515 ( 4.606 4.360 0.561) 6.367 5.537 ( -3.760 -5.163 -1.727) 6.616 5.537 ( -3.760 5.163 -1.727) 6.616 5.667 ( -3.128 -1.864 2.758) 4.568 5.667 ( -3.128 1.864 2.758) 4.568 5.683 ( -0.424 -0.959 0.465) 1.147 5.683 ( -0.424 0.959 0.465) 1.147 5.811 ( 1.583 -1.704 0.279) 2.342 5.811 ( 1.583 1.704 0.279) 2.342 5.866 ( 2.044 -1.631 -3.187) 4.122 5.866 ( 2.044 1.631 -3.187) 4.122 6.009 ( 1.675 -1.772 0.979) 2.627 6.009 ( 1.675 1.772 0.979) 2.627 6.075 ( 0.301 -2.025 -1.046) 2.299 6.075 ( 0.301 2.025 -1.046) 2.299 6.155 ( -2.196 -3.033 1.957) 4.225 6.155 ( -2.196 3.033 1.957) 4.225 6.185 ( 2.851 -2.425 -0.061) 3.743 6.185 ( 2.851 2.425 -0.061) 3.743 6.279 ( 0.210 -1.758 2.700) 3.229 6.279 ( 0.210 1.758 2.700) 3.229 6.328 ( -1.275 -2.370 -0.679) 2.775 6.328 ( -1.275 2.370 -0.679) 2.775 6.558 ( -0.348 -1.597 -1.796) 2.428 6.558 ( -0.348 1.597 -1.796) 2.428 6.592 ( -0.221 -0.714 -1.340) 1.534 6.592 ( -0.221 0.714 -1.340) 1.534 6.753 ( -1.499 -1.046 -0.018) 1.828 6.753 ( -1.499 1.046 -0.018) 1.828 6.905 ( 0.109 -0.494 -0.579) 0.769 6.905 ( 0.109 0.494 -0.579) 0.769 6.931 ( 1.710 -1.348 -1.317) 2.545 6.931 ( 1.710 1.348 -1.317) 2.545 6.998 ( -0.362 -0.408 -0.463) 0.715 6.998 ( -0.362 0.408 -0.463) 0.715 7.886 ( -0.494 -0.238 0.245) 0.601 7.886 ( -0.494 0.238 0.245) 0.601 8.077 ( 0.016 -0.124 0.791) 0.801 8.077 ( 0.016 0.124 0.791) 0.801 8.771 ( 0.778 -0.863 -0.043) 1.163 8.771 ( 0.778 0.863 -0.043) 1.163 8.953 ( -0.923 -0.628 1.290) 1.706 8.953 ( -0.923 0.628 1.290) 1.706 9.500 ( -0.919 -0.708 2.356) 2.626 9.500 ( -0.919 0.708 2.356) 2.626 9.653 ( 1.073 -0.346 -0.234) 1.151 9.653 ( 1.073 0.346 -0.234) 1.151 9.883 ( -0.191 -0.067 0.209) 0.291 9.883 ( -0.191 0.067 0.209) 0.291 9.994 ( -0.117 -0.302 1.080) 1.127 9.994 ( -0.117 0.302 1.080) 1.127 10.367 ( -0.836 -0.471 -0.495) 1.080 10.367 ( -0.836 0.471 -0.495) 1.080 10.527 ( 0.566 -1.115 1.866) 2.247 10.527 ( 0.566 1.115 1.866) 2.247 10.822 ( -0.201 -0.760 -0.084) 0.790 10.822 ( -0.201 0.760 -0.084) 0.790 10.976 ( 1.926 -2.124 3.612) 4.612 10.976 ( 1.926 2.124 3.612) 4.612 11.064 ( -2.807 -2.266 -1.395) 3.868 11.064 ( -2.807 2.266 -1.395) 3.868 11.264 ( 1.578 -1.159 -0.039) 1.958 11.264 ( 1.578 1.159 -0.039) 1.958 11.415 ( -0.294 -2.436 -1.856) 3.077 11.415 ( -0.294 2.436 -1.856) 3.077 11.565 ( 0.318 -2.325 -3.834) 4.495 11.565 ( 0.318 2.325 -3.834) 4.495 ======================= Grid point 75 (43/45) ======================= q-point: ( 0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.336 ( 2.445 -3.137 3.187) 5.096 1.336 ( 2.445 3.137 3.187) 5.096 1.429 ( 0.133 -3.461 10.897) 11.434 1.429 ( 0.133 3.461 10.897) 11.434 1.521 ( -2.578 -4.969 5.412) 7.786 1.521 ( -2.578 4.969 5.412) 7.786 1.551 ( 0.946 -2.321 1.739) 3.050 1.551 ( 0.946 2.321 1.739) 3.050 1.680 ( -0.983 -1.312 2.901) 3.332 1.680 ( -0.983 1.312 2.901) 3.332 1.740 ( -1.715 -2.799 -2.524) 4.141 1.740 ( -1.715 2.799 -2.524) 4.141 1.865 ( -2.663 -3.884 -4.639) 6.610 1.865 ( -2.663 3.884 -4.639) 6.610 2.022 ( -3.883 -2.600 -0.309) 4.683 2.022 ( -3.883 2.600 -0.309) 4.683 2.142 ( -1.515 -4.250 -4.646) 6.477 2.142 ( -1.515 4.250 -4.646) 6.477 2.197 ( -0.709 -5.273 -4.813) 7.175 2.197 ( -0.709 5.273 -4.813) 7.175 2.314 ( 3.015 -5.392 4.197) 7.469 2.314 ( 3.015 5.392 4.197) 7.469 2.389 ( 3.520 -2.362 -1.044) 4.366 2.389 ( 3.520 2.362 -1.044) 4.366 2.465 ( -4.809 -2.803 0.546) 5.593 2.465 ( -4.809 2.803 0.546) 5.593 2.596 ( -1.566 -1.123 3.154) 3.696 2.596 ( -1.566 1.123 3.154) 3.696 2.665 ( -1.153 -1.210 -1.462) 2.220 2.665 ( -1.153 1.210 -1.462) 2.220 2.734 ( -0.978 -2.214 -2.207) 3.276 2.734 ( -0.978 2.214 -2.207) 3.276 2.796 ( 0.869 -1.379 -1.846) 2.463 2.796 ( 0.869 1.379 -1.846) 2.463 2.861 ( 2.829 -2.409 2.323) 4.381 2.861 ( 2.829 2.409 2.323) 4.381 2.917 ( 1.182 -3.105 -1.134) 3.511 2.917 ( 1.182 3.105 -1.134) 3.511 3.096 ( 6.281 -2.576 0.010) 6.788 3.096 ( 6.281 2.576 0.010) 6.788 3.242 ( -0.221 -2.858 2.707) 3.943 3.242 ( -0.221 2.858 2.707) 3.943 3.300 ( 1.223 -2.876 -0.835) 3.234 3.300 ( 1.223 2.876 -0.835) 3.234 3.414 ( 1.704 -0.790 3.928) 4.354 3.414 ( 1.704 0.790 3.928) 4.354 3.423 ( -0.253 -5.027 1.778) 5.338 3.423 ( -0.253 5.027 1.778) 5.338 3.484 ( -3.038 -4.167 0.068) 5.157 3.484 ( -3.038 4.167 0.068) 5.157 3.547 ( -0.046 -1.327 1.912) 2.328 3.547 ( -0.046 1.327 1.912) 2.328 3.606 ( 0.753 -0.898 -1.293) 1.745 3.606 ( 0.753 0.898 -1.293) 1.745 3.689 ( 1.062 -2.236 -2.207) 3.316 3.689 ( 1.062 2.236 -2.207) 3.316 3.764 ( -4.869 -1.062 -2.241) 5.464 3.764 ( -4.869 1.062 -2.241) 5.464 3.814 ( 1.871 -1.808 -0.002) 2.602 3.814 ( 1.871 1.808 -0.002) 2.602 3.886 ( -0.575 -1.301 2.496) 2.873 3.886 ( -0.575 1.301 2.496) 2.873 3.974 ( 0.704 -1.834 1.675) 2.582 3.974 ( 0.704 1.834 1.675) 2.582 4.042 ( -2.691 -3.300 -0.532) 4.292 4.042 ( -2.691 3.300 -0.532) 4.292 4.152 ( 4.292 -1.317 1.994) 4.913 4.152 ( 4.292 1.317 1.994) 4.913 4.244 ( 0.862 -3.185 -0.644) 3.362 4.244 ( 0.862 3.185 -0.644) 3.362 4.291 ( -1.763 -3.680 -1.793) 4.457 4.291 ( -1.763 3.680 -1.793) 4.457 4.311 ( -3.493 -4.095 0.096) 5.383 4.311 ( -3.493 4.095 0.096) 5.383 4.417 ( 0.433 -1.857 -2.222) 2.927 4.417 ( 0.433 1.857 -2.222) 2.927 4.490 ( 0.817 -2.744 -1.156) 3.088 4.490 ( 0.817 2.744 -1.156) 3.088 4.527 ( 1.759 -0.493 -0.445) 1.881 4.527 ( 1.759 0.493 -0.445) 1.881 4.609 ( 1.001 -3.857 2.257) 4.580 4.609 ( 1.001 3.857 2.257) 4.580 4.698 ( -3.541 -0.822 1.419) 3.903 4.698 ( -3.541 0.822 1.419) 3.903 4.796 ( -2.879 -3.364 -0.419) 4.447 4.796 ( -2.879 3.364 -0.419) 4.447 4.871 ( -1.688 -4.469 1.789) 5.101 4.871 ( -1.688 4.469 1.789) 5.101 4.913 ( 0.950 -1.530 -1.595) 2.406 4.913 ( 0.950 1.530 -1.595) 2.406 4.999 ( 4.457 -1.997 -3.760) 6.164 4.999 ( 4.457 1.997 -3.760) 6.164 5.137 ( -1.190 -3.104 -0.385) 3.347 5.137 ( -1.190 3.104 -0.385) 3.347 5.208 ( -2.272 -2.428 0.685) 3.395 5.208 ( -2.272 2.428 0.685) 3.395 5.342 ( 1.289 -1.790 -2.521) 3.350 5.342 ( 1.289 1.790 -2.521) 3.350 5.359 ( -0.662 -2.000 2.453) 3.233 5.359 ( -0.662 2.000 2.453) 3.233 5.460 ( -0.066 -3.395 -4.762) 5.849 5.460 ( -0.066 3.395 -4.762) 5.849 5.564 ( -1.832 -0.711 0.505) 2.029 5.564 ( -1.832 0.711 0.505) 2.029 5.648 ( 2.540 -3.141 2.658) 4.835 5.648 ( 2.540 3.141 2.658) 4.835 5.690 ( 0.598 -1.370 2.798) 3.172 5.690 ( 0.598 1.370 2.798) 3.172 5.838 ( 1.400 -1.207 -1.623) 2.459 5.838 ( 1.400 1.207 -1.623) 2.459 5.928 ( 2.425 -1.923 -3.020) 4.324 5.928 ( 2.425 1.923 -3.020) 4.324 5.984 ( -0.731 -4.080 -1.727) 4.491 5.984 ( -0.731 4.080 -1.727) 4.491 6.080 ( -2.290 -2.685 1.313) 3.765 6.080 ( -2.290 2.685 1.313) 3.765 6.131 ( -0.664 -5.376 -0.884) 5.489 6.131 ( -0.664 5.376 -0.884) 5.489 6.234 ( 1.932 -0.486 1.637) 2.578 6.234 ( 1.932 0.486 1.637) 2.578 6.321 ( 2.720 -1.042 2.716) 3.982 6.321 ( 2.720 1.042 2.716) 3.982 6.338 ( 3.160 -2.558 -1.159) 4.227 6.338 ( 3.160 2.558 -1.159) 4.227 6.519 ( -2.847 -1.122 -0.443) 3.092 6.519 ( -2.847 1.122 -0.443) 3.092 6.574 ( -1.246 -2.432 -2.302) 3.573 6.574 ( -1.246 2.432 -2.302) 3.573 6.714 ( -2.027 -1.091 0.551) 2.367 6.714 ( -2.027 1.091 0.551) 2.367 6.872 ( -2.186 -2.298 -0.189) 3.177 6.872 ( -2.186 2.298 -0.189) 3.177 6.972 ( 1.948 -2.902 -0.836) 3.594 6.972 ( 1.948 2.902 -0.836) 3.594 7.010 ( 1.266 -3.571 -1.255) 3.991 7.010 ( 1.266 3.571 -1.255) 3.991 7.893 ( 1.101 -0.362 1.060) 1.570 7.893 ( 1.101 0.362 1.060) 1.570 8.041 ( -3.312 -0.499 0.393) 3.372 8.041 ( -3.312 0.499 0.393) 3.372 8.861 ( 7.685 -2.022 -1.389) 8.067 8.861 ( 7.685 2.022 -1.389) 8.067 8.955 ( 0.063 -0.491 2.452) 2.501 8.955 ( 0.063 0.491 2.452) 2.501 9.465 ( -3.005 -0.936 3.266) 4.536 9.465 ( -3.005 0.936 3.266) 4.536 9.612 ( -4.354 -2.810 -1.766) 5.474 9.612 ( -4.354 2.810 -1.766) 5.474 9.903 ( 1.649 -0.110 0.488) 1.724 9.903 ( 1.649 0.110 0.488) 1.724 9.991 ( -0.543 -0.245 0.917) 1.093 9.991 ( -0.543 0.245 0.917) 1.093 10.372 ( 1.219 -0.341 1.300) 1.815 10.372 ( 1.219 0.341 1.300) 1.815 10.521 ( -1.470 -1.035 0.128) 1.802 10.521 ( -1.470 1.035 0.128) 1.802 10.832 ( 1.158 -0.264 0.440) 1.266 10.832 ( 1.158 0.264 0.440) 1.266 10.965 ( -3.213 -1.779 -1.143) 3.847 10.965 ( -3.213 1.779 -1.143) 3.847 11.062 ( 2.061 -2.638 3.953) 5.180 11.062 ( 2.061 2.638 3.953) 5.180 11.264 ( -1.064 -1.902 -2.660) 3.438 11.264 ( -1.064 1.902 -2.660) 3.438 11.432 ( 2.335 -2.793 -0.632) 3.695 11.432 ( 2.335 2.793 -0.632) 3.695 11.543 ( -1.349 -1.934 -3.225) 3.995 11.543 ( -1.349 1.934 -3.225) 3.995 ======================= Grid point 77 (44/45) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 43 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.734 -4.739 6.483) 8.064 1.387 ( 0.734 4.739 6.483) 8.064 1.440 ( -1.575 -6.819 7.326) 10.131 1.440 ( -1.576 6.819 7.326) 10.131 1.491 ( -2.481 -2.753 4.574) 5.887 1.491 ( -2.481 2.753 4.574) 5.887 1.595 ( 1.311 -3.525 0.932) 3.874 1.595 ( 1.311 3.524 0.932) 3.874 1.654 ( -0.186 -3.526 -0.529) 3.570 1.654 ( -0.186 3.526 -0.529) 3.570 1.774 ( 4.876 -3.610 2.673) 6.630 1.774 ( 4.876 3.610 2.673) 6.630 1.800 ( -1.527 -3.117 -3.799) 5.146 1.800 ( -1.527 3.117 -3.799) 5.146 1.945 ( -2.974 -1.303 -1.303) 3.498 1.945 ( -2.974 1.303 -1.303) 3.498 2.097 ( -1.253 -1.645 -2.138) 2.975 2.097 ( -1.253 1.645 -2.138) 2.975 2.170 ( -0.299 -3.971 -5.998) 7.199 2.170 ( -0.299 3.971 -5.998) 7.199 2.326 ( -1.901 -2.571 2.411) 4.005 2.326 ( -1.901 2.571 2.411) 4.005 2.423 ( 0.823 -2.543 -0.311) 2.691 2.423 ( 0.823 2.543 -0.311) 2.691 2.505 ( 4.865 -2.490 2.284) 5.923 2.505 ( 4.865 2.490 2.284) 5.923 2.572 ( 0.314 -1.355 0.979) 1.701 2.572 ( 0.314 1.355 0.979) 1.701 2.646 ( -1.334 -4.754 -1.979) 5.320 2.646 ( -1.334 4.754 -1.979) 5.320 2.677 ( -2.774 -2.075 -0.360) 3.483 2.677 ( -2.774 2.075 -0.360) 3.483 2.759 ( -2.275 -4.291 -4.070) 6.337 2.759 ( -2.275 4.291 -4.070) 6.337 2.923 ( 2.260 -3.408 -0.209) 4.095 2.923 ( 2.260 3.408 -0.209) 4.095 2.994 ( 4.255 -2.100 2.283) 5.266 2.994 ( 4.255 2.100 2.283) 5.266 3.182 ( 0.021 -3.402 3.243) 4.700 3.182 ( 0.021 3.402 3.243) 4.700 3.223 ( -0.206 -2.137 -1.373) 2.548 3.223 ( -0.206 2.137 -1.373) 2.548 3.302 ( -1.109 -2.919 -0.764) 3.215 3.302 ( -1.109 2.919 -0.764) 3.215 3.407 ( -3.392 -6.424 0.857) 7.316 3.407 ( -3.392 6.424 0.857) 7.316 3.441 ( 1.067 -4.745 2.111) 5.302 3.441 ( 1.067 4.745 2.111) 5.302 3.473 ( -0.815 -1.068 3.696) 3.932 3.473 ( -0.815 1.068 3.696) 3.932 3.542 ( 0.372 -1.745 1.305) 2.210 3.542 ( 0.372 1.745 1.305) 2.210 3.595 ( 0.638 -4.361 1.464) 4.644 3.595 ( 0.638 4.361 1.464) 4.644 3.684 ( -1.268 -1.955 -2.067) 3.115 3.684 ( -1.268 1.955 -2.067) 3.115 3.715 ( 0.030 -3.219 -1.534) 3.566 3.715 ( 0.030 3.219 -1.534) 3.566 3.854 ( -0.976 -2.075 0.102) 2.295 3.854 ( -0.976 2.075 0.102) 2.295 3.874 ( 1.438 -2.356 5.574) 6.220 3.874 ( 1.438 2.356 5.574) 6.220 3.995 ( 1.528 -2.401 -2.320) 3.671 3.995 ( 1.528 2.401 -2.320) 3.671 4.036 ( 1.175 -1.474 -2.150) 2.860 4.036 ( 1.175 1.474 -2.150) 2.860 4.177 ( -2.815 -4.120 1.988) 5.371 4.177 ( -2.815 4.120 1.988) 5.371 4.208 ( -2.119 -1.511 0.272) 2.617 4.208 ( -2.119 1.511 0.272) 2.617 4.276 ( 0.578 -2.861 -0.897) 3.053 4.276 ( 0.578 2.861 -0.897) 3.053 4.297 ( 0.916 -1.708 -0.744) 2.076 4.297 ( 0.916 1.708 -0.744) 2.076 4.408 ( 0.768 -2.263 -3.665) 4.375 4.408 ( 0.768 2.263 -3.665) 4.375 4.498 ( -0.652 -3.699 0.571) 3.799 4.498 ( -0.652 3.699 0.571) 3.799 4.551 ( 1.125 -0.960 -1.932) 2.434 4.551 ( 1.125 0.960 -1.932) 2.434 4.644 ( -0.520 -1.790 1.293) 2.269 4.644 ( -0.520 1.790 1.293) 2.269 4.667 ( 2.084 -2.307 2.106) 3.755 4.667 ( 2.084 2.307 2.106) 3.755 4.706 ( -2.477 -1.701 -0.158) 3.009 4.706 ( -2.477 1.701 -0.158) 3.009 4.882 ( -0.589 -3.803 0.453) 3.875 4.882 ( -0.589 3.803 0.453) 3.875 4.929 ( 1.987 -1.307 -2.657) 3.566 4.929 ( 1.987 1.307 -2.657) 3.566 5.056 ( 1.062 -1.299 -1.875) 2.516 5.056 ( 1.062 1.299 -1.875) 2.516 5.135 ( -1.392 -2.963 0.589) 3.326 5.135 ( -1.392 2.963 0.589) 3.326 5.172 ( 0.943 -0.966 -0.515) 1.445 5.172 ( 0.943 0.966 -0.515) 1.445 5.319 ( 0.397 -1.613 0.240) 1.678 5.319 ( 0.397 1.613 0.240) 1.678 5.360 ( -0.402 -0.933 -2.143) 2.372 5.360 ( -0.402 0.933 -2.143) 2.372 5.472 ( 0.410 -0.799 -0.690) 1.133 5.472 ( 0.410 0.799 -0.690) 1.133 5.547 ( 0.460 -1.224 -2.117) 2.488 5.547 ( 0.460 1.224 -2.117) 2.488 5.673 ( 0.783 -1.163 2.359) 2.745 5.673 ( 0.783 1.163 2.359) 2.745 5.753 ( 2.885 -2.236 1.237) 3.853 5.753 ( 2.885 2.236 1.237) 3.853 5.849 ( -1.782 -2.313 -1.061) 3.106 5.849 ( -1.782 2.313 -1.061) 3.106 5.877 ( -1.736 -0.749 -1.876) 2.663 5.877 ( -1.736 0.749 -1.876) 2.663 5.990 ( -2.529 -1.608 1.428) 3.320 5.990 ( -2.529 1.608 1.428) 3.320 6.060 ( 1.564 -1.143 -0.713) 2.065 6.060 ( 1.564 1.143 -0.713) 2.065 6.110 ( -1.081 -3.020 0.737) 3.291 6.110 ( -1.081 3.020 0.737) 3.291 6.242 ( -1.409 -0.948 3.407) 3.807 6.242 ( -1.409 0.948 3.407) 3.807 6.352 ( -1.554 -1.231 2.432) 3.137 6.352 ( -1.554 1.231 2.432) 3.137 6.398 ( 0.671 -2.568 -0.048) 2.654 6.398 ( 0.671 2.568 -0.048) 2.654 6.489 ( 1.617 -1.083 -0.896) 2.143 6.489 ( 1.617 1.083 -0.896) 2.143 6.555 ( 1.304 -2.779 -5.244) 6.076 6.555 ( 1.304 2.779 -5.244) 6.076 6.703 ( 1.349 -1.044 -1.503) 2.273 6.703 ( 1.349 1.044 -1.503) 2.273 6.850 ( 0.051 -0.407 0.075) 0.417 6.850 ( 0.051 0.407 0.075) 0.417 6.976 ( -1.605 -3.038 1.878) 3.916 6.976 ( -1.605 3.038 1.878) 3.916 7.028 ( 1.023 -4.138 -2.833) 5.117 7.028 ( 1.023 4.138 -2.833) 5.117 7.924 ( 0.967 -0.190 0.717) 1.219 7.924 ( 0.967 0.190 0.717) 1.219 7.991 ( -0.900 -0.308 0.523) 1.086 7.991 ( -0.900 0.308 0.523) 1.086 8.935 ( -3.333 -0.616 2.487) 4.204 8.935 ( -3.333 0.616 2.487) 4.204 8.979 ( 3.234 -2.701 -1.445) 4.455 8.979 ( 3.234 2.701 -1.445) 4.455 9.449 ( 1.018 -1.202 2.645) 3.078 9.449 ( 1.018 1.202 2.645) 3.078 9.535 ( -1.814 -2.354 -0.656) 3.043 9.535 ( -1.814 2.354 -0.656) 3.043 9.925 ( 0.103 -0.086 0.433) 0.453 9.925 ( 0.103 0.086 0.433) 0.453 9.983 ( -0.246 -0.173 0.847) 0.899 9.983 ( -0.246 0.173 0.847) 0.899 10.411 ( 1.748 -0.124 1.871) 2.563 10.411 ( 1.748 0.124 1.871) 2.563 10.483 ( -1.923 -0.898 -0.503) 2.181 10.483 ( -1.923 0.898 -0.503) 2.181 10.859 ( 0.967 -0.182 1.135) 1.502 10.859 ( 0.967 0.182 1.135) 1.502 10.904 ( -2.065 -1.270 -0.784) 2.548 10.904 ( -2.065 1.270 -0.784) 2.548 11.115 ( 1.840 -2.364 3.490) 4.599 11.115 ( 1.840 2.364 3.490) 4.599 11.227 ( -1.503 -1.863 -2.824) 3.702 11.227 ( -1.503 1.863 -2.824) 3.702 11.469 ( 0.259 -1.847 0.019) 1.865 11.469 ( 0.259 1.847 0.019) 1.865 11.517 ( 1.030 -0.918 -4.114) 4.339 11.517 ( 1.030 0.918 -4.114) 4.339 ======================= Grid point 79 (45/45) ======================= q-point: (-0.25 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -4.301 -1.345 1.314) 4.695 1.352 ( -4.301 1.345 1.314) 4.695 1.420 ( -3.049 -6.998 9.091) 11.871 1.420 ( -3.049 6.998 9.091) 11.871 1.505 ( 1.498 -4.447 8.767) 9.944 1.505 ( 1.498 4.447 8.767) 9.944 1.628 ( 0.185 -2.534 -1.670) 3.040 1.628 ( 0.185 2.534 -1.670) 3.040 1.655 ( 2.133 -1.140 0.708) 2.520 1.655 ( 2.133 1.140 0.708) 2.520 1.740 ( -2.429 -1.415 -0.853) 2.938 1.740 ( -2.429 1.415 -0.853) 2.938 1.877 ( 2.667 -2.415 -6.369) 7.315 1.877 ( 2.667 2.415 -6.369) 7.315 1.990 ( 7.638 -2.171 2.866) 8.442 1.990 ( 7.638 2.171 2.866) 8.442 2.105 ( 1.788 -0.791 1.123) 2.255 2.105 ( 1.788 0.791 1.123) 2.255 2.151 ( 0.157 -2.597 -1.354) 2.933 2.151 ( 0.157 2.597 -1.354) 2.933 2.308 ( -0.595 -5.009 1.494) 5.261 2.308 ( -0.595 5.009 1.494) 5.261 2.421 ( -2.814 -0.381 -0.952) 2.995 2.421 ( -2.814 0.381 -0.952) 2.995 2.526 ( 0.752 -5.875 -3.577) 6.919 2.526 ( 0.752 5.875 -3.577) 6.919 2.588 ( 0.507 -2.353 2.743) 3.649 2.588 ( 0.507 2.353 2.743) 3.649 2.622 ( -0.436 -1.500 2.724) 3.140 2.622 ( -0.436 1.500 2.724) 3.140 2.702 ( 0.901 -2.610 -0.733) 2.857 2.702 ( 0.901 2.610 -0.733) 2.857 2.741 ( 3.828 -3.512 0.817) 5.258 2.741 ( 3.828 3.512 0.817) 5.258 2.910 ( -3.095 -3.183 -3.317) 5.542 2.910 ( -3.095 3.183 -3.317) 5.542 3.017 ( -1.063 -2.656 -5.820) 6.485 3.017 ( -1.063 2.656 -5.820) 6.485 3.119 ( -7.413 -1.852 -2.157) 7.940 3.119 ( -7.413 1.852 -2.157) 7.940 3.217 ( 0.562 -1.070 3.384) 3.593 3.217 ( 0.562 1.070 3.384) 3.593 3.283 ( -0.773 -1.941 0.985) 2.309 3.283 ( -0.773 1.941 0.985) 2.309 3.358 ( -1.697 -4.378 3.849) 6.072 3.358 ( -1.697 4.378 3.849) 6.072 3.462 ( 1.198 -0.854 1.153) 1.869 3.462 ( 1.198 0.854 1.153) 1.869 3.484 ( 2.122 -1.927 1.910) 3.444 3.484 ( 2.122 1.927 1.910) 3.444 3.552 ( -1.821 -3.631 1.321) 4.271 3.552 ( -1.821 3.631 1.321) 4.271 3.618 ( -0.646 -2.578 0.177) 2.664 3.618 ( -0.646 2.578 0.177) 2.664 3.690 ( 1.973 -3.331 -3.160) 4.997 3.690 ( 1.973 3.331 -3.160) 4.997 3.717 ( 1.942 -1.447 2.052) 3.174 3.717 ( 1.942 1.447 2.052) 3.174 3.797 ( -2.708 -4.378 0.720) 5.198 3.797 ( -2.708 4.378 0.720) 5.198 3.936 ( 1.690 -1.485 0.635) 2.338 3.936 ( 1.690 1.485 0.635) 2.338 4.004 ( -1.490 -0.728 -0.631) 1.774 4.004 ( -1.490 0.728 -0.631) 1.774 4.033 ( 0.674 -2.888 0.776) 3.066 4.033 ( 0.674 2.888 0.776) 3.066 4.136 ( -1.119 -5.590 -0.178) 5.703 4.136 ( -1.119 5.590 -0.178) 5.703 4.213 ( 1.608 -2.349 2.984) 4.124 4.213 ( 1.608 2.349 2.984) 4.124 4.272 ( -1.218 -4.084 -0.298) 4.272 4.272 ( -1.218 4.084 -0.298) 4.272 4.307 ( 1.342 -2.945 -0.810) 3.337 4.307 ( 1.342 2.945 -0.810) 3.337 4.427 ( 1.215 -2.647 -3.967) 4.922 4.427 ( 1.215 2.647 -3.967) 4.922 4.485 ( 0.137 -3.204 0.611) 3.265 4.485 ( 0.137 3.204 0.611) 3.265 4.549 ( -1.378 -2.840 -1.984) 3.728 4.549 ( -1.378 2.840 -1.984) 3.728 4.638 ( -0.344 -3.070 0.491) 3.128 4.638 ( -0.344 3.070 0.491) 3.128 4.689 ( 1.286 -2.937 2.380) 3.993 4.689 ( 1.286 2.937 2.380) 3.993 4.752 ( 3.306 -2.650 0.790) 4.310 4.752 ( 3.306 2.650 0.790) 4.310 4.861 ( -0.047 -1.203 0.667) 1.376 4.861 ( -0.047 1.203 0.667) 1.376 4.958 ( 1.047 -0.079 -1.458) 1.797 4.958 ( 1.047 0.079 -1.458) 1.797 5.018 ( -3.332 -2.508 -6.026) 7.328 5.018 ( -3.332 2.508 -6.026) 7.328 5.106 ( 0.350 -1.840 2.339) 2.997 5.106 ( 0.350 1.840 2.339) 2.997 5.224 ( 2.414 -1.320 -0.185) 2.758 5.224 ( 2.414 1.320 -0.185) 2.758 5.333 ( -0.704 -2.479 -1.971) 3.244 5.333 ( -0.704 2.479 -1.971) 3.244 5.381 ( 2.991 -3.230 2.210) 4.926 5.381 ( 2.991 3.230 2.210) 4.926 5.451 ( -0.387 -2.273 -6.247) 6.659 5.451 ( -0.387 2.273 -6.247) 6.659 5.570 ( 1.300 -1.638 0.552) 2.163 5.570 ( 1.300 1.638 0.552) 2.163 5.671 ( -1.778 -0.601 1.657) 2.504 5.671 ( -1.778 0.601 1.657) 2.504 5.743 ( -2.574 -1.702 -1.743) 3.544 5.743 ( -2.574 1.702 -1.743) 3.544 5.809 ( -0.833 -2.014 -0.611) 2.263 5.809 ( -0.833 2.014 -0.611) 2.263 5.880 ( -1.704 -1.204 1.395) 2.510 5.880 ( -1.704 1.204 1.395) 2.510 5.946 ( 1.161 -5.882 1.148) 6.105 5.946 ( 1.161 5.882 1.148) 6.105 6.091 ( -0.244 -1.376 1.159) 1.815 6.091 ( -0.244 1.376 1.159) 1.815 6.117 ( 2.781 -1.716 0.250) 3.277 6.117 ( 2.781 1.716 0.250) 3.277 6.213 ( -3.059 -0.545 3.044) 4.350 6.213 ( -3.059 0.545 3.044) 4.350 6.293 ( -3.122 -1.680 2.195) 4.170 6.293 ( -3.122 1.680 2.195) 4.170 6.370 ( -2.498 -2.038 -0.058) 3.225 6.370 ( -2.498 2.038 -0.058) 3.225 6.537 ( 2.796 -2.343 -2.888) 4.653 6.537 ( 2.796 2.343 -2.888) 4.653 6.586 ( 2.022 -2.339 -3.076) 4.361 6.586 ( 2.022 2.339 -3.076) 4.361 6.743 ( 2.696 -1.443 -2.425) 3.903 6.743 ( 2.696 1.443 -2.425) 3.903 6.873 ( 2.182 -1.865 -0.331) 2.889 6.873 ( 2.182 1.865 -0.331) 2.889 6.940 ( -2.215 -1.998 1.615) 3.392 6.940 ( -2.215 1.998 1.615) 3.392 7.022 ( -0.964 -3.524 -1.766) 4.058 7.022 ( -0.964 3.524 -1.766) 4.058 7.907 ( -1.606 -0.176 -0.353) 1.654 7.907 ( -1.606 0.176 -0.353) 1.654 8.034 ( 3.514 -0.394 1.181) 3.728 8.034 ( 3.514 0.394 1.181) 3.728 8.836 ( -6.548 -0.156 1.402) 6.698 8.836 ( -6.548 0.156 1.402) 6.698 8.980 ( -1.676 -1.946 -0.153) 2.573 8.980 ( -1.676 1.946 -0.153) 2.573 9.484 ( 1.561 -1.890 1.083) 2.680 9.484 ( 1.561 1.890 1.083) 2.680 9.582 ( 5.168 -1.621 1.462) 5.610 9.582 ( 5.168 1.621 1.462) 5.610 9.906 ( -1.759 -0.139 0.169) 1.773 9.906 ( -1.759 0.139 0.169) 1.773 9.989 ( 0.292 -0.228 1.018) 1.083 9.989 ( 0.292 0.228 1.018) 1.083 10.401 ( -2.100 -1.198 -1.438) 2.813 10.401 ( -2.100 1.198 -1.438) 2.813 10.494 ( 1.934 -0.686 2.775) 3.451 10.494 ( 1.934 0.686 2.775) 3.451 10.841 ( -1.693 -1.017 -0.306) 1.998 10.841 ( -1.693 1.017 -0.306) 1.998 10.922 ( 2.325 -2.175 2.714) 4.183 10.922 ( 2.325 2.175 2.714) 4.183 11.119 ( -2.024 -2.381 -0.828) 3.233 11.119 ( -2.024 2.381 -0.828) 3.233 11.224 ( 1.803 -1.049 0.592) 2.168 11.224 ( 1.803 1.049 0.592) 2.168 11.442 ( -1.714 -1.862 -1.563) 2.975 11.442 ( -1.714 1.862 -1.563) 2.975 11.550 ( 2.419 -2.559 -4.026) 5.349 11.550 ( 2.419 2.559 -4.026) 5.349 =================== 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 3/18816 10.0 81.415 56.894 131.606 0.000 1.868 0.000 3/18816 20.0 9.985 7.325 22.020 0.000 -0.626 0.000 3/18816 30.0 3.845 3.007 8.444 0.000 -0.272 0.000 3/18816 40.0 2.206 1.794 4.703 0.000 -0.143 0.000 3/18816 50.0 1.518 1.264 3.153 0.000 -0.089 0.000 3/18816 60.0 1.155 0.976 2.350 0.000 -0.063 0.000 3/18816 70.0 0.936 0.797 1.872 0.000 -0.048 0.000 3/18816 80.0 0.790 0.676 1.559 0.000 -0.040 0.000 3/18816 90.0 0.686 0.590 1.340 0.000 -0.034 0.000 3/18816 100.0 0.608 0.524 1.178 0.000 -0.031 0.000 3/18816 110.0 0.548 0.473 1.053 0.000 -0.028 0.000 3/18816 120.0 0.500 0.432 0.954 0.000 -0.026 0.000 3/18816 130.0 0.461 0.398 0.874 0.000 -0.025 0.000 3/18816 140.0 0.427 0.369 0.807 0.000 -0.023 0.000 3/18816 150.0 0.399 0.345 0.750 0.000 -0.022 0.000 3/18816 160.0 0.374 0.324 0.702 0.000 -0.021 0.000 3/18816 170.0 0.353 0.305 0.659 0.000 -0.020 0.000 3/18816 180.0 0.334 0.289 0.622 0.000 -0.020 0.000 3/18816 190.0 0.317 0.274 0.589 0.000 -0.019 0.000 3/18816 200.0 0.302 0.261 0.559 0.000 -0.018 0.000 3/18816 210.0 0.288 0.249 0.533 0.000 -0.018 0.000 3/18816 220.0 0.275 0.238 0.509 0.000 -0.017 0.000 3/18816 230.0 0.264 0.228 0.487 0.000 -0.016 0.000 3/18816 240.0 0.253 0.219 0.467 0.000 -0.016 0.000 3/18816 250.0 0.243 0.211 0.448 0.000 -0.015 0.000 3/18816 260.0 0.234 0.203 0.431 0.000 -0.015 0.000 3/18816 270.0 0.226 0.196 0.415 0.000 -0.014 0.000 3/18816 280.0 0.218 0.189 0.401 0.000 -0.014 0.000 3/18816 290.0 0.211 0.183 0.387 0.000 -0.014 0.000 3/18816 300.0 0.204 0.177 0.374 0.000 -0.013 0.000 3/18816 310.0 0.198 0.172 0.363 0.000 -0.013 0.000 3/18816 320.0 0.192 0.166 0.351 0.000 -0.013 0.000 3/18816 330.0 0.186 0.162 0.341 0.000 -0.012 0.000 3/18816 340.0 0.181 0.157 0.331 0.000 -0.012 0.000 3/18816 350.0 0.176 0.153 0.322 0.000 -0.012 0.000 3/18816 360.0 0.171 0.149 0.313 0.000 -0.011 0.000 3/18816 370.0 0.167 0.145 0.305 0.000 -0.011 0.000 3/18816 380.0 0.162 0.141 0.297 0.000 -0.011 0.000 3/18816 390.0 0.158 0.138 0.289 0.000 -0.011 0.000 3/18816 400.0 0.154 0.134 0.282 0.000 -0.010 0.000 3/18816 410.0 0.151 0.131 0.275 0.000 -0.010 0.000 3/18816 420.0 0.147 0.128 0.269 0.000 -0.010 0.000 3/18816 430.0 0.144 0.125 0.263 0.000 -0.010 0.000 3/18816 440.0 0.141 0.122 0.257 0.000 -0.010 0.000 3/18816 450.0 0.138 0.120 0.251 0.000 -0.009 0.000 3/18816 460.0 0.135 0.117 0.246 0.000 -0.009 0.000 3/18816 470.0 0.132 0.115 0.241 0.000 -0.009 0.000 3/18816 480.0 0.129 0.112 0.236 0.000 -0.009 0.000 3/18816 490.0 0.127 0.110 0.231 0.000 -0.009 0.000 3/18816 500.0 0.124 0.108 0.226 0.000 -0.008 0.000 3/18816 510.0 0.122 0.106 0.222 0.000 -0.008 0.000 3/18816 520.0 0.119 0.104 0.218 0.000 -0.008 0.000 3/18816 530.0 0.117 0.102 0.214 0.000 -0.008 0.000 3/18816 540.0 0.115 0.100 0.210 0.000 -0.008 0.000 3/18816 550.0 0.113 0.098 0.206 0.000 -0.008 0.000 3/18816 560.0 0.111 0.097 0.202 0.000 -0.008 0.000 3/18816 570.0 0.109 0.095 0.199 0.000 -0.008 0.000 3/18816 580.0 0.107 0.093 0.195 0.000 -0.007 0.000 3/18816 590.0 0.105 0.092 0.192 0.000 -0.007 0.000 3/18816 600.0 0.104 0.090 0.189 0.000 -0.007 0.000 3/18816 610.0 0.102 0.089 0.186 0.000 -0.007 0.000 3/18816 620.0 0.100 0.087 0.183 0.000 -0.007 0.000 3/18816 630.0 0.099 0.086 0.180 0.000 -0.007 0.000 3/18816 640.0 0.097 0.085 0.177 0.000 -0.007 0.000 3/18816 650.0 0.096 0.083 0.175 0.000 -0.007 0.000 3/18816 660.0 0.094 0.082 0.172 0.000 -0.007 0.000 3/18816 670.0 0.093 0.081 0.169 0.000 -0.006 0.000 3/18816 680.0 0.092 0.080 0.167 0.000 -0.006 0.000 3/18816 690.0 0.090 0.079 0.164 0.000 -0.006 0.000 3/18816 700.0 0.089 0.078 0.162 0.000 -0.006 0.000 3/18816 710.0 0.088 0.076 0.160 0.000 -0.006 0.000 3/18816 720.0 0.087 0.075 0.158 0.000 -0.006 0.000 3/18816 730.0 0.085 0.074 0.156 0.000 -0.006 0.000 3/18816 740.0 0.084 0.073 0.153 0.000 -0.006 0.000 3/18816 750.0 0.083 0.072 0.151 0.000 -0.006 0.000 3/18816 760.0 0.082 0.072 0.149 0.000 -0.006 0.000 3/18816 770.0 0.081 0.071 0.148 0.000 -0.006 0.000 3/18816 780.0 0.080 0.070 0.146 0.000 -0.006 0.000 3/18816 790.0 0.079 0.069 0.144 0.000 -0.006 0.000 3/18816 800.0 0.078 0.068 0.142 0.000 -0.005 0.000 3/18816 810.0 0.077 0.067 0.140 0.000 -0.005 0.000 3/18816 820.0 0.076 0.066 0.139 0.000 -0.005 0.000 3/18816 830.0 0.075 0.066 0.137 0.000 -0.005 0.000 3/18816 840.0 0.074 0.065 0.135 0.000 -0.005 0.000 3/18816 850.0 0.074 0.064 0.134 0.000 -0.005 0.000 3/18816 860.0 0.073 0.063 0.132 0.000 -0.005 0.000 3/18816 870.0 0.072 0.063 0.131 0.000 -0.005 0.000 3/18816 880.0 0.071 0.062 0.129 0.000 -0.005 0.000 3/18816 890.0 0.070 0.061 0.128 0.000 -0.005 0.000 3/18816 900.0 0.069 0.060 0.126 0.000 -0.005 0.000 3/18816 910.0 0.069 0.060 0.125 0.000 -0.005 0.000 3/18816 920.0 0.068 0.059 0.124 0.000 -0.005 0.000 3/18816 930.0 0.067 0.059 0.122 0.000 -0.005 0.000 3/18816 940.0 0.067 0.058 0.121 0.000 -0.005 0.000 3/18816 950.0 0.066 0.057 0.120 0.000 -0.005 0.000 3/18816 960.0 0.065 0.057 0.118 0.000 -0.005 0.000 3/18816 970.0 0.064 0.056 0.117 0.000 -0.005 0.000 3/18816 980.0 0.064 0.056 0.116 0.000 -0.004 0.000 3/18816 990.0 0.063 0.055 0.115 0.000 -0.004 0.000 3/18816 1000.0 0.063 0.054 0.114 0.000 -0.004 0.000 3/18816 Thermal conductivity related properties were written into "kappa-m447.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:20:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|