----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:18:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] 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 13.389650071077289 0.000000000000000 0.000000000000000 b 0.000000000000000 8.862137149999999 0.000000000000000 c -3.319014127877290 0.000000000000000 12.896760398776063 Atomic positions (fractional): *1 Tl 0.04965189552126 0.84868160775038 0.31246129146093 204.383 *2 Tl 0.35272916003731 0.87930763814451 0.12961807137624 204.383 3 Tl 0.95034810447874 0.15131839224962 0.68753870853907 204.383 *4 Tl 0.20384993725853 0.13484311505713 0.47977559187644 204.383 5 Tl 0.79615006274147 0.63484311505713 0.02022440812356 204.383 6 Tl 0.95034810447874 0.34868160775038 0.18753870853907 204.383 7 Tl 0.64727083996269 0.37930763814451 0.37038192862376 204.383 8 Tl 0.20384993725853 0.36515688494287 0.97977559187644 204.383 9 Tl 0.35272916003731 0.62069236185549 0.62961807137624 204.383 10 Tl 0.04965189552126 0.65131839224962 0.81246129146093 204.383 11 Tl 0.64727083996269 0.12069236185549 0.87038192862376 204.383 12 Tl 0.79615006274147 0.86515688494287 0.52022440812356 204.383 *13 Bi 0.26791707783183 0.00435549814841 0.79760387178313 208.980 14 Bi 0.73208292216817 0.50435549814841 0.70239612821687 208.980 15 Bi 0.73208292216817 0.99564450185159 0.20239612821687 208.980 16 Bi 0.26791707783183 0.49564450185159 0.29760387178313 208.980 *17 I 0.89528591367364 0.14932796874158 0.38617914687361 126.904 *18 I 0.40971539594876 0.17186345566826 0.97197136542602 126.904 *19 I 0.43270403264631 0.51200133964901 0.17845358515632 126.904 *20 I 0.81346525268362 0.81714801847728 0.79353423638002 126.904 21 I 0.59028460405125 0.82813654433174 0.02802863457398 126.904 22 I 0.43270403264631 0.98799866035099 0.67845358515632 126.904 23 I 0.18653474731638 0.18285198152272 0.20646576361998 126.904 24 I 0.89528591367364 0.35067203125842 0.88617914687361 126.904 *25 I 0.10093464974677 0.00888968546784 0.91876327011047 126.904 26 I 0.81346525268362 0.68285198152272 0.29353423638003 126.904 27 I 0.59028460405125 0.67186345566826 0.52802863457398 126.904 28 I 0.10093464974677 0.49111031453216 0.41876327011047 126.904 *29 I 0.68168460780713 0.18791698385689 0.61404804864354 126.904 30 I 0.10471408632636 0.64932796874158 0.11382085312639 126.904 31 I 0.10471408632636 0.85067203125842 0.61382085312639 126.904 32 I 0.56729596735369 0.48799866035099 0.82154641484368 126.904 33 I 0.89906535025323 0.50888968546784 0.58123672988953 126.904 34 I 0.40971539594876 0.32813654433174 0.47197136542601 126.904 35 I 0.56729596735369 0.01200133964901 0.32154641484368 126.904 36 I 0.89906535025323 0.99111031453216 0.08123672988953 126.904 37 I 0.68168460780713 0.31208301614311 0.11404804864354 126.904 38 I 0.31831539219287 0.81208301614311 0.38595195135646 126.904 39 I 0.31831539219287 0.68791698385689 0.88595195135646 126.904 40 I 0.18653474731638 0.31714801847728 0.70646576361998 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.389650071077289 0.000000000000000 0.000000000000000 b 0.000000000000000 8.862137149999999 0.000000000000000 c -3.319014127877290 0.000000000000000 12.896760398776063 Atomic positions (fractional): *1 Tl 0.04965189552126 0.84868160775038 0.31246129146093 204.383 > 1 *2 Tl 0.35272916003731 0.87930763814451 0.12961807137624 204.383 > 2 3 Tl 0.95034810447874 0.15131839224962 0.68753870853907 204.383 > 3 *4 Tl 0.20384993725853 0.13484311505713 0.47977559187644 204.383 > 4 5 Tl 0.79615006274147 0.63484311505713 0.02022440812356 204.383 > 5 6 Tl 0.95034810447874 0.34868160775038 0.18753870853907 204.383 > 6 7 Tl 0.64727083996269 0.37930763814451 0.37038192862376 204.383 > 7 8 Tl 0.20384993725853 0.36515688494287 0.97977559187644 204.383 > 8 9 Tl 0.35272916003731 0.62069236185549 0.62961807137624 204.383 > 9 10 Tl 0.04965189552126 0.65131839224962 0.81246129146093 204.383 > 10 11 Tl 0.64727083996269 0.12069236185549 0.87038192862376 204.383 > 11 12 Tl 0.79615006274147 0.86515688494287 0.52022440812356 204.383 > 12 *13 Bi 0.26791707783183 0.00435549814841 0.79760387178313 208.980 > 13 14 Bi 0.73208292216817 0.50435549814841 0.70239612821687 208.980 > 14 15 Bi 0.73208292216817 0.99564450185159 0.20239612821687 208.980 > 15 16 Bi 0.26791707783183 0.49564450185159 0.29760387178313 208.980 > 16 *17 I 0.89528591367364 0.14932796874158 0.38617914687361 126.904 > 17 *18 I 0.40971539594876 0.17186345566826 0.97197136542602 126.904 > 18 *19 I 0.43270403264631 0.51200133964901 0.17845358515632 126.904 > 19 *20 I 0.81346525268362 0.81714801847728 0.79353423638002 126.904 > 20 21 I 0.59028460405125 0.82813654433174 0.02802863457398 126.904 > 21 22 I 0.43270403264631 0.98799866035099 0.67845358515632 126.904 > 22 23 I 0.18653474731638 0.18285198152272 0.20646576361998 126.904 > 23 24 I 0.89528591367364 0.35067203125842 0.88617914687361 126.904 > 24 *25 I 0.10093464974677 0.00888968546784 0.91876327011047 126.904 > 25 26 I 0.81346525268362 0.68285198152272 0.29353423638003 126.904 > 26 27 I 0.59028460405125 0.67186345566826 0.52802863457398 126.904 > 27 28 I 0.10093464974677 0.49111031453216 0.41876327011047 126.904 > 28 *29 I 0.68168460780713 0.18791698385689 0.61404804864354 126.904 > 29 30 I 0.10471408632636 0.64932796874158 0.11382085312639 126.904 > 30 31 I 0.10471408632636 0.85067203125842 0.61382085312639 126.904 > 31 32 I 0.56729596735369 0.48799866035099 0.82154641484368 126.904 > 32 33 I 0.89906535025323 0.50888968546784 0.58123672988953 126.904 > 33 34 I 0.40971539594876 0.32813654433174 0.47197136542601 126.904 > 34 35 I 0.56729596735369 0.01200133964901 0.32154641484368 126.904 > 35 36 I 0.89906535025323 0.99111031453216 0.08123672988953 126.904 > 36 37 I 0.68168460780713 0.31208301614311 0.11404804864354 126.904 > 37 38 I 0.31831539219287 0.81208301614311 0.38595195135646 126.904 > 38 39 I 0.31831539219287 0.68791698385689 0.88595195135646 126.904 > 39 40 I 0.18653474731638 0.31714801847728 0.70646576361998 126.904 > 40 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.389650071077289 0.000000000000000 0.000000000000000 b 0.000000000000000 17.724274299999998 0.000000000000000 c -3.319014127877290 0.000000000000000 12.896760398776063 Atomic positions (fractional): *1 Tl 0.04965189552126 0.42434080387519 0.31246129146093 204.383 > 1 2 Tl 0.04965189552126 0.92434080387519 0.31246129146093 204.383 > 1 *3 Tl 0.35272916003731 0.43965381907225 0.12961807137624 204.383 > 2 4 Tl 0.35272916003731 0.93965381907225 0.12961807137624 204.383 > 2 5 Tl 0.95034810447874 0.07565919612481 0.68753870853907 204.383 > 3 6 Tl 0.95034810447874 0.57565919612481 0.68753870853907 204.383 > 3 *7 Tl 0.20384993725853 0.06742155752857 0.47977559187644 204.383 > 4 8 Tl 0.20384993725853 0.56742155752857 0.47977559187644 204.383 > 4 9 Tl 0.79615006274147 0.31742155752857 0.02022440812356 204.383 > 5 10 Tl 0.79615006274147 0.81742155752857 0.02022440812356 204.383 > 5 11 Tl 0.95034810447874 0.17434080387519 0.18753870853907 204.383 > 6 12 Tl 0.95034810447874 0.67434080387519 0.18753870853907 204.383 > 6 13 Tl 0.64727083996269 0.18965381907225 0.37038192862376 204.383 > 7 14 Tl 0.64727083996269 0.68965381907225 0.37038192862376 204.383 > 7 15 Tl 0.20384993725853 0.18257844247143 0.97977559187644 204.383 > 8 16 Tl 0.20384993725853 0.68257844247143 0.97977559187644 204.383 > 8 17 Tl 0.35272916003731 0.31034618092775 0.62961807137624 204.383 > 9 18 Tl 0.35272916003731 0.81034618092775 0.62961807137624 204.383 > 9 19 Tl 0.04965189552126 0.32565919612481 0.81246129146093 204.383 > 10 20 Tl 0.04965189552126 0.82565919612481 0.81246129146093 204.383 > 10 21 Tl 0.64727083996269 0.06034618092775 0.87038192862376 204.383 > 11 22 Tl 0.64727083996269 0.56034618092775 0.87038192862376 204.383 > 11 23 Tl 0.79615006274147 0.43257844247143 0.52022440812356 204.383 > 12 24 Tl 0.79615006274147 0.93257844247143 0.52022440812356 204.383 > 12 *25 Bi 0.26791707783183 0.00217774907421 0.79760387178313 208.980 > 13 26 Bi 0.26791707783183 0.50217774907421 0.79760387178313 208.980 > 13 27 Bi 0.73208292216817 0.25217774907421 0.70239612821687 208.980 > 14 28 Bi 0.73208292216817 0.75217774907421 0.70239612821687 208.980 > 14 29 Bi 0.73208292216817 0.49782225092579 0.20239612821687 208.980 > 15 30 Bi 0.73208292216817 0.99782225092579 0.20239612821687 208.980 > 15 31 Bi 0.26791707783183 0.24782225092579 0.29760387178313 208.980 > 16 32 Bi 0.26791707783183 0.74782225092579 0.29760387178313 208.980 > 16 *33 I 0.89528591367364 0.07466398437079 0.38617914687361 126.904 > 17 34 I 0.89528591367364 0.57466398437079 0.38617914687361 126.904 > 17 *35 I 0.40971539594876 0.08593172783413 0.97197136542602 126.904 > 18 36 I 0.40971539594876 0.58593172783413 0.97197136542602 126.904 > 18 *37 I 0.43270403264631 0.25600066982451 0.17845358515632 126.904 > 19 38 I 0.43270403264631 0.75600066982451 0.17845358515632 126.904 > 19 *39 I 0.81346525268362 0.40857400923864 0.79353423638002 126.904 > 20 40 I 0.81346525268362 0.90857400923864 0.79353423638002 126.904 > 20 41 I 0.59028460405125 0.41406827216587 0.02802863457398 126.904 > 21 42 I 0.59028460405125 0.91406827216587 0.02802863457398 126.904 > 21 43 I 0.43270403264631 0.49399933017549 0.67845358515632 126.904 > 22 44 I 0.43270403264631 0.99399933017549 0.67845358515632 126.904 > 22 45 I 0.18653474731638 0.09142599076136 0.20646576361998 126.904 > 23 46 I 0.18653474731638 0.59142599076136 0.20646576361998 126.904 > 23 47 I 0.89528591367364 0.17533601562921 0.88617914687361 126.904 > 24 48 I 0.89528591367364 0.67533601562921 0.88617914687361 126.904 > 24 *49 I 0.10093464974677 0.00444484273392 0.91876327011047 126.904 > 25 50 I 0.10093464974677 0.50444484273392 0.91876327011047 126.904 > 25 51 I 0.81346525268362 0.34142599076136 0.29353423638003 126.904 > 26 52 I 0.81346525268362 0.84142599076136 0.29353423638003 126.904 > 26 53 I 0.59028460405125 0.33593172783413 0.52802863457398 126.904 > 27 54 I 0.59028460405125 0.83593172783413 0.52802863457398 126.904 > 27 55 I 0.10093464974677 0.24555515726608 0.41876327011047 126.904 > 28 56 I 0.10093464974677 0.74555515726608 0.41876327011047 126.904 > 28 *57 I 0.68168460780713 0.09395849192844 0.61404804864354 126.904 > 29 58 I 0.68168460780713 0.59395849192844 0.61404804864354 126.904 > 29 59 I 0.10471408632636 0.32466398437079 0.11382085312639 126.904 > 30 60 I 0.10471408632636 0.82466398437079 0.11382085312639 126.904 > 30 61 I 0.10471408632636 0.42533601562921 0.61382085312639 126.904 > 31 62 I 0.10471408632636 0.92533601562921 0.61382085312639 126.904 > 31 63 I 0.56729596735369 0.24399933017549 0.82154641484368 126.904 > 32 64 I 0.56729596735369 0.74399933017549 0.82154641484368 126.904 > 32 65 I 0.89906535025323 0.25444484273392 0.58123672988953 126.904 > 33 66 I 0.89906535025323 0.75444484273392 0.58123672988953 126.904 > 33 67 I 0.40971539594876 0.16406827216587 0.47197136542601 126.904 > 34 68 I 0.40971539594876 0.66406827216587 0.47197136542601 126.904 > 34 69 I 0.56729596735369 0.00600066982451 0.32154641484368 126.904 > 35 70 I 0.56729596735369 0.50600066982451 0.32154641484368 126.904 > 35 71 I 0.89906535025323 0.49555515726608 0.08123672988953 126.904 > 36 72 I 0.89906535025323 0.99555515726608 0.08123672988953 126.904 > 36 73 I 0.68168460780713 0.15604150807156 0.11404804864354 126.904 > 37 74 I 0.68168460780713 0.65604150807156 0.11404804864354 126.904 > 37 75 I 0.31831539219287 0.40604150807156 0.38595195135646 126.904 > 38 76 I 0.31831539219287 0.90604150807156 0.38595195135646 126.904 > 38 77 I 0.31831539219287 0.34395849192844 0.88595195135646 126.904 > 39 78 I 0.31831539219287 0.84395849192844 0.88595195135646 126.904 > 39 79 I 0.18653474731638 0.15857400923864 0.70646576361998 126.904 > 40 80 I 0.18653474731638 0.65857400923864 0.70646576361998 126.904 > 40 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.0863806 0.0000000 -0.0522302 0.0000000 7.0124267 0.0000000 -0.0522312 0.0000000 7.1316073 -------------------------- Born effective charges -------------------------- 1 Tl 2.4311366 -0.5608369 0.2836244 -0.5706906 2.0671900 -0.1097394 0.2188239 -0.1155039 1.7821646 2 Tl 1.9829749 0.2657928 0.0192545 0.1155935 2.0569771 -0.2882972 -0.1088010 -0.3672278 2.3443225 3 Tl 2.4311366 -0.5608369 0.2836244 -0.5706906 2.0671900 -0.1097394 0.2188239 -0.1155039 1.7821646 4 Tl 1.7324113 0.1944107 -0.3645341 0.2759859 2.4193702 -0.3485389 -0.3516465 -0.4293842 2.2897332 5 Tl 1.7324113 -0.1944107 -0.3645341 -0.2759859 2.4193702 0.3485389 -0.3516465 0.4293842 2.2897332 6 Tl 2.4311366 0.5608369 0.2836244 0.5706906 2.0671900 0.1097394 0.2188239 0.1155039 1.7821646 7 Tl 1.9829749 -0.2657928 0.0192545 -0.1155935 2.0569771 0.2882972 -0.1088010 0.3672278 2.3443225 8 Tl 1.7324113 -0.1944107 -0.3645341 -0.2759859 2.4193702 0.3485389 -0.3516465 0.4293842 2.2897332 9 Tl 1.9829749 -0.2657928 0.0192545 -0.1155935 2.0569771 0.2882972 -0.1088010 0.3672278 2.3443225 10 Tl 2.4311366 0.5608369 0.2836244 0.5706906 2.0671900 0.1097394 0.2188239 0.1155039 1.7821646 11 Tl 1.9829749 0.2657928 0.0192545 0.1155935 2.0569771 -0.2882972 -0.1088010 -0.3672278 2.3443225 12 Tl 1.7324113 0.1944107 -0.3645341 0.2759859 2.4193702 -0.3485389 -0.3516465 -0.4293842 2.2897332 13 Bi 4.4137670 -0.0566595 -0.1790609 -0.2212358 4.3894806 0.0281881 -0.0892856 0.0169210 4.2791511 14 Bi 4.4137670 0.0566595 -0.1790609 0.2212358 4.3894806 -0.0281881 -0.0892856 -0.0169210 4.2791511 15 Bi 4.4137670 -0.0566595 -0.1790609 -0.2212358 4.3894806 0.0281881 -0.0892856 0.0169210 4.2791511 16 Bi 4.4137670 0.0566595 -0.1790609 0.2212358 4.3894806 -0.0281881 -0.0892856 -0.0169210 4.2791511 17 I -1.8437706 -0.2782034 -0.2531609 -0.3989733 -1.6821471 -0.0971106 -0.3524649 -0.0670225 -2.4280872 18 I -1.5696246 -0.0743827 -0.2903434 0.1305248 -1.4130531 -0.3825439 -0.1620755 -0.3791013 -1.6442009 19 I -2.3138466 -0.0212957 0.4180451 0.0521601 -1.1984475 0.2448431 0.3698782 0.2647792 -1.5954758 20 I -1.3444943 -0.1689221 0.1755010 -0.2776410 -2.4114413 -0.2328185 0.1847788 -0.2710792 -1.7453387 21 I -1.5696246 -0.0743827 -0.2903434 0.1305248 -1.4130531 -0.3825439 -0.1620755 -0.3791013 -1.6442009 22 I -2.3138466 0.0212957 0.4180451 -0.0521601 -1.1984475 -0.2448431 0.3698782 -0.2647792 -1.5954758 23 I -1.3444943 -0.1689221 0.1755010 -0.2776410 -2.4114413 -0.2328185 0.1847788 -0.2710792 -1.7453387 24 I -1.8437706 0.2782034 -0.2531609 0.3989733 -1.6821471 0.0971106 -0.3524649 0.0670225 -2.4280872 25 I -2.1558824 -0.0372801 0.2770984 0.0091226 -1.7744180 -0.1088068 0.3174558 -0.1685955 -1.6074587 26 I -1.3444943 0.1689221 0.1755010 0.2776410 -2.4114413 0.2328185 0.1847788 0.2710792 -1.7453387 27 I -1.5696246 0.0743827 -0.2903434 -0.1305248 -1.4130531 0.3825439 -0.1620755 0.3791013 -1.6442009 28 I -2.1558824 0.0372801 0.2770984 -0.0091226 -1.7744180 0.1088068 0.3174558 0.1685955 -1.6074587 29 I -1.3326713 -0.1521451 -0.0864240 0.0900638 -2.4535109 -0.3941110 -0.0266633 -0.4320918 -1.6748102 30 I -1.8437706 0.2782034 -0.2531609 0.3989733 -1.6821471 0.0971106 -0.3524649 0.0670225 -2.4280872 31 I -1.8437706 -0.2782034 -0.2531609 -0.3989733 -1.6821471 -0.0971106 -0.3524649 -0.0670225 -2.4280872 32 I -2.3138466 -0.0212957 0.4180451 0.0521601 -1.1984475 0.2448431 0.3698782 0.2647792 -1.5954758 33 I -2.1558824 0.0372801 0.2770984 -0.0091226 -1.7744180 0.1088068 0.3174558 0.1685955 -1.6074587 34 I -1.5696246 0.0743827 -0.2903434 -0.1305248 -1.4130531 0.3825439 -0.1620755 0.3791013 -1.6442009 35 I -2.3138466 0.0212957 0.4180451 -0.0521601 -1.1984475 -0.2448431 0.3698782 -0.2647792 -1.5954758 36 I -2.1558824 -0.0372801 0.2770984 0.0091226 -1.7744180 -0.1088068 0.3174558 -0.1685955 -1.6074587 37 I -1.3326713 0.1521451 -0.0864240 -0.0900638 -2.4535109 0.3941110 -0.0266633 0.4320918 -1.6748102 38 I -1.3326713 -0.1521451 -0.0864240 0.0900638 -2.4535109 -0.3941110 -0.0266633 -0.4320918 -1.6748102 39 I -1.3326713 0.1521451 -0.0864240 -0.0900638 -2.4535109 0.3941110 -0.0266633 0.4320918 -1.6748102 40 I -1.3444943 0.1689221 0.1755010 0.2776410 -2.4114413 0.2328185 0.1847788 0.2710792 -1.7453387 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.703 Solver_block: 200 / 1200 - Time: 0.606 Solver_block: 300 / 1200 - Time: 0.604 Solver_block: 400 / 1200 - Time: 0.603 Solver_block: 500 / 1200 - Time: 0.600 Solver_block: 600 / 1200 - Time: 0.608 Solver_block: 700 / 1200 - Time: 0.603 Solver_block: 800 / 1200 - Time: 0.601 Solver_block: 900 / 1200 - Time: 0.603 Solver_block: 1000 / 1200 - Time: 0.597 Solver_block: 1100 / 1200 - Time: 0.600 Solver_block: 1200 / 1200 - Time: 0.606 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.508 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 240/240 Permutation basis: 14520/14520 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3690 Number of blocks in projector: 3690 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 282 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 287 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 430 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 430 Use standard eigh solver. Tree of FC basis block matrices: - (3690, 3601), data: False |-- (430, 420), data: True |-- (430, 420), data: True |-- (430, 420), data: True |-- (800, 781), data: False |-- (800, 13), data: (800, 32) @ (32, 13) |-- (300, 287), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 18), data: (800, 38) @ (38, 18) |-- (300, 282), data: True |-- (500, 480), data: False |-- (500, 20), data: (500, 40) @ (40, 20) |-- (250, 230), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 19:18:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:18:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.389650071077289 0.000000000000000 0.000000000000000 b 0.000000000000000 8.862137149999999 0.000000000000000 c -3.319014127877290 0.000000000000000 12.896760398776063 Atomic positions (fractional): 1 Tl 0.04965189552126 0.84868160775038 0.31246129146093 204.383 2 Tl 0.35272916003731 0.87930763814451 0.12961807137624 204.383 3 Tl 0.95034810447874 0.15131839224962 0.68753870853907 204.383 4 Tl 0.20384993725853 0.13484311505713 0.47977559187644 204.383 5 Tl 0.79615006274147 0.63484311505713 0.02022440812356 204.383 6 Tl 0.95034810447874 0.34868160775038 0.18753870853907 204.383 7 Tl 0.64727083996269 0.37930763814451 0.37038192862376 204.383 8 Tl 0.20384993725853 0.36515688494287 0.97977559187644 204.383 9 Tl 0.35272916003731 0.62069236185549 0.62961807137624 204.383 10 Tl 0.04965189552126 0.65131839224962 0.81246129146093 204.383 11 Tl 0.64727083996269 0.12069236185549 0.87038192862376 204.383 12 Tl 0.79615006274147 0.86515688494287 0.52022440812356 204.383 13 Bi 0.26791707783183 0.00435549814841 0.79760387178313 208.980 14 Bi 0.73208292216817 0.50435549814841 0.70239612821687 208.980 15 Bi 0.73208292216817 0.99564450185159 0.20239612821687 208.980 16 Bi 0.26791707783183 0.49564450185159 0.29760387178313 208.980 17 I 0.89528591367364 0.14932796874158 0.38617914687361 126.904 18 I 0.40971539594876 0.17186345566826 0.97197136542602 126.904 19 I 0.43270403264631 0.51200133964901 0.17845358515632 126.904 20 I 0.81346525268362 0.81714801847728 0.79353423638002 126.904 21 I 0.59028460405125 0.82813654433174 0.02802863457398 126.904 22 I 0.43270403264631 0.98799866035099 0.67845358515632 126.904 23 I 0.18653474731638 0.18285198152272 0.20646576361998 126.904 24 I 0.89528591367364 0.35067203125842 0.88617914687361 126.904 25 I 0.10093464974677 0.00888968546784 0.91876327011047 126.904 26 I 0.81346525268362 0.68285198152272 0.29353423638003 126.904 27 I 0.59028460405125 0.67186345566826 0.52802863457398 126.904 28 I 0.10093464974677 0.49111031453216 0.41876327011047 126.904 29 I 0.68168460780713 0.18791698385689 0.61404804864354 126.904 30 I 0.10471408632636 0.64932796874158 0.11382085312639 126.904 31 I 0.10471408632636 0.85067203125842 0.61382085312639 126.904 32 I 0.56729596735369 0.48799866035099 0.82154641484368 126.904 33 I 0.89906535025323 0.50888968546784 0.58123672988953 126.904 34 I 0.40971539594876 0.32813654433174 0.47197136542601 126.904 35 I 0.56729596735369 0.01200133964901 0.32154641484368 126.904 36 I 0.89906535025323 0.99111031453216 0.08123672988953 126.904 37 I 0.68168460780713 0.31208301614311 0.11404804864354 126.904 38 I 0.31831539219287 0.81208301614311 0.38595195135646 126.904 39 I 0.31831539219287 0.68791698385689 0.88595195135646 126.904 40 I 0.18653474731638 0.31714801847728 0.70646576361998 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.389650071077289 0.000000000000000 0.000000000000000 b 0.000000000000000 17.724274299999998 0.000000000000000 c -3.319014127877290 0.000000000000000 12.896760398776063 Atomic positions (fractional): 1 Tl 0.04965189552126 0.42434080387519 0.31246129146093 204.383 > 1 2 Tl 0.04965189552126 0.92434080387519 0.31246129146093 204.383 > 1 3 Tl 0.35272916003731 0.43965381907225 0.12961807137624 204.383 > 3 4 Tl 0.35272916003731 0.93965381907225 0.12961807137624 204.383 > 3 5 Tl 0.95034810447874 0.07565919612481 0.68753870853907 204.383 > 5 6 Tl 0.95034810447874 0.57565919612481 0.68753870853907 204.383 > 5 7 Tl 0.20384993725853 0.06742155752857 0.47977559187644 204.383 > 7 8 Tl 0.20384993725853 0.56742155752857 0.47977559187644 204.383 > 7 9 Tl 0.79615006274147 0.31742155752857 0.02022440812356 204.383 > 9 10 Tl 0.79615006274147 0.81742155752857 0.02022440812356 204.383 > 9 11 Tl 0.95034810447874 0.17434080387519 0.18753870853907 204.383 > 11 12 Tl 0.95034810447874 0.67434080387519 0.18753870853907 204.383 > 11 13 Tl 0.64727083996269 0.18965381907225 0.37038192862376 204.383 > 13 14 Tl 0.64727083996269 0.68965381907225 0.37038192862376 204.383 > 13 15 Tl 0.20384993725853 0.18257844247143 0.97977559187644 204.383 > 15 16 Tl 0.20384993725853 0.68257844247143 0.97977559187644 204.383 > 15 17 Tl 0.35272916003731 0.31034618092775 0.62961807137624 204.383 > 17 18 Tl 0.35272916003731 0.81034618092775 0.62961807137624 204.383 > 17 19 Tl 0.04965189552126 0.32565919612481 0.81246129146093 204.383 > 19 20 Tl 0.04965189552126 0.82565919612481 0.81246129146093 204.383 > 19 21 Tl 0.64727083996269 0.06034618092775 0.87038192862376 204.383 > 21 22 Tl 0.64727083996269 0.56034618092775 0.87038192862376 204.383 > 21 23 Tl 0.79615006274147 0.43257844247143 0.52022440812356 204.383 > 23 24 Tl 0.79615006274147 0.93257844247143 0.52022440812356 204.383 > 23 25 Bi 0.26791707783183 0.00217774907421 0.79760387178313 208.980 > 25 26 Bi 0.26791707783183 0.50217774907421 0.79760387178313 208.980 > 25 27 Bi 0.73208292216817 0.25217774907421 0.70239612821687 208.980 > 27 28 Bi 0.73208292216817 0.75217774907421 0.70239612821687 208.980 > 27 29 Bi 0.73208292216817 0.49782225092579 0.20239612821687 208.980 > 29 30 Bi 0.73208292216817 0.99782225092579 0.20239612821687 208.980 > 29 31 Bi 0.26791707783183 0.24782225092579 0.29760387178313 208.980 > 31 32 Bi 0.26791707783183 0.74782225092579 0.29760387178313 208.980 > 31 33 I 0.89528591367364 0.07466398437079 0.38617914687361 126.904 > 33 34 I 0.89528591367364 0.57466398437079 0.38617914687361 126.904 > 33 35 I 0.40971539594876 0.08593172783413 0.97197136542602 126.904 > 35 36 I 0.40971539594876 0.58593172783413 0.97197136542602 126.904 > 35 37 I 0.43270403264631 0.25600066982451 0.17845358515632 126.904 > 37 38 I 0.43270403264631 0.75600066982451 0.17845358515632 126.904 > 37 39 I 0.81346525268362 0.40857400923864 0.79353423638002 126.904 > 39 40 I 0.81346525268362 0.90857400923864 0.79353423638002 126.904 > 39 41 I 0.59028460405125 0.41406827216587 0.02802863457398 126.904 > 41 42 I 0.59028460405125 0.91406827216587 0.02802863457398 126.904 > 41 43 I 0.43270403264631 0.49399933017549 0.67845358515632 126.904 > 43 44 I 0.43270403264631 0.99399933017549 0.67845358515632 126.904 > 43 45 I 0.18653474731638 0.09142599076136 0.20646576361998 126.904 > 45 46 I 0.18653474731638 0.59142599076136 0.20646576361998 126.904 > 45 47 I 0.89528591367364 0.17533601562921 0.88617914687361 126.904 > 47 48 I 0.89528591367364 0.67533601562921 0.88617914687361 126.904 > 47 49 I 0.10093464974677 0.00444484273392 0.91876327011047 126.904 > 49 50 I 0.10093464974677 0.50444484273392 0.91876327011047 126.904 > 49 51 I 0.81346525268362 0.34142599076136 0.29353423638003 126.904 > 51 52 I 0.81346525268362 0.84142599076136 0.29353423638003 126.904 > 51 53 I 0.59028460405125 0.33593172783413 0.52802863457398 126.904 > 53 54 I 0.59028460405125 0.83593172783413 0.52802863457398 126.904 > 53 55 I 0.10093464974677 0.24555515726608 0.41876327011047 126.904 > 55 56 I 0.10093464974677 0.74555515726608 0.41876327011047 126.904 > 55 57 I 0.68168460780713 0.09395849192844 0.61404804864354 126.904 > 57 58 I 0.68168460780713 0.59395849192844 0.61404804864354 126.904 > 57 59 I 0.10471408632636 0.32466398437079 0.11382085312639 126.904 > 59 60 I 0.10471408632636 0.82466398437079 0.11382085312639 126.904 > 59 61 I 0.10471408632636 0.42533601562921 0.61382085312639 126.904 > 61 62 I 0.10471408632636 0.92533601562921 0.61382085312639 126.904 > 61 63 I 0.56729596735369 0.24399933017549 0.82154641484368 126.904 > 63 64 I 0.56729596735369 0.74399933017549 0.82154641484368 126.904 > 63 65 I 0.89906535025323 0.25444484273392 0.58123672988953 126.904 > 65 66 I 0.89906535025323 0.75444484273392 0.58123672988953 126.904 > 65 67 I 0.40971539594876 0.16406827216587 0.47197136542601 126.904 > 67 68 I 0.40971539594876 0.66406827216587 0.47197136542601 126.904 > 67 69 I 0.56729596735369 0.00600066982451 0.32154641484368 126.904 > 69 70 I 0.56729596735369 0.50600066982451 0.32154641484368 126.904 > 69 71 I 0.89906535025323 0.49555515726608 0.08123672988953 126.904 > 71 72 I 0.89906535025323 0.99555515726608 0.08123672988953 126.904 > 71 73 I 0.68168460780713 0.15604150807156 0.11404804864354 126.904 > 73 74 I 0.68168460780713 0.65604150807156 0.11404804864354 126.904 > 73 75 I 0.31831539219287 0.40604150807156 0.38595195135646 126.904 > 75 76 I 0.31831539219287 0.90604150807156 0.38595195135646 126.904 > 75 77 I 0.31831539219287 0.34395849192844 0.88595195135646 126.904 > 77 78 I 0.31831539219287 0.84395849192844 0.88595195135646 126.904 > 77 79 I 0.18653474731638 0.15857400923864 0.70646576361998 126.904 > 79 80 I 0.18653474731638 0.65857400923864 0.70646576361998 126.904 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.0863806 0.0000000 -0.0522302 0.0000000 7.0124267 0.0000000 -0.0522312 0.0000000 7.1316073 -------------------------- Born effective charges -------------------------- 1 Tl 2.4311366 -0.5608369 0.2836244 -0.5706906 2.0671900 -0.1097394 0.2188239 -0.1155039 1.7821646 2 Tl 1.9829749 0.2657928 0.0192545 0.1155935 2.0569771 -0.2882972 -0.1088010 -0.3672278 2.3443225 3 Tl 2.4311366 -0.5608369 0.2836244 -0.5706906 2.0671900 -0.1097394 0.2188239 -0.1155039 1.7821646 4 Tl 1.7324113 0.1944107 -0.3645341 0.2759859 2.4193702 -0.3485389 -0.3516465 -0.4293842 2.2897332 5 Tl 1.7324113 -0.1944107 -0.3645341 -0.2759859 2.4193702 0.3485389 -0.3516465 0.4293842 2.2897332 6 Tl 2.4311366 0.5608369 0.2836244 0.5706906 2.0671900 0.1097394 0.2188239 0.1155039 1.7821646 7 Tl 1.9829749 -0.2657928 0.0192545 -0.1155935 2.0569771 0.2882972 -0.1088010 0.3672278 2.3443225 8 Tl 1.7324113 -0.1944107 -0.3645341 -0.2759859 2.4193702 0.3485389 -0.3516465 0.4293842 2.2897332 9 Tl 1.9829749 -0.2657928 0.0192545 -0.1155935 2.0569771 0.2882972 -0.1088010 0.3672278 2.3443225 10 Tl 2.4311366 0.5608369 0.2836244 0.5706906 2.0671900 0.1097394 0.2188239 0.1155039 1.7821646 11 Tl 1.9829749 0.2657928 0.0192545 0.1155935 2.0569771 -0.2882972 -0.1088010 -0.3672278 2.3443225 12 Tl 1.7324113 0.1944107 -0.3645341 0.2759859 2.4193702 -0.3485389 -0.3516465 -0.4293842 2.2897332 13 Bi 4.4137670 -0.0566595 -0.1790609 -0.2212358 4.3894806 0.0281881 -0.0892856 0.0169210 4.2791511 14 Bi 4.4137670 0.0566595 -0.1790609 0.2212358 4.3894806 -0.0281881 -0.0892856 -0.0169210 4.2791511 15 Bi 4.4137670 -0.0566595 -0.1790609 -0.2212358 4.3894806 0.0281881 -0.0892856 0.0169210 4.2791511 16 Bi 4.4137670 0.0566595 -0.1790609 0.2212358 4.3894806 -0.0281881 -0.0892856 -0.0169210 4.2791511 17 I -1.8437706 -0.2782034 -0.2531609 -0.3989733 -1.6821471 -0.0971106 -0.3524649 -0.0670225 -2.4280872 18 I -1.5696246 -0.0743827 -0.2903434 0.1305248 -1.4130531 -0.3825439 -0.1620755 -0.3791013 -1.6442009 19 I -2.3138466 -0.0212957 0.4180451 0.0521601 -1.1984475 0.2448431 0.3698782 0.2647792 -1.5954758 20 I -1.3444943 -0.1689221 0.1755010 -0.2776410 -2.4114413 -0.2328185 0.1847788 -0.2710792 -1.7453387 21 I -1.5696246 -0.0743827 -0.2903434 0.1305248 -1.4130531 -0.3825439 -0.1620755 -0.3791013 -1.6442009 22 I -2.3138466 0.0212957 0.4180451 -0.0521601 -1.1984475 -0.2448431 0.3698782 -0.2647792 -1.5954758 23 I -1.3444943 -0.1689221 0.1755010 -0.2776410 -2.4114413 -0.2328185 0.1847788 -0.2710792 -1.7453387 24 I -1.8437706 0.2782034 -0.2531609 0.3989733 -1.6821471 0.0971106 -0.3524649 0.0670225 -2.4280872 25 I -2.1558824 -0.0372801 0.2770984 0.0091226 -1.7744180 -0.1088068 0.3174558 -0.1685955 -1.6074587 26 I -1.3444943 0.1689221 0.1755010 0.2776410 -2.4114413 0.2328185 0.1847788 0.2710792 -1.7453387 27 I -1.5696246 0.0743827 -0.2903434 -0.1305248 -1.4130531 0.3825439 -0.1620755 0.3791013 -1.6442009 28 I -2.1558824 0.0372801 0.2770984 -0.0091226 -1.7744180 0.1088068 0.3174558 0.1685955 -1.6074587 29 I -1.3326713 -0.1521451 -0.0864240 0.0900638 -2.4535109 -0.3941110 -0.0266633 -0.4320918 -1.6748102 30 I -1.8437706 0.2782034 -0.2531609 0.3989733 -1.6821471 0.0971106 -0.3524649 0.0670225 -2.4280872 31 I -1.8437706 -0.2782034 -0.2531609 -0.3989733 -1.6821471 -0.0971106 -0.3524649 -0.0670225 -2.4280872 32 I -2.3138466 -0.0212957 0.4180451 0.0521601 -1.1984475 0.2448431 0.3698782 0.2647792 -1.5954758 33 I -2.1558824 0.0372801 0.2770984 -0.0091226 -1.7744180 0.1088068 0.3174558 0.1685955 -1.6074587 34 I -1.5696246 0.0743827 -0.2903434 -0.1305248 -1.4130531 0.3825439 -0.1620755 0.3791013 -1.6442009 35 I -2.3138466 0.0212957 0.4180451 -0.0521601 -1.1984475 -0.2448431 0.3698782 -0.2647792 -1.5954758 36 I -2.1558824 -0.0372801 0.2770984 0.0091226 -1.7744180 -0.1088068 0.3174558 -0.1685955 -1.6074587 37 I -1.3326713 0.1521451 -0.0864240 -0.0900638 -2.4535109 0.3941110 -0.0266633 0.4320918 -1.6748102 38 I -1.3326713 -0.1521451 -0.0864240 0.0900638 -2.4535109 -0.3941110 -0.0266633 -0.4320918 -1.6748102 39 I -1.3326713 0.1521451 -0.0864240 -0.0900638 -2.4535109 0.3941110 -0.0266633 0.4320918 -1.6748102 40 I -1.3444943 0.1689221 0.1755010 0.2776410 -2.4114413 0.2328185 0.1847788 0.2710792 -1.7453387 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 25, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 35, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 37, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 39, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 57, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:19:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:19:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.389650071077289 0.000000000000000 0.000000000000000 b 0.000000000000000 8.862137149999999 0.000000000000000 c -3.319014127877290 0.000000000000000 12.896760398776063 Atomic positions (fractional): 1 Tl 0.04965189552126 0.84868160775038 0.31246129146093 204.383 2 Tl 0.35272916003731 0.87930763814451 0.12961807137624 204.383 3 Tl 0.95034810447874 0.15131839224962 0.68753870853907 204.383 4 Tl 0.20384993725853 0.13484311505713 0.47977559187644 204.383 5 Tl 0.79615006274147 0.63484311505713 0.02022440812356 204.383 6 Tl 0.95034810447874 0.34868160775038 0.18753870853907 204.383 7 Tl 0.64727083996269 0.37930763814451 0.37038192862376 204.383 8 Tl 0.20384993725853 0.36515688494287 0.97977559187644 204.383 9 Tl 0.35272916003731 0.62069236185549 0.62961807137624 204.383 10 Tl 0.04965189552126 0.65131839224962 0.81246129146093 204.383 11 Tl 0.64727083996269 0.12069236185549 0.87038192862376 204.383 12 Tl 0.79615006274147 0.86515688494287 0.52022440812356 204.383 13 Bi 0.26791707783183 0.00435549814841 0.79760387178313 208.980 14 Bi 0.73208292216817 0.50435549814841 0.70239612821687 208.980 15 Bi 0.73208292216817 0.99564450185159 0.20239612821687 208.980 16 Bi 0.26791707783183 0.49564450185159 0.29760387178313 208.980 17 I 0.89528591367364 0.14932796874158 0.38617914687361 126.904 18 I 0.40971539594876 0.17186345566826 0.97197136542602 126.904 19 I 0.43270403264631 0.51200133964901 0.17845358515632 126.904 20 I 0.81346525268362 0.81714801847728 0.79353423638002 126.904 21 I 0.59028460405125 0.82813654433174 0.02802863457398 126.904 22 I 0.43270403264631 0.98799866035099 0.67845358515632 126.904 23 I 0.18653474731638 0.18285198152272 0.20646576361998 126.904 24 I 0.89528591367364 0.35067203125842 0.88617914687361 126.904 25 I 0.10093464974677 0.00888968546784 0.91876327011047 126.904 26 I 0.81346525268362 0.68285198152272 0.29353423638003 126.904 27 I 0.59028460405125 0.67186345566826 0.52802863457398 126.904 28 I 0.10093464974677 0.49111031453216 0.41876327011047 126.904 29 I 0.68168460780713 0.18791698385689 0.61404804864354 126.904 30 I 0.10471408632636 0.64932796874158 0.11382085312639 126.904 31 I 0.10471408632636 0.85067203125842 0.61382085312639 126.904 32 I 0.56729596735369 0.48799866035099 0.82154641484368 126.904 33 I 0.89906535025323 0.50888968546784 0.58123672988953 126.904 34 I 0.40971539594876 0.32813654433174 0.47197136542601 126.904 35 I 0.56729596735369 0.01200133964901 0.32154641484368 126.904 36 I 0.89906535025323 0.99111031453216 0.08123672988953 126.904 37 I 0.68168460780713 0.31208301614311 0.11404804864354 126.904 38 I 0.31831539219287 0.81208301614311 0.38595195135646 126.904 39 I 0.31831539219287 0.68791698385689 0.88595195135646 126.904 40 I 0.18653474731638 0.31714801847728 0.70646576361998 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.389650071077289 0.000000000000000 0.000000000000000 b 0.000000000000000 17.724274299999998 0.000000000000000 c -3.319014127877290 0.000000000000000 12.896760398776063 Atomic positions (fractional): 1 Tl 0.04965189552126 0.42434080387519 0.31246129146093 204.383 > 1 2 Tl 0.04965189552126 0.92434080387519 0.31246129146093 204.383 > 1 3 Tl 0.35272916003731 0.43965381907225 0.12961807137624 204.383 > 3 4 Tl 0.35272916003731 0.93965381907225 0.12961807137624 204.383 > 3 5 Tl 0.95034810447874 0.07565919612481 0.68753870853907 204.383 > 5 6 Tl 0.95034810447874 0.57565919612481 0.68753870853907 204.383 > 5 7 Tl 0.20384993725853 0.06742155752857 0.47977559187644 204.383 > 7 8 Tl 0.20384993725853 0.56742155752857 0.47977559187644 204.383 > 7 9 Tl 0.79615006274147 0.31742155752857 0.02022440812356 204.383 > 9 10 Tl 0.79615006274147 0.81742155752857 0.02022440812356 204.383 > 9 11 Tl 0.95034810447874 0.17434080387519 0.18753870853907 204.383 > 11 12 Tl 0.95034810447874 0.67434080387519 0.18753870853907 204.383 > 11 13 Tl 0.64727083996269 0.18965381907225 0.37038192862376 204.383 > 13 14 Tl 0.64727083996269 0.68965381907225 0.37038192862376 204.383 > 13 15 Tl 0.20384993725853 0.18257844247143 0.97977559187644 204.383 > 15 16 Tl 0.20384993725853 0.68257844247143 0.97977559187644 204.383 > 15 17 Tl 0.35272916003731 0.31034618092775 0.62961807137624 204.383 > 17 18 Tl 0.35272916003731 0.81034618092775 0.62961807137624 204.383 > 17 19 Tl 0.04965189552126 0.32565919612481 0.81246129146093 204.383 > 19 20 Tl 0.04965189552126 0.82565919612481 0.81246129146093 204.383 > 19 21 Tl 0.64727083996269 0.06034618092775 0.87038192862376 204.383 > 21 22 Tl 0.64727083996269 0.56034618092775 0.87038192862376 204.383 > 21 23 Tl 0.79615006274147 0.43257844247143 0.52022440812356 204.383 > 23 24 Tl 0.79615006274147 0.93257844247143 0.52022440812356 204.383 > 23 25 Bi 0.26791707783183 0.00217774907421 0.79760387178313 208.980 > 25 26 Bi 0.26791707783183 0.50217774907421 0.79760387178313 208.980 > 25 27 Bi 0.73208292216817 0.25217774907421 0.70239612821687 208.980 > 27 28 Bi 0.73208292216817 0.75217774907421 0.70239612821687 208.980 > 27 29 Bi 0.73208292216817 0.49782225092579 0.20239612821687 208.980 > 29 30 Bi 0.73208292216817 0.99782225092579 0.20239612821687 208.980 > 29 31 Bi 0.26791707783183 0.24782225092579 0.29760387178313 208.980 > 31 32 Bi 0.26791707783183 0.74782225092579 0.29760387178313 208.980 > 31 33 I 0.89528591367364 0.07466398437079 0.38617914687361 126.904 > 33 34 I 0.89528591367364 0.57466398437079 0.38617914687361 126.904 > 33 35 I 0.40971539594876 0.08593172783413 0.97197136542602 126.904 > 35 36 I 0.40971539594876 0.58593172783413 0.97197136542602 126.904 > 35 37 I 0.43270403264631 0.25600066982451 0.17845358515632 126.904 > 37 38 I 0.43270403264631 0.75600066982451 0.17845358515632 126.904 > 37 39 I 0.81346525268362 0.40857400923864 0.79353423638002 126.904 > 39 40 I 0.81346525268362 0.90857400923864 0.79353423638002 126.904 > 39 41 I 0.59028460405125 0.41406827216587 0.02802863457398 126.904 > 41 42 I 0.59028460405125 0.91406827216587 0.02802863457398 126.904 > 41 43 I 0.43270403264631 0.49399933017549 0.67845358515632 126.904 > 43 44 I 0.43270403264631 0.99399933017549 0.67845358515632 126.904 > 43 45 I 0.18653474731638 0.09142599076136 0.20646576361998 126.904 > 45 46 I 0.18653474731638 0.59142599076136 0.20646576361998 126.904 > 45 47 I 0.89528591367364 0.17533601562921 0.88617914687361 126.904 > 47 48 I 0.89528591367364 0.67533601562921 0.88617914687361 126.904 > 47 49 I 0.10093464974677 0.00444484273392 0.91876327011047 126.904 > 49 50 I 0.10093464974677 0.50444484273392 0.91876327011047 126.904 > 49 51 I 0.81346525268362 0.34142599076136 0.29353423638003 126.904 > 51 52 I 0.81346525268362 0.84142599076136 0.29353423638003 126.904 > 51 53 I 0.59028460405125 0.33593172783413 0.52802863457398 126.904 > 53 54 I 0.59028460405125 0.83593172783413 0.52802863457398 126.904 > 53 55 I 0.10093464974677 0.24555515726608 0.41876327011047 126.904 > 55 56 I 0.10093464974677 0.74555515726608 0.41876327011047 126.904 > 55 57 I 0.68168460780713 0.09395849192844 0.61404804864354 126.904 > 57 58 I 0.68168460780713 0.59395849192844 0.61404804864354 126.904 > 57 59 I 0.10471408632636 0.32466398437079 0.11382085312639 126.904 > 59 60 I 0.10471408632636 0.82466398437079 0.11382085312639 126.904 > 59 61 I 0.10471408632636 0.42533601562921 0.61382085312639 126.904 > 61 62 I 0.10471408632636 0.92533601562921 0.61382085312639 126.904 > 61 63 I 0.56729596735369 0.24399933017549 0.82154641484368 126.904 > 63 64 I 0.56729596735369 0.74399933017549 0.82154641484368 126.904 > 63 65 I 0.89906535025323 0.25444484273392 0.58123672988953 126.904 > 65 66 I 0.89906535025323 0.75444484273392 0.58123672988953 126.904 > 65 67 I 0.40971539594876 0.16406827216587 0.47197136542601 126.904 > 67 68 I 0.40971539594876 0.66406827216587 0.47197136542601 126.904 > 67 69 I 0.56729596735369 0.00600066982451 0.32154641484368 126.904 > 69 70 I 0.56729596735369 0.50600066982451 0.32154641484368 126.904 > 69 71 I 0.89906535025323 0.49555515726608 0.08123672988953 126.904 > 71 72 I 0.89906535025323 0.99555515726608 0.08123672988953 126.904 > 71 73 I 0.68168460780713 0.15604150807156 0.11404804864354 126.904 > 73 74 I 0.68168460780713 0.65604150807156 0.11404804864354 126.904 > 73 75 I 0.31831539219287 0.40604150807156 0.38595195135646 126.904 > 75 76 I 0.31831539219287 0.90604150807156 0.38595195135646 126.904 > 75 77 I 0.31831539219287 0.34395849192844 0.88595195135646 126.904 > 77 78 I 0.31831539219287 0.84395849192844 0.88595195135646 126.904 > 77 79 I 0.18653474731638 0.15857400923864 0.70646576361998 126.904 > 79 80 I 0.18653474731638 0.65857400923864 0.70646576361998 126.904 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.0863806 0.0000000 -0.0522302 0.0000000 7.0124267 0.0000000 -0.0522312 0.0000000 7.1316073 -------------------------- Born effective charges -------------------------- 1 Tl 2.4311366 -0.5608369 0.2836244 -0.5706906 2.0671900 -0.1097394 0.2188239 -0.1155039 1.7821646 2 Tl 1.9829749 0.2657928 0.0192545 0.1155935 2.0569771 -0.2882972 -0.1088010 -0.3672278 2.3443225 3 Tl 2.4311366 -0.5608369 0.2836244 -0.5706906 2.0671900 -0.1097394 0.2188239 -0.1155039 1.7821646 4 Tl 1.7324113 0.1944107 -0.3645341 0.2759859 2.4193702 -0.3485389 -0.3516465 -0.4293842 2.2897332 5 Tl 1.7324113 -0.1944107 -0.3645341 -0.2759859 2.4193702 0.3485389 -0.3516465 0.4293842 2.2897332 6 Tl 2.4311366 0.5608369 0.2836244 0.5706906 2.0671900 0.1097394 0.2188239 0.1155039 1.7821646 7 Tl 1.9829749 -0.2657928 0.0192545 -0.1155935 2.0569771 0.2882972 -0.1088010 0.3672278 2.3443225 8 Tl 1.7324113 -0.1944107 -0.3645341 -0.2759859 2.4193702 0.3485389 -0.3516465 0.4293842 2.2897332 9 Tl 1.9829749 -0.2657928 0.0192545 -0.1155935 2.0569771 0.2882972 -0.1088010 0.3672278 2.3443225 10 Tl 2.4311366 0.5608369 0.2836244 0.5706906 2.0671900 0.1097394 0.2188239 0.1155039 1.7821646 11 Tl 1.9829749 0.2657928 0.0192545 0.1155935 2.0569771 -0.2882972 -0.1088010 -0.3672278 2.3443225 12 Tl 1.7324113 0.1944107 -0.3645341 0.2759859 2.4193702 -0.3485389 -0.3516465 -0.4293842 2.2897332 13 Bi 4.4137670 -0.0566595 -0.1790609 -0.2212358 4.3894806 0.0281881 -0.0892856 0.0169210 4.2791511 14 Bi 4.4137670 0.0566595 -0.1790609 0.2212358 4.3894806 -0.0281881 -0.0892856 -0.0169210 4.2791511 15 Bi 4.4137670 -0.0566595 -0.1790609 -0.2212358 4.3894806 0.0281881 -0.0892856 0.0169210 4.2791511 16 Bi 4.4137670 0.0566595 -0.1790609 0.2212358 4.3894806 -0.0281881 -0.0892856 -0.0169210 4.2791511 17 I -1.8437706 -0.2782034 -0.2531609 -0.3989733 -1.6821471 -0.0971106 -0.3524649 -0.0670225 -2.4280872 18 I -1.5696246 -0.0743827 -0.2903434 0.1305248 -1.4130531 -0.3825439 -0.1620755 -0.3791013 -1.6442009 19 I -2.3138466 -0.0212957 0.4180451 0.0521601 -1.1984475 0.2448431 0.3698782 0.2647792 -1.5954758 20 I -1.3444943 -0.1689221 0.1755010 -0.2776410 -2.4114413 -0.2328185 0.1847788 -0.2710792 -1.7453387 21 I -1.5696246 -0.0743827 -0.2903434 0.1305248 -1.4130531 -0.3825439 -0.1620755 -0.3791013 -1.6442009 22 I -2.3138466 0.0212957 0.4180451 -0.0521601 -1.1984475 -0.2448431 0.3698782 -0.2647792 -1.5954758 23 I -1.3444943 -0.1689221 0.1755010 -0.2776410 -2.4114413 -0.2328185 0.1847788 -0.2710792 -1.7453387 24 I -1.8437706 0.2782034 -0.2531609 0.3989733 -1.6821471 0.0971106 -0.3524649 0.0670225 -2.4280872 25 I -2.1558824 -0.0372801 0.2770984 0.0091226 -1.7744180 -0.1088068 0.3174558 -0.1685955 -1.6074587 26 I -1.3444943 0.1689221 0.1755010 0.2776410 -2.4114413 0.2328185 0.1847788 0.2710792 -1.7453387 27 I -1.5696246 0.0743827 -0.2903434 -0.1305248 -1.4130531 0.3825439 -0.1620755 0.3791013 -1.6442009 28 I -2.1558824 0.0372801 0.2770984 -0.0091226 -1.7744180 0.1088068 0.3174558 0.1685955 -1.6074587 29 I -1.3326713 -0.1521451 -0.0864240 0.0900638 -2.4535109 -0.3941110 -0.0266633 -0.4320918 -1.6748102 30 I -1.8437706 0.2782034 -0.2531609 0.3989733 -1.6821471 0.0971106 -0.3524649 0.0670225 -2.4280872 31 I -1.8437706 -0.2782034 -0.2531609 -0.3989733 -1.6821471 -0.0971106 -0.3524649 -0.0670225 -2.4280872 32 I -2.3138466 -0.0212957 0.4180451 0.0521601 -1.1984475 0.2448431 0.3698782 0.2647792 -1.5954758 33 I -2.1558824 0.0372801 0.2770984 -0.0091226 -1.7744180 0.1088068 0.3174558 0.1685955 -1.6074587 34 I -1.5696246 0.0743827 -0.2903434 -0.1305248 -1.4130531 0.3825439 -0.1620755 0.3791013 -1.6442009 35 I -2.3138466 0.0212957 0.4180451 -0.0521601 -1.1984475 -0.2448431 0.3698782 -0.2647792 -1.5954758 36 I -2.1558824 -0.0372801 0.2770984 0.0091226 -1.7744180 -0.1088068 0.3174558 -0.1685955 -1.6074587 37 I -1.3326713 0.1521451 -0.0864240 -0.0900638 -2.4535109 0.3941110 -0.0266633 0.4320918 -1.6748102 38 I -1.3326713 -0.1521451 -0.0864240 0.0900638 -2.4535109 -0.3941110 -0.0266633 -0.4320918 -1.6748102 39 I -1.3326713 0.1521451 -0.0864240 -0.0900638 -2.4535109 0.3941110 -0.0266633 0.4320918 -1.6748102 40 I -1.3444943 0.1689221 0.1755010 0.2776410 -2.4114413 0.2328185 0.1847788 0.2710792 -1.7453387 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 6 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.36, Number of G-points: 301, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.378 ( 0.000 0.000 0.000) 0.000 0.423 ( 0.000 0.000 0.000) 0.000 0.428 ( 0.000 0.000 0.000) 0.000 0.512 ( 0.000 0.000 0.000) 0.000 0.533 ( 0.000 0.000 0.000) 0.000 0.549 ( 0.000 0.000 0.000) 0.000 0.577 ( 0.000 0.000 0.000) 0.000 0.621 ( 0.000 0.000 0.000) 0.000 0.629 ( 0.000 0.000 0.000) 0.000 0.636 ( 0.000 0.000 0.000) 0.000 0.663 ( 0.000 0.000 0.000) 0.000 0.675 ( 0.000 0.000 0.000) 0.000 0.699 ( 0.000 0.000 0.000) 0.000 0.704 ( 0.000 0.000 0.000) 0.000 0.725 ( 0.000 0.000 0.000) 0.000 0.740 ( 0.000 0.000 0.000) 0.000 0.763 ( 0.000 0.000 0.000) 0.000 0.817 ( 0.000 0.000 0.000) 0.000 0.848 ( 0.000 0.000 0.000) 0.000 0.867 ( 0.000 0.000 0.000) 0.000 0.874 ( 0.000 0.000 0.000) 0.000 0.879 ( 0.000 0.000 0.000) 0.000 0.894 ( 0.000 0.000 0.000) 0.000 0.909 ( 0.000 0.000 0.000) 0.000 0.930 ( 0.000 0.000 0.000) 0.000 0.948 ( 0.000 0.000 0.000) 0.000 1.000 ( 0.000 0.000 0.000) 0.000 1.035 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.077 ( 0.000 0.000 0.000) 0.000 1.087 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.115 ( 0.000 0.000 0.000) 0.000 1.162 ( 0.000 0.000 0.000) 0.000 1.171 ( 0.000 0.000 0.000) 0.000 1.177 ( 0.000 0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.207 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.229 ( 0.000 0.000 0.000) 0.000 1.244 ( 0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.291 ( 0.000 0.000 0.000) 0.000 1.342 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.379 ( 0.000 0.000 0.000) 0.000 1.392 ( 0.000 0.000 0.000) 0.000 1.405 ( 0.000 0.000 0.000) 0.000 1.409 ( 0.000 0.000 0.000) 0.000 1.457 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.483 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.587 ( 0.000 0.000 0.000) 0.000 1.599 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.655 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.725 ( 0.000 0.000 0.000) 0.000 1.731 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 1.921 ( 0.000 0.000 0.000) 0.000 1.926 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.036 ( 0.000 0.000 0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.959 ( 0.000 0.000 0.000) 0.000 2.967 ( 0.000 0.000 0.000) 0.000 3.038 ( 0.000 0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.184 ( 0.000 0.000 0.000) 0.000 3.197 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 3.587 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.119 ( 3.562 0.000 6.872) 7.741 0.179 ( 7.775 0.000 2.737) 8.242 0.322 ( 12.369 0.000 -0.041) 12.369 0.372 ( 1.746 0.000 -1.464) 2.279 0.395 ( 1.490 0.000 -0.356) 1.532 0.457 ( -4.979 0.000 -2.150) 5.423 0.490 ( 1.264 0.000 3.944) 4.141 0.519 ( 0.295 0.000 -0.995) 1.038 0.545 ( -0.250 0.000 0.142) 0.287 0.592 ( -1.782 0.000 -2.884) 3.391 0.593 ( -1.699 0.000 -0.739) 1.853 0.616 ( -1.414 0.000 -0.170) 1.424 0.659 ( -2.775 0.000 -1.250) 3.044 0.668 ( -1.359 0.000 1.230) 1.833 0.669 ( 0.323 0.000 -0.681) 0.753 0.693 ( -0.074 0.000 -0.364) 0.371 0.712 ( -0.050 0.000 0.712) 0.714 0.743 ( 1.969 0.000 -0.467) 2.023 0.777 ( -1.886 0.000 1.014) 2.141 0.793 ( 2.043 0.000 0.520) 2.108 0.805 ( -0.908 0.000 -0.652) 1.118 0.845 ( -0.201 0.000 0.802) 0.827 0.866 ( -0.004 0.000 0.382) 0.382 0.872 ( -1.529 0.000 -0.834) 1.742 0.887 ( -0.645 0.000 0.588) 0.873 0.904 ( -0.382 0.000 -0.090) 0.393 0.923 ( 1.292 0.000 0.627) 1.436 0.940 ( 1.641 0.000 -0.757) 1.807 0.963 ( -0.680 0.000 2.417) 2.511 0.989 ( -0.778 0.000 -0.580) 0.970 1.024 ( -2.235 0.000 1.275) 2.573 1.035 ( 0.655 0.000 2.032) 2.135 1.045 ( -0.574 0.000 -1.290) 1.412 1.062 ( 0.871 0.000 0.136) 0.881 1.094 ( 0.108 0.000 0.722) 0.730 1.097 ( -0.205 0.000 -1.889) 1.900 1.112 ( 0.571 0.000 2.195) 2.268 1.128 ( -1.961 0.000 0.997) 2.200 1.153 ( 1.065 0.000 1.494) 1.835 1.163 ( 0.622 0.000 -2.644) 2.716 1.184 ( -1.060 0.000 -0.290) 1.099 1.192 ( -0.411 0.000 1.334) 1.396 1.194 ( 1.003 0.000 -1.941) 2.185 1.214 ( -0.792 0.000 0.376) 0.876 1.226 ( -1.088 0.000 1.047) 1.510 1.255 ( -1.157 0.000 1.196) 1.664 1.289 ( -0.270 0.000 -2.246) 2.262 1.300 ( 1.511 0.000 1.173) 1.913 1.319 ( 2.582 0.000 0.796) 2.702 1.326 ( -1.993 0.000 -0.943) 2.205 1.354 ( 0.461 0.000 -0.586) 0.746 1.370 ( 0.118 0.000 0.596) 0.608 1.377 ( 0.961 0.000 -1.410) 1.707 1.378 ( 0.275 0.000 -0.893) 0.935 1.422 ( 1.077 0.000 -0.343) 1.131 1.425 ( 0.436 0.000 1.049) 1.136 1.456 ( -1.585 0.000 -0.694) 1.730 1.473 ( 0.793 0.000 -0.083) 0.798 1.476 ( 1.210 0.000 1.518) 1.941 1.512 ( -1.158 0.000 1.263) 1.714 1.516 ( 0.375 0.000 0.190) 0.421 1.520 ( -0.202 0.000 -0.854) 0.878 1.547 ( -1.237 0.000 0.823) 1.486 1.571 ( -0.134 0.000 -0.006) 0.134 1.574 ( -1.691 0.000 -0.481) 1.758 1.615 ( 0.219 0.000 1.037) 1.060 1.623 ( -0.351 0.000 -0.651) 0.739 1.663 ( -0.926 0.000 0.269) 0.964 1.688 ( -0.279 0.000 1.254) 1.285 1.719 ( -0.079 0.000 -1.888) 1.890 1.735 ( 0.871 0.000 -0.112) 0.878 1.773 ( -0.503 0.000 -0.595) 0.779 1.781 ( -1.183 0.000 0.872) 1.469 1.804 ( 0.674 0.000 1.928) 2.042 1.820 ( -1.139 0.000 -1.431) 1.828 1.828 ( -0.690 0.000 -0.833) 1.081 1.853 ( 0.999 0.000 0.503) 1.119 1.864 ( 0.253 0.000 1.023) 1.054 1.892 ( 0.120 0.000 -0.901) 0.909 1.900 ( 1.330 0.000 -0.424) 1.395 1.911 ( 0.830 0.000 0.024) 0.831 1.922 ( -0.466 0.000 -0.036) 0.467 1.928 ( -0.252 0.000 -0.374) 0.451 1.958 ( 0.557 0.000 -0.341) 0.653 1.991 ( -0.982 0.000 0.162) 0.995 2.029 ( 0.336 0.000 -1.631) 1.665 2.075 ( 1.736 0.000 0.891) 1.951 2.100 ( -0.281 0.000 -0.721) 0.774 2.101 ( -0.305 0.000 2.305) 2.325 2.138 ( 0.561 0.000 1.910) 1.991 2.153 ( 0.986 0.000 -7.418) 7.483 2.160 ( -1.918 0.000 1.521) 2.448 2.202 ( -0.684 0.000 0.796) 1.049 2.260 ( 1.251 0.000 -0.567) 1.373 2.548 ( 0.747 0.000 0.064) 0.749 2.604 ( 0.576 0.000 -0.108) 0.586 2.738 ( -0.544 0.000 0.055) 0.547 2.806 ( 0.409 0.000 -0.116) 0.425 2.823 ( -0.739 0.000 2.824) 2.919 2.852 ( -0.645 0.000 -0.274) 0.701 2.917 ( 0.384 0.000 0.214) 0.440 2.959 ( -1.253 0.000 0.517) 1.355 2.962 ( 0.219 0.000 -0.105) 0.243 3.034 ( -0.334 0.000 -0.012) 0.334 3.166 ( -2.228 0.000 2.737) 3.530 3.167 ( -0.787 0.000 -0.504) 0.934 3.213 ( 0.519 0.000 1.071) 1.190 3.262 ( 2.120 0.000 1.343) 2.509 3.300 ( -0.774 0.000 -0.926) 1.206 3.343 ( 0.357 0.000 -0.384) 0.524 3.379 ( -0.564 0.000 0.780) 0.962 3.390 ( 1.518 0.000 0.821) 1.726 3.605 ( 1.937 0.000 -0.611) 2.031 3.648 ( -0.469 0.000 -0.148) 0.492 3.668 ( 0.031 0.000 -2.344) 2.344 3.687 ( 0.696 0.000 -1.938) 2.059 3.748 ( 2.906 0.000 0.150) 2.910 3.930 ( -3.788 0.000 0.650) 3.844 3.973 ( 0.789 0.000 -3.487) 3.575 3.982 ( 0.065 0.000 -0.178) 0.190 ======================= Grid point 2 (3/40) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.174 ( 0.000 0.000 0.000) 0.000 0.273 ( 0.000 0.000 0.000) 0.000 0.343 ( 0.000 0.000 0.000) 0.000 0.382 ( 0.000 0.000 -0.000) 0.000 0.436 ( 0.000 0.000 0.000) 0.000 0.493 ( 0.000 0.000 0.000) 0.000 0.503 ( 0.000 0.000 0.000) 0.000 0.514 ( 0.000 0.000 0.000) 0.000 0.543 ( 0.000 0.000 0.000) 0.000 0.574 ( 0.000 0.000 -0.000) 0.000 0.583 ( 0.000 0.000 0.000) 0.000 0.618 ( 0.000 0.000 0.000) 0.000 0.620 ( -0.000 0.000 -0.000) 0.000 0.651 ( 0.000 0.000 0.000) 0.000 0.661 ( 0.000 0.000 0.000) 0.000 0.694 ( 0.000 0.000 0.000) 0.000 0.696 ( 0.000 0.000 0.000) 0.000 0.738 ( 0.000 0.000 -0.000) 0.000 0.777 ( 0.000 0.000 0.000) 0.000 0.789 ( 0.000 0.000 -0.000) 0.000 0.819 ( 0.000 0.000 0.000) 0.000 0.859 ( -0.000 0.000 -0.000) 0.000 0.859 ( 0.000 0.000 0.000) 0.000 0.861 ( 0.000 0.000 0.000) 0.000 0.867 ( 0.000 0.000 -0.000) 0.000 0.888 ( -0.000 0.000 0.000) 0.000 0.933 ( 0.000 0.000 0.000) 0.000 0.964 ( 0.000 0.000 0.000) 0.000 0.967 ( 0.000 0.000 -0.000) 0.000 0.973 ( -0.000 0.000 0.000) 0.000 1.009 ( 0.000 0.000 -0.000) 0.000 1.060 ( 0.000 0.000 0.000) 0.000 1.063 ( 0.000 0.000 0.000) 0.000 1.068 ( -0.000 0.000 -0.000) 0.000 1.070 ( -0.000 0.000 -0.000) 0.000 1.079 ( 0.000 0.000 0.000) 0.000 1.100 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 -0.000) 0.000 1.164 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.173 ( 0.000 0.000 -0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.202 ( 0.000 0.000 -0.000) 0.000 1.218 ( 0.000 0.000 0.000) 0.000 1.219 ( 0.000 0.000 -0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.298 ( 0.000 0.000 0.000) 0.000 1.321 ( 0.000 0.000 0.000) 0.000 1.350 ( 0.000 0.000 -0.000) 0.000 1.358 ( 0.000 0.000 0.000) 0.000 1.362 ( -0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 -0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.420 ( 0.000 0.000 -0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.440 ( 0.000 0.000 0.000) 0.000 1.489 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 -0.000) 0.000 1.511 ( -0.000 0.000 -0.000) 0.000 1.514 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.533 ( 0.000 0.000 0.000) 0.000 1.537 ( 0.000 0.000 0.000) 0.000 1.579 ( 0.000 0.000 0.000) 0.000 1.616 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 -0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.704 ( 0.000 0.000 0.000) 0.000 1.707 ( -0.000 0.000 -0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.766 ( 0.000 0.000 0.000) 0.000 1.771 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 -0.000) 0.000 1.816 ( 0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 -0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.910 ( 0.000 0.000 -0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.918 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.963 ( 0.000 0.000 0.000) 0.000 1.985 ( 0.000 0.000 0.000) 0.000 2.031 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 -0.000) 0.000 2.102 ( 0.000 0.000 -0.000) 0.000 2.109 ( 0.000 0.000 -0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.138 ( -0.000 0.000 0.000) 0.000 2.169 ( 0.000 0.000 -0.000) 0.000 2.189 ( -0.000 0.000 0.000) 0.000 2.275 ( 0.000 0.000 -0.000) 0.000 2.556 ( 0.000 0.000 -0.000) 0.000 2.609 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.813 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.844 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 2.964 ( 0.000 0.000 -0.000) 0.000 3.030 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.158 ( 0.000 0.000 -0.000) 0.000 3.220 ( 0.000 0.000 -0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.292 ( 0.000 0.000 -0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.632 ( 0.000 0.000 0.000) 0.000 3.636 ( 0.000 0.000 -0.000) 0.000 3.662 ( 0.000 0.000 -0.000) 0.000 3.688 ( 0.000 0.000 -0.000) 0.000 3.808 ( 0.000 0.000 -0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.972 ( 0.000 0.000 -0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 5 (4/40) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.189 ( 0.000 9.705 0.000) 9.705 0.222 ( 0.000 11.266 0.000) 11.266 0.294 ( 0.000 13.625 0.000) 13.625 0.391 ( 0.000 1.240 0.000) 1.240 0.415 ( 0.000 -0.491 0.000) 0.491 0.457 ( 0.000 3.396 0.000) 3.396 0.495 ( 0.000 -1.741 0.000) 1.741 0.526 ( 0.000 -0.293 0.000) 0.293 0.536 ( 0.000 -1.449 0.000) 1.449 0.576 ( 0.000 -1.959 0.000) 1.959 0.588 ( 0.000 0.909 0.000) 0.909 0.623 ( 0.000 -0.955 0.000) 0.955 0.638 ( 0.000 -0.020 0.000) 0.020 0.671 ( 0.000 0.188 0.000) 0.188 0.693 ( 0.000 -0.909 0.000) 0.909 0.704 ( 0.000 -0.142 0.000) 0.142 0.717 ( 0.000 1.769 0.000) 1.769 0.720 ( 0.000 0.016 0.000) 0.016 0.747 ( 0.000 0.541 0.000) 0.541 0.765 ( 0.000 1.088 0.000) 1.088 0.814 ( 0.000 -0.621 0.000) 0.621 0.844 ( 0.000 -2.154 0.000) 2.154 0.850 ( 0.000 -0.336 0.000) 0.336 0.854 ( 0.000 -2.235 0.000) 2.235 0.867 ( 0.000 -0.849 0.000) 0.849 0.889 ( 0.000 -0.429 0.000) 0.429 0.906 ( 0.000 -0.622 0.000) 0.622 0.907 ( 0.000 0.155 0.000) 0.155 0.950 ( 0.000 0.423 0.000) 0.423 0.976 ( 0.000 -2.013 0.000) 2.013 1.029 ( 0.000 -1.258 0.000) 1.258 1.037 ( 0.000 -2.363 0.000) 2.363 1.057 ( 0.000 0.162 0.000) 0.162 1.060 ( 0.000 0.509 0.000) 0.509 1.069 ( 0.000 -1.012 0.000) 1.012 1.086 ( 0.000 0.508 0.000) 0.508 1.114 ( 0.000 -1.973 0.000) 1.973 1.124 ( 0.000 1.010 0.000) 1.010 1.164 ( 0.000 1.766 0.000) 1.766 1.171 ( 0.000 -1.101 0.000) 1.101 1.194 ( 0.000 1.086 0.000) 1.086 1.200 ( 0.000 1.949 0.000) 1.949 1.214 ( 0.000 -1.125 0.000) 1.125 1.216 ( 0.000 -1.009 0.000) 1.009 1.246 ( 0.000 0.875 0.000) 0.875 1.265 ( 0.000 -0.039 0.000) 0.039 1.281 ( 0.000 0.146 0.000) 0.146 1.296 ( 0.000 0.256 0.000) 0.256 1.314 ( 0.000 -1.737 0.000) 1.737 1.337 ( 0.000 -0.493 0.000) 0.493 1.359 ( 0.000 -0.018 0.000) 0.018 1.376 ( 0.000 0.061 0.000) 0.061 1.396 ( 0.000 -0.077 0.000) 0.077 1.404 ( 0.000 0.112 0.000) 0.112 1.438 ( 0.000 1.530 0.000) 1.530 1.441 ( 0.000 2.317 0.000) 2.317 1.445 ( 0.000 -0.083 0.000) 0.083 1.478 ( 0.000 -0.516 0.000) 0.516 1.479 ( 0.000 -1.010 0.000) 1.010 1.496 ( 0.000 0.037 0.000) 0.037 1.501 ( 0.000 -1.280 0.000) 1.280 1.544 ( 0.000 -0.648 0.000) 0.648 1.561 ( 0.000 0.426 0.000) 0.426 1.580 ( 0.000 0.863 0.000) 0.863 1.582 ( 0.000 -1.058 0.000) 1.058 1.611 ( 0.000 -0.114 0.000) 0.114 1.634 ( 0.000 0.651 0.000) 0.651 1.664 ( 0.000 -0.141 0.000) 0.141 1.715 ( 0.000 -1.127 0.000) 1.127 1.727 ( 0.000 0.027 0.000) 0.027 1.742 ( 0.000 -1.994 0.000) 1.994 1.752 ( 0.000 -0.683 0.000) 0.683 1.781 ( 0.000 -1.730 0.000) 1.730 1.788 ( 0.000 0.527 0.000) 0.527 1.804 ( 0.000 0.881 0.000) 0.881 1.822 ( 0.000 -0.899 0.000) 0.899 1.828 ( 0.000 -0.734 0.000) 0.734 1.849 ( 0.000 0.125 0.000) 0.125 1.866 ( 0.000 -0.079 0.000) 0.079 1.885 ( 0.000 0.724 0.000) 0.724 1.903 ( 0.000 -0.716 0.000) 0.716 1.917 ( 0.000 -2.506 0.000) 2.506 1.928 ( 0.000 -0.451 0.000) 0.451 1.957 ( 0.000 1.586 0.000) 1.586 1.984 ( 0.000 2.150 0.000) 2.150 2.011 ( 0.000 -0.872 0.000) 0.872 2.037 ( 0.000 -0.160 0.000) 0.160 2.038 ( 0.000 0.260 0.000) 0.260 2.081 ( 0.000 -1.362 0.000) 1.362 2.105 ( 0.000 -1.691 0.000) 1.691 2.167 ( 0.000 -0.587 0.000) 0.587 2.184 ( 0.000 -0.099 0.000) 0.099 2.242 ( 0.000 2.470 0.000) 2.470 2.406 ( 0.000 -3.312 0.000) 3.312 2.558 ( 0.000 1.434 0.000) 1.434 2.597 ( 0.000 0.078 0.000) 0.078 2.761 ( 0.000 -1.207 0.000) 1.207 2.761 ( 0.000 -0.844 0.000) 0.844 2.809 ( 0.000 0.581 0.000) 0.581 2.854 ( 0.000 -0.669 0.000) 0.669 2.920 ( 0.000 0.372 0.000) 0.372 2.955 ( 0.000 -1.005 0.000) 1.005 2.967 ( 0.000 0.522 0.000) 0.522 3.020 ( 0.000 -1.307 0.000) 1.307 3.167 ( 0.000 1.803 0.000) 1.803 3.222 ( 0.000 -0.096 0.000) 0.096 3.234 ( 0.000 2.838 0.000) 2.838 3.253 ( 0.000 3.288 0.000) 3.288 3.329 ( 0.000 2.458 0.000) 2.458 3.384 ( 0.000 3.536 0.000) 3.536 3.387 ( 0.000 0.636 0.000) 0.636 3.543 ( 0.000 0.192 0.000) 0.192 3.589 ( 0.000 0.149 0.000) 0.149 3.613 ( 0.000 -0.860 0.000) 0.860 3.669 ( 0.000 1.570 0.000) 1.570 3.698 ( 0.000 1.541 0.000) 1.541 3.730 ( 0.000 1.457 0.000) 1.457 3.896 ( 0.000 -1.596 0.000) 1.596 3.938 ( 0.000 -2.788 0.000) 2.788 3.957 ( 0.000 -2.485 0.000) 2.485 ======================= Grid point 6 (5/40) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.209 ( 5.355 5.100 1.130) 7.481 0.251 ( 1.816 9.755 2.756) 10.298 0.372 ( 1.184 2.587 -2.799) 3.991 0.401 ( 1.130 1.329 -0.480) 1.809 0.450 ( 4.283 4.387 0.657) 6.166 0.460 ( -2.220 1.128 -1.074) 2.712 0.475 ( -0.625 -1.198 0.237) 1.372 0.504 ( -1.168 -0.560 1.010) 1.643 0.538 ( 1.451 -0.436 -0.251) 1.535 0.560 ( -1.721 -1.217 0.386) 2.143 0.592 ( 1.090 -0.037 1.256) 1.663 0.625 ( -0.438 0.196 -0.794) 0.927 0.652 ( -1.938 -1.040 -0.060) 2.200 0.665 ( -1.610 -0.435 0.155) 1.675 0.674 ( -0.377 -0.877 -1.595) 1.859 0.682 ( -0.576 0.955 -0.096) 1.120 0.698 ( -0.365 0.253 0.232) 0.501 0.743 ( 1.377 -0.533 -0.730) 1.647 0.754 ( 0.789 -0.900 0.515) 1.303 0.784 ( 1.467 -0.452 0.738) 1.703 0.808 ( -0.504 -0.221 -0.391) 0.675 0.836 ( -0.444 -2.373 0.662) 2.503 0.839 ( -0.853 -0.735 0.096) 1.130 0.855 ( -1.316 -1.660 0.146) 2.124 0.885 ( 0.970 -0.548 -0.009) 1.114 0.887 ( 0.964 -0.854 0.999) 1.630 0.908 ( 0.835 0.505 0.415) 1.060 0.931 ( 0.862 -0.744 -0.864) 1.429 0.959 ( -0.050 -0.242 1.526) 1.546 0.969 ( -0.124 -1.282 -0.804) 1.518 1.008 ( -1.945 -1.351 2.256) 3.271 1.039 ( -0.703 -0.609 0.758) 1.200 1.046 ( -0.378 -0.261 0.442) 0.638 1.064 ( 0.348 -1.174 -1.901) 2.261 1.080 ( -0.011 0.051 -0.961) 0.963 1.097 ( 1.157 0.757 0.545) 1.486 1.117 ( 0.157 -0.683 1.427) 1.590 1.127 ( 0.490 0.732 -0.354) 0.950 1.152 ( -0.044 -0.185 0.826) 0.848 1.169 ( -0.436 0.651 -1.939) 2.092 1.191 ( 0.296 0.264 0.007) 0.397 1.201 ( -0.514 -1.035 -0.429) 1.232 1.221 ( 0.386 1.032 -0.716) 1.314 1.223 ( -0.533 1.542 0.418) 1.684 1.233 ( -0.163 -0.596 0.811) 1.020 1.258 ( -2.095 0.631 0.651) 2.282 1.275 ( 0.686 -0.719 -0.646) 1.185 1.311 ( 0.691 -0.181 -0.227) 0.750 1.313 ( 1.298 0.088 1.379) 1.896 1.348 ( -1.341 0.803 -1.611) 2.245 1.352 ( 1.366 -0.616 -0.493) 1.578 1.372 ( -1.030 0.353 0.917) 1.424 1.378 ( -0.635 0.269 -0.115) 0.699 1.407 ( 0.137 2.131 -1.736) 2.752 1.426 ( 0.145 0.317 -0.319) 0.473 1.428 ( -0.316 0.446 -0.492) 0.736 1.455 ( -0.770 -0.102 1.419) 1.618 1.470 ( 0.019 0.456 -0.038) 0.458 1.483 ( 0.639 0.011 -0.299) 0.706 1.496 ( 1.042 -0.587 0.569) 1.324 1.512 ( 0.577 -0.448 0.309) 0.793 1.533 ( -0.812 0.196 0.285) 0.882 1.550 ( -0.550 -0.227 -0.272) 0.654 1.565 ( -1.689 -0.014 0.434) 1.744 1.570 ( -0.576 0.545 0.411) 0.894 1.612 ( -0.340 -0.568 -0.121) 0.673 1.636 ( 0.360 1.344 -0.272) 1.418 1.674 ( 0.292 0.316 0.528) 0.681 1.692 ( -1.092 0.183 0.199) 1.125 1.723 ( -0.372 0.260 0.572) 0.730 1.734 ( 0.942 -0.179 -1.253) 1.578 1.755 ( 0.074 -1.957 -0.406) 2.000 1.770 ( -0.600 -1.410 -0.014) 1.532 1.798 ( -1.438 -1.186 -0.035) 1.864 1.808 ( 0.291 0.001 0.020) 0.292 1.819 ( -0.444 -0.372 -0.173) 0.604 1.844 ( 1.167 -0.618 1.874) 2.292 1.855 ( 0.284 -0.145 0.063) 0.325 1.886 ( 1.641 -1.039 -0.328) 1.970 1.900 ( -0.464 -0.399 0.478) 0.777 1.907 ( 0.896 -0.112 -0.388) 0.983 1.927 ( -0.060 -0.334 -0.755) 0.828 1.943 ( 0.220 -0.727 -0.847) 1.137 1.946 ( 0.947 -1.187 0.269) 1.542 1.972 ( -0.734 0.152 0.158) 0.766 2.007 ( -0.690 -0.511 -0.360) 0.931 2.021 ( 1.011 -0.451 -1.409) 1.792 2.059 ( 0.494 -1.541 -0.129) 1.623 2.089 ( -0.741 -1.550 0.199) 1.730 2.119 ( 1.888 -0.072 1.853) 2.647 2.165 ( -0.063 0.076 -0.187) 0.211 2.204 ( 1.651 -0.378 -0.836) 1.889 2.241 ( -0.445 2.725 1.099) 2.972 2.307 ( -5.070 1.725 -2.605) 5.956 2.553 ( 0.086 0.468 -0.119) 0.490 2.604 ( 0.060 -0.210 -0.232) 0.319 2.742 ( -0.674 0.181 -0.009) 0.698 2.777 ( 0.051 -2.799 0.825) 2.918 2.816 ( 0.430 0.624 0.511) 0.914 2.847 ( -0.609 -0.447 -0.147) 0.770 2.919 ( 0.225 0.160 -0.018) 0.277 2.952 ( -0.942 -0.634 0.937) 1.472 2.961 ( -0.074 0.184 0.044) 0.203 3.018 ( -0.249 -1.120 0.243) 1.173 3.179 ( 0.077 1.532 1.301) 2.012 3.221 ( -0.153 1.251 -0.886) 1.541 3.228 ( -0.869 2.506 1.816) 3.214 3.282 ( 2.879 2.228 -1.028) 3.782 3.334 ( 0.276 3.065 -1.015) 3.240 3.373 ( -0.436 3.085 -0.471) 3.151 3.385 ( -0.536 0.815 0.933) 1.350 3.452 ( -3.434 4.032 2.658) 5.926 3.602 ( 1.425 -0.149 -0.129) 1.439 3.646 ( -0.623 0.254 -0.348) 0.758 3.692 ( 2.468 1.191 -3.468) 4.420 3.707 ( 0.819 1.897 0.014) 2.066 3.742 ( 1.608 0.164 1.156) 1.987 3.906 ( -3.279 -2.418 0.522) 4.108 3.914 ( 1.380 -4.288 -2.783) 5.295 3.958 ( 0.033 -2.337 0.176) 2.344 ======================= Grid point 7 (6/40) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.281 ( 0.000 8.734 0.000) 8.734 0.302 ( 0.000 3.197 0.000) 3.197 0.377 ( 0.000 2.865 0.000) 2.865 0.398 ( 0.000 1.642 -0.000) 1.642 0.422 ( 0.000 -3.233 -0.000) 3.233 0.437 ( 0.000 0.005 0.000) 0.005 0.482 ( 0.000 -1.113 0.000) 1.113 0.513 ( 0.000 -1.197 0.000) 1.197 0.541 ( 0.000 -0.279 -0.000) 0.279 0.569 ( 0.000 -1.237 0.000) 1.237 0.608 ( 0.000 0.718 -0.000) 0.718 0.624 ( 0.000 0.623 -0.000) 0.623 0.625 ( 0.000 0.226 0.000) 0.226 0.640 ( 0.000 -1.508 0.000) 1.508 0.667 ( 0.000 0.637 -0.000) 0.637 0.668 ( -0.000 -1.731 0.000) 1.731 0.733 ( -0.000 3.024 0.000) 3.024 0.742 ( 0.000 0.474 0.000) 0.474 0.766 ( 0.000 -1.079 0.000) 1.079 0.794 ( 0.000 0.340 -0.000) 0.340 0.818 ( 0.000 -2.918 0.000) 2.918 0.819 ( -0.000 -1.013 -0.000) 1.013 0.833 ( 0.000 0.259 0.000) 0.259 0.844 ( 0.000 -1.430 0.000) 1.430 0.882 ( 0.000 -0.011 -0.000) 0.011 0.891 ( 0.000 0.283 0.000) 0.283 0.918 ( 0.000 -0.802 0.000) 0.802 0.941 ( 0.000 -1.789 0.000) 1.789 0.958 ( 0.000 -1.107 -0.000) 1.107 0.977 ( 0.000 0.992 0.000) 0.992 1.006 ( 0.000 -1.991 0.000) 1.991 1.021 ( 0.000 -1.709 -0.000) 1.709 1.048 ( 0.000 -0.990 0.000) 0.990 1.066 ( 0.000 0.395 -0.000) 0.395 1.068 ( 0.000 -0.335 -0.000) 0.335 1.093 ( 0.000 1.566 0.000) 1.566 1.124 ( 0.000 1.383 0.000) 1.383 1.144 ( 0.000 -0.273 0.000) 0.273 1.155 ( 0.000 -0.052 0.000) 0.052 1.159 ( 0.000 -0.698 -0.000) 0.698 1.187 ( 0.000 -0.393 0.000) 0.393 1.188 ( -0.000 -0.626 -0.000) 0.626 1.211 ( 0.000 0.548 0.000) 0.548 1.226 ( 0.000 1.977 -0.000) 1.977 1.241 ( 0.000 0.430 -0.000) 0.430 1.242 ( 0.000 1.736 0.000) 1.736 1.292 ( 0.000 -0.373 0.000) 0.373 1.311 ( 0.000 2.075 -0.000) 2.075 1.318 ( 0.000 -0.631 -0.000) 0.631 1.339 ( 0.000 -1.365 0.000) 1.365 1.355 ( 0.000 -0.199 0.000) 0.199 1.362 ( 0.000 0.283 0.000) 0.283 1.390 ( 0.000 -0.902 0.000) 0.902 1.406 ( 0.000 1.813 0.000) 1.813 1.413 ( 0.000 -0.486 0.000) 0.486 1.432 ( 0.000 -0.559 0.000) 0.559 1.451 ( 0.000 1.043 0.000) 1.043 1.466 ( 0.000 -0.137 -0.000) 0.137 1.500 ( 0.000 -0.574 0.000) 0.574 1.506 ( 0.000 0.432 0.000) 0.432 1.519 ( 0.000 -0.286 -0.000) 0.286 1.534 ( 0.000 0.603 0.000) 0.603 1.538 ( 0.000 0.047 -0.000) 0.047 1.545 ( 0.000 1.655 0.000) 1.655 1.578 ( 0.000 -0.025 0.000) 0.025 1.594 ( -0.000 -0.897 0.000) 0.897 1.640 ( 0.000 1.412 -0.000) 1.412 1.665 ( 0.000 1.228 -0.000) 1.228 1.707 ( 0.000 0.158 0.000) 0.158 1.712 ( 0.000 0.168 -0.000) 0.168 1.745 ( 0.000 -0.169 0.000) 0.169 1.751 ( 0.000 -2.053 0.000) 2.053 1.761 ( 0.000 -0.612 0.000) 0.612 1.782 ( 0.000 -2.265 -0.000) 2.265 1.813 ( 0.000 0.175 -0.000) 0.175 1.815 ( 0.000 -0.333 0.000) 0.333 1.859 ( 0.000 0.107 -0.000) 0.107 1.860 ( 0.000 -0.841 0.000) 0.841 1.897 ( 0.000 -0.087 0.000) 0.087 1.901 ( 0.000 -0.767 0.000) 0.767 1.910 ( -0.002 -1.458 0.001) 1.458 1.910 ( 0.002 1.443 -0.001) 1.443 1.951 ( 0.000 0.364 0.000) 0.364 1.955 ( 0.000 -0.004 -0.000) 0.004 1.969 ( 0.000 -1.181 0.000) 1.181 1.999 ( 0.000 -3.800 0.000) 3.800 2.034 ( 0.000 -1.367 0.000) 1.367 2.059 ( 0.000 -1.517 -0.000) 1.517 2.079 ( 0.000 -1.284 0.000) 1.284 2.154 ( 0.000 2.210 0.000) 2.210 2.158 ( -0.000 -1.133 -0.000) 1.133 2.212 ( 0.000 1.503 -0.000) 1.503 2.237 ( 0.000 3.375 0.000) 3.375 2.263 ( 0.000 -0.632 -0.000) 0.632 2.555 ( 0.000 -0.030 -0.000) 0.030 2.601 ( 0.000 -0.859 0.000) 0.859 2.735 ( 0.000 0.265 0.000) 0.265 2.779 ( 0.000 -3.054 0.000) 3.054 2.824 ( 0.000 1.002 0.000) 1.002 2.837 ( 0.000 -0.554 0.000) 0.554 2.927 ( 0.000 -0.448 0.000) 0.448 2.939 ( 0.000 0.006 0.000) 0.006 2.961 ( 0.000 0.137 -0.000) 0.137 3.016 ( 0.000 -0.913 0.000) 0.913 3.181 ( 0.000 2.063 0.000) 2.063 3.220 ( 0.000 4.257 -0.000) 4.257 3.221 ( 0.000 -0.052 0.000) 0.052 3.313 ( 0.000 1.957 -0.000) 1.957 3.332 ( 0.000 4.016 -0.000) 4.016 3.369 ( 0.000 2.107 0.000) 2.107 3.379 ( 0.000 1.050 0.000) 1.050 3.434 ( 0.000 2.639 0.000) 2.639 3.621 ( 0.000 -0.464 -0.000) 0.464 3.633 ( 0.000 0.276 0.000) 0.276 3.701 ( 0.000 2.771 -0.000) 2.771 3.716 ( 0.000 2.636 0.000) 2.636 3.791 ( 0.000 -1.685 0.000) 1.685 3.847 ( 0.000 -1.654 0.000) 1.654 3.919 ( 0.000 -4.690 -0.000) 4.690 3.959 ( 0.000 -2.246 0.000) 2.246 ======================= Grid point 10 (7/40) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 7.579 0.000) 7.579 0.394 ( 0.000 3.803 0.000) 3.803 0.417 ( 0.000 1.715 0.000) 1.715 0.419 ( 0.000 0.269 0.000) 0.269 0.438 ( 0.000 5.597 0.000) 5.597 0.463 ( 0.000 -0.734 0.000) 0.734 0.511 ( 0.000 -1.053 0.000) 1.053 0.529 ( 0.000 0.512 0.000) 0.512 0.551 ( 0.000 0.295 0.000) 0.295 0.579 ( 0.000 2.070 0.000) 2.070 0.611 ( 0.000 1.598 0.000) 1.598 0.615 ( 0.000 0.367 0.000) 0.367 0.649 ( 0.000 4.008 0.000) 4.008 0.659 ( 0.000 -1.220 0.000) 1.220 0.677 ( 0.000 0.114 0.000) 0.114 0.708 ( 0.000 0.760 0.000) 0.760 0.721 ( 0.000 -0.880 0.000) 0.880 0.727 ( 0.000 0.117 0.000) 0.117 0.748 ( 0.000 -0.554 0.000) 0.554 0.780 ( 0.000 -3.687 0.000) 3.687 0.793 ( 0.000 0.827 0.000) 0.827 0.807 ( 0.000 0.376 0.000) 0.376 0.827 ( 0.000 -1.805 0.000) 1.805 0.846 ( 0.000 1.757 0.000) 1.757 0.856 ( 0.000 0.355 0.000) 0.355 0.892 ( 0.000 0.467 0.000) 0.467 0.900 ( 0.000 -0.518 0.000) 0.518 0.917 ( 0.000 1.060 0.000) 1.060 0.944 ( 0.000 -1.611 0.000) 1.611 0.974 ( 0.000 -0.620 0.000) 0.620 0.986 ( 0.000 0.047 0.000) 0.047 0.995 ( 0.000 -1.599 0.000) 1.599 1.039 ( 0.000 -2.271 0.000) 2.271 1.046 ( 0.000 -1.053 0.000) 1.053 1.057 ( 0.000 -0.427 0.000) 0.427 1.078 ( 0.000 -1.216 0.000) 1.216 1.082 ( 0.000 -1.093 0.000) 1.093 1.127 ( 0.000 -3.508 0.000) 3.508 1.144 ( 0.000 -0.298 0.000) 0.298 1.174 ( 0.000 -2.268 0.000) 2.268 1.180 ( 0.000 -1.013 0.000) 1.013 1.199 ( 0.000 1.017 0.000) 1.017 1.217 ( 0.000 0.742 0.000) 0.742 1.228 ( 0.000 0.564 0.000) 0.564 1.246 ( 0.000 -0.144 0.000) 0.144 1.269 ( 0.000 0.345 0.000) 0.345 1.296 ( 0.000 -0.607 0.000) 0.607 1.299 ( 0.000 1.274 0.000) 1.274 1.303 ( 0.000 0.560 0.000) 0.560 1.339 ( 0.000 0.503 0.000) 0.503 1.358 ( 0.000 -0.428 0.000) 0.428 1.375 ( 0.000 -0.262 0.000) 0.262 1.392 ( 0.000 0.458 0.000) 0.458 1.411 ( 0.000 0.709 0.000) 0.709 1.428 ( 0.000 -0.068 0.000) 0.068 1.450 ( 0.000 -1.086 0.000) 1.086 1.467 ( 0.000 -0.625 0.000) 0.625 1.474 ( 0.000 0.423 0.000) 0.423 1.487 ( 0.000 0.761 0.000) 0.761 1.494 ( 0.000 -0.084 0.000) 0.084 1.498 ( 0.000 1.495 0.000) 1.495 1.538 ( 0.000 -0.007 0.000) 0.007 1.552 ( 0.000 -1.456 0.000) 1.456 1.553 ( 0.000 -0.351 0.000) 0.351 1.600 ( 0.000 -0.439 0.000) 0.439 1.609 ( 0.000 0.501 0.000) 0.501 1.660 ( 0.000 1.452 0.000) 1.452 1.665 ( 0.000 1.028 0.000) 1.028 1.691 ( 0.000 -1.106 0.000) 1.106 1.710 ( 0.000 -2.092 0.000) 2.092 1.713 ( 0.000 -1.096 0.000) 1.096 1.736 ( 0.000 0.040 0.000) 0.040 1.760 ( 0.000 -0.800 0.000) 0.800 1.796 ( 0.000 -0.978 0.000) 0.978 1.808 ( 0.000 0.647 0.000) 0.647 1.816 ( 0.000 0.415 0.000) 0.415 1.827 ( 0.000 0.111 0.000) 0.111 1.854 ( 0.000 -1.646 0.000) 1.646 1.869 ( 0.000 1.816 0.000) 1.816 1.879 ( 0.000 -0.136 0.000) 0.136 1.892 ( 0.000 -0.334 0.000) 0.334 1.892 ( 0.000 -0.698 0.000) 0.698 1.922 ( 0.000 0.119 0.000) 0.119 1.975 ( 0.000 -0.797 0.000) 0.797 2.001 ( 0.000 0.769 0.000) 0.769 2.008 ( 0.000 -0.368 0.000) 0.368 2.022 ( 0.000 -1.848 0.000) 1.848 2.024 ( 0.000 -0.215 0.000) 0.215 2.075 ( 0.000 0.527 0.000) 0.527 2.090 ( 0.000 0.067 0.000) 0.067 2.161 ( 0.000 0.023 0.000) 0.023 2.179 ( 0.000 -0.364 0.000) 0.364 2.279 ( 0.000 1.382 0.000) 1.382 2.343 ( 0.000 -3.024 0.000) 3.024 2.580 ( 0.000 0.881 0.000) 0.881 2.598 ( 0.000 -0.118 0.000) 0.118 2.739 ( 0.000 -0.853 0.000) 0.853 2.744 ( 0.000 -0.841 0.000) 0.841 2.822 ( 0.000 0.662 0.000) 0.662 2.841 ( 0.000 -0.587 0.000) 0.587 2.923 ( 0.000 0.127 0.000) 0.127 2.938 ( 0.000 -0.665 0.000) 0.665 2.981 ( 0.000 0.706 0.000) 0.706 3.001 ( 0.000 -0.763 0.000) 0.763 3.196 ( 0.000 1.098 0.000) 1.098 3.217 ( 0.000 -0.308 0.000) 0.308 3.263 ( 0.000 0.973 0.000) 0.973 3.294 ( 0.000 0.445 0.000) 0.445 3.409 ( 0.000 4.378 0.000) 4.378 3.420 ( 0.000 2.724 0.000) 2.724 3.456 ( 0.000 3.851 0.000) 3.851 3.543 ( 0.000 -0.432 0.000) 0.432 3.592 ( 0.000 0.113 0.000) 0.113 3.596 ( 0.000 -0.732 0.000) 0.732 3.707 ( 0.000 2.417 0.000) 2.417 3.734 ( 0.000 2.055 0.000) 2.055 3.772 ( 0.000 2.881 0.000) 2.881 3.852 ( 0.000 -2.892 0.000) 2.892 3.872 ( 0.000 -3.743 0.000) 3.743 3.898 ( 0.000 -3.425 0.000) 3.425 ======================= Grid point 11 (8/40) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 0.085 5.766 0.409) 5.781 0.397 ( 0.428 1.339 0.305) 1.439 0.418 ( 0.576 3.002 -0.072) 3.058 0.432 ( -0.947 3.621 -0.833) 3.834 0.446 ( -0.880 -0.607 0.217) 1.091 0.462 ( 0.856 1.274 -1.643) 2.249 0.498 ( -0.899 0.371 1.171) 1.523 0.517 ( -0.414 0.942 0.115) 1.035 0.546 ( -0.337 0.599 -0.196) 0.715 0.558 ( -2.435 1.015 0.095) 2.640 0.601 ( 0.835 -1.753 -0.253) 1.958 0.619 ( -1.463 0.686 0.217) 1.630 0.636 ( -2.206 -0.451 -2.464) 3.338 0.660 ( -2.020 0.193 1.004) 2.264 0.668 ( -0.313 -0.455 -0.940) 1.090 0.700 ( 0.723 -1.254 -0.129) 1.453 0.711 ( -0.886 0.721 -0.419) 1.217 0.726 ( 0.759 -0.281 0.317) 0.870 0.751 ( 0.561 1.618 1.412) 2.219 0.783 ( 0.346 -0.241 0.871) 0.968 0.796 ( 1.651 -1.130 0.888) 2.189 0.805 ( -1.126 -0.102 0.920) 1.457 0.820 ( -1.130 0.239 0.352) 1.207 0.842 ( 0.420 0.077 -0.497) 0.655 0.860 ( -0.012 -1.370 0.601) 1.496 0.892 ( -0.072 0.651 0.985) 1.183 0.916 ( 0.401 0.334 -0.261) 0.583 0.930 ( -0.015 -1.960 0.173) 1.968 0.943 ( 2.076 1.324 0.212) 2.471 0.970 ( -0.767 0.276 -1.426) 1.642 0.990 ( -0.660 0.499 1.843) 2.020 1.008 ( 1.063 -2.212 -1.316) 2.784 1.030 ( -0.905 -1.325 0.148) 1.611 1.042 ( 0.063 -0.877 1.016) 1.344 1.078 ( 1.245 -1.047 -0.627) 1.744 1.086 ( 0.635 -1.534 0.202) 1.673 1.096 ( 1.617 -0.852 0.886) 2.032 1.126 ( 0.651 -1.972 0.142) 2.081 1.146 ( 0.116 0.279 -0.080) 0.313 1.169 ( -0.437 -1.749 -0.024) 1.803 1.186 ( -1.228 -0.300 -0.845) 1.520 1.194 ( -0.843 0.767 -0.511) 1.249 1.215 ( 1.085 -0.902 -0.487) 1.492 1.237 ( -0.195 0.363 -0.740) 0.847 1.248 ( 1.173 0.751 0.531) 1.490 1.263 ( -0.166 0.753 -1.061) 1.312 1.278 ( 0.296 0.326 -0.401) 0.595 1.307 ( 0.303 -0.028 0.270) 0.407 1.315 ( 0.020 0.315 0.635) 0.709 1.347 ( 0.657 -1.193 -1.185) 1.805 1.351 ( -0.237 0.496 0.039) 0.551 1.366 ( -1.511 -0.659 0.759) 1.815 1.394 ( -0.253 1.218 0.186) 1.257 1.413 ( 0.272 0.226 -0.325) 0.481 1.429 ( -0.187 0.285 0.555) 0.652 1.453 ( 0.383 0.062 0.501) 0.634 1.460 ( -1.393 1.677 -0.711) 2.293 1.480 ( 0.435 -0.202 -0.502) 0.694 1.486 ( 0.778 0.367 -0.107) 0.866 1.492 ( -0.194 -1.192 0.300) 1.245 1.501 ( 0.941 0.620 0.387) 1.192 1.534 ( -0.520 -0.479 -0.179) 0.729 1.547 ( 0.066 0.646 0.694) 0.950 1.561 ( 0.459 0.240 0.054) 0.521 1.594 ( -0.802 0.221 0.455) 0.948 1.607 ( -0.018 0.534 -0.178) 0.563 1.662 ( 0.096 1.082 -1.074) 1.528 1.675 ( 0.954 0.004 0.947) 1.344 1.679 ( -0.794 -1.250 -0.252) 1.502 1.705 ( -0.522 -1.449 0.974) 1.822 1.721 ( 0.371 -1.127 -0.815) 1.440 1.727 ( -0.305 -0.622 -0.207) 0.723 1.757 ( 0.076 0.189 -0.311) 0.372 1.782 ( -1.516 -0.516 -0.664) 1.733 1.810 ( -0.286 -0.603 1.847) 1.964 1.817 ( -0.043 0.389 0.311) 0.500 1.837 ( 0.649 -0.288 0.018) 0.710 1.853 ( 0.433 -1.769 0.097) 1.824 1.869 ( 0.422 0.511 -0.513) 0.838 1.884 ( 0.277 -0.100 -0.770) 0.824 1.896 ( -0.089 -0.032 0.603) 0.610 1.903 ( 1.128 -0.284 0.344) 1.213 1.936 ( 0.908 0.398 -0.162) 1.005 1.963 ( -0.812 -1.155 -1.196) 1.850 1.986 ( -0.875 1.479 -0.328) 1.749 2.007 ( -1.001 -0.100 0.207) 1.027 2.016 ( 0.529 -0.812 -0.153) 0.981 2.035 ( 0.258 -0.308 -0.620) 0.739 2.064 ( -0.134 -0.755 -0.747) 1.070 2.108 ( 1.100 -1.168 0.437) 1.663 2.169 ( 0.624 0.411 0.642) 0.985 2.189 ( 0.726 -0.757 0.437) 1.136 2.281 ( 0.024 1.329 0.507) 1.423 2.307 ( -2.602 -0.790 -1.356) 3.039 2.564 ( -0.781 0.739 -0.254) 1.105 2.594 ( -0.682 -0.744 -0.203) 1.030 2.736 ( -0.170 -0.852 -0.060) 0.871 2.740 ( -0.449 -1.003 0.099) 1.103 2.829 ( 0.511 0.702 0.239) 0.900 2.843 ( 0.032 0.038 -0.006) 0.050 2.917 ( -0.408 -0.134 -0.189) 0.469 2.938 ( -0.315 -0.816 0.437) 0.978 2.974 ( -0.454 0.939 0.799) 1.314 3.002 ( -0.010 -0.701 0.394) 0.804 3.202 ( 0.310 0.789 0.268) 0.889 3.219 ( -0.063 -0.404 0.089) 0.418 3.272 ( 0.750 1.601 -0.041) 1.768 3.309 ( 1.633 0.120 -0.843) 1.842 3.410 ( 0.359 3.885 -0.789) 3.981 3.422 ( -0.297 2.794 0.981) 2.976 3.441 ( -1.304 3.685 0.535) 3.945 3.503 ( -2.615 1.372 1.951) 3.539 3.603 ( 1.268 0.379 0.393) 1.380 3.644 ( 1.759 -0.953 0.060) 2.002 3.701 ( 1.492 0.947 -3.039) 3.515 3.746 ( 0.302 1.828 2.171) 2.855 3.777 ( 0.388 2.954 -0.124) 2.982 3.836 ( -1.377 -3.783 -2.784) 4.895 3.855 ( -1.074 -2.659 0.157) 2.872 3.904 ( 0.283 -3.158 0.321) 3.187 ======================= Grid point 12 (9/40) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( 0.000 3.444 0.000) 3.444 0.393 ( -0.000 -0.251 -0.000) 0.251 0.410 ( 0.000 2.700 0.000) 2.700 0.411 ( -0.000 0.083 -0.000) 0.083 0.434 ( 0.000 0.898 0.000) 0.898 0.457 ( 0.000 4.721 -0.000) 4.721 0.494 ( 0.000 -0.213 0.000) 0.213 0.514 ( 0.000 3.726 0.000) 3.726 0.534 ( -0.000 -0.334 -0.000) 0.334 0.543 ( 0.000 -0.993 -0.000) 0.993 0.589 ( 0.000 -2.020 -0.000) 2.020 0.597 ( -0.000 -0.951 0.000) 0.951 0.622 ( 0.000 -1.220 -0.000) 1.220 0.632 ( -0.000 0.299 0.000) 0.299 0.665 ( 0.000 1.031 -0.000) 1.031 0.691 ( 0.000 1.505 0.000) 1.505 0.725 ( 0.000 -2.270 -0.000) 2.270 0.735 ( 0.000 -1.500 -0.000) 1.500 0.741 ( -0.000 -2.282 0.000) 2.282 0.792 ( 0.000 -0.249 -0.000) 0.249 0.793 ( -0.000 0.120 0.000) 0.120 0.810 ( 0.000 -0.114 0.000) 0.114 0.840 ( -0.000 0.523 -0.000) 0.523 0.842 ( 0.000 0.162 0.000) 0.162 0.859 ( 0.000 -2.502 -0.000) 2.502 0.891 ( 0.000 -1.139 0.000) 1.139 0.924 ( 0.000 0.580 -0.000) 0.580 0.942 ( 0.000 3.495 -0.000) 3.495 0.953 ( 0.000 0.252 -0.000) 0.252 0.961 ( 0.000 -0.123 0.000) 0.123 0.994 ( 0.000 0.362 -0.000) 0.362 1.002 ( 0.000 -0.837 -0.000) 0.837 1.020 ( 0.000 -1.547 0.000) 1.547 1.050 ( 0.000 -1.425 -0.000) 1.425 1.077 ( 0.000 0.310 0.000) 0.310 1.107 ( 0.000 -2.130 -0.000) 2.130 1.132 ( 0.000 -1.553 0.000) 1.553 1.138 ( 0.000 1.318 0.000) 1.318 1.141 ( 0.000 0.217 -0.000) 0.217 1.144 ( -0.000 -0.858 0.000) 0.858 1.173 ( 0.000 -1.337 0.000) 1.337 1.179 ( 0.000 0.253 -0.000) 0.253 1.220 ( 0.000 -0.543 0.000) 0.543 1.233 ( 0.000 -0.716 -0.000) 0.716 1.266 ( 0.000 0.813 -0.000) 0.813 1.267 ( -0.000 1.812 0.000) 1.812 1.288 ( 0.000 -0.092 0.000) 0.092 1.303 ( 0.000 -0.153 -0.000) 0.153 1.321 ( 0.000 -0.306 -0.000) 0.306 1.335 ( 0.000 -0.025 0.000) 0.025 1.354 ( 0.000 -0.839 0.000) 0.839 1.355 ( 0.000 -0.732 -0.000) 0.732 1.387 ( 0.000 1.995 -0.000) 1.995 1.415 ( 0.000 0.543 0.000) 0.543 1.426 ( 0.000 0.229 -0.000) 0.229 1.439 ( 0.000 1.622 -0.000) 1.622 1.469 ( -0.000 0.244 -0.000) 0.244 1.479 ( 0.000 0.767 -0.000) 0.767 1.488 ( 0.000 -0.594 0.000) 0.594 1.504 ( 0.000 -0.200 -0.000) 0.200 1.516 ( 0.000 -0.537 -0.000) 0.537 1.522 ( 0.000 -1.092 0.000) 1.092 1.558 ( 0.000 1.023 0.000) 1.023 1.565 ( 0.000 0.709 0.000) 0.709 1.584 ( 0.000 1.120 0.000) 1.120 1.605 ( 0.000 1.490 0.000) 1.490 1.658 ( 0.000 0.057 -0.000) 0.057 1.669 ( 0.000 -1.005 0.000) 1.005 1.694 ( 0.000 -1.501 0.000) 1.501 1.701 ( 0.000 -0.549 -0.000) 0.549 1.718 ( 0.000 -0.648 -0.000) 0.648 1.728 ( 0.000 -1.879 0.000) 1.879 1.753 ( 0.000 0.149 0.000) 0.149 1.765 ( -0.000 0.707 0.000) 0.707 1.809 ( 0.000 -0.715 0.000) 0.715 1.815 ( 0.000 0.347 -0.000) 0.347 1.845 ( 0.000 -1.223 0.000) 1.223 1.864 ( 0.000 -1.561 0.000) 1.561 1.875 ( 0.000 0.197 -0.000) 0.197 1.887 ( 0.000 -0.154 0.000) 0.154 1.893 ( 0.000 -0.086 0.000) 0.086 1.925 ( -0.000 -0.435 -0.000) 0.435 1.932 ( 0.000 -0.267 -0.000) 0.267 1.949 ( 0.000 0.092 0.000) 0.092 1.981 ( 0.000 1.443 0.000) 1.443 1.994 ( 0.000 0.731 -0.000) 0.731 2.024 ( -0.000 -1.225 -0.000) 1.225 2.027 ( 0.000 0.165 0.000) 0.165 2.065 ( 0.000 -0.787 -0.000) 0.787 2.122 ( 0.000 -2.821 0.000) 2.821 2.179 ( 0.000 0.613 0.000) 0.613 2.200 ( 0.000 -1.311 -0.000) 1.311 2.272 ( 0.000 1.067 -0.000) 1.067 2.283 ( 0.000 1.354 0.000) 1.354 2.558 ( 0.000 0.286 -0.000) 0.286 2.582 ( 0.000 -0.975 0.000) 0.975 2.734 ( 0.000 -0.472 0.000) 0.472 2.735 ( 0.000 -1.416 -0.000) 1.416 2.834 ( 0.000 0.321 0.000) 0.321 2.843 ( 0.000 0.817 0.000) 0.817 2.912 ( 0.000 -0.568 -0.000) 0.568 2.934 ( 0.000 -0.644 0.000) 0.644 2.974 ( 0.000 0.966 -0.000) 0.966 3.003 ( 0.000 -0.583 0.000) 0.583 3.206 ( 0.000 0.632 0.000) 0.632 3.217 ( 0.000 -0.313 -0.000) 0.313 3.280 ( 0.000 2.239 -0.000) 2.239 3.328 ( 0.000 -0.327 0.000) 0.327 3.415 ( 0.000 3.661 -0.000) 3.661 3.419 ( 0.000 2.626 0.000) 2.626 3.424 ( -0.000 3.505 0.000) 3.505 3.485 ( 0.000 2.030 0.000) 2.030 3.624 ( 0.000 0.785 -0.000) 0.785 3.643 ( 0.000 0.771 0.000) 0.771 3.733 ( 0.000 -0.710 -0.000) 0.710 3.766 ( 0.000 0.316 0.000) 0.316 3.770 ( -0.000 1.000 -0.000) 1.000 3.798 ( 0.000 -1.383 0.000) 1.383 3.846 ( 0.000 -2.419 0.000) 2.419 3.908 ( 0.000 -2.974 0.000) 2.974 ======================= Grid point 15 (10/40) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 0.000 -0.479 0.000) 0.479 0.409 ( 0.000 0.479 0.000) 0.479 0.444 ( 0.000 -1.494 0.000) 1.494 0.444 ( 0.000 1.494 0.000) 1.494 0.474 ( 0.000 -3.675 0.000) 3.675 0.474 ( 0.000 3.675 0.000) 3.675 0.534 ( 0.000 -1.487 0.000) 1.487 0.534 ( 0.000 1.487 0.000) 1.487 0.558 ( 0.000 -3.367 0.000) 3.367 0.558 ( 0.000 3.367 0.000) 3.367 0.621 ( 0.000 -0.860 0.000) 0.860 0.621 ( 0.000 0.860 0.000) 0.860 0.671 ( 0.000 -2.714 0.000) 2.714 0.671 ( 0.000 2.714 0.000) 2.714 0.703 ( 0.000 -2.039 0.000) 2.039 0.703 ( 0.000 2.039 0.000) 2.039 0.718 ( 0.000 -0.711 0.000) 0.711 0.718 ( 0.000 0.711 0.000) 0.711 0.736 ( 0.000 -0.276 0.000) 0.276 0.736 ( 0.000 0.276 0.000) 0.276 0.801 ( 0.000 -0.603 0.000) 0.603 0.801 ( 0.000 0.603 0.000) 0.603 0.856 ( 0.000 -2.364 0.000) 2.364 0.856 ( 0.000 2.364 0.000) 2.364 0.899 ( 0.000 -0.150 0.000) 0.150 0.899 ( 0.000 0.150 0.000) 0.150 0.902 ( 0.000 -0.678 0.000) 0.678 0.902 ( 0.000 0.678 0.000) 0.678 0.945 ( 0.000 -3.991 0.000) 3.991 0.945 ( 0.000 3.991 0.000) 3.991 0.978 ( 0.000 -0.602 0.000) 0.602 0.978 ( 0.000 0.602 0.000) 0.602 1.033 ( 0.000 -1.093 0.000) 1.093 1.033 ( 0.000 1.093 0.000) 1.093 1.054 ( 0.000 -0.653 0.000) 0.653 1.054 ( 0.000 0.653 0.000) 0.653 1.068 ( 0.000 -0.259 0.000) 0.259 1.068 ( 0.000 0.259 0.000) 0.259 1.138 ( 0.000 -0.746 0.000) 0.746 1.138 ( 0.000 0.746 0.000) 0.746 1.193 ( 0.000 -1.077 0.000) 1.077 1.193 ( 0.000 1.077 0.000) 1.077 1.228 ( 0.000 -0.307 0.000) 0.307 1.228 ( 0.000 0.307 0.000) 0.307 1.264 ( 0.000 -1.254 0.000) 1.254 1.264 ( 0.000 1.254 0.000) 1.254 1.293 ( 0.000 -0.609 0.000) 0.609 1.293 ( 0.000 0.609 0.000) 0.609 1.327 ( 0.000 -1.323 0.000) 1.323 1.327 ( 0.000 1.323 0.000) 1.323 1.363 ( 0.000 -0.911 0.000) 0.911 1.363 ( 0.000 0.911 0.000) 0.911 1.424 ( 0.000 -0.473 0.000) 0.473 1.424 ( 0.000 0.473 0.000) 0.473 1.435 ( 0.000 -1.055 0.000) 1.055 1.435 ( 0.000 1.055 0.000) 1.055 1.453 ( 0.000 -0.437 0.000) 0.437 1.453 ( 0.000 0.437 0.000) 0.437 1.494 ( 0.000 -0.224 0.000) 0.224 1.494 ( 0.000 0.224 0.000) 0.224 1.528 ( 0.000 -1.065 0.000) 1.065 1.528 ( 0.000 1.065 0.000) 1.065 1.548 ( 0.000 -0.325 0.000) 0.325 1.548 ( 0.000 0.325 0.000) 0.325 1.600 ( 0.000 -0.550 0.000) 0.550 1.600 ( 0.000 0.550 0.000) 0.550 1.677 ( 0.000 -0.319 0.000) 0.319 1.677 ( 0.000 0.319 0.000) 0.319 1.696 ( 0.000 -0.506 0.000) 0.506 1.696 ( 0.000 0.506 0.000) 0.506 1.707 ( 0.000 -2.415 0.000) 2.415 1.707 ( 0.000 2.415 0.000) 2.415 1.770 ( 0.000 -1.396 0.000) 1.396 1.770 ( 0.000 1.396 0.000) 1.396 1.822 ( 0.000 -0.461 0.000) 0.461 1.822 ( 0.000 0.461 0.000) 0.461 1.828 ( 0.000 -1.048 0.000) 1.048 1.828 ( 0.000 1.048 0.000) 1.048 1.883 ( 0.000 -0.041 0.000) 0.041 1.883 ( 0.000 0.041 0.000) 0.041 1.894 ( 0.000 -0.377 0.000) 0.377 1.894 ( 0.000 0.377 0.000) 0.377 1.938 ( 0.000 -2.071 0.000) 2.071 1.938 ( 0.000 2.071 0.000) 2.071 1.997 ( 0.000 -0.330 0.000) 0.330 1.997 ( 0.000 0.330 0.000) 0.330 2.022 ( 0.000 -0.728 0.000) 0.728 2.022 ( 0.000 0.728 0.000) 0.728 2.087 ( 0.000 -0.549 0.000) 0.549 2.087 ( 0.000 0.549 0.000) 0.549 2.169 ( 0.000 -0.696 0.000) 0.696 2.169 ( 0.000 0.696 0.000) 0.696 2.302 ( 0.000 -1.393 0.000) 1.393 2.302 ( 0.000 1.393 0.000) 1.393 2.592 ( 0.000 -0.462 0.000) 0.462 2.592 ( 0.000 0.462 0.000) 0.462 2.733 ( 0.000 -0.241 0.000) 0.241 2.733 ( 0.000 0.241 0.000) 0.241 2.832 ( 0.000 -0.454 0.000) 0.454 2.832 ( 0.000 0.454 0.000) 0.454 2.928 ( 0.000 -0.409 0.000) 0.409 2.928 ( 0.000 0.409 0.000) 0.409 2.991 ( 0.000 -0.380 0.000) 0.380 2.991 ( 0.000 0.380 0.000) 0.380 3.210 ( 0.000 -0.484 0.000) 0.484 3.210 ( 0.000 0.484 0.000) 0.484 3.283 ( 0.000 -1.128 0.000) 1.128 3.283 ( 0.000 1.128 0.000) 1.128 3.453 ( 0.000 -0.016 0.000) 0.016 3.453 ( 0.000 0.016 0.000) 0.016 3.518 ( 0.000 -2.397 0.000) 2.397 3.518 ( 0.000 2.397 0.000) 2.397 3.591 ( 0.000 -0.109 0.000) 0.109 3.591 ( 0.000 0.109 0.000) 0.109 3.752 ( 0.000 -1.380 0.000) 1.380 3.752 ( 0.000 1.380 0.000) 1.380 3.817 ( 0.000 -0.599 0.000) 0.599 3.817 ( 0.000 0.599 0.000) 0.599 3.834 ( 0.000 -3.102 0.000) 3.102 3.834 ( 0.000 3.102 0.000) 3.102 ======================= Grid point 17 (11/40) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.390 ( -0.917 -1.332 -0.117) 1.621 0.390 ( -0.917 1.332 -0.117) 1.621 0.447 ( -0.308 -0.962 -0.079) 1.014 0.447 ( -0.308 0.962 -0.079) 1.014 0.463 ( -0.443 -1.697 0.279) 1.776 0.463 ( -0.443 1.697 0.279) 1.776 0.538 ( 0.026 -2.000 0.075) 2.002 0.538 ( 0.026 2.000 0.075) 2.002 0.547 ( -1.786 -1.759 0.899) 2.663 0.547 ( -1.786 1.759 0.899) 2.663 0.610 ( -0.524 -2.426 -2.190) 3.310 0.610 ( -0.524 2.426 -2.190) 3.310 0.637 ( -1.719 -0.917 -1.594) 2.517 0.637 ( -1.719 0.917 -1.594) 2.517 0.686 ( -0.352 -1.288 -0.296) 1.367 0.686 ( -0.352 1.288 -0.296) 1.367 0.714 ( -0.885 -3.076 1.431) 3.506 0.714 ( -0.885 3.076 1.431) 3.506 0.755 ( 0.419 -2.000 0.971) 2.262 0.755 ( 0.419 2.000 0.971) 2.262 0.808 ( -0.204 -1.469 1.577) 2.165 0.808 ( -0.204 1.469 1.577) 2.165 0.838 ( -0.605 -1.358 -0.378) 1.534 0.838 ( -0.605 1.358 -0.378) 1.534 0.870 ( -1.835 -1.897 0.142) 2.644 0.870 ( -1.835 1.897 0.142) 2.644 0.929 ( 1.382 -1.299 -0.467) 1.953 0.929 ( 1.382 1.299 -0.467) 1.953 0.969 ( 1.874 -1.860 0.454) 2.679 0.969 ( 1.874 1.860 0.454) 2.679 0.987 ( 0.263 -2.236 1.494) 2.702 0.987 ( 0.263 2.236 1.494) 2.702 1.031 ( -0.043 -1.722 0.286) 1.746 1.031 ( -0.043 1.722 0.286) 1.746 1.049 ( 0.412 -2.429 -1.563) 2.918 1.049 ( 0.412 2.429 -1.563) 2.918 1.098 ( 2.437 -0.642 0.062) 2.521 1.098 ( 2.437 0.642 0.062) 2.521 1.145 ( -0.028 -0.385 0.869) 0.951 1.145 ( -0.028 0.385 0.869) 0.951 1.193 ( 0.027 -1.040 -1.049) 1.477 1.193 ( 0.027 1.040 -1.049) 1.477 1.219 ( -1.052 -1.414 -0.359) 1.798 1.219 ( -1.052 1.414 -0.359) 1.798 1.267 ( 0.731 -1.049 -0.061) 1.281 1.267 ( 0.731 1.049 -0.061) 1.281 1.298 ( 0.973 -1.764 -0.847) 2.185 1.298 ( 0.973 1.764 -0.847) 2.185 1.324 ( -0.484 -0.985 0.004) 1.097 1.324 ( -0.484 0.985 0.004) 1.097 1.353 ( -1.019 -0.468 0.486) 1.222 1.353 ( -1.019 0.468 0.486) 1.222 1.423 ( -0.079 -0.309 0.110) 0.337 1.423 ( -0.079 0.309 0.110) 0.337 1.439 ( 0.466 -1.433 -0.130) 1.512 1.439 ( 0.466 1.433 -0.130) 1.512 1.473 ( 1.438 -0.460 0.482) 1.585 1.473 ( 1.438 0.460 0.482) 1.585 1.485 ( -0.631 -0.575 0.171) 0.870 1.485 ( -0.631 0.575 0.171) 0.870 1.518 ( -1.020 -1.033 -0.232) 1.470 1.518 ( -1.020 1.033 -0.232) 1.470 1.562 ( 1.080 -0.390 -0.086) 1.151 1.562 ( 1.080 0.390 -0.086) 1.151 1.602 ( 0.395 -0.899 0.185) 0.999 1.602 ( 0.395 0.899 0.185) 0.999 1.666 ( -0.753 -0.141 -0.377) 0.853 1.666 ( -0.753 0.141 -0.377) 0.853 1.695 ( -0.713 -2.071 0.523) 2.251 1.695 ( -0.713 2.071 0.523) 2.251 1.706 ( 0.323 -0.797 -0.435) 0.964 1.706 ( 0.323 0.797 -0.435) 0.964 1.769 ( -0.071 -0.931 -0.359) 1.001 1.769 ( -0.071 0.931 -0.359) 1.001 1.810 ( -0.587 -0.687 1.237) 1.532 1.810 ( -0.587 0.687 1.237) 1.532 1.835 ( 0.139 -0.374 -0.338) 0.523 1.835 ( 0.139 0.374 -0.338) 0.523 1.884 ( 0.056 -0.330 0.140) 0.363 1.884 ( 0.056 0.330 0.140) 0.363 1.906 ( 0.724 -0.489 0.163) 0.889 1.906 ( 0.724 0.489 0.163) 0.889 1.936 ( 0.147 -0.323 -0.961) 1.024 1.936 ( 0.147 0.323 -0.961) 1.024 2.000 ( -0.112 -0.762 0.534) 0.937 2.000 ( -0.112 0.762 0.534) 0.937 2.019 ( 0.467 -1.176 -0.475) 1.352 2.019 ( 0.467 1.176 -0.475) 1.352 2.080 ( -0.541 -1.714 -1.251) 2.190 2.080 ( -0.541 1.714 -1.251) 2.190 2.178 ( 0.397 -0.485 1.151) 1.311 2.178 ( 0.397 0.485 1.151) 1.311 2.295 ( -0.458 -0.453 -0.266) 0.697 2.295 ( -0.458 0.453 -0.266) 0.697 2.579 ( -1.018 -0.812 -0.221) 1.321 2.579 ( -1.018 0.812 -0.221) 1.321 2.728 ( -0.330 -0.219 -0.103) 0.409 2.728 ( -0.330 0.219 -0.103) 0.409 2.840 ( 0.488 -0.436 0.193) 0.682 2.840 ( 0.488 0.436 0.193) 0.682 2.923 ( -0.477 -0.701 -0.050) 0.849 2.923 ( -0.477 0.701 -0.050) 0.849 2.989 ( -0.172 -0.688 0.768) 1.046 2.989 ( -0.172 0.688 0.768) 1.046 3.212 ( 0.090 -0.367 -0.076) 0.385 3.212 ( 0.090 0.367 -0.076) 0.385 3.297 ( 1.278 -1.121 -0.263) 1.720 3.297 ( 1.278 1.121 -0.263) 1.720 3.451 ( -0.233 -0.249 -0.007) 0.341 3.451 ( -0.233 0.249 -0.007) 0.341 3.498 ( -1.591 -1.966 1.205) 2.802 3.498 ( -1.591 1.966 1.205) 2.802 3.619 ( 2.112 -1.296 0.401) 2.510 3.619 ( 2.112 1.296 0.401) 2.510 3.740 ( -0.891 -2.655 -1.381) 3.122 3.740 ( -0.891 2.655 -1.381) 3.122 3.808 ( -0.396 -1.406 -0.555) 1.562 3.808 ( -0.396 1.406 -0.555) 1.562 3.844 ( 0.514 -3.068 0.358) 3.131 3.844 ( 0.514 3.068 0.358) 3.131 ======================= Grid point 19 (12/40) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.000 -0.380 0.000) 0.380 0.397 ( -0.000 0.380 -0.000) 0.380 0.421 ( -0.000 -0.701 -0.000) 0.701 0.421 ( 0.000 0.701 -0.000) 0.701 0.465 ( 0.000 -1.939 -0.000) 1.939 0.465 ( 0.000 1.939 0.000) 1.939 0.523 ( 0.000 -1.522 0.000) 1.522 0.523 ( 0.000 1.522 -0.000) 1.522 0.544 ( 0.000 -0.505 -0.000) 0.505 0.544 ( 0.000 0.505 -0.000) 0.505 0.581 ( 0.000 -1.074 0.000) 1.074 0.581 ( 0.000 1.074 0.000) 1.074 0.640 ( 0.000 -1.549 -0.000) 1.549 0.640 ( 0.000 1.549 -0.000) 1.549 0.676 ( -0.000 -1.110 0.000) 1.110 0.676 ( 0.000 1.110 0.000) 1.110 0.703 ( 0.000 -1.196 -0.000) 1.196 0.703 ( 0.000 1.196 0.000) 1.196 0.762 ( 0.000 -3.531 0.000) 3.531 0.762 ( 0.000 3.531 -0.000) 3.531 0.800 ( 0.000 -0.294 -0.000) 0.294 0.800 ( 0.000 0.294 0.000) 0.294 0.842 ( -0.000 -0.032 0.000) 0.032 0.842 ( 0.000 0.032 -0.000) 0.032 0.850 ( 0.000 -2.209 -0.000) 2.209 0.850 ( -0.000 2.209 0.000) 2.209 0.940 ( 0.000 -0.567 -0.000) 0.567 0.940 ( 0.000 0.567 -0.000) 0.567 0.985 ( 0.000 -0.230 -0.000) 0.230 0.985 ( 0.000 0.230 0.000) 0.230 1.002 ( 0.000 -0.723 -0.000) 0.723 1.002 ( 0.000 0.723 0.000) 0.723 1.033 ( 0.000 -4.192 -0.000) 4.192 1.033 ( 0.000 4.192 0.000) 4.192 1.053 ( 0.000 -1.843 0.000) 1.843 1.053 ( -0.000 1.843 -0.000) 1.843 1.130 ( -0.000 -0.970 0.000) 0.970 1.130 ( 0.000 0.970 -0.000) 0.970 1.143 ( 0.000 -0.637 0.000) 0.637 1.143 ( 0.000 0.637 -0.000) 0.637 1.177 ( 0.000 -1.816 -0.000) 1.816 1.177 ( 0.000 1.816 0.000) 1.816 1.210 ( 0.000 -1.247 -0.000) 1.247 1.210 ( 0.000 1.247 -0.000) 1.247 1.285 ( 0.000 -0.383 -0.000) 0.383 1.285 ( -0.000 0.383 0.000) 0.383 1.306 ( -0.000 -2.008 -0.000) 2.008 1.306 ( 0.000 2.008 -0.000) 2.008 1.314 ( 0.000 -0.805 0.000) 0.805 1.314 ( 0.000 0.805 -0.000) 0.805 1.343 ( 0.000 -0.130 -0.000) 0.130 1.343 ( -0.000 0.130 0.000) 0.130 1.423 ( 0.000 -0.153 -0.000) 0.153 1.423 ( 0.000 0.153 0.000) 0.153 1.445 ( 0.000 -2.500 0.000) 2.500 1.445 ( -0.000 2.500 0.000) 2.500 1.476 ( -0.000 -1.644 -0.000) 1.644 1.476 ( 0.000 1.644 -0.000) 1.644 1.491 ( 0.000 -1.031 -0.000) 1.031 1.491 ( 0.000 1.031 0.000) 1.031 1.506 ( 0.000 -0.401 0.000) 0.401 1.506 ( 0.000 0.401 0.000) 0.401 1.570 ( 0.000 -0.269 -0.000) 0.269 1.570 ( 0.000 0.269 -0.000) 0.269 1.615 ( 0.000 -1.219 0.000) 1.219 1.615 ( 0.000 1.219 0.000) 1.219 1.653 ( 0.000 -0.110 0.000) 0.110 1.653 ( 0.000 0.110 0.000) 0.110 1.687 ( 0.000 -1.503 0.000) 1.503 1.687 ( 0.000 1.503 0.000) 1.503 1.707 ( 0.000 -0.662 -0.000) 0.662 1.707 ( 0.000 0.662 -0.000) 0.662 1.767 ( 0.000 -0.967 -0.000) 0.967 1.767 ( 0.000 0.967 0.000) 0.967 1.811 ( 0.000 -1.317 -0.000) 1.317 1.811 ( 0.000 1.317 -0.000) 1.317 1.833 ( 0.000 -1.008 0.000) 1.008 1.833 ( 0.000 1.008 0.000) 1.008 1.887 ( 0.000 -0.249 -0.000) 0.249 1.887 ( 0.000 0.249 0.000) 0.249 1.910 ( 0.000 -1.497 0.000) 1.497 1.910 ( 0.000 1.497 -0.000) 1.497 1.937 ( 0.000 -1.372 0.000) 1.372 1.937 ( 0.000 1.372 -0.000) 1.372 1.995 ( 0.000 -0.564 0.000) 0.564 1.995 ( 0.000 0.564 0.000) 0.564 2.037 ( -0.000 -0.266 -0.000) 0.266 2.037 ( 0.000 0.266 -0.000) 0.266 2.061 ( 0.000 -2.495 0.000) 2.495 2.061 ( 0.000 2.495 -0.000) 2.495 2.186 ( 0.000 -0.319 -0.000) 0.319 2.186 ( 0.000 0.319 0.000) 0.319 2.289 ( 0.000 -0.518 -0.000) 0.518 2.289 ( 0.000 0.518 0.000) 0.518 2.567 ( 0.000 -0.663 -0.000) 0.663 2.567 ( 0.000 0.663 0.000) 0.663 2.724 ( 0.000 -0.164 -0.000) 0.164 2.724 ( 0.000 0.164 0.000) 0.164 2.845 ( 0.000 -0.553 -0.000) 0.553 2.845 ( 0.000 0.553 0.000) 0.553 2.917 ( 0.000 -0.943 -0.000) 0.943 2.917 ( 0.000 0.943 0.000) 0.943 2.991 ( 0.000 -0.782 -0.000) 0.782 2.991 ( -0.000 0.782 0.000) 0.782 3.212 ( 0.000 -0.203 -0.000) 0.203 3.212 ( 0.000 0.203 -0.000) 0.203 3.312 ( 0.000 -1.261 0.000) 1.261 3.312 ( 0.000 1.261 0.000) 1.261 3.447 ( 0.000 -0.018 -0.000) 0.018 3.447 ( 0.000 0.018 0.000) 0.018 3.486 ( 0.000 -2.044 0.000) 2.044 3.486 ( 0.000 2.044 -0.000) 2.044 3.648 ( -0.000 -0.942 0.000) 0.942 3.648 ( 0.000 0.942 0.000) 0.942 3.720 ( 0.000 -1.019 -0.000) 1.019 3.720 ( 0.000 1.019 0.000) 1.019 3.803 ( 0.000 -1.713 -0.000) 1.713 3.803 ( 0.000 1.713 0.000) 1.713 3.850 ( 0.000 -3.058 0.000) 3.058 3.850 ( 0.000 3.058 0.000) 3.058 ======================= Grid point 35 (13/40) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.136 ( 5.018 0.000 7.756) 9.237 0.234 ( -0.584 0.000 11.490) 11.505 0.372 ( -0.260 0.000 -1.168) 1.196 0.376 ( -2.963 0.000 14.524) 14.823 0.393 ( -1.384 0.000 3.550) 3.810 0.483 ( -0.999 0.000 -3.033) 3.193 0.505 ( 2.238 0.000 1.312) 2.594 0.516 ( -2.973 0.000 -1.339) 3.261 0.532 ( 0.703 0.000 -1.684) 1.825 0.593 ( 0.426 0.000 -1.838) 1.886 0.607 ( 2.164 0.000 0.726) 2.283 0.639 ( -0.558 0.000 -0.656) 0.861 0.656 ( -0.990 0.000 -0.269) 1.026 0.668 ( 0.729 0.000 0.034) 0.730 0.675 ( -2.290 0.000 4.976) 5.477 0.684 ( 0.844 0.000 0.736) 1.120 0.717 ( -3.072 0.000 -1.208) 3.301 0.723 ( -0.500 0.000 0.244) 0.557 0.767 ( 0.845 0.000 0.006) 0.845 0.778 ( 0.616 0.000 1.340) 1.474 0.808 ( -0.159 0.000 0.915) 0.929 0.823 ( 2.130 0.000 -2.091) 2.984 0.861 ( 0.686 0.000 -0.671) 0.959 0.875 ( -0.029 0.000 -1.618) 1.618 0.876 ( 0.039 0.000 -0.478) 0.479 0.892 ( 1.227 0.000 0.393) 1.288 0.912 ( 0.587 0.000 -1.235) 1.367 0.915 ( -0.893 0.000 1.011) 1.349 0.977 ( 3.747 0.000 1.655) 4.096 1.001 ( -1.085 0.000 -0.615) 1.248 1.021 ( 1.084 0.000 -3.168) 3.348 1.030 ( 0.140 0.000 -1.646) 1.652 1.040 ( -1.146 0.000 -0.319) 1.189 1.062 ( -0.085 0.000 0.236) 0.250 1.062 ( 1.294 0.000 -3.698) 3.917 1.085 ( -0.530 0.000 1.143) 1.260 1.102 ( 0.285 0.000 -1.104) 1.140 1.137 ( 2.169 0.000 -1.885) 2.873 1.149 ( -1.367 0.000 1.724) 2.200 1.176 ( 0.153 0.000 0.674) 0.691 1.186 ( -0.656 0.000 1.601) 1.730 1.199 ( -0.200 0.000 -0.772) 0.798 1.226 ( 0.271 0.000 0.112) 0.293 1.234 ( 0.081 0.000 1.255) 1.258 1.240 ( 0.306 0.000 -0.412) 0.513 1.258 ( -0.427 0.000 0.114) 0.442 1.268 ( 1.338 0.000 -0.930) 1.630 1.291 ( 0.438 0.000 0.387) 0.584 1.318 ( 0.170 0.000 -1.099) 1.112 1.336 ( 0.255 0.000 -2.176) 2.191 1.354 ( -0.448 0.000 0.830) 0.943 1.372 ( -0.983 0.000 -0.320) 1.033 1.391 ( -0.127 0.000 0.460) 0.477 1.395 ( -0.692 0.000 0.768) 1.034 1.416 ( -2.551 0.000 0.372) 2.578 1.422 ( 1.525 0.000 0.347) 1.564 1.469 ( 0.083 0.000 0.593) 0.598 1.478 ( 1.397 0.000 1.603) 2.126 1.486 ( -1.064 0.000 0.410) 1.140 1.507 ( -0.242 0.000 -0.852) 0.886 1.513 ( -0.621 0.000 -1.149) 1.306 1.534 ( 0.701 0.000 0.428) 0.821 1.549 ( 0.753 0.000 -0.469) 0.887 1.582 ( 0.090 0.000 -0.720) 0.726 1.590 ( -0.027 0.000 -0.076) 0.081 1.604 ( -0.918 0.000 -2.311) 2.487 1.678 ( 1.173 0.000 0.221) 1.193 1.704 ( -0.050 0.000 1.143) 1.144 1.706 ( -2.452 0.000 -1.057) 2.670 1.731 ( -1.914 0.000 0.619) 2.011 1.733 ( -1.243 0.000 -0.586) 1.374 1.756 ( 1.407 0.000 0.036) 1.408 1.794 ( 2.593 0.000 0.782) 2.708 1.802 ( 1.369 0.000 0.917) 1.648 1.829 ( -1.037 0.000 1.910) 2.173 1.850 ( 0.053 0.000 1.483) 1.484 1.851 ( -1.881 0.000 -0.537) 1.956 1.869 ( 1.659 0.000 1.284) 2.097 1.880 ( -0.397 0.000 0.513) 0.648 1.910 ( -1.570 0.000 -1.104) 1.919 1.918 ( 0.613 0.000 -0.706) 0.935 1.922 ( 0.182 0.000 -0.513) 0.545 1.940 ( -3.027 0.000 0.287) 3.041 1.949 ( 2.396 0.000 -0.634) 2.479 1.981 ( 0.223 0.000 1.105) 1.127 1.986 ( -0.647 0.000 -3.179) 3.244 2.000 ( 0.303 0.000 -1.273) 1.308 2.046 ( 1.071 0.000 -0.768) 1.318 2.107 ( 0.618 0.000 0.556) 0.831 2.111 ( -0.879 0.000 0.469) 0.996 2.188 ( 2.215 0.000 0.824) 2.363 2.195 ( -1.649 0.000 0.210) 1.663 2.243 ( -1.352 0.000 -0.417) 1.415 2.244 ( -2.212 0.000 -0.151) 2.217 2.547 ( -0.073 0.000 0.877) 0.880 2.588 ( 0.124 0.000 -0.816) 0.825 2.755 ( -0.344 0.000 1.017) 1.074 2.792 ( 1.635 0.000 -0.755) 1.801 2.825 ( 1.524 0.000 0.696) 1.675 2.854 ( -0.290 0.000 -0.665) 0.726 2.920 ( 0.094 0.000 0.625) 0.632 2.951 ( 0.064 0.000 -0.711) 0.714 3.004 ( -0.004 0.000 0.390) 0.390 3.033 ( 0.241 0.000 -0.609) 0.655 3.169 ( -1.188 0.000 -0.303) 1.226 3.195 ( 7.454 0.000 -0.842) 7.501 3.213 ( 1.311 0.000 0.718) 1.494 3.220 ( -2.431 0.000 0.493) 2.480 3.339 ( -2.509 0.000 1.315) 2.833 3.352 ( 0.089 0.000 -0.062) 0.108 3.365 ( 2.058 0.000 0.350) 2.087 3.382 ( 1.697 0.000 -0.220) 1.711 3.590 ( -0.688 0.000 0.479) 0.839 3.625 ( -4.590 0.000 -1.103) 4.721 3.688 ( -1.992 0.000 2.701) 3.356 3.690 ( 0.015 0.000 0.600) 0.601 3.725 ( 1.007 0.000 1.387) 1.714 3.929 ( -0.489 0.000 -4.190) 4.218 3.962 ( -2.664 0.000 -0.328) 2.684 3.964 ( 0.912 0.000 -0.121) 0.920 ======================= Grid point 36 (14/40) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.307 ( 1.560 0.000 7.097) 7.267 0.317 ( 6.676 0.000 5.440) 8.611 0.336 ( -2.360 0.000 6.060) 6.503 0.359 ( 0.379 0.000 -2.643) 2.670 0.431 ( -0.634 0.000 -0.061) 0.637 0.472 ( 1.315 0.000 6.665) 6.793 0.506 ( 1.139 0.000 -0.182) 1.154 0.526 ( -0.547 0.000 -1.386) 1.489 0.557 ( 0.458 0.000 -2.384) 2.428 0.580 ( -1.254 0.000 -0.606) 1.393 0.598 ( 1.406 0.000 6.610) 6.758 0.626 ( -3.459 0.000 -2.246) 4.124 0.631 ( -0.755 0.000 2.985) 3.079 0.658 ( 0.128 0.000 0.772) 0.783 0.680 ( -1.094 0.000 0.183) 1.109 0.692 ( -0.031 0.000 0.098) 0.103 0.692 ( 0.990 0.000 -1.208) 1.562 0.743 ( 2.047 0.000 1.004) 2.280 0.784 ( -0.168 0.000 -0.184) 0.249 0.791 ( 1.630 0.000 -1.146) 1.992 0.792 ( -3.093 0.000 0.584) 3.148 0.837 ( 0.874 0.000 -1.234) 1.513 0.854 ( -0.258 0.000 -1.798) 1.816 0.864 ( -0.137 0.000 -0.165) 0.214 0.889 ( -1.459 0.000 0.605) 1.579 0.891 ( 0.872 0.000 -1.421) 1.667 0.915 ( 0.547 0.000 -0.949) 1.095 0.931 ( 0.130 0.000 -0.004) 0.130 0.972 ( -0.738 0.000 -1.232) 1.435 0.996 ( -2.204 0.000 1.479) 2.654 1.015 ( 1.190 0.000 -5.455) 5.584 1.022 ( -0.371 0.000 0.317) 0.488 1.046 ( 1.974 0.000 -1.482) 2.468 1.059 ( -0.133 0.000 -0.407) 0.428 1.076 ( 1.165 0.000 -3.639) 3.821 1.097 ( 2.423 0.000 0.818) 2.557 1.099 ( -0.448 0.000 -1.516) 1.581 1.131 ( -1.601 0.000 1.891) 2.477 1.145 ( -3.112 0.000 -1.125) 3.309 1.159 ( -1.950 0.000 1.801) 2.655 1.171 ( 1.472 0.000 -0.752) 1.653 1.183 ( -0.879 0.000 0.138) 0.889 1.214 ( -1.758 0.000 0.415) 1.806 1.227 ( -0.544 0.000 -0.041) 0.546 1.233 ( -0.388 0.000 -0.346) 0.520 1.251 ( -0.639 0.000 1.631) 1.751 1.284 ( 1.529 0.000 -2.661) 3.069 1.313 ( 0.072 0.000 0.367) 0.374 1.327 ( 1.337 0.000 -0.239) 1.358 1.330 ( -2.487 0.000 1.293) 2.803 1.331 ( 1.172 0.000 -1.828) 2.171 1.365 ( 1.009 0.000 -0.043) 1.010 1.379 ( -0.607 0.000 0.644) 0.885 1.395 ( -0.640 0.000 1.323) 1.469 1.420 ( 1.267 0.000 -0.195) 1.282 1.437 ( -0.233 0.000 0.181) 0.295 1.463 ( -0.624 0.000 1.490) 1.615 1.484 ( 0.821 0.000 1.000) 1.294 1.497 ( -0.204 0.000 -0.299) 0.362 1.502 ( 0.410 0.000 -0.379) 0.559 1.525 ( 0.802 0.000 1.494) 1.696 1.525 ( -0.785 0.000 -0.532) 0.948 1.543 ( -0.781 0.000 -0.604) 0.988 1.567 ( -1.715 0.000 0.483) 1.782 1.581 ( -0.304 0.000 0.208) 0.368 1.584 ( 0.055 0.000 -2.973) 2.973 1.641 ( -2.190 0.000 0.621) 2.276 1.678 ( -1.271 0.000 1.235) 1.772 1.699 ( -0.259 0.000 -0.330) 0.419 1.734 ( 0.501 0.000 2.772) 2.817 1.734 ( 0.689 0.000 0.391) 0.793 1.765 ( 0.316 0.000 -0.116) 0.336 1.797 ( -2.299 0.000 -0.428) 2.338 1.799 ( -1.018 0.000 -1.796) 2.064 1.828 ( 0.382 0.000 2.859) 2.885 1.843 ( 0.208 0.000 1.562) 1.576 1.856 ( 0.324 0.000 0.507) 0.602 1.876 ( -0.393 0.000 -0.616) 0.730 1.879 ( -0.921 0.000 -1.043) 1.391 1.907 ( 1.060 0.000 -0.015) 1.060 1.911 ( -0.290 0.000 2.146) 2.166 1.925 ( 0.404 0.000 -0.384) 0.557 1.934 ( 1.039 0.000 0.740) 1.275 1.965 ( 0.071 0.000 1.525) 1.527 1.978 ( 1.426 0.000 -1.427) 2.018 1.990 ( -0.274 0.000 -1.799) 1.820 2.037 ( 3.186 0.000 -4.021) 5.130 2.065 ( 1.295 0.000 -1.585) 2.047 2.103 ( -0.211 0.000 0.570) 0.608 2.130 ( 1.498 0.000 1.018) 1.811 2.155 ( -1.426 0.000 0.018) 1.426 2.191 ( -2.743 0.000 0.969) 2.909 2.231 ( -0.777 0.000 1.514) 1.701 2.251 ( 2.455 0.000 0.130) 2.459 2.557 ( 0.490 0.000 0.871) 0.999 2.593 ( 0.739 0.000 -0.898) 1.163 2.744 ( -0.976 0.000 0.452) 1.075 2.797 ( -0.045 0.000 -0.948) 0.949 2.840 ( -0.218 0.000 0.146) 0.263 2.843 ( -0.323 0.000 -0.608) 0.688 2.927 ( 0.332 0.000 0.718) 0.791 2.951 ( 0.336 0.000 -0.882) 0.944 2.976 ( -2.278 0.000 0.867) 2.437 3.027 ( -0.352 0.000 -0.767) 0.844 3.143 ( -0.652 0.000 -1.210) 1.374 3.176 ( -2.321 0.000 -0.441) 2.362 3.246 ( 1.019 0.000 1.622) 1.916 3.275 ( 2.561 0.000 -0.951) 2.732 3.304 ( -1.512 0.000 1.231) 1.949 3.342 ( -0.764 0.000 -0.089) 0.769 3.410 ( 1.755 0.000 0.762) 1.913 3.417 ( -0.020 0.000 1.401) 1.401 3.601 ( 1.585 0.000 0.436) 1.644 3.616 ( 2.561 0.000 -0.335) 2.583 3.667 ( -1.154 0.000 1.623) 1.991 3.696 ( 0.257 0.000 1.098) 1.128 3.761 ( 1.884 0.000 1.855) 2.644 3.901 ( 0.737 0.000 -3.859) 3.929 3.942 ( -3.411 0.000 0.570) 3.458 3.948 ( 0.729 0.000 -2.750) 2.845 ======================= Grid point 37 (15/40) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( -4.467 0.000 10.008) 10.960 0.329 ( -2.556 0.000 4.991) 5.607 0.392 ( 3.415 0.000 1.146) 3.602 0.429 ( 1.145 0.000 3.516) 3.698 0.436 ( -1.865 0.000 0.248) 1.881 0.485 ( -2.888 0.000 1.349) 3.188 0.494 ( 1.381 0.000 -1.346) 1.928 0.522 ( 1.687 0.000 2.139) 2.724 0.556 ( 0.339 0.000 -1.660) 1.694 0.575 ( 1.319 0.000 -0.637) 1.465 0.601 ( 1.836 0.000 -1.111) 2.146 0.613 ( -7.528 0.000 0.798) 7.570 0.635 ( 0.253 0.000 3.038) 3.049 0.654 ( -0.961 0.000 0.235) 0.989 0.660 ( 1.044 0.000 0.794) 1.312 0.690 ( 0.010 0.000 -0.842) 0.842 0.709 ( -1.856 0.000 -0.565) 1.940 0.735 ( 2.218 0.000 2.424) 3.286 0.779 ( -0.421 0.000 0.606) 0.738 0.780 ( 0.742 0.000 0.978) 1.228 0.803 ( 0.483 0.000 -1.920) 1.980 0.820 ( -1.325 0.000 -2.864) 3.156 0.859 ( -0.084 0.000 0.076) 0.114 0.861 ( 0.676 0.000 -0.115) 0.686 0.884 ( 0.062 0.000 -0.783) 0.786 0.886 ( 0.273 0.000 1.456) 1.481 0.929 ( 1.042 0.000 -0.174) 1.056 0.935 ( 1.233 0.000 -2.652) 2.925 0.962 ( -1.764 0.000 0.965) 2.011 0.965 ( 0.890 0.000 -0.674) 1.116 0.992 ( -2.489 0.000 -1.772) 3.056 1.020 ( 1.004 0.000 -3.299) 3.448 1.057 ( -0.184 0.000 -4.047) 4.051 1.065 ( -1.104 0.000 1.533) 1.890 1.069 ( -0.435 0.000 -0.235) 0.495 1.090 ( 0.524 0.000 1.615) 1.698 1.092 ( 2.415 0.000 -3.761) 4.470 1.128 ( -0.094 0.000 -0.079) 0.123 1.136 ( -1.130 0.000 0.799) 1.384 1.151 ( 2.379 0.000 0.354) 2.405 1.164 ( -0.052 0.000 -0.938) 0.939 1.183 ( -0.293 0.000 -1.234) 1.268 1.197 ( -0.423 0.000 0.894) 0.990 1.222 ( -0.112 0.000 0.814) 0.821 1.234 ( 0.153 0.000 0.131) 0.201 1.248 ( -0.222 0.000 1.088) 1.110 1.300 ( 0.738 0.000 -2.586) 2.689 1.304 ( -0.786 0.000 1.636) 1.815 1.317 ( -0.036 0.000 -2.209) 2.209 1.327 ( 0.753 0.000 1.306) 1.508 1.344 ( -1.168 0.000 -0.977) 1.523 1.365 ( -0.296 0.000 -0.385) 0.486 1.382 ( 0.982 0.000 -0.113) 0.989 1.391 ( 0.685 0.000 -0.813) 1.063 1.422 ( -1.012 0.000 0.246) 1.041 1.438 ( 0.195 0.000 0.178) 0.264 1.471 ( 0.506 0.000 1.222) 1.323 1.485 ( -0.642 0.000 -0.108) 0.651 1.486 ( -0.267 0.000 -0.040) 0.270 1.505 ( -1.581 0.000 -0.479) 1.652 1.516 ( -0.589 0.000 -0.280) 0.653 1.528 ( 0.607 0.000 0.954) 1.131 1.540 ( 0.435 0.000 -0.981) 1.073 1.541 ( -0.144 0.000 1.509) 1.515 1.591 ( -0.113 0.000 1.454) 1.458 1.596 ( 2.174 0.000 0.184) 2.181 1.614 ( -0.594 0.000 -0.164) 0.616 1.674 ( 0.027 0.000 1.952) 1.952 1.681 ( -1.231 0.000 -1.001) 1.587 1.748 ( -0.542 0.000 -0.971) 1.111 1.753 ( 0.096 0.000 2.563) 2.565 1.762 ( 0.035 0.000 0.590) 0.591 1.776 ( 0.459 0.000 1.069) 1.163 1.779 ( -0.094 0.000 -1.917) 1.919 1.841 ( -0.280 0.000 0.347) 0.446 1.841 ( -0.300 0.000 0.354) 0.464 1.855 ( -0.863 0.000 0.880) 1.232 1.873 ( 0.648 0.000 1.671) 1.792 1.887 ( 1.277 0.000 0.529) 1.382 1.910 ( -0.603 0.000 0.598) 0.849 1.920 ( -0.491 0.000 -1.075) 1.181 1.930 ( 0.880 0.000 1.089) 1.400 1.951 ( -0.341 0.000 1.667) 1.702 1.968 ( -0.385 0.000 0.477) 0.613 1.973 ( -0.294 0.000 -1.038) 1.079 2.015 ( 2.080 0.000 -1.275) 2.440 2.052 ( 0.765 0.000 -3.097) 3.190 2.069 ( -0.173 0.000 -2.440) 2.446 2.112 ( 0.826 0.000 1.471) 1.687 2.139 ( -0.649 0.000 -0.483) 0.809 2.148 ( -1.750 0.000 0.714) 1.890 2.173 ( 1.948 0.000 0.323) 1.974 2.223 ( -0.324 0.000 2.625) 2.645 2.277 ( -0.055 0.000 -0.001) 0.055 2.565 ( -0.290 0.000 0.826) 0.875 2.602 ( 0.433 0.000 -0.714) 0.835 2.735 ( -0.003 0.000 0.485) 0.485 2.786 ( -0.410 0.000 -1.906) 1.950 2.827 ( -1.068 0.000 0.313) 1.113 2.841 ( 0.416 0.000 -0.288) 0.506 2.932 ( -0.716 0.000 0.367) 0.805 2.954 ( 0.070 0.000 1.316) 1.318 2.955 ( 0.440 0.000 -0.741) 0.862 3.019 ( 0.150 0.000 -1.205) 1.214 3.138 ( 0.708 0.000 -1.004) 1.229 3.139 ( -1.282 0.000 -0.732) 1.477 3.249 ( -1.618 0.000 2.078) 2.634 3.301 ( -0.226 0.000 0.388) 0.449 3.306 ( 0.821 0.000 1.117) 1.386 3.338 ( 0.864 0.000 -0.766) 1.155 3.406 ( -1.910 0.000 2.473) 3.125 3.421 ( -1.072 0.000 1.226) 1.629 3.636 ( 0.849 0.000 0.442) 0.957 3.646 ( 1.021 0.000 -0.667) 1.219 3.660 ( -0.343 0.000 2.304) 2.330 3.713 ( 0.601 0.000 1.243) 1.381 3.803 ( 0.181 0.000 -0.178) 0.254 3.871 ( -1.873 0.000 0.833) 2.050 3.915 ( 2.771 0.000 -4.891) 5.621 3.952 ( 1.281 0.000 -2.953) 3.218 ======================= Grid point 38 (16/40) ======================= q-point: (-0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.232 ( -9.371 0.000 2.634) 9.734 0.256 ( -6.423 0.000 8.486) 10.643 0.364 ( -6.975 0.000 10.966) 12.997 0.394 ( -1.784 0.000 -0.269) 1.804 0.451 ( -2.414 0.000 1.535) 2.861 0.477 ( -0.860 0.000 2.249) 2.408 0.489 ( 3.829 0.000 0.810) 3.914 0.527 ( -0.941 0.000 -0.532) 1.081 0.535 ( 0.219 0.000 -1.215) 1.234 0.581 ( 0.747 0.000 -0.905) 1.173 0.605 ( 1.123 0.000 -0.521) 1.238 0.636 ( 1.040 0.000 -0.866) 1.353 0.649 ( 0.330 0.000 0.555) 0.646 0.666 ( -1.553 0.000 -0.200) 1.566 0.678 ( 0.697 0.000 -0.201) 0.726 0.694 ( 0.622 0.000 -0.003) 0.622 0.706 ( 4.018 0.000 1.385) 4.250 0.757 ( -0.126 0.000 1.714) 1.719 0.767 ( -2.868 0.000 3.275) 4.353 0.778 ( -1.932 0.000 -1.269) 2.312 0.799 ( 1.103 0.000 -0.335) 1.153 0.800 ( 0.650 0.000 -2.663) 2.741 0.855 ( -0.078 0.000 -1.018) 1.021 0.868 ( 0.136 0.000 -0.174) 0.221 0.893 ( 0.583 0.000 0.100) 0.592 0.895 ( 0.400 0.000 -0.989) 1.067 0.912 ( -1.108 0.000 1.050) 1.526 0.918 ( -0.909 0.000 -2.288) 2.462 0.933 ( -0.419 0.000 -0.083) 0.427 0.998 ( 2.077 0.000 -0.620) 2.167 1.009 ( -0.202 0.000 -0.601) 0.634 1.023 ( 3.127 0.000 1.565) 3.497 1.045 ( -0.749 0.000 -1.659) 1.820 1.055 ( -0.373 0.000 0.225) 0.436 1.062 ( 2.001 0.000 -5.758) 6.096 1.093 ( -0.968 0.000 1.522) 1.803 1.118 ( 0.467 0.000 -1.768) 1.829 1.125 ( -0.560 0.000 -0.109) 0.571 1.144 ( 0.832 0.000 2.717) 2.841 1.156 ( 0.569 0.000 -2.262) 2.332 1.183 ( -1.035 0.000 0.853) 1.341 1.186 ( 1.782 0.000 -0.918) 2.005 1.201 ( 2.306 0.000 -0.090) 2.308 1.235 ( 0.179 0.000 0.406) 0.444 1.239 ( 0.863 0.000 1.989) 2.168 1.245 ( -0.555 0.000 0.411) 0.691 1.262 ( -1.151 0.000 -1.923) 2.241 1.311 ( 0.538 0.000 0.262) 0.598 1.312 ( -1.665 0.000 -0.305) 1.693 1.337 ( 1.287 0.000 -2.038) 2.411 1.355 ( 1.585 0.000 0.946) 1.846 1.363 ( -0.305 0.000 -0.210) 0.371 1.388 ( 0.520 0.000 -0.266) 0.584 1.405 ( 0.272 0.000 0.132) 0.303 1.407 ( -0.757 0.000 -0.315) 0.820 1.441 ( 1.156 0.000 -0.004) 1.156 1.470 ( -1.093 0.000 0.696) 1.296 1.477 ( -0.956 0.000 -0.179) 0.973 1.477 ( -0.540 0.000 0.927) 1.073 1.501 ( 1.587 0.000 0.319) 1.618 1.519 ( -0.387 0.000 -0.432) 0.580 1.523 ( 0.992 0.000 -0.093) 0.996 1.542 ( -0.459 0.000 0.734) 0.866 1.569 ( 1.468 0.000 -0.451) 1.536 1.585 ( -0.125 0.000 0.172) 0.212 1.631 ( 0.021 0.000 -0.611) 0.611 1.637 ( 2.765 0.000 4.055) 4.908 1.659 ( 0.402 0.000 -0.819) 0.913 1.691 ( 0.462 0.000 2.214) 2.261 1.728 ( -0.659 0.000 -0.163) 0.678 1.761 ( -0.927 0.000 1.521) 1.782 1.762 ( 0.180 0.000 -1.634) 1.644 1.774 ( 0.776 0.000 -0.683) 1.034 1.798 ( -0.226 0.000 0.569) 0.613 1.830 ( 0.071 0.000 0.975) 0.977 1.839 ( 0.489 0.000 0.449) 0.664 1.860 ( -0.523 0.000 2.210) 2.271 1.888 ( -1.045 0.000 -0.583) 1.197 1.893 ( -1.447 0.000 -1.029) 1.776 1.901 ( 0.501 0.000 1.956) 2.019 1.915 ( 0.565 0.000 0.560) 0.796 1.930 ( -1.215 0.000 0.208) 1.233 1.936 ( -0.722 0.000 0.287) 0.777 1.962 ( -0.454 0.000 -0.017) 0.454 1.977 ( 1.472 0.000 -1.136) 1.860 2.025 ( -0.651 0.000 -2.408) 2.494 2.039 ( -1.403 0.000 -2.445) 2.819 2.044 ( -0.492 0.000 -1.354) 1.440 2.114 ( -1.375 0.000 -0.451) 1.447 2.127 ( -1.066 0.000 1.276) 1.663 2.147 ( 1.865 0.000 0.175) 1.874 2.191 ( 0.782 0.000 -0.031) 0.783 2.261 ( 1.668 0.000 1.966) 2.579 2.264 ( -0.839 0.000 -0.219) 0.867 2.554 ( -0.996 0.000 0.687) 1.210 2.597 ( -0.474 0.000 -0.751) 0.889 2.746 ( 0.560 0.000 0.999) 1.145 2.766 ( -0.336 0.000 -1.327) 1.369 2.813 ( -0.426 0.000 0.728) 0.844 2.853 ( 0.655 0.000 -0.222) 0.691 2.920 ( -0.426 0.000 0.435) 0.609 2.955 ( -0.078 0.000 -0.625) 0.630 2.975 ( 1.153 0.000 1.545) 1.928 3.024 ( 0.917 0.000 -1.131) 1.456 3.126 ( 0.463 0.000 -0.385) 0.602 3.159 ( 1.620 0.000 -0.287) 1.645 3.222 ( -1.907 0.000 1.216) 2.261 3.271 ( -2.902 0.000 0.814) 3.014 3.329 ( 0.952 0.000 1.403) 1.695 3.353 ( 0.406 0.000 -0.107) 0.420 3.379 ( -1.258 0.000 0.876) 1.533 3.389 ( -2.624 0.000 0.807) 2.746 3.618 ( -2.100 0.000 0.542) 2.169 3.661 ( 1.013 0.000 -1.104) 1.498 3.684 ( 0.576 0.000 3.543) 3.589 3.714 ( -0.904 0.000 -1.281) 1.568 3.744 ( -3.246 0.000 -0.174) 3.251 3.918 ( 3.760 0.000 -0.494) 3.792 3.935 ( 1.416 0.000 -4.325) 4.551 3.981 ( 2.602 0.000 -2.018) 3.293 ======================= Grid point 39 (17/40) ======================= q-point: ( 0.00 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.212 ( -1.713 4.211 5.719) 7.306 0.240 ( 4.321 7.139 5.586) 10.042 0.381 ( -0.814 1.320 -0.849) 1.768 0.404 ( -2.027 1.146 0.769) 2.453 0.458 ( 0.698 -2.033 0.078) 2.151 0.481 ( -0.818 -0.355 -1.152) 1.457 0.508 ( -1.371 0.145 0.641) 1.520 0.517 ( -1.158 5.504 5.664) 7.982 0.536 ( -0.151 -0.050 -1.660) 1.667 0.585 ( 1.921 0.747 2.838) 3.508 0.611 ( 1.846 0.071 0.556) 1.930 0.624 ( -1.486 -1.069 -1.892) 2.633 0.640 ( 0.325 -0.667 1.062) 1.295 0.657 ( -1.590 0.531 2.049) 2.647 0.698 ( -1.026 -0.472 -0.107) 1.134 0.704 ( 0.156 0.874 1.735) 1.949 0.718 ( 0.112 1.640 0.262) 1.665 0.722 ( -1.495 0.167 0.204) 1.518 0.760 ( 0.403 -1.679 1.882) 2.554 0.779 ( -0.192 1.076 0.416) 1.170 0.807 ( -1.018 0.299 -0.505) 1.175 0.819 ( 2.166 -0.530 -2.000) 2.995 0.846 ( 0.482 -1.818 -0.612) 1.978 0.861 ( -0.725 -1.081 -0.657) 1.458 0.866 ( 0.623 -1.294 -0.681) 1.590 0.886 ( 0.359 0.361 0.879) 1.016 0.902 ( 1.002 -0.875 0.205) 1.346 0.911 ( -0.155 0.026 0.663) 0.681 0.965 ( 3.161 -0.661 0.550) 3.276 0.977 ( -1.933 -2.108 -0.040) 2.860 1.013 ( -0.089 -1.335 0.080) 1.340 1.042 ( -0.324 -0.275 -0.763) 0.873 1.048 ( 0.097 0.053 0.341) 0.359 1.069 ( 1.701 0.365 -0.968) 1.991 1.076 ( 0.026 0.851 -1.375) 1.617 1.089 ( 0.316 1.208 -1.614) 2.040 1.103 ( 0.535 -0.338 -0.503) 0.808 1.112 ( 0.888 -1.701 -2.188) 2.910 1.144 ( -1.154 -0.746 0.972) 1.683 1.158 ( -1.073 0.572 -0.398) 1.279 1.183 ( 0.130 -0.019 -0.444) 0.463 1.215 ( 0.021 -0.405 -0.142) 0.430 1.220 ( 0.692 0.495 1.429) 1.662 1.229 ( -0.341 -0.249 0.672) 0.794 1.254 ( 0.142 0.666 1.383) 1.542 1.265 ( 0.778 -0.169 -0.257) 0.837 1.282 ( 0.035 0.971 -1.377) 1.685 1.291 ( -0.337 -0.454 0.421) 0.705 1.303 ( -0.607 -1.122 -0.135) 1.283 1.333 ( 0.081 0.236 -1.066) 1.095 1.352 ( -0.205 0.040 0.604) 0.639 1.382 ( -0.929 0.863 -1.082) 1.667 1.385 ( 0.538 -0.408 0.101) 0.683 1.413 ( 0.003 0.249 0.086) 0.263 1.429 ( -1.566 2.131 -0.275) 2.659 1.436 ( -0.077 0.978 0.292) 1.023 1.456 ( 0.512 -0.829 -0.436) 1.067 1.468 ( 1.241 -0.712 0.850) 1.665 1.488 ( -0.098 -0.115 0.349) 0.380 1.496 ( -0.973 -0.275 0.017) 1.011 1.504 ( 0.317 -2.083 0.862) 2.276 1.533 ( -0.077 1.082 -1.041) 1.504 1.556 ( 0.173 -0.127 0.332) 0.396 1.577 ( 0.957 -0.071 -1.119) 1.474 1.596 ( -0.664 0.371 -0.392) 0.856 1.619 ( -0.097 0.827 -1.387) 1.618 1.639 ( -0.350 -2.377 2.464) 3.441 1.683 ( 0.509 -0.026 1.390) 1.480 1.702 ( 0.223 -1.237 -0.787) 1.483 1.721 ( -1.715 -0.900 -0.087) 1.939 1.728 ( 1.442 -1.430 -1.067) 2.294 1.744 ( -1.255 -0.845 -0.270) 1.537 1.784 ( 1.017 -1.241 1.100) 1.945 1.806 ( -0.407 0.169 0.128) 0.459 1.820 ( -0.397 -1.271 0.162) 1.341 1.833 ( 0.227 -0.751 0.257) 0.825 1.850 ( -0.805 -0.124 1.992) 2.152 1.858 ( 0.996 -0.555 0.824) 1.407 1.878 ( 0.348 -0.414 0.675) 0.865 1.893 ( 0.488 -0.849 1.047) 1.434 1.907 ( -0.868 -0.991 -0.382) 1.372 1.916 ( 0.822 -0.552 1.090) 1.472 1.939 ( -1.103 -0.669 0.883) 1.563 1.950 ( -0.310 1.338 -0.495) 1.460 1.970 ( 0.676 0.880 -1.421) 1.803 1.992 ( -2.027 0.896 -2.237) 3.149 2.005 ( -0.257 0.230 -1.320) 1.364 2.031 ( 0.845 -1.120 -1.270) 1.892 2.104 ( 2.002 -0.437 1.492) 2.535 2.115 ( -0.931 -3.147 1.087) 3.457 2.158 ( 0.518 -0.298 -0.658) 0.889 2.174 ( -0.703 0.638 -0.962) 1.352 2.254 ( 1.077 2.142 1.125) 2.649 2.336 ( -2.519 1.300 -3.979) 4.885 2.558 ( -0.249 1.059 0.437) 1.172 2.590 ( 0.211 0.162 -0.731) 0.778 2.753 ( -0.219 -0.421 0.450) 0.654 2.773 ( 1.078 -1.788 -0.170) 2.095 2.821 ( 0.254 0.147 0.827) 0.877 2.849 ( -0.147 -0.492 -0.555) 0.756 2.924 ( -0.143 0.577 0.645) 0.877 2.950 ( 0.343 -0.142 -0.369) 0.523 2.992 ( 0.112 -0.553 1.116) 1.251 3.021 ( 0.650 -1.519 -0.180) 1.662 3.182 ( 2.194 0.939 0.864) 2.538 3.199 ( -0.088 1.705 -1.033) 1.995 3.238 ( 0.356 1.914 0.640) 2.049 3.269 ( -1.144 3.073 0.338) 3.296 3.342 ( -1.618 1.546 1.390) 2.634 3.377 ( -0.339 2.586 0.055) 2.608 3.390 ( 0.358 1.599 -0.093) 1.641 3.455 ( 5.759 4.374 -5.008) 8.796 3.591 ( -0.586 0.123 0.510) 0.786 3.619 ( -3.073 -0.575 -0.309) 3.141 3.686 ( -1.956 0.234 2.544) 3.217 3.720 ( 0.600 2.352 1.557) 2.884 3.736 ( 0.370 1.382 0.439) 1.497 3.896 ( -1.575 -3.044 -2.658) 4.337 3.929 ( -1.050 -2.666 -0.264) 2.878 3.941 ( 0.905 -2.204 -0.539) 2.442 ======================= Grid point 40 (18/40) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 3.104 0.667 6.478) 7.214 0.353 ( 2.072 2.873 3.168) 4.752 0.363 ( 2.253 2.361 1.745) 3.701 0.391 ( -0.479 2.359 -0.019) 2.407 0.432 ( -1.188 0.211 -0.212) 1.225 0.475 ( 0.049 -2.122 0.941) 2.322 0.504 ( -0.117 -0.615 -1.301) 1.444 0.515 ( -0.747 1.771 1.856) 2.672 0.543 ( 0.849 -1.320 -2.728) 3.147 0.561 ( -2.114 -1.409 -0.253) 2.553 0.615 ( -1.993 -1.654 0.783) 2.706 0.630 ( -0.560 0.063 0.994) 1.143 0.636 ( 0.494 -0.065 2.613) 2.660 0.649 ( -2.046 0.625 -1.265) 2.486 0.684 ( -1.459 0.430 0.537) 1.613 0.705 ( 0.465 1.200 3.030) 3.291 0.715 ( 1.176 4.074 3.046) 5.221 0.738 ( 1.038 -0.878 0.526) 1.457 0.771 ( -0.425 -1.478 0.510) 1.620 0.789 ( 0.408 0.430 -0.167) 0.616 0.793 ( 0.934 -0.314 -0.096) 0.990 0.815 ( -0.134 -1.251 -1.681) 2.100 0.841 ( -0.372 -0.895 -0.657) 1.171 0.864 ( -0.390 0.092 0.573) 0.699 0.874 ( 0.476 -1.131 -0.461) 1.311 0.889 ( 0.547 -0.353 -1.047) 1.232 0.915 ( 0.406 -0.229 -0.264) 0.536 0.923 ( -0.510 -0.212 0.505) 0.749 0.954 ( -0.234 -1.456 -0.416) 1.532 0.993 ( -1.236 -0.329 1.175) 1.737 1.013 ( 0.172 -0.747 -1.055) 1.304 1.029 ( -0.127 -0.838 -0.960) 1.281 1.038 ( -0.012 0.497 -1.932) 1.995 1.067 ( -0.853 -0.343 -0.309) 0.969 1.075 ( 0.490 -0.336 0.213) 0.631 1.085 ( 0.620 1.052 -3.328) 3.545 1.116 ( 0.380 -0.221 -0.040) 0.441 1.124 ( -0.010 -0.098 -0.411) 0.423 1.130 ( 0.239 -0.931 -2.236) 2.434 1.155 ( 0.746 -0.465 -0.705) 1.127 1.167 ( -1.195 0.455 1.472) 1.950 1.205 ( -0.730 1.079 -0.081) 1.305 1.221 ( -0.858 -0.490 0.804) 1.274 1.230 ( -0.349 0.770 0.127) 0.855 1.235 ( -1.130 0.819 -0.380) 1.446 1.267 ( 0.053 0.420 0.959) 1.048 1.282 ( 1.251 -1.120 -0.329) 1.711 1.302 ( 0.425 0.552 0.130) 0.709 1.315 ( 0.241 -0.634 0.068) 0.682 1.340 ( 1.119 0.286 -0.915) 1.473 1.353 ( -0.981 1.453 -0.708) 1.891 1.357 ( -0.117 -0.462 0.318) 0.573 1.397 ( -1.018 0.945 0.708) 1.559 1.403 ( 0.651 0.907 0.218) 1.138 1.411 ( 0.458 -0.074 -0.706) 0.844 1.439 ( -0.267 0.185 1.249) 1.290 1.466 ( -0.075 -0.999 -0.884) 1.336 1.472 ( -0.593 -0.021 1.242) 1.377 1.490 ( 0.829 0.429 0.683) 1.157 1.508 ( -0.459 -1.290 1.276) 1.872 1.518 ( 1.774 -0.497 0.173) 1.850 1.523 ( -0.030 0.389 -1.586) 1.634 1.541 ( -1.184 0.112 0.034) 1.190 1.571 ( -0.941 0.704 -0.259) 1.203 1.574 ( -0.885 0.348 -0.979) 1.365 1.605 ( -0.813 0.318 -0.157) 0.887 1.642 ( -0.109 0.622 1.045) 1.221 1.678 ( -0.919 -0.019 0.489) 1.041 1.696 ( -0.277 -0.179 -1.896) 1.924 1.718 ( 0.425 -1.052 1.708) 2.051 1.737 ( 0.435 -0.684 0.221) 0.840 1.747 ( 0.638 -1.867 -0.239) 1.987 1.785 ( -0.506 -1.903 -0.028) 1.969 1.791 ( -1.286 -0.850 0.966) 1.819 1.815 ( 0.126 -0.055 -0.070) 0.155 1.829 ( -0.766 -0.851 0.515) 1.256 1.860 ( 0.452 0.405 1.329) 1.461 1.881 ( -1.063 -0.517 -0.165) 1.193 1.884 ( 1.321 -0.400 0.839) 1.615 1.900 ( 0.756 -0.810 0.397) 1.177 1.912 ( -1.435 -0.724 0.654) 1.735 1.924 ( 1.823 -0.783 -0.454) 2.036 1.927 ( -0.758 0.859 -0.117) 1.151 1.955 ( 0.654 0.349 1.328) 1.521 1.972 ( 0.815 -1.228 -0.510) 1.559 1.987 ( -0.070 -0.906 -1.410) 1.678 1.993 ( 1.608 0.710 -0.986) 2.015 2.041 ( 0.795 -1.790 -1.545) 2.494 2.093 ( -1.033 -2.648 0.206) 2.850 2.145 ( -0.570 0.895 -1.345) 1.713 2.160 ( 1.877 1.273 1.821) 2.909 2.187 ( 1.313 -1.384 -0.726) 2.041 2.257 ( -2.193 2.534 -0.991) 3.495 2.278 ( -0.230 1.263 1.274) 1.809 2.558 ( 0.115 0.101 0.621) 0.640 2.594 ( 0.256 -0.092 -0.729) 0.778 2.744 ( -0.772 -0.059 0.214) 0.804 2.777 ( -0.155 -2.287 -0.516) 2.350 2.826 ( 0.009 0.067 0.425) 0.430 2.841 ( -0.369 -0.271 -0.358) 0.581 2.925 ( 0.024 -0.243 0.522) 0.576 2.951 ( -0.127 -0.064 -0.439) 0.461 2.977 ( -1.363 0.378 0.650) 1.557 3.017 ( -0.612 -0.976 -0.391) 1.216 3.186 ( 0.103 2.797 -1.171) 3.034 3.199 ( -1.421 1.529 -0.224) 2.099 3.262 ( 0.403 0.565 1.161) 1.353 3.280 ( 2.320 1.409 0.372) 2.739 3.327 ( -0.252 2.842 0.331) 2.872 3.363 ( -0.572 2.782 -0.146) 2.844 3.405 ( 0.649 1.054 0.947) 1.559 3.488 ( -1.424 3.853 -0.670) 4.163 3.602 ( 2.235 0.126 -0.624) 2.324 3.620 ( 2.489 0.308 -0.201) 2.516 3.656 ( -1.713 -0.283 1.362) 2.207 3.734 ( 0.442 2.756 1.055) 2.984 3.765 ( 1.392 0.652 1.957) 2.489 3.857 ( -0.027 -3.916 -3.060) 4.970 3.914 ( -1.551 -2.413 -0.030) 2.869 3.938 ( -0.109 -1.268 -1.438) 1.920 ======================= Grid point 41 (19/40) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -3.897 1.406 4.108) 5.834 0.383 ( -3.358 3.202 4.590) 6.527 0.399 ( 3.275 1.224 0.155) 3.500 0.420 ( -0.596 -0.969 1.812) 2.139 0.434 ( -1.074 0.101 0.633) 1.251 0.463 ( 2.613 -1.805 1.644) 3.576 0.501 ( -0.225 -0.652 0.134) 0.703 0.511 ( 0.763 0.292 2.320) 2.459 0.538 ( 0.041 -1.344 -2.255) 2.625 0.566 ( 0.832 -0.934 -0.137) 1.258 0.601 ( 1.537 -0.519 0.003) 1.622 0.621 ( -1.287 -0.282 1.470) 1.974 0.635 ( -1.171 0.452 0.285) 1.287 0.638 ( 0.800 -1.310 -1.039) 1.854 0.656 ( -0.101 -0.140 1.318) 1.329 0.694 ( -1.317 1.494 0.515) 2.057 0.721 ( -2.703 0.798 -1.304) 3.106 0.750 ( 0.387 -0.614 -0.794) 1.076 0.772 ( 0.162 -0.748 1.355) 1.556 0.785 ( -0.631 1.152 1.197) 1.777 0.797 ( -0.429 -1.547 -1.714) 2.348 0.826 ( 1.068 0.125 0.044) 1.076 0.832 ( -0.463 0.191 1.121) 1.227 0.857 ( -1.210 -1.337 0.986) 2.055 0.874 ( 0.282 -0.211 -0.904) 0.971 0.892 ( 0.325 0.113 0.238) 0.419 0.923 ( -0.136 -1.253 -1.786) 2.186 0.931 ( -0.330 0.275 0.923) 1.018 0.945 ( 2.236 -0.848 0.306) 2.411 0.968 ( -1.883 0.605 -0.315) 2.003 0.989 ( -0.250 -0.056 -1.360) 1.384 1.019 ( -1.401 -1.597 -0.690) 2.234 1.036 ( 0.551 -1.174 -0.787) 1.517 1.065 ( 0.441 0.138 0.259) 0.530 1.074 ( -0.241 1.116 -2.312) 2.579 1.097 ( 0.629 0.468 -0.216) 0.814 1.108 ( 2.281 0.342 -2.937) 3.735 1.117 ( -0.683 -0.187 0.440) 0.834 1.140 ( 0.227 -0.110 -1.181) 1.208 1.161 ( 1.680 -0.952 -1.342) 2.351 1.174 ( -0.453 0.944 1.064) 1.492 1.194 ( 0.151 1.617 -0.486) 1.695 1.214 ( -0.120 0.741 0.102) 0.757 1.221 ( -0.296 0.643 -0.103) 0.716 1.236 ( 0.357 0.992 1.340) 1.705 1.265 ( -0.775 0.817 0.498) 1.231 1.299 ( 0.017 -0.380 -0.255) 0.458 1.302 ( -0.910 -0.174 0.302) 0.975 1.311 ( 0.815 0.105 -0.569) 1.000 1.342 ( 0.194 1.102 0.015) 1.119 1.344 ( -0.426 0.179 -0.640) 0.789 1.372 ( 1.447 -0.284 -0.656) 1.614 1.387 ( -0.411 0.033 0.753) 0.859 1.406 ( 0.463 1.312 -0.752) 1.582 1.418 ( -0.236 0.275 0.573) 0.678 1.442 ( -0.069 0.689 0.804) 1.061 1.458 ( -0.328 -1.054 0.227) 1.127 1.473 ( 0.161 -0.067 0.803) 0.822 1.499 ( -0.812 -0.588 -0.642) 1.191 1.507 ( -0.266 -1.180 1.068) 1.614 1.513 ( -0.515 0.294 -0.849) 1.035 1.517 ( -0.466 1.187 -0.600) 1.409 1.535 ( 0.959 -0.153 -0.361) 1.036 1.550 ( -0.706 0.146 -0.475) 0.863 1.584 ( 0.622 -0.404 1.022) 1.263 1.598 ( 0.423 0.328 1.373) 1.474 1.639 ( -0.379 1.861 -0.726) 2.034 1.675 ( -0.142 -0.265 -1.162) 1.201 1.680 ( -0.079 -0.007 0.717) 0.721 1.722 ( -0.427 -1.710 0.442) 1.817 1.752 ( 0.496 -0.783 -0.438) 1.025 1.757 ( 0.933 -1.778 1.013) 2.249 1.773 ( -1.005 0.359 0.517) 1.186 1.779 ( -0.053 -0.352 -0.127) 0.378 1.816 ( -0.345 -1.498 -0.403) 1.589 1.821 ( 0.107 -1.869 1.040) 2.142 1.858 ( -0.811 0.350 0.788) 1.184 1.870 ( -0.303 0.450 0.518) 0.750 1.892 ( -0.644 -0.925 0.121) 1.133 1.905 ( 0.153 -1.266 -0.020) 1.276 1.920 ( 1.141 1.317 1.026) 2.023 1.924 ( 0.400 -0.288 1.020) 1.133 1.954 ( 0.140 -0.186 0.306) 0.385 1.959 ( -0.310 -1.454 -0.631) 1.615 1.974 ( 0.050 0.950 0.678) 1.169 1.990 ( 0.167 -3.021 -0.147) 3.030 2.022 ( 1.555 -0.402 -1.107) 1.950 2.047 ( 0.495 -1.769 -1.689) 2.495 2.085 ( 0.057 -1.137 0.915) 1.461 2.123 ( -1.003 0.032 -1.182) 1.550 2.176 ( -0.952 0.344 0.262) 1.046 2.202 ( 1.023 0.792 -0.927) 1.592 2.252 ( 0.820 2.148 1.467) 2.728 2.273 ( -0.242 0.089 0.571) 0.626 2.564 ( -0.172 -0.118 0.765) 0.792 2.595 ( 0.487 -0.688 -0.544) 1.003 2.737 ( -0.013 0.066 0.289) 0.297 2.768 ( -0.418 -1.954 -0.957) 2.216 2.825 ( -0.583 0.583 0.164) 0.840 2.836 ( 0.340 -0.311 -0.179) 0.494 2.930 ( -0.064 -0.590 0.289) 0.660 2.938 ( -0.471 -0.726 -0.104) 0.871 2.967 ( -0.132 0.767 0.582) 0.971 3.006 ( -0.099 -0.868 -0.952) 1.292 3.172 ( -0.937 2.595 -0.467) 2.799 3.188 ( 0.720 3.414 -1.320) 3.731 3.255 ( -1.502 0.742 1.897) 2.531 3.314 ( 1.135 1.145 -0.557) 1.705 3.344 ( 0.987 3.322 0.961) 3.596 3.357 ( 0.174 2.254 -0.547) 2.326 3.409 ( -1.266 0.807 2.061) 2.550 3.449 ( -2.426 2.217 1.066) 3.455 3.633 ( 0.021 -0.979 1.455) 1.754 3.641 ( 0.142 0.336 0.438) 0.570 3.661 ( 2.109 0.810 -1.474) 2.697 3.737 ( -0.477 0.977 -0.901) 1.412 3.795 ( -0.153 -0.236 1.131) 1.166 3.854 ( -0.073 -1.725 0.453) 1.785 3.888 ( 1.428 -2.164 -2.175) 3.384 3.939 ( 0.965 -1.253 -2.029) 2.572 ======================= Grid point 42 (20/40) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( -5.166 1.938 5.626) 7.880 0.291 ( -6.302 5.307 1.360) 8.350 0.402 ( -1.629 0.954 -0.436) 1.938 0.426 ( -0.242 -0.212 1.799) 1.828 0.464 ( -0.371 -0.752 -0.339) 0.904 0.493 ( 0.888 -0.343 0.654) 1.155 0.507 ( 1.385 -1.341 0.265) 1.946 0.516 ( -1.450 2.974 3.273) 4.654 0.533 ( -1.732 3.899 2.747) 5.074 0.573 ( -0.137 -1.104 1.615) 1.961 0.583 ( -0.121 -0.578 0.619) 0.855 0.630 ( 0.140 -0.105 -0.766) 0.786 0.647 ( 0.440 -0.451 -0.940) 1.132 0.665 ( 0.594 -0.477 -0.285) 0.813 0.669 ( 1.093 0.107 0.201) 1.117 0.696 ( 1.715 0.354 1.206) 2.126 0.709 ( 3.020 0.063 1.060) 3.201 0.746 ( -0.603 -0.540 -0.033) 0.810 0.759 ( -1.574 -1.526 -0.946) 2.387 0.778 ( -1.620 0.162 1.816) 2.439 0.800 ( 1.017 -0.112 -0.416) 1.105 0.808 ( -0.579 0.870 -0.599) 1.205 0.847 ( -0.261 -1.859 0.281) 1.898 0.864 ( 0.635 -0.405 -0.867) 1.148 0.867 ( 1.242 -1.758 1.015) 2.380 0.877 ( -1.357 -1.501 -0.191) 2.033 0.905 ( -0.770 0.766 -0.480) 1.187 0.922 ( -0.994 -0.372 -0.911) 1.399 0.937 ( -0.358 0.998 -0.812) 1.336 0.985 ( 0.969 -1.617 0.818) 2.055 1.007 ( 0.358 -0.544 1.105) 1.283 1.017 ( 1.803 -0.451 0.327) 1.887 1.039 ( 0.501 -0.637 -0.763) 1.114 1.070 ( 1.767 0.269 -3.557) 3.981 1.083 ( -0.750 1.398 -1.145) 1.957 1.084 ( 0.136 -0.140 0.340) 0.392 1.101 ( -0.581 -1.253 -0.552) 1.487 1.115 ( -0.057 -0.050 -1.973) 1.975 1.153 ( -0.299 0.584 0.968) 1.169 1.167 ( 0.629 0.293 -0.909) 1.144 1.190 ( 0.529 -0.032 -0.962) 1.098 1.198 ( -0.379 0.725 1.053) 1.334 1.212 ( 1.946 0.795 -0.693) 2.213 1.221 ( -0.065 0.395 -0.382) 0.554 1.247 ( 0.219 0.000 -0.220) 0.310 1.253 ( -0.880 1.035 2.039) 2.450 1.280 ( -0.233 0.915 0.322) 0.997 1.303 ( -0.501 -0.614 0.070) 0.796 1.314 ( -0.006 0.135 -0.141) 0.195 1.343 ( 0.246 0.838 -1.409) 1.658 1.353 ( 0.449 -0.335 -0.169) 0.585 1.375 ( -0.116 -0.163 0.332) 0.387 1.396 ( 0.775 0.978 0.828) 1.497 1.407 ( -0.550 0.282 -1.283) 1.424 1.425 ( 1.061 0.102 -0.600) 1.223 1.439 ( 0.061 1.261 0.531) 1.370 1.460 ( -0.394 -0.468 -0.610) 0.864 1.473 ( -0.586 0.195 1.360) 1.494 1.483 ( -0.321 -0.699 0.208) 0.797 1.494 ( -0.382 0.201 0.277) 0.513 1.512 ( -0.105 -1.244 0.591) 1.381 1.530 ( 1.780 0.090 -0.406) 1.828 1.537 ( 0.117 0.103 -0.503) 0.526 1.558 ( 0.721 0.480 -0.117) 0.874 1.599 ( 0.440 0.046 1.114) 1.198 1.613 ( 0.663 -0.853 0.869) 1.386 1.631 ( -0.187 -0.288 -0.352) 0.491 1.667 ( 0.350 0.526 -0.115) 0.642 1.695 ( 0.710 -0.823 0.296) 1.126 1.718 ( -0.086 -1.027 -0.028) 1.031 1.752 ( -0.627 -0.994 -0.022) 1.175 1.758 ( -0.263 -0.672 -0.031) 0.723 1.770 ( -0.000 -0.301 -1.002) 1.046 1.793 ( 0.982 -0.367 1.221) 1.609 1.815 ( 0.311 -1.640 0.771) 1.838 1.827 ( 0.217 -1.358 0.279) 1.403 1.851 ( -0.942 0.110 1.744) 1.985 1.868 ( -0.246 -1.111 1.144) 1.613 1.885 ( -0.550 -0.722 -0.879) 1.264 1.896 ( -0.752 0.230 0.863) 1.168 1.912 ( -1.581 -0.743 -0.074) 1.748 1.933 ( -1.347 -1.024 -0.700) 1.832 1.948 ( 0.461 1.235 1.020) 1.667 1.955 ( -0.206 -1.447 0.452) 1.530 1.973 ( -0.461 0.628 -0.077) 0.782 1.997 ( 1.092 -0.592 -1.242) 1.757 2.029 ( -0.244 -0.006 -1.096) 1.123 2.038 ( -0.544 -0.487 -1.752) 1.899 2.089 ( -0.817 -0.969 0.268) 1.296 2.110 ( 0.615 -1.686 0.660) 1.912 2.160 ( -0.559 0.204 -0.160) 0.616 2.204 ( -0.996 -1.113 -0.590) 1.606 2.236 ( -0.291 2.481 0.227) 2.508 2.331 ( 3.772 1.025 -0.367) 3.926 2.559 ( -0.321 0.448 0.468) 0.723 2.599 ( -0.195 -0.038 -0.717) 0.744 2.746 ( 0.796 -0.133 0.532) 0.966 2.756 ( -0.135 -0.998 -0.671) 1.211 2.815 ( -0.254 0.414 0.479) 0.682 2.846 ( 0.594 -0.354 -0.192) 0.717 2.923 ( -0.162 0.390 0.369) 0.561 2.944 ( 0.408 -1.017 -0.026) 1.096 2.970 ( 0.353 -0.252 1.000) 1.089 3.009 ( 0.740 -1.012 -0.647) 1.411 3.161 ( -0.043 2.845 -0.238) 2.856 3.199 ( 0.811 2.445 -0.766) 2.687 3.238 ( -0.852 1.598 0.958) 2.049 3.303 ( -2.147 2.525 0.382) 3.336 3.358 ( 0.547 2.213 0.509) 2.336 3.371 ( 0.423 1.501 0.466) 1.627 3.387 ( -0.823 1.715 0.794) 2.061 3.418 ( -0.614 2.706 -0.681) 2.857 3.616 ( -1.878 -0.270 0.683) 2.017 3.656 ( 0.263 -1.010 -0.165) 1.057 3.685 ( 0.705 0.619 0.619) 1.124 3.713 ( -0.763 0.162 -1.312) 1.527 3.760 ( -2.660 1.767 1.664) 3.600 3.894 ( 2.834 -2.313 -0.795) 3.744 3.911 ( 1.679 -2.329 -2.985) 4.141 3.952 ( 0.454 -2.214 -0.334) 2.285 ======================= Grid point 43 (21/40) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( -1.334 6.718 -1.185) 6.951 0.385 ( 2.180 6.538 1.578) 7.070 0.413 ( -0.211 -0.122 0.280) 0.371 0.420 ( -0.341 2.836 -0.337) 2.876 0.435 ( 0.296 0.177 -0.714) 0.793 0.469 ( -0.088 -0.258 -0.489) 0.560 0.495 ( -1.039 -0.457 -0.908) 1.453 0.526 ( 0.578 -0.115 -2.978) 3.036 0.552 ( 0.082 -0.361 1.325) 1.375 0.591 ( 0.094 -1.886 -1.771) 2.589 0.609 ( 0.215 -0.050 -0.409) 0.464 0.631 ( -1.387 0.009 -0.344) 1.429 0.637 ( -0.447 0.397 2.399) 2.472 0.688 ( -1.438 -0.016 1.578) 2.135 0.696 ( -0.062 0.489 2.253) 2.306 0.708 ( -0.005 -0.677 0.325) 0.751 0.721 ( -0.531 -0.095 0.280) 0.608 0.740 ( -1.068 0.174 0.280) 1.118 0.763 ( 2.160 2.306 3.440) 4.671 0.792 ( 1.374 -2.495 -0.196) 2.855 0.803 ( 0.397 0.833 0.629) 1.117 0.822 ( -0.075 1.828 0.501) 1.897 0.827 ( 0.238 0.752 0.671) 1.035 0.843 ( 1.293 -0.286 -0.217) 1.342 0.853 ( -0.741 1.143 0.319) 1.399 0.873 ( 0.272 -0.907 -2.163) 2.361 0.897 ( 0.232 0.163 1.378) 1.406 0.926 ( 0.560 0.810 0.070) 0.988 0.934 ( -1.129 -2.205 -0.009) 2.477 0.965 ( 0.607 0.450 0.715) 1.040 1.002 ( -1.574 0.180 1.832) 2.422 1.025 ( 1.079 -0.997 -0.426) 1.529 1.039 ( 0.252 -2.160 -0.114) 2.177 1.048 ( 0.471 -0.128 0.885) 1.010 1.060 ( 0.422 -1.512 0.182) 1.581 1.073 ( 1.129 -1.183 -0.841) 1.839 1.091 ( -1.411 -1.247 0.754) 2.028 1.115 ( -0.135 -0.964 -1.288) 1.614 1.151 ( -0.613 1.104 -0.634) 1.413 1.164 ( 0.808 -0.722 0.539) 1.210 1.177 ( -0.020 0.517 -1.385) 1.478 1.209 ( -0.478 -1.689 -0.104) 1.758 1.209 ( -0.232 -0.415 0.576) 0.747 1.236 ( -0.237 0.506 0.718) 0.910 1.251 ( -0.361 -0.220 0.335) 0.539 1.269 ( -0.935 -0.750 -0.089) 1.202 1.275 ( -1.017 0.724 -0.680) 1.422 1.295 ( 0.293 0.828 -0.162) 0.893 1.311 ( 0.324 0.721 0.115) 0.799 1.341 ( -0.258 0.182 0.252) 0.404 1.353 ( -0.276 0.077 -0.002) 0.287 1.380 ( 1.581 0.033 -0.051) 1.582 1.403 ( -0.386 1.039 -0.848) 1.395 1.413 ( -0.943 0.201 0.683) 1.182 1.434 ( 0.474 -0.333 0.629) 0.855 1.441 ( 0.284 -0.663 -1.104) 1.319 1.455 ( 0.138 -0.413 0.153) 0.462 1.473 ( 0.809 0.250 0.103) 0.853 1.478 ( -0.750 0.741 -0.870) 1.367 1.489 ( 0.181 0.414 -0.041) 0.453 1.508 ( -0.267 0.866 0.766) 1.187 1.539 ( 0.164 -0.823 -0.618) 1.042 1.543 ( 0.151 -0.486 -0.171) 0.537 1.566 ( -0.110 -1.566 -0.744) 1.737 1.595 ( 0.279 -0.786 1.316) 1.558 1.610 ( -0.029 -0.101 0.064) 0.123 1.644 ( 0.719 1.178 -0.172) 1.391 1.667 ( 0.450 -0.907 -0.648) 1.202 1.687 ( -0.351 -1.124 -0.498) 1.278 1.704 ( -0.230 -1.635 -1.321) 2.115 1.706 ( 0.480 -0.104 -0.051) 0.493 1.725 ( -0.291 -0.216 -1.063) 1.123 1.762 ( -0.525 -0.221 1.038) 1.184 1.797 ( -0.747 -0.735 -0.511) 1.166 1.815 ( 0.592 -0.337 -0.060) 0.684 1.823 ( 1.147 -0.294 0.370) 1.241 1.847 ( -0.511 -0.662 1.328) 1.569 1.861 ( -0.151 -0.784 1.078) 1.341 1.865 ( -0.255 1.449 -0.049) 1.472 1.881 ( 0.549 0.176 0.421) 0.714 1.900 ( -0.486 -0.213 0.894) 1.040 1.916 ( -0.257 -0.276 2.100) 2.134 1.931 ( -0.249 0.240 0.916) 0.979 1.962 ( -0.959 -0.685 -1.036) 1.569 1.983 ( -0.102 1.304 -1.602) 2.068 2.001 ( -0.247 -0.240 -0.857) 0.923 2.006 ( 1.556 -0.667 -1.144) 2.043 2.019 ( -0.959 -0.166 -0.920) 1.340 2.067 ( -0.845 -1.315 -0.233) 1.581 2.085 ( 0.408 -1.207 -0.899) 1.559 2.164 ( 1.303 1.068 0.887) 1.904 2.189 ( -0.311 0.367 0.371) 0.608 2.282 ( 0.696 0.896 0.331) 1.181 2.321 ( -1.205 -1.697 -1.737) 2.710 2.577 ( -0.419 0.788 -0.104) 0.899 2.592 ( 0.151 -0.040 -0.548) 0.570 2.738 ( -0.058 -0.827 0.100) 0.835 2.746 ( 0.053 -1.057 -0.028) 1.059 2.828 ( 0.175 0.496 0.484) 0.715 2.841 ( -0.019 -0.301 -0.103) 0.319 2.934 ( -0.560 0.372 0.988) 1.195 2.946 ( 0.221 -0.265 0.552) 0.651 2.987 ( 0.944 -0.039 0.411) 1.030 2.997 ( 0.523 -0.828 -0.291) 1.022 3.203 ( 0.312 0.983 0.560) 1.174 3.216 ( -0.039 0.350 -0.154) 0.385 3.266 ( -0.157 1.015 0.574) 1.177 3.298 ( -0.848 -0.045 0.036) 0.850 3.402 ( -0.579 3.749 -0.093) 3.794 3.430 ( 0.311 2.835 0.586) 2.912 3.445 ( 0.702 3.395 -0.730) 3.542 3.501 ( 4.003 0.845 -3.957) 5.691 3.594 ( -0.217 0.148 0.738) 0.783 3.606 ( -1.218 -0.600 0.755) 1.554 3.699 ( -1.494 1.395 0.591) 2.128 3.765 ( 0.479 1.706 1.304) 2.200 3.777 ( 0.339 2.920 0.603) 3.001 3.831 ( -1.748 -3.372 -2.276) 4.427 3.876 ( -1.064 -2.770 0.355) 2.989 3.892 ( 0.877 -2.835 -0.462) 3.004 ======================= Grid point 44 (22/40) ======================= q-point: ( 0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( 1.845 4.241 1.769) 4.951 0.407 ( -0.195 0.346 0.198) 0.444 0.409 ( 0.033 1.958 -0.358) 1.991 0.427 ( 1.195 3.207 0.520) 3.462 0.444 ( -1.341 1.264 -0.519) 1.915 0.449 ( 0.045 -0.231 0.174) 0.293 0.506 ( 1.213 0.728 -4.130) 4.366 0.525 ( 1.710 0.321 -0.274) 1.761 0.535 ( -2.644 0.217 0.019) 2.653 0.546 ( -1.741 0.298 0.034) 1.767 0.579 ( -2.531 -1.939 0.880) 3.307 0.606 ( -0.278 -1.965 0.231) 1.998 0.640 ( -1.275 -0.110 1.383) 1.885 0.664 ( -2.492 0.344 0.437) 2.553 0.685 ( -1.748 -0.729 0.320) 1.921 0.708 ( -1.093 -1.211 0.091) 1.633 0.714 ( -0.396 -0.025 1.036) 1.109 0.732 ( 0.903 -0.778 0.728) 1.397 0.790 ( -0.269 -0.158 0.423) 0.526 0.794 ( -0.481 0.126 -0.913) 1.040 0.796 ( -1.202 1.089 1.249) 2.048 0.815 ( 0.112 1.116 0.580) 1.263 0.832 ( 0.203 -0.983 -0.250) 1.035 0.856 ( 0.202 -0.433 0.294) 0.561 0.867 ( 0.264 -0.220 0.174) 0.385 0.884 ( 1.296 -0.691 0.110) 1.473 0.921 ( -0.467 0.388 0.615) 0.864 0.930 ( 2.308 3.147 0.730) 3.970 0.945 ( -0.587 1.121 0.827) 1.511 0.963 ( 0.038 -3.156 -0.255) 3.167 0.999 ( -0.254 0.049 0.670) 0.718 1.014 ( -1.352 -0.717 -0.005) 1.530 1.036 ( -0.554 -1.213 -0.448) 1.407 1.054 ( 0.179 -0.830 0.584) 1.030 1.064 ( 0.840 -0.120 0.017) 0.849 1.085 ( 1.612 -0.458 -1.241) 2.085 1.106 ( 1.070 -1.155 0.022) 1.575 1.121 ( 0.687 -0.638 -0.218) 0.963 1.131 ( -0.480 1.696 -1.154) 2.107 1.163 ( -1.693 -0.285 -0.460) 1.777 1.168 ( 0.285 0.371 -0.784) 0.913 1.207 ( -0.581 -1.233 0.459) 1.438 1.217 ( 0.696 0.090 0.960) 1.189 1.241 ( -0.436 -0.367 0.793) 0.977 1.249 ( 0.532 0.861 0.197) 1.031 1.259 ( 0.881 -0.026 0.710) 1.132 1.266 ( 0.951 -0.447 -0.642) 1.232 1.306 ( 0.546 -0.598 -0.690) 1.064 1.321 ( 0.190 0.907 0.889) 1.284 1.338 ( -0.083 -0.161 0.313) 0.362 1.349 ( -0.171 0.414 -0.330) 0.556 1.377 ( -1.605 -0.044 0.147) 1.612 1.398 ( -0.538 0.523 0.073) 0.754 1.411 ( 0.741 0.528 -0.364) 0.980 1.430 ( -0.155 -0.251 -0.561) 0.634 1.453 ( -0.814 1.475 0.347) 1.721 1.458 ( 1.060 0.901 -0.743) 1.577 1.468 ( 0.690 -1.024 0.835) 1.490 1.479 ( -0.252 0.053 -0.091) 0.273 1.511 ( 1.317 0.242 1.064) 1.710 1.516 ( 0.566 0.511 0.654) 1.005 1.526 ( -0.458 0.083 -1.085) 1.180 1.539 ( -0.460 -0.434 -0.884) 1.087 1.559 ( -0.140 -1.400 -1.185) 1.839 1.600 ( -0.183 -0.252 0.868) 0.922 1.605 ( -0.759 1.473 0.004) 1.658 1.655 ( 0.406 0.520 0.644) 0.922 1.670 ( -0.347 -0.887 -0.623) 1.138 1.677 ( 0.641 -2.690 -0.262) 2.778 1.694 ( -0.237 -1.597 -1.998) 2.569 1.711 ( -0.016 0.081 -0.826) 0.830 1.724 ( 0.482 -0.443 -0.106) 0.663 1.761 ( -0.144 -0.232 0.973) 1.010 1.782 ( -0.467 0.000 0.732) 0.868 1.812 ( -1.180 -0.723 -0.426) 1.448 1.822 ( -0.294 -0.076 -0.211) 0.370 1.857 ( 0.712 -1.033 0.112) 1.259 1.864 ( 0.352 -0.829 0.979) 1.330 1.874 ( 0.407 0.346 0.308) 0.617 1.886 ( -0.328 0.393 1.814) 1.885 1.907 ( -0.117 -0.322 0.303) 0.458 1.921 ( 0.542 -0.401 0.931) 1.149 1.935 ( -0.850 -0.606 -0.280) 1.081 1.956 ( 0.438 0.394 1.588) 1.694 1.969 ( 0.215 0.769 -1.064) 1.331 1.992 ( -0.284 0.538 -1.309) 1.443 2.010 ( 0.778 -0.544 -0.720) 1.192 2.015 ( 0.042 0.771 -1.080) 1.328 2.062 ( 0.394 -1.270 0.319) 1.367 2.103 ( 1.355 -3.124 -0.639) 3.464 2.176 ( -0.479 0.771 -0.593) 1.084 2.197 ( 0.788 0.492 0.533) 1.071 2.280 ( -1.463 0.473 -0.941) 1.802 2.294 ( 0.021 0.371 0.751) 0.838 2.563 ( -0.548 0.496 0.212) 0.769 2.587 ( -0.508 -0.571 -0.399) 0.862 2.736 ( -0.258 -0.803 0.097) 0.849 2.741 ( -0.374 -1.235 -0.039) 1.291 2.834 ( 0.208 0.554 0.159) 0.613 2.842 ( 0.057 0.265 -0.065) 0.279 2.921 ( -0.928 -0.058 0.445) 1.031 2.944 ( -0.579 -0.685 0.107) 0.903 2.989 ( -0.515 0.577 0.375) 0.859 3.001 ( -0.162 -0.555 -0.422) 0.715 3.212 ( -0.039 0.407 0.588) 0.716 3.219 ( 0.224 0.412 -0.242) 0.528 3.276 ( 0.649 1.009 0.590) 1.337 3.302 ( 1.210 0.429 0.085) 1.287 3.399 ( 0.401 3.841 -0.292) 3.873 3.429 ( -0.641 3.208 -0.391) 3.295 3.444 ( -0.210 2.795 0.116) 2.805 3.526 ( -1.140 0.110 -1.075) 1.571 3.608 ( 2.351 0.552 -0.786) 2.540 3.625 ( 2.506 0.170 -0.104) 2.514 3.663 ( -2.121 1.033 0.407) 2.394 3.769 ( -2.444 -1.623 -2.620) 3.934 3.781 ( 1.237 -0.911 0.196) 1.549 3.799 ( 0.456 2.210 1.967) 2.993 3.868 ( -0.303 -2.083 0.780) 2.245 3.905 ( 0.423 -2.064 -0.174) 2.114 ======================= Grid point 45 (23/40) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( -4.256 3.403 -0.214) 5.454 0.396 ( 1.481 -0.762 0.298) 1.692 0.416 ( 0.530 -0.161 0.815) 0.986 0.428 ( 1.846 0.124 0.596) 1.944 0.437 ( -0.486 0.680 0.350) 0.906 0.456 ( 0.906 2.181 -0.436) 2.401 0.489 ( -1.796 0.344 -0.764) 1.981 0.516 ( 0.056 -0.263 -1.938) 1.956 0.530 ( 1.514 -0.471 0.155) 1.593 0.564 ( -0.311 0.012 2.239) 2.261 0.575 ( 2.239 0.450 0.879) 2.447 0.612 ( 0.898 -0.374 -0.487) 1.088 0.623 ( -0.149 -1.031 0.154) 1.053 0.629 ( -0.355 0.417 -0.214) 0.589 0.674 ( -0.267 0.645 1.062) 1.271 0.699 ( 0.905 -2.069 -1.221) 2.568 0.710 ( -0.398 -0.272 1.147) 1.244 0.733 ( -0.363 -1.994 -0.139) 2.032 0.760 ( -1.838 0.489 1.022) 2.159 0.780 ( -0.288 -0.401 -1.211) 1.308 0.804 ( 0.555 -0.200 1.325) 1.451 0.820 ( -0.335 0.111 0.629) 0.722 0.831 ( -1.256 0.741 0.200) 1.472 0.850 ( -0.676 -0.431 -1.329) 1.552 0.852 ( -0.839 -2.083 0.562) 2.315 0.893 ( -1.979 -0.223 0.983) 2.221 0.909 ( 0.464 -0.112 -0.329) 0.579 0.926 ( 0.653 0.415 -1.004) 1.268 0.951 ( -0.424 -2.258 -0.684) 2.398 0.974 ( 0.038 0.436 -1.035) 1.124 0.996 ( -0.500 0.075 0.148) 0.527 1.003 ( 0.461 2.981 2.697) 4.046 1.037 ( -0.970 1.324 0.378) 1.685 1.043 ( 0.515 -2.480 -0.625) 2.609 1.091 ( -0.657 -1.037 -0.291) 1.261 1.102 ( -1.046 1.060 -0.821) 1.701 1.109 ( 0.171 0.616 -0.277) 0.697 1.115 ( 1.689 0.364 -0.293) 1.752 1.136 ( 0.897 -0.509 -1.270) 1.636 1.150 ( 0.718 -0.087 0.046) 0.725 1.183 ( 0.399 -0.151 1.446) 1.507 1.204 ( 0.066 -0.524 0.650) 0.837 1.218 ( -0.061 -0.295 -0.624) 0.693 1.232 ( -0.535 -0.633 -0.453) 0.945 1.261 ( 0.623 1.829 0.214) 1.944 1.277 ( 0.334 0.700 -0.479) 0.911 1.294 ( 0.471 -0.312 0.165) 0.589 1.308 ( 0.240 -0.388 0.002) 0.456 1.314 ( -1.026 1.083 1.579) 2.172 1.345 ( 0.549 -0.141 0.733) 0.927 1.353 ( 0.304 -0.302 0.106) 0.442 1.363 ( 0.046 -0.455 0.611) 0.764 1.383 ( -0.643 0.717 0.179) 0.980 1.412 ( 0.113 0.232 -0.430) 0.501 1.433 ( 0.182 0.187 0.560) 0.618 1.452 ( -0.136 0.860 1.097) 1.400 1.465 ( 0.222 -0.747 -1.787) 1.949 1.472 ( -0.145 0.805 0.016) 0.818 1.484 ( 0.360 0.180 0.722) 0.827 1.504 ( -0.532 0.379 0.584) 0.876 1.519 ( -0.630 0.271 -0.434) 0.812 1.530 ( -0.614 -0.427 -0.257) 0.791 1.537 ( 0.184 0.433 -1.103) 1.199 1.550 ( 0.920 -0.158 -1.441) 1.717 1.583 ( -0.868 0.491 0.439) 1.089 1.607 ( 0.172 0.822 0.391) 0.927 1.662 ( 0.270 -1.262 -1.093) 1.691 1.671 ( 0.220 0.498 0.055) 0.547 1.678 ( 0.283 -1.333 -1.571) 2.080 1.680 ( -0.817 -0.299 -0.586) 1.049 1.710 ( 1.019 -2.179 -0.049) 2.406 1.733 ( 0.138 -1.251 0.074) 1.261 1.767 ( 0.415 0.083 0.829) 0.930 1.780 ( -0.738 0.287 1.230) 1.462 1.795 ( -0.381 -0.766 -0.412) 0.950 1.812 ( -0.110 0.161 -0.326) 0.380 1.858 ( -0.370 -0.531 0.598) 0.881 1.872 ( -0.854 -0.987 0.734) 1.497 1.878 ( -0.106 -0.209 -0.830) 0.862 1.889 ( 0.723 -0.792 0.885) 1.391 1.901 ( -0.551 -1.001 0.965) 1.496 1.921 ( -0.171 -0.508 -0.103) 0.546 1.942 ( 0.500 -0.067 0.240) 0.559 1.966 ( 0.857 1.273 1.112) 1.895 1.976 ( -0.351 0.375 -0.063) 0.518 1.991 ( 0.261 0.564 0.084) 0.627 2.012 ( 0.274 -0.529 -0.687) 0.910 2.029 ( 1.215 0.254 -0.447) 1.319 2.074 ( 0.419 -0.499 0.917) 1.125 2.112 ( -0.332 -1.329 -0.775) 1.574 2.169 ( 0.408 -0.607 -0.538) 0.908 2.192 ( -1.146 -1.182 -0.922) 1.887 2.280 ( 1.276 0.971 0.629) 1.722 2.287 ( -0.715 0.916 0.319) 1.205 2.563 ( 0.049 0.061 0.454) 0.460 2.580 ( 0.336 -0.826 -0.256) 0.927 2.733 ( 0.055 -0.476 0.017) 0.479 2.736 ( -0.121 -1.159 -0.017) 1.166 2.835 ( -0.167 0.376 0.100) 0.423 2.842 ( 0.029 0.659 -0.127) 0.672 2.915 ( 0.226 -0.416 0.307) 0.565 2.931 ( -0.460 -0.363 -0.289) 0.653 2.977 ( -0.863 0.269 0.178) 0.921 2.993 ( -0.177 -0.545 -0.794) 0.979 3.209 ( -0.310 1.138 0.336) 1.226 3.221 ( -0.010 0.353 0.161) 0.388 3.285 ( -0.161 2.021 0.745) 2.160 3.325 ( 0.920 -0.007 -0.488) 1.041 3.408 ( 0.137 3.000 0.208) 3.011 3.417 ( 0.191 3.456 -0.546) 3.504 3.437 ( -0.838 1.847 0.707) 2.148 3.485 ( -2.144 1.131 -0.092) 2.426 3.624 ( -0.915 0.178 0.545) 1.080 3.648 ( 0.367 0.173 0.029) 0.407 3.677 ( 3.083 0.613 -2.720) 4.157 3.717 ( -0.748 -2.356 -3.380) 4.188 3.810 ( 0.699 0.564 0.960) 1.314 3.824 ( 1.407 -0.511 1.559) 2.161 3.858 ( -1.215 -0.568 1.522) 2.029 3.911 ( 0.289 -1.666 -0.018) 1.691 ======================= Grid point 46 (24/40) ======================= q-point: (-0.25 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 1.378 7.125 0.556) 7.279 0.391 ( -1.878 3.262 -0.512) 3.799 0.421 ( -1.039 0.541 -1.344) 1.783 0.429 ( -0.502 1.449 0.719) 1.693 0.444 ( -0.219 0.456 -0.002) 0.506 0.476 ( 0.008 -1.252 -0.722) 1.445 0.500 ( 2.274 0.912 0.163) 2.456 0.510 ( 1.375 -1.116 0.583) 1.865 0.543 ( -0.370 -1.051 -1.161) 1.609 0.576 ( 1.083 -0.426 1.027) 1.552 0.601 ( -0.814 0.176 -0.529) 0.987 0.635 ( -0.172 0.628 0.037) 0.652 0.640 ( 3.205 -0.571 0.776) 3.346 0.651 ( 2.817 -0.368 0.046) 2.841 0.694 ( -0.235 -0.481 -0.257) 0.594 0.703 ( 2.218 -0.820 0.799) 2.497 0.721 ( 0.519 -1.784 -0.369) 1.895 0.736 ( -0.827 2.610 2.158) 3.486 0.737 ( -0.511 -0.301 0.580) 0.830 0.775 ( 0.598 -1.044 0.159) 1.214 0.786 ( -2.236 -0.051 0.581) 2.311 0.812 ( 0.187 0.304 0.488) 0.605 0.827 ( 0.723 0.887 1.343) 1.765 0.842 ( -0.445 -1.261 -0.390) 1.393 0.857 ( 0.410 0.460 1.147) 1.302 0.869 ( -0.129 0.861 -0.862) 1.225 0.915 ( -0.286 0.500 0.281) 0.641 0.928 ( -0.533 -0.035 -0.771) 0.938 0.941 ( -0.239 -2.073 -0.139) 2.091 0.971 ( -1.229 2.106 1.043) 2.652 0.993 ( 1.254 -1.177 -0.810) 1.901 1.014 ( 0.916 -0.885 0.248) 1.298 1.029 ( -0.215 0.496 1.011) 1.146 1.051 ( -1.564 -1.711 0.736) 2.432 1.062 ( 0.177 -1.584 -1.444) 2.151 1.084 ( -1.050 0.386 -0.502) 1.226 1.104 ( -0.764 0.369 1.044) 1.345 1.113 ( -0.086 -0.780 -0.829) 1.141 1.146 ( 0.434 -0.374 -0.071) 0.577 1.171 ( -0.391 -0.677 0.300) 0.838 1.196 ( 1.144 0.300 -0.843) 1.452 1.204 ( 0.391 -0.678 0.155) 0.797 1.209 ( -1.105 0.021 -0.611) 1.263 1.237 ( 1.063 0.154 0.110) 1.080 1.255 ( -1.094 0.856 -1.029) 1.729 1.276 ( -0.307 1.166 1.257) 1.742 1.288 ( -0.679 0.221 1.244) 1.434 1.305 ( -0.348 0.072 -0.200) 0.408 1.314 ( -0.294 0.094 0.003) 0.309 1.347 ( -0.439 0.288 0.033) 0.526 1.359 ( 0.216 -0.411 0.019) 0.465 1.363 ( -0.227 -0.060 0.466) 0.522 1.400 ( 1.704 0.172 0.150) 1.719 1.414 ( -0.106 0.874 -0.402) 0.967 1.431 ( -0.939 0.504 1.061) 1.504 1.447 ( 0.328 -0.445 -0.190) 0.585 1.452 ( -0.398 -1.160 -0.905) 1.524 1.475 ( -0.725 0.659 0.380) 1.051 1.483 ( -0.360 0.128 -1.027) 1.096 1.498 ( -0.118 0.229 0.533) 0.592 1.511 ( -0.451 0.710 0.280) 0.886 1.528 ( 1.115 -0.259 -0.849) 1.425 1.538 ( 0.526 0.323 -0.232) 0.660 1.565 ( 0.512 -0.979 0.068) 1.107 1.582 ( 0.318 -0.229 0.541) 0.668 1.608 ( -0.036 -0.068 0.344) 0.353 1.644 ( -0.550 0.815 -1.876) 2.118 1.665 ( 0.127 -0.333 -1.216) 1.268 1.680 ( 0.788 -0.626 -0.228) 1.032 1.694 ( 0.793 -0.481 0.146) 0.938 1.721 ( -0.642 -2.101 -0.550) 2.264 1.732 ( 0.335 -1.266 -0.385) 1.365 1.769 ( -0.759 0.002 1.142) 1.371 1.783 ( 1.237 0.194 0.504) 1.349 1.798 ( 0.586 -0.478 0.098) 0.763 1.816 ( 0.270 -0.288 0.141) 0.420 1.852 ( -0.621 -0.263 1.076) 1.270 1.860 ( -0.434 -1.535 0.274) 1.619 1.872 ( -0.204 0.886 -0.173) 0.926 1.885 ( -0.690 -1.139 -0.220) 1.350 1.906 ( -0.890 -0.601 0.723) 1.294 1.914 ( -0.001 0.683 1.824) 1.948 1.950 ( -1.585 0.680 1.082) 2.036 1.971 ( 1.954 -1.436 -1.049) 2.642 1.980 ( -0.209 0.880 -0.306) 0.955 1.991 ( 0.090 0.639 -1.190) 1.354 2.011 ( -0.158 -1.254 -0.554) 1.379 2.036 ( -0.284 -0.190 -0.630) 0.717 2.082 ( -0.466 0.135 0.454) 0.664 2.094 ( -0.598 -0.218 -0.424) 0.765 2.153 ( -0.716 -0.219 -0.835) 1.122 2.189 ( 0.318 -0.936 0.491) 1.104 2.275 ( -0.145 1.530 -0.171) 1.547 2.319 ( 1.764 -1.358 -0.117) 2.229 2.569 ( 0.640 0.572 0.138) 0.869 2.592 ( 0.531 -0.608 -0.398) 0.900 2.737 ( 0.207 -0.811 0.005) 0.837 2.739 ( 0.451 -0.612 0.054) 0.762 2.828 ( -0.433 0.725 0.158) 0.859 2.843 ( -0.013 -0.118 0.017) 0.120 2.928 ( 0.618 -0.078 0.800) 1.014 2.933 ( 0.771 0.062 -0.067) 0.776 2.967 ( 0.106 0.019 0.223) 0.248 2.991 ( 0.300 -0.955 -0.434) 1.091 3.205 ( -0.411 1.511 0.402) 1.617 3.220 ( -0.202 0.282 0.085) 0.357 3.277 ( -0.950 1.852 0.569) 2.158 3.321 ( -1.166 -0.535 -0.113) 1.288 3.411 ( 0.120 2.952 0.331) 2.972 3.422 ( 0.111 3.620 0.005) 3.622 3.429 ( 0.343 2.008 -0.185) 2.046 3.466 ( 0.875 1.834 -1.524) 2.540 3.609 ( -1.239 -0.318 0.687) 1.452 3.629 ( -1.263 -1.405 -0.761) 2.037 3.705 ( 0.990 1.399 -1.526) 2.294 3.727 ( 2.111 0.967 -0.208) 2.331 3.802 ( -2.099 2.304 1.349) 3.396 3.847 ( 0.435 -2.006 -0.182) 2.061 3.860 ( 1.394 -2.746 -0.666) 3.151 3.909 ( -0.982 -2.360 0.705) 2.651 ======================= Grid point 47 (25/40) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( -0.567 -1.012 -0.967) 1.511 0.401 ( -0.567 1.012 -0.967) 1.511 0.445 ( -0.218 -0.747 0.011) 0.779 0.445 ( -0.218 0.747 0.011) 0.779 0.472 ( -0.545 -1.905 -0.418) 2.025 0.472 ( -0.545 1.905 -0.418) 2.025 0.520 ( 1.200 -3.460 -0.421) 3.686 0.520 ( 1.200 3.460 -0.421) 3.686 0.548 ( 1.007 -2.367 -1.618) 3.039 0.548 ( 1.007 2.367 -1.618) 3.039 0.612 ( -1.451 -0.915 -1.953) 2.599 0.612 ( -1.451 0.915 -1.953) 2.599 0.661 ( -0.621 -1.834 2.604) 3.245 0.661 ( -0.621 1.834 2.604) 3.245 0.710 ( -1.315 -0.302 0.622) 1.486 0.710 ( -1.315 0.302 0.622) 1.486 0.720 ( 1.915 -1.851 -0.158) 2.668 0.720 ( 1.915 1.851 -0.158) 2.668 0.775 ( 0.554 -0.464 2.321) 2.431 0.775 ( 0.554 0.464 2.321) 2.431 0.800 ( 1.716 -0.604 -0.452) 1.875 0.800 ( 1.716 0.604 -0.452) 1.875 0.863 ( -0.562 -0.533 0.508) 0.926 0.863 ( -0.562 0.533 0.508) 0.926 0.883 ( -1.441 -1.224 -1.449) 2.382 0.883 ( -1.441 1.224 -1.449) 2.382 0.898 ( 0.128 -1.346 -0.270) 1.379 0.898 ( 0.128 1.346 -0.270) 1.379 0.956 ( 0.637 -3.127 1.358) 3.468 0.956 ( 0.637 3.127 1.358) 3.468 1.011 ( 0.381 -0.997 0.771) 1.316 1.011 ( 0.381 0.997 0.771) 1.316 1.022 ( 1.836 -1.510 0.730) 2.487 1.022 ( 1.836 1.510 0.730) 2.487 1.063 ( -1.822 -1.154 0.834) 2.313 1.063 ( -1.822 1.154 0.834) 2.313 1.083 ( -0.724 -2.343 1.199) 2.730 1.083 ( -0.724 2.343 1.199) 2.730 1.160 ( 0.210 -0.864 1.838) 2.042 1.160 ( 0.210 0.864 1.838) 2.042 1.179 ( -0.580 -1.289 -1.490) 2.054 1.179 ( -0.580 1.289 -1.490) 2.054 1.225 ( -0.115 -1.683 -0.097) 1.690 1.225 ( -0.115 1.683 -0.097) 1.690 1.253 ( 0.268 -0.432 -0.580) 0.772 1.253 ( 0.268 0.432 -0.580) 0.772 1.296 ( -1.377 -1.017 -0.291) 1.736 1.296 ( -1.377 1.017 -0.291) 1.736 1.327 ( 0.343 -1.168 0.347) 1.266 1.327 ( 0.343 1.168 0.347) 1.266 1.370 ( 0.351 -1.231 0.103) 1.284 1.370 ( 0.351 1.231 0.103) 1.284 1.417 ( -0.618 -1.048 -0.641) 1.375 1.417 ( -0.618 1.048 -0.641) 1.375 1.436 ( -0.125 -0.947 0.592) 1.124 1.436 ( -0.125 0.947 0.592) 1.124 1.459 ( 1.027 -2.429 0.001) 2.637 1.459 ( 1.027 2.429 0.001) 2.637 1.494 ( 0.227 -0.918 0.285) 0.988 1.494 ( 0.227 0.918 0.285) 0.988 1.520 ( 0.519 -0.685 -1.352) 1.602 1.520 ( 0.519 0.685 -1.352) 1.602 1.541 ( -0.566 -0.558 -0.135) 0.806 1.541 ( -0.566 0.558 -0.135) 0.806 1.597 ( 0.284 -0.857 0.231) 0.932 1.597 ( 0.284 0.857 0.231) 0.932 1.664 ( 0.176 -1.159 -0.623) 1.327 1.664 ( 0.176 1.159 -0.623) 1.327 1.673 ( -0.016 -1.277 -2.128) 2.482 1.673 ( -0.016 1.277 -2.128) 2.482 1.718 ( 0.016 -1.043 0.455) 1.138 1.718 ( 0.016 1.043 0.455) 1.138 1.776 ( -0.392 -1.385 0.520) 1.530 1.776 ( -0.392 1.385 0.520) 1.530 1.813 ( 0.452 -0.681 -0.708) 1.082 1.813 ( 0.452 0.681 -0.708) 1.082 1.848 ( -0.207 -0.647 1.464) 1.614 1.848 ( -0.207 0.647 1.464) 1.614 1.885 ( 1.398 -0.160 0.519) 1.500 1.885 ( 1.398 0.160 0.519) 1.500 1.910 ( -1.350 -0.997 1.024) 1.966 1.910 ( -1.350 0.997 1.024) 1.966 1.937 ( -0.833 -0.857 0.402) 1.261 1.937 ( -0.833 0.857 0.402) 1.261 1.993 ( 0.988 -0.183 -0.486) 1.116 1.993 ( 0.988 0.183 -0.486) 1.116 2.010 ( -0.608 -0.953 -1.226) 1.667 2.010 ( -0.608 0.953 -1.226) 1.667 2.066 ( -0.624 -0.749 -1.440) 1.739 2.066 ( -0.624 0.749 -1.440) 1.739 2.185 ( 0.702 -0.849 1.107) 1.562 2.185 ( 0.702 0.849 1.107) 1.562 2.296 ( -0.145 -0.850 -0.500) 0.997 2.296 ( -0.145 0.850 -0.500) 0.997 2.587 ( -0.142 -0.389 -0.364) 0.551 2.587 ( -0.142 0.389 -0.364) 0.551 2.733 ( -0.145 -0.244 -0.036) 0.286 2.733 ( -0.145 0.244 -0.036) 0.286 2.836 ( 0.183 -0.326 0.255) 0.452 2.836 ( 0.183 0.326 0.255) 0.452 2.940 ( -0.449 -0.344 1.066) 1.207 2.940 ( -0.449 0.344 1.066) 1.207 2.989 ( 1.002 -0.208 -0.253) 1.055 2.989 ( 1.002 0.208 -0.253) 1.055 3.216 ( -0.191 -0.342 0.439) 0.589 3.216 ( -0.191 0.342 0.439) 0.589 3.284 ( -0.338 -1.012 0.183) 1.083 3.284 ( -0.338 1.012 0.183) 1.083 3.451 ( 0.056 -0.925 -0.307) 0.976 3.451 ( 0.056 0.925 -0.307) 0.976 3.495 ( 1.786 -1.509 -1.757) 2.924 3.495 ( 1.786 1.509 -1.757) 2.924 3.598 ( -0.087 -0.333 0.763) 0.837 3.598 ( -0.087 0.333 0.763) 0.837 3.742 ( -0.847 -2.980 -1.070) 3.278 3.742 ( -0.847 2.980 -1.070) 3.278 3.825 ( -1.261 -1.220 0.739) 1.904 3.825 ( -1.261 1.220 0.739) 1.904 3.839 ( 0.727 -2.093 0.253) 2.230 3.839 ( 0.727 2.093 0.253) 2.230 ======================= Grid point 49 (26/40) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 0.024 -1.292 -0.400) 1.353 0.387 ( 0.024 1.292 -0.400) 1.353 0.441 ( -0.657 -0.760 -0.232) 1.032 0.441 ( -0.657 0.760 -0.232) 1.032 0.473 ( 0.155 -0.243 0.417) 0.507 0.473 ( 0.155 0.243 0.417) 0.507 0.526 ( -0.685 -0.628 -1.401) 1.681 0.526 ( -0.685 0.628 -1.401) 1.681 0.540 ( -1.108 -1.436 -2.648) 3.210 0.540 ( -1.108 1.436 -2.648) 3.210 0.576 ( 0.100 -0.906 1.379) 1.653 0.576 ( 0.100 0.906 1.379) 1.653 0.642 ( -1.671 -1.536 1.494) 2.717 0.642 ( -1.671 1.536 1.494) 2.717 0.680 ( -1.263 -0.835 -0.254) 1.535 0.680 ( -1.263 0.835 -0.254) 1.535 0.730 ( -1.086 -0.923 -0.186) 1.437 0.730 ( -1.086 0.923 -0.186) 1.437 0.789 ( -0.360 -0.747 2.200) 2.351 0.789 ( -0.360 0.747 2.200) 2.351 0.814 ( 0.052 -0.768 -1.170) 1.401 0.814 ( 0.052 0.768 -1.170) 1.401 0.833 ( -1.196 -1.679 0.038) 2.062 0.833 ( -1.196 1.679 0.038) 2.062 0.881 ( -0.787 -2.226 0.965) 2.551 0.881 ( -0.787 2.226 0.965) 2.551 0.906 ( 1.615 -2.206 -0.946) 2.893 0.906 ( 1.615 2.206 -0.946) 2.893 0.971 ( 0.149 -1.374 -1.114) 1.775 0.971 ( 0.149 1.374 -1.114) 1.775 1.015 ( -1.587 -0.703 -0.721) 1.880 1.015 ( -1.587 0.703 -0.721) 1.880 1.036 ( 1.746 -1.907 1.254) 2.874 1.036 ( 1.746 1.907 1.254) 2.874 1.067 ( 0.735 -1.780 3.760) 4.224 1.067 ( 0.735 1.780 3.760) 4.224 1.106 ( 1.809 -1.053 0.359) 2.124 1.106 ( 1.809 1.053 0.359) 2.124 1.154 ( -0.815 -0.999 -0.954) 1.604 1.154 ( -0.815 0.999 -0.954) 1.604 1.173 ( 0.206 -1.060 0.276) 1.114 1.173 ( 0.206 1.060 0.276) 1.114 1.227 ( -0.948 -1.131 1.031) 1.800 1.227 ( -0.948 1.131 1.031) 1.800 1.260 ( 1.073 -0.313 -0.523) 1.234 1.260 ( 1.073 0.313 -0.523) 1.234 1.280 ( 0.951 -1.803 -0.599) 2.124 1.280 ( 0.951 1.803 -0.599) 2.124 1.334 ( -0.117 -0.467 0.828) 0.958 1.334 ( -0.117 0.467 0.828) 0.958 1.365 ( -0.951 -1.015 0.088) 1.394 1.365 ( -0.951 1.015 0.088) 1.394 1.409 ( 0.135 -0.759 -0.818) 1.124 1.409 ( 0.135 0.759 -0.818) 1.124 1.440 ( 0.378 -1.219 0.356) 1.325 1.440 ( 0.378 1.219 0.356) 1.325 1.482 ( 0.451 -0.296 -0.539) 0.762 1.482 ( 0.451 0.296 -0.539) 0.762 1.489 ( -0.242 -1.890 0.867) 2.094 1.489 ( -0.242 1.890 0.867) 2.094 1.524 ( -0.329 -0.478 0.341) 0.672 1.524 ( -0.329 0.478 0.341) 0.672 1.537 ( 1.017 -0.392 -1.768) 2.077 1.537 ( 1.017 0.392 -1.768) 2.077 1.606 ( 0.502 -0.976 0.473) 1.195 1.606 ( 0.502 0.976 0.473) 1.195 1.654 ( -0.324 -0.420 -1.164) 1.280 1.654 ( -0.324 0.420 -1.164) 1.280 1.669 ( 0.215 -0.462 -1.422) 1.511 1.669 ( 0.215 0.462 -1.422) 1.511 1.718 ( -0.298 -0.586 0.391) 0.765 1.718 ( -0.298 0.586 0.391) 0.765 1.772 ( -0.164 -1.129 0.668) 1.322 1.772 ( -0.164 1.129 0.668) 1.322 1.813 ( -0.108 -0.641 -0.460) 0.796 1.813 ( -0.108 0.641 -0.460) 0.796 1.851 ( -0.411 -0.387 1.154) 1.284 1.851 ( -0.411 0.387 1.154) 1.284 1.887 ( -0.546 -0.759 -0.458) 1.042 1.887 ( -0.546 0.759 -0.458) 1.042 1.907 ( -0.085 -1.051 0.392) 1.125 1.907 ( -0.085 1.051 0.392) 1.125 1.943 ( 0.723 -1.090 1.821) 2.243 1.943 ( 0.723 1.090 1.821) 2.243 1.990 ( -0.427 -0.815 -1.444) 1.712 1.990 ( -0.427 0.815 -1.444) 1.712 2.016 ( 1.564 -1.163 -0.156) 1.955 2.016 ( 1.564 1.163 -0.156) 1.955 2.059 ( 0.142 -1.495 -0.462) 1.572 2.059 ( 0.142 1.495 -0.462) 1.572 2.192 ( -0.471 -0.821 0.027) 0.947 2.192 ( -0.471 0.821 0.027) 0.947 2.290 ( -0.064 -0.586 -0.084) 0.596 2.290 ( -0.064 0.586 -0.084) 0.596 2.575 ( -0.795 -0.673 -0.123) 1.048 2.575 ( -0.795 0.673 -0.123) 1.048 2.728 ( -0.267 -0.156 0.080) 0.319 2.728 ( -0.267 0.156 0.080) 0.319 2.843 ( 0.273 -0.282 0.002) 0.392 2.843 ( 0.273 0.282 0.002) 0.392 2.928 ( -0.944 -0.819 0.502) 1.347 2.928 ( -0.944 0.819 0.502) 1.347 2.995 ( -0.174 -0.177 -0.269) 0.366 2.995 ( -0.174 0.177 -0.269) 0.366 3.218 ( 0.029 -0.261 0.554) 0.613 3.218 ( 0.029 0.261 0.554) 0.613 3.296 ( 1.194 -0.880 0.220) 1.500 3.296 ( 1.194 0.880 0.220) 1.500 3.448 ( -0.165 -1.015 -0.202) 1.048 3.448 ( -0.165 1.015 -0.202) 1.048 3.500 ( -0.488 -2.544 -1.264) 2.882 3.500 ( -0.488 2.544 -1.264) 2.882 3.621 ( 2.137 -0.626 0.126) 2.231 3.621 ( 2.137 0.626 0.126) 2.231 3.700 ( -2.191 -3.107 -1.720) 4.173 3.700 ( -2.191 3.107 -1.720) 4.173 3.809 ( -0.245 -1.482 0.483) 1.578 3.809 ( -0.245 1.482 0.483) 1.578 3.865 ( 0.939 -1.900 1.320) 2.497 3.865 ( 0.939 1.900 1.320) 2.497 ======================= Grid point 51 (27/40) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( -0.803 -1.002 -0.995) 1.625 0.381 ( -0.803 1.002 -0.995) 1.625 0.427 ( 0.992 -1.049 0.659) 1.587 0.427 ( 0.992 1.049 0.659) 1.587 0.464 ( -0.606 -1.469 -0.229) 1.605 0.464 ( -0.606 1.469 -0.229) 1.605 0.519 ( 0.334 -1.935 -1.232) 2.319 0.519 ( 0.334 1.935 -1.232) 2.319 0.525 ( 0.426 -1.242 -0.799) 1.537 0.525 ( 0.426 1.242 -0.799) 1.537 0.603 ( 0.758 -1.170 1.209) 1.845 0.603 ( 0.758 1.170 1.209) 1.845 0.641 ( 1.240 -1.133 0.258) 1.699 0.641 ( 1.240 1.133 0.258) 1.699 0.664 ( 0.152 -0.195 -0.292) 0.383 0.664 ( 0.152 0.195 -0.292) 0.383 0.705 ( -0.997 -0.585 -0.542) 1.277 0.705 ( -0.997 0.585 -0.542) 1.277 0.784 ( -1.435 -0.853 -0.459) 1.731 0.784 ( -1.435 0.853 -0.459) 1.731 0.793 ( -0.638 -1.379 2.425) 2.862 0.793 ( -0.638 1.379 2.425) 2.862 0.835 ( 0.677 -0.930 -0.614) 1.304 0.835 ( 0.677 0.930 -0.614) 1.304 0.869 ( -0.713 -1.442 1.373) 2.115 0.869 ( -0.713 1.442 1.373) 2.115 0.920 ( 0.202 -1.353 -1.188) 1.812 0.920 ( 0.202 1.353 -1.188) 1.812 0.955 ( -0.145 -1.985 -1.785) 2.674 0.955 ( -0.145 1.985 -1.785) 2.674 0.998 ( -0.083 -1.247 -0.936) 1.562 0.998 ( -0.083 1.247 -0.936) 1.562 1.060 ( -1.060 -1.991 1.887) 2.941 1.060 ( -1.060 1.991 1.887) 2.941 1.092 ( -0.295 -2.510 2.515) 3.565 1.092 ( -0.295 2.510 2.515) 3.565 1.121 ( 0.465 -0.606 -0.967) 1.233 1.121 ( 0.465 0.606 -0.967) 1.233 1.138 ( -0.492 -0.970 0.886) 1.403 1.138 ( -0.492 0.970 0.886) 1.403 1.189 ( 1.416 -1.164 0.273) 1.853 1.189 ( 1.416 1.164 0.273) 1.853 1.210 ( -0.744 -0.699 -0.081) 1.024 1.210 ( -0.744 0.699 -0.081) 1.024 1.288 ( 0.519 -0.586 -0.165) 0.800 1.288 ( 0.519 0.586 -0.165) 0.800 1.296 ( 0.976 -0.918 -0.736) 1.529 1.296 ( 0.976 0.918 -0.736) 1.529 1.329 ( -0.802 -0.900 1.416) 1.860 1.329 ( -0.802 0.900 1.416) 1.860 1.355 ( -0.039 -0.572 1.102) 1.242 1.355 ( -0.039 0.572 1.102) 1.242 1.407 ( 0.259 -1.250 -0.738) 1.475 1.407 ( 0.259 1.250 -0.738) 1.475 1.444 ( -0.245 -1.303 -0.064) 1.328 1.444 ( -0.245 1.303 -0.064) 1.328 1.474 ( -0.467 -1.028 -0.895) 1.441 1.474 ( -0.467 1.028 -0.895) 1.441 1.494 ( 0.154 -1.287 1.109) 1.706 1.494 ( 0.154 1.287 1.109) 1.706 1.522 ( -0.463 -0.299 0.728) 0.913 1.522 ( -0.463 0.299 0.728) 0.913 1.545 ( 0.885 -0.590 -2.016) 2.279 1.545 ( 0.885 0.590 -2.016) 2.279 1.607 ( -0.590 -1.584 -0.469) 1.754 1.607 ( -0.590 1.584 -0.469) 1.754 1.647 ( 0.284 -0.774 -1.542) 1.748 1.647 ( 0.284 0.774 -1.542) 1.748 1.678 ( 1.055 -0.822 0.456) 1.413 1.678 ( 1.055 0.822 0.456) 1.413 1.709 ( -0.494 -1.267 -0.430) 1.426 1.709 ( -0.494 1.267 -0.430) 1.426 1.778 ( 0.305 -0.719 0.944) 1.225 1.778 ( 0.305 0.719 0.944) 1.225 1.801 ( -0.835 -1.448 -0.326) 1.703 1.801 ( -0.835 1.448 -0.326) 1.703 1.848 ( -0.278 -0.176 0.961) 1.016 1.848 ( -0.278 0.176 0.961) 1.016 1.885 ( 0.080 -0.482 -0.578) 0.757 1.885 ( 0.080 0.482 -0.578) 0.757 1.902 ( 0.174 -1.186 -0.149) 1.208 1.902 ( 0.174 1.186 -0.149) 1.208 1.958 ( -0.150 -1.382 1.295) 1.900 1.958 ( -0.150 1.382 1.295) 1.900 1.990 ( 0.492 -0.736 -0.082) 0.889 1.990 ( 0.492 0.736 -0.082) 0.889 2.029 ( -0.255 -1.037 -0.811) 1.341 2.029 ( -0.255 1.037 -0.811) 1.341 2.077 ( 1.497 -1.534 1.270) 2.491 2.077 ( 1.497 1.534 1.270) 2.491 2.171 ( -0.986 -0.813 -1.211) 1.760 2.171 ( -0.986 0.813 -1.211) 1.760 2.293 ( 0.174 -0.305 0.292) 0.456 2.293 ( 0.174 0.305 0.292) 0.456 2.567 ( 0.188 -0.464 0.061) 0.504 2.567 ( 0.188 0.464 0.061) 0.504 2.726 ( 0.037 -0.102 0.108) 0.152 2.726 ( 0.037 0.102 0.108) 0.152 2.844 ( -0.095 -0.403 -0.110) 0.428 2.844 ( -0.095 0.403 -0.110) 0.428 2.920 ( 0.005 -0.737 0.265) 0.784 2.920 ( 0.005 0.737 0.265) 0.784 2.983 ( -0.672 -0.490 -0.640) 1.049 2.983 ( -0.672 0.490 -0.640) 1.049 3.220 ( -0.083 -0.282 0.665) 0.727 3.220 ( -0.083 0.282 0.665) 0.727 3.315 ( 0.291 -1.066 0.331) 1.154 3.315 ( 0.291 1.066 0.331) 1.154 3.444 ( -0.205 -0.556 -0.111) 0.603 3.444 ( -0.205 0.556 -0.111) 0.603 3.479 ( -0.772 -1.812 -0.844) 2.143 3.479 ( -0.772 1.812 -0.844) 2.143 3.639 ( -1.362 -1.136 -0.526) 1.850 3.639 ( -1.362 1.136 -0.526) 1.850 3.685 ( 2.737 -0.649 -2.398) 3.696 3.685 ( 2.737 0.649 -2.398) 3.696 3.815 ( 0.333 -0.611 0.734) 1.011 3.815 ( 0.333 0.611 0.734) 1.011 3.877 ( -0.565 -1.831 1.916) 2.709 3.877 ( -0.565 1.831 1.916) 2.709 ======================= Grid point 53 (28/40) ======================= q-point: (-0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.395 ( 1.580 -0.971 0.195) 1.864 0.395 ( 1.580 0.971 0.195) 1.864 0.447 ( 0.021 -1.404 0.184) 1.416 0.447 ( 0.021 1.404 0.184) 1.416 0.468 ( 1.292 -2.577 0.624) 2.950 0.468 ( 1.292 2.577 0.624) 2.950 0.516 ( -0.073 -3.110 -2.529) 4.009 0.516 ( -0.073 3.110 -2.529) 4.009 0.531 ( 0.987 -1.503 -0.803) 1.969 0.531 ( 0.987 1.503 -0.803) 1.969 0.618 ( 1.010 -1.514 -0.467) 1.879 0.618 ( 1.010 1.514 -0.467) 1.879 0.652 ( -0.010 -1.678 -0.258) 1.697 0.652 ( -0.010 1.678 -0.258) 1.697 0.692 ( 1.381 -1.620 0.825) 2.283 0.692 ( 1.381 1.620 0.825) 2.283 0.704 ( 1.552 -0.921 -0.381) 1.844 0.704 ( 1.552 0.921 -0.381) 1.844 0.757 ( -1.002 -0.974 0.648) 1.540 0.757 ( -1.002 0.974 0.648) 1.540 0.793 ( -0.388 -1.044 0.902) 1.433 0.793 ( -0.388 1.044 0.902) 1.433 0.856 ( 1.099 -1.283 1.344) 2.159 0.856 ( 1.099 1.283 1.344) 2.159 0.875 ( 0.780 -1.201 0.672) 1.582 0.875 ( 0.780 1.201 0.672) 1.582 0.915 ( -0.089 -0.945 -1.173) 1.509 0.915 ( -0.089 0.945 -1.173) 1.509 0.952 ( 0.087 -3.023 -0.442) 3.056 0.952 ( 0.087 3.023 -0.442) 3.056 0.997 ( 0.659 -1.088 -1.219) 1.762 0.997 ( 0.659 1.088 -1.219) 1.762 1.025 ( -2.633 -1.938 1.993) 3.829 1.025 ( -2.633 1.938 1.993) 3.829 1.084 ( -1.317 -1.523 1.332) 2.414 1.084 ( -1.317 1.523 1.332) 2.414 1.107 ( -1.649 -1.124 0.598) 2.084 1.107 ( -1.649 1.124 0.598) 2.084 1.145 ( 0.512 -1.121 1.168) 1.699 1.145 ( 0.512 1.121 1.168) 1.699 1.194 ( -0.530 -0.594 -0.841) 1.158 1.194 ( -0.530 0.594 -0.841) 1.158 1.220 ( 1.185 -1.331 -0.068) 1.783 1.220 ( 1.185 1.331 -0.068) 1.783 1.270 ( -1.643 -0.894 -0.102) 1.873 1.270 ( -1.643 0.894 -0.102) 1.873 1.304 ( 0.260 -1.100 -0.246) 1.157 1.304 ( 0.260 1.100 -0.246) 1.157 1.327 ( -0.161 -1.441 0.252) 1.472 1.327 ( -0.161 1.441 0.252) 1.472 1.364 ( 0.022 -0.217 1.040) 1.063 1.364 ( 0.022 0.217 1.040) 1.063 1.419 ( 0.898 -1.581 0.127) 1.823 1.419 ( 0.898 1.581 0.127) 1.823 1.437 ( -0.311 -0.213 0.136) 0.401 1.437 ( -0.311 0.213 0.136) 0.401 1.456 ( -0.564 -2.102 -1.219) 2.494 1.456 ( -0.564 2.102 -1.219) 2.494 1.493 ( -0.592 -0.690 0.619) 1.100 1.493 ( -0.592 0.690 0.619) 1.100 1.524 ( 0.110 -0.216 -0.286) 0.375 1.524 ( 0.110 0.216 -0.286) 0.375 1.546 ( 0.084 -0.815 -0.973) 1.273 1.546 ( 0.084 0.815 -0.973) 1.273 1.595 ( -0.165 -1.239 -0.309) 1.288 1.595 ( -0.165 1.239 -0.309) 1.288 1.653 ( 1.010 -0.951 -1.024) 1.724 1.653 ( 1.010 0.951 -1.024) 1.724 1.688 ( -0.350 -1.269 -1.069) 1.696 1.688 ( -0.350 1.269 -1.069) 1.696 1.709 ( 0.690 -1.292 0.467) 1.537 1.709 ( 0.690 1.292 0.467) 1.537 1.781 ( -0.511 -0.793 0.435) 1.039 1.781 ( -0.511 0.793 0.435) 1.039 1.799 ( 0.853 -0.867 0.434) 1.291 1.799 ( 0.853 0.867 0.434) 1.291 1.847 ( -0.223 -0.009 0.787) 0.818 1.847 ( -0.223 0.009 0.787) 0.818 1.878 ( -0.417 -0.231 -0.585) 0.755 1.878 ( -0.417 0.231 -0.585) 0.755 1.913 ( 0.502 -1.238 0.654) 1.487 1.913 ( 0.502 1.238 0.654) 1.487 1.955 ( -0.795 -0.306 0.903) 1.241 1.955 ( -0.795 0.306 0.903) 1.241 1.986 ( -0.290 -0.599 -0.653) 0.932 1.986 ( -0.290 0.599 -0.653) 0.932 2.021 ( -0.177 -1.254 -0.434) 1.339 2.021 ( -0.177 1.254 -0.434) 1.339 2.089 ( -0.705 -0.386 -0.575) 0.988 2.089 ( -0.705 0.386 -0.575) 0.988 2.165 ( 0.753 -1.322 0.214) 1.537 2.165 ( 0.753 1.322 0.214) 1.537 2.297 ( 0.139 -0.992 -0.109) 1.008 2.297 ( 0.139 0.992 -0.109) 1.008 2.580 ( 0.895 -0.621 -0.143) 1.099 2.580 ( 0.895 0.621 -0.143) 1.099 2.730 ( 0.315 -0.163 0.073) 0.363 2.730 ( 0.315 0.163 0.073) 0.363 2.839 ( -0.408 -0.387 0.042) 0.564 2.839 ( -0.408 0.387 0.042) 0.564 2.931 ( 0.750 -0.310 0.688) 1.064 2.931 ( 0.750 0.310 0.688) 1.064 2.974 ( 0.257 -0.725 -0.484) 0.909 2.974 ( 0.257 0.725 -0.484) 0.909 3.220 ( -0.327 -0.286 0.559) 0.708 3.220 ( -0.327 0.286 0.559) 0.708 3.303 ( -1.421 -1.138 0.336) 1.851 3.303 ( -1.421 1.138 0.336) 1.851 3.446 ( 0.621 -0.448 -0.480) 0.904 3.446 ( 0.621 0.448 -0.480) 0.904 3.473 ( 0.690 -1.279 -0.926) 1.723 3.473 ( 0.690 1.279 -0.926) 1.723 3.610 ( -1.184 -0.561 -0.152) 1.320 3.610 ( -1.184 0.561 -0.152) 1.320 3.730 ( 2.520 -0.896 -1.781) 3.213 3.730 ( 2.520 0.896 -1.781) 3.213 3.821 ( 0.075 -1.022 0.323) 1.074 3.821 ( 0.075 1.022 0.323) 1.074 3.862 ( -1.901 -2.542 1.639) 3.572 3.862 ( -1.901 2.542 1.639) 3.572 ======================= Grid point 63 (29/40) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( -3.266 0.000 -7.220) 7.925 0.291 ( 3.266 0.000 7.220) 7.925 0.423 ( 0.147 0.000 -1.324) 1.332 0.423 ( -0.147 0.000 1.324) 1.332 0.435 ( 0.734 0.000 -7.305) 7.342 0.435 ( -0.734 0.000 7.305) 7.342 0.505 ( -1.841 0.000 0.099) 1.844 0.505 ( 1.841 0.000 -0.099) 1.844 0.559 ( 1.298 0.000 -1.464) 1.956 0.559 ( -1.298 0.000 1.464) 1.956 0.655 ( -2.231 0.000 -2.637) 3.455 0.655 ( 2.231 0.000 2.637) 3.455 0.672 ( 1.182 0.000 -1.083) 1.603 0.672 ( -1.182 0.000 1.083) 1.603 0.698 ( -0.440 0.000 -3.083) 3.114 0.698 ( 0.440 0.000 3.083) 3.114 0.733 ( 0.132 0.000 -3.519) 3.522 0.733 ( -0.132 0.000 3.519) 3.522 0.774 ( 2.383 0.000 -3.611) 4.327 0.774 ( -2.383 0.000 3.611) 4.327 0.808 ( -0.012 0.000 -4.243) 4.243 0.808 ( 0.012 0.000 4.243) 4.243 0.861 ( 2.196 0.000 -1.100) 2.456 0.861 ( -2.196 0.000 1.100) 2.456 0.867 ( 0.192 0.000 -1.105) 1.122 0.867 ( -0.192 0.000 1.105) 1.122 0.923 ( 0.306 0.000 -2.887) 2.903 0.923 ( -0.306 0.000 2.887) 2.903 0.947 ( 0.293 0.000 -4.015) 4.026 0.947 ( -0.293 0.000 4.015) 4.026 0.999 ( -2.919 0.000 -0.716) 3.006 0.999 ( 2.919 0.000 0.716) 3.006 1.038 ( -0.727 0.000 -0.095) 0.733 1.038 ( 0.727 0.000 0.095) 0.733 1.090 ( 2.544 0.000 -2.088) 3.291 1.090 ( -2.544 0.000 2.088) 3.291 1.102 ( 1.185 0.000 -0.594) 1.325 1.102 ( -1.185 0.000 0.594) 1.325 1.173 ( 1.113 0.000 -1.356) 1.754 1.173 ( -1.113 0.000 1.356) 1.754 1.203 ( -1.511 0.000 -0.996) 1.809 1.203 ( 1.511 0.000 0.996) 1.809 1.234 ( 0.525 0.000 -0.364) 0.639 1.234 ( -0.525 0.000 0.364) 0.639 1.241 ( -0.431 0.000 -0.894) 0.993 1.241 ( 0.431 0.000 0.894) 0.993 1.282 ( -0.498 0.000 -2.017) 2.077 1.282 ( 0.498 0.000 2.017) 2.077 1.313 ( -0.561 0.000 -0.021) 0.561 1.313 ( 0.561 0.000 0.021) 0.561 1.363 ( -0.342 0.000 -0.438) 0.556 1.363 ( 0.342 0.000 0.438) 0.556 1.394 ( -0.946 0.000 -0.072) 0.949 1.394 ( 0.946 0.000 0.072) 0.949 1.430 ( -1.594 0.000 0.256) 1.615 1.430 ( 1.594 0.000 -0.256) 1.615 1.483 ( -0.750 0.000 -1.319) 1.517 1.483 ( 0.750 0.000 1.319) 1.517 1.501 ( -1.279 0.000 -0.579) 1.404 1.501 ( 1.279 0.000 0.579) 1.404 1.520 ( 0.535 0.000 -1.845) 1.921 1.520 ( -0.535 0.000 1.845) 1.921 1.556 ( -1.472 0.000 -1.691) 2.242 1.556 ( 1.472 0.000 1.691) 2.242 1.581 ( -0.894 0.000 -0.582) 1.066 1.581 ( 0.894 0.000 0.582) 1.066 1.686 ( -1.990 0.000 -0.853) 2.165 1.686 ( 1.990 0.000 0.853) 2.165 1.720 ( 1.064 0.000 -0.550) 1.198 1.720 ( -1.064 0.000 0.550) 1.198 1.753 ( -0.126 0.000 -0.888) 0.896 1.753 ( 0.126 0.000 0.888) 0.896 1.806 ( -1.165 0.000 -0.495) 1.266 1.806 ( 1.165 0.000 0.495) 1.266 1.847 ( -0.674 0.000 -0.092) 0.681 1.847 ( 0.674 0.000 0.092) 0.681 1.880 ( -1.531 0.000 -1.832) 2.388 1.880 ( 1.531 0.000 1.832) 2.388 1.896 ( -1.188 0.000 -1.220) 1.703 1.896 ( 1.188 0.000 1.220) 1.703 1.911 ( 1.152 0.000 -1.122) 1.608 1.911 ( -1.152 0.000 1.122) 1.608 1.934 ( -2.017 0.000 -1.174) 2.334 1.934 ( 2.017 0.000 1.174) 2.334 1.969 ( 0.256 0.000 -1.634) 1.654 1.969 ( -0.256 0.000 1.634) 1.654 2.015 ( 1.042 0.000 -2.099) 2.344 2.015 ( -1.042 0.000 2.099) 2.344 2.115 ( -0.892 0.000 -0.121) 0.900 2.115 ( 0.892 0.000 0.121) 0.900 2.197 ( -2.981 0.000 -0.071) 2.982 2.197 ( 2.981 0.000 0.071) 2.982 2.240 ( -1.136 0.000 0.150) 1.146 2.240 ( 1.136 0.000 -0.150) 1.146 2.568 ( 0.124 0.000 -1.158) 1.165 2.568 ( -0.124 0.000 1.158) 1.165 2.776 ( 0.980 0.000 -0.988) 1.392 2.776 ( -0.980 0.000 0.988) 1.392 2.839 ( -0.501 0.000 -0.753) 0.905 2.839 ( 0.501 0.000 0.753) 0.905 2.935 ( -0.065 0.000 -0.857) 0.860 2.935 ( 0.065 0.000 0.857) 0.860 3.017 ( 0.440 0.000 -0.869) 0.974 3.017 ( -0.440 0.000 0.869) 0.974 3.177 ( -3.492 0.000 0.905) 3.608 3.177 ( 3.492 0.000 -0.905) 3.608 3.223 ( -2.184 0.000 -0.239) 2.197 3.223 ( 2.184 0.000 0.239) 2.197 3.356 ( -0.069 0.000 -0.090) 0.114 3.356 ( 0.069 0.000 0.090) 0.114 3.371 ( 0.618 0.000 -0.749) 0.972 3.371 ( -0.618 0.000 0.749) 0.972 3.604 ( -0.204 0.000 -0.953) 0.974 3.604 ( 0.204 0.000 0.953) 0.974 3.700 ( -0.966 0.000 -0.377) 1.037 3.700 ( 0.966 0.000 0.377) 1.037 3.818 ( 0.478 0.000 -6.430) 6.448 3.818 ( -0.478 0.000 6.430) 6.448 3.962 ( -1.831 0.000 0.099) 1.834 3.962 ( 1.831 0.000 -0.099) 1.834 ======================= Grid point 65 (30/40) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 5.226 0.000 -3.406) 6.238 0.380 ( 3.404 0.000 1.287) 3.639 0.431 ( 3.090 0.000 -7.887) 8.470 0.439 ( 1.152 0.000 0.718) 1.358 0.455 ( 1.580 0.000 4.584) 4.849 0.463 ( 0.236 0.000 5.307) 5.313 0.497 ( 0.983 0.000 -0.736) 1.228 0.517 ( -2.616 0.000 -0.093) 2.618 0.555 ( 0.384 0.000 3.004) 3.028 0.572 ( -0.150 0.000 -2.479) 2.483 0.593 ( -1.520 0.000 0.517) 1.605 0.651 ( -0.867 0.000 1.276) 1.543 0.658 ( -1.638 0.000 -1.308) 2.096 0.663 ( -0.241 0.000 -3.924) 3.931 0.684 ( -0.811 0.000 -1.021) 1.304 0.718 ( -2.223 0.000 2.032) 3.012 0.726 ( 1.210 0.000 -4.468) 4.629 0.743 ( 0.292 0.000 1.531) 1.558 0.775 ( 0.819 0.000 1.198) 1.452 0.789 ( 0.495 0.000 -2.212) 2.267 0.814 ( 1.897 0.000 -2.531) 3.163 0.823 ( -1.759 0.000 2.304) 2.898 0.843 ( 0.002 0.000 6.861) 6.861 0.859 ( -0.220 0.000 -1.654) 1.669 0.873 ( 0.430 0.000 1.411) 1.475 0.889 ( 1.002 0.000 -1.411) 1.731 0.920 ( -0.717 0.000 3.504) 3.577 0.923 ( 2.867 0.000 -4.970) 5.737 0.942 ( -0.084 0.000 -2.596) 2.597 0.948 ( -0.491 0.000 -1.908) 1.970 0.951 ( -2.326 0.000 3.610) 4.294 1.011 ( -1.684 0.000 -0.105) 1.687 1.036 ( -1.188 0.000 -0.362) 1.241 1.052 ( 0.541 0.000 -0.469) 0.716 1.062 ( 1.175 0.000 2.745) 2.986 1.075 ( -2.006 0.000 -2.038) 2.860 1.116 ( 2.191 0.000 0.929) 2.379 1.133 ( 1.824 0.000 -2.478) 3.077 1.134 ( -3.342 0.000 0.449) 3.372 1.165 ( -1.621 0.000 0.951) 1.879 1.179 ( -0.863 0.000 -0.704) 1.114 1.190 ( -2.380 0.000 0.765) 2.500 1.217 ( 0.233 0.000 -1.852) 1.867 1.228 ( -0.782 0.000 0.584) 0.976 1.235 ( -0.495 0.000 1.341) 1.430 1.243 ( 0.278 0.000 -0.283) 0.397 1.285 ( 1.081 0.000 -2.534) 2.755 1.291 ( -1.207 0.000 2.239) 2.544 1.313 ( 0.699 0.000 -0.109) 0.708 1.322 ( 0.708 0.000 -0.551) 0.897 1.355 ( -0.541 0.000 0.901) 1.051 1.364 ( -0.471 0.000 -0.107) 0.483 1.378 ( -0.825 0.000 0.047) 0.826 1.404 ( -0.809 0.000 0.030) 0.810 1.417 ( 0.773 0.000 -0.574) 0.963 1.437 ( -0.577 0.000 -0.025) 0.578 1.472 ( 0.019 0.000 0.000) 0.019 1.487 ( 1.399 0.000 -0.931) 1.681 1.500 ( -0.502 0.000 -0.630) 0.806 1.503 ( -1.473 0.000 0.319) 1.507 1.516 ( -1.561 0.000 -0.228) 1.578 1.525 ( 0.557 0.000 -0.778) 0.957 1.542 ( 1.940 0.000 0.027) 1.940 1.556 ( -0.634 0.000 1.091) 1.262 1.583 ( -0.599 0.000 0.392) 0.716 1.602 ( 1.635 0.000 1.977) 2.566 1.644 ( -1.967 0.000 0.322) 1.993 1.689 ( -1.746 0.000 -0.987) 2.005 1.713 ( 0.070 0.000 2.186) 2.187 1.731 ( 0.716 0.000 -1.062) 1.281 1.756 ( -1.186 0.000 -1.905) 2.244 1.769 ( 0.934 0.000 -0.137) 0.944 1.782 ( -1.614 0.000 -0.744) 1.777 1.784 ( 0.587 0.000 1.630) 1.732 1.851 ( -1.443 0.000 -0.688) 1.599 1.857 ( -0.586 0.000 -0.354) 0.685 1.869 ( 0.564 0.000 1.147) 1.278 1.874 ( 0.889 0.000 0.301) 0.938 1.900 ( 0.144 0.000 -1.724) 1.730 1.903 ( 0.098 0.000 2.556) 2.558 1.918 ( 1.317 0.000 0.748) 1.515 1.934 ( 1.583 0.000 0.253) 1.603 1.941 ( 1.876 0.000 -1.888) 2.662 1.951 ( -0.776 0.000 1.393) 1.595 1.970 ( 0.236 0.000 -0.704) 0.743 1.993 ( 1.985 0.000 -0.084) 1.987 2.010 ( -0.764 0.000 2.106) 2.241 2.031 ( 1.256 0.000 -1.314) 1.818 2.111 ( 0.502 0.000 0.157) 0.526 2.137 ( 1.044 0.000 -0.184) 1.060 2.155 ( -0.877 0.000 -0.093) 0.881 2.194 ( -2.009 0.000 -0.235) 2.023 2.253 ( 0.047 0.000 0.827) 0.828 2.265 ( 1.645 0.000 0.780) 1.820 2.573 ( 0.905 0.000 -1.119) 1.439 2.578 ( 0.415 0.000 1.122) 1.197 2.753 ( -1.122 0.000 0.472) 1.217 2.772 ( -0.502 0.000 -1.479) 1.562 2.829 ( -0.022 0.000 -0.798) 0.799 2.846 ( -0.343 0.000 0.409) 0.533 2.933 ( 0.360 0.000 -0.862) 0.934 2.942 ( 0.193 0.000 0.731) 0.756 2.997 ( -1.750 0.000 1.352) 2.211 3.004 ( -0.755 0.000 -1.421) 1.609 3.129 ( -1.061 0.000 -0.419) 1.141 3.165 ( -2.140 0.000 -0.658) 2.239 3.249 ( 3.022 0.000 -1.498) 3.373 3.270 ( 2.066 0.000 0.798) 2.215 3.334 ( -1.614 0.000 1.531) 2.225 3.341 ( -0.823 0.000 -0.086) 0.828 3.406 ( 2.834 0.000 -1.194) 3.075 3.413 ( 2.682 0.000 -1.197) 2.938 3.622 ( 1.904 0.000 0.173) 1.912 3.626 ( 0.787 0.000 2.047) 2.193 3.689 ( 0.067 0.000 0.828) 0.831 3.718 ( 0.447 0.000 0.848) 0.958 3.797 ( 1.040 0.000 -5.994) 6.084 3.835 ( -0.782 0.000 5.294) 5.351 3.916 ( -2.154 0.000 -0.516) 2.215 3.954 ( -3.045 0.000 0.810) 3.151 ======================= Grid point 66 (31/40) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -5.200 0.000 -0.960) 5.288 0.392 ( 5.200 0.000 0.960) 5.288 0.453 ( -0.284 0.000 -1.821) 1.843 0.453 ( 0.284 0.000 1.820) 1.843 0.466 ( 3.411 0.000 -4.752) 5.850 0.466 ( -3.411 0.000 4.752) 5.850 0.505 ( 0.004 0.000 -2.991) 2.991 0.505 ( -0.004 0.000 2.991) 2.991 0.555 ( 1.627 0.000 -2.846) 3.279 0.555 ( -1.627 0.000 2.846) 3.279 0.612 ( -1.375 0.000 -1.217) 1.836 0.612 ( 1.375 0.000 1.217) 1.836 0.657 ( 0.205 0.000 -1.065) 1.084 0.657 ( -0.205 0.000 1.065) 1.084 0.668 ( -1.023 0.000 -1.389) 1.726 0.668 ( 1.023 0.000 1.389) 1.726 0.735 ( 2.085 0.000 -4.697) 5.139 0.735 ( -2.085 0.000 4.697) 5.139 0.782 ( -0.017 0.000 -1.238) 1.238 0.782 ( 0.017 0.000 1.238) 1.238 0.824 ( 0.865 0.000 -4.161) 4.250 0.824 ( -0.865 0.000 4.161) 4.250 0.857 ( 0.599 0.000 -2.237) 2.316 0.857 ( -0.599 0.000 2.237) 2.316 0.887 ( 0.243 0.000 -2.816) 2.826 0.887 ( -0.243 0.000 2.816) 2.826 0.930 ( 1.234 0.000 -3.791) 3.987 0.930 ( -1.234 0.000 3.791) 3.987 0.937 ( 0.414 0.000 -1.913) 1.957 0.937 ( -0.414 0.000 1.913) 1.957 0.991 ( 3.614 0.000 -1.877) 4.072 0.991 ( -3.614 0.000 1.877) 4.072 1.008 ( -1.684 0.000 -3.509) 3.892 1.008 ( 1.684 0.000 3.509) 3.892 1.075 ( -1.435 0.000 -0.249) 1.457 1.075 ( 1.435 0.000 0.249) 1.457 1.128 ( -2.258 0.000 -2.218) 3.166 1.128 ( 2.258 0.000 2.218) 3.166 1.145 ( 0.303 0.000 -1.431) 1.462 1.145 ( -0.303 0.000 1.431) 1.462 1.158 ( -1.303 0.000 -0.041) 1.304 1.158 ( 1.303 0.000 0.041) 1.304 1.225 ( 0.254 0.000 -1.379) 1.402 1.225 ( -0.254 0.000 1.379) 1.402 1.245 ( 0.317 0.000 -2.145) 2.168 1.245 ( -0.317 0.000 2.145) 2.168 1.276 ( 0.249 0.000 -1.790) 1.807 1.276 ( -0.249 0.000 1.790) 1.807 1.327 ( -0.347 0.000 -0.750) 0.826 1.327 ( 0.347 0.000 0.750) 0.826 1.353 ( 0.120 0.000 -1.290) 1.295 1.353 ( -0.120 0.000 1.290) 1.295 1.378 ( -0.944 0.000 -0.033) 0.945 1.378 ( 0.944 0.000 0.033) 0.945 1.432 ( 0.614 0.000 -0.690) 0.924 1.432 ( -0.614 0.000 0.690) 0.924 1.481 ( -0.631 0.000 -1.154) 1.315 1.481 ( 0.631 0.000 1.154) 1.315 1.490 ( 0.320 0.000 -0.218) 0.387 1.490 ( -0.320 0.000 0.218) 0.387 1.519 ( 1.131 0.000 -0.731) 1.347 1.519 ( -1.131 0.000 0.731) 1.347 1.552 ( 0.178 0.000 -0.790) 0.809 1.552 ( -0.178 0.000 0.790) 0.809 1.606 ( -2.019 0.000 -0.237) 2.033 1.606 ( 2.019 0.000 0.237) 2.033 1.645 ( -1.646 0.000 -2.642) 3.113 1.645 ( 1.646 0.000 2.642) 3.113 1.728 ( -0.152 0.000 -2.895) 2.899 1.728 ( 0.152 0.000 2.895) 2.899 1.746 ( 0.872 0.000 -0.651) 1.088 1.746 ( -0.872 0.000 0.651) 1.088 1.795 ( 0.670 0.000 -0.719) 0.982 1.795 ( -0.670 0.000 0.719) 0.982 1.837 ( -0.297 0.000 -0.647) 0.711 1.837 ( 0.297 0.000 0.647) 0.711 1.877 ( 0.027 0.000 -1.118) 1.118 1.877 ( -0.027 0.000 1.118) 1.118 1.909 ( 0.765 0.000 -0.667) 1.015 1.909 ( -0.765 0.000 0.667) 1.015 1.938 ( 0.396 0.000 -1.430) 1.484 1.938 ( -0.396 0.000 1.430) 1.484 1.961 ( 0.363 0.000 -0.205) 0.417 1.961 ( -0.363 0.000 0.205) 0.417 1.983 ( 2.346 0.000 -1.349) 2.706 1.983 ( -2.346 0.000 1.349) 2.706 2.030 ( -0.905 0.000 -1.069) 1.401 2.030 ( 0.905 0.000 1.069) 1.401 2.129 ( -0.935 0.000 -0.444) 1.035 2.129 ( 0.935 0.000 0.444) 1.035 2.167 ( 1.098 0.000 -0.932) 1.440 2.167 ( -1.098 0.000 0.932) 1.440 2.265 ( -0.767 0.000 -1.405) 1.601 2.265 ( 0.767 0.000 1.405) 1.601 2.584 ( 0.523 0.000 -1.048) 1.171 2.584 ( -0.523 0.000 1.048) 1.171 2.753 ( -0.502 0.000 -1.376) 1.465 2.753 ( 0.502 0.000 1.376) 1.465 2.834 ( 0.785 0.000 -0.402) 0.882 2.834 ( -0.785 0.000 0.402) 0.882 2.941 ( 0.703 0.000 -0.615) 0.934 2.941 ( -0.703 0.000 0.615) 0.934 2.987 ( -0.022 0.000 -1.879) 1.880 2.987 ( 0.022 0.000 1.879) 1.880 3.131 ( -1.140 0.000 -0.093) 1.144 3.131 ( 1.140 0.000 0.093) 1.144 3.287 ( 1.519 0.000 -1.625) 2.224 3.287 ( -1.519 0.000 1.625) 2.224 3.325 ( -0.506 0.000 -0.734) 0.891 3.325 ( 0.506 0.000 0.734) 0.891 3.435 ( 0.266 0.000 -0.214) 0.341 3.435 ( -0.266 0.000 0.214) 0.341 3.641 ( -0.166 0.000 -0.055) 0.175 3.641 ( 0.166 0.000 0.055) 0.175 3.710 ( -0.924 0.000 -1.909) 2.121 3.710 ( 0.924 0.000 1.909) 2.121 3.824 ( 3.170 0.000 -3.104) 4.436 3.824 ( -3.170 0.000 3.104) 4.436 3.898 ( 1.665 0.000 -2.162) 2.729 3.898 ( -1.665 0.000 2.162) 2.729 ======================= Grid point 69 (32/40) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.328 ( -1.722 3.066 -5.192) 6.270 0.328 ( 1.722 3.066 5.192) 6.270 0.397 ( 0.039 -1.487 -8.099) 8.235 0.397 ( -0.039 -1.487 8.099) 8.235 0.430 ( 0.565 0.229 -1.735) 1.839 0.430 ( -0.565 0.229 1.735) 1.839 0.485 ( 0.374 -1.048 -1.230) 1.659 0.485 ( -0.374 -1.048 1.230) 1.659 0.574 ( 0.717 0.494 -1.121) 1.420 0.574 ( -0.717 0.494 1.121) 1.420 0.639 ( -0.920 -1.426 -0.052) 1.698 0.639 ( 0.920 -1.426 0.052) 1.698 0.683 ( 1.261 0.752 -1.778) 2.306 0.683 ( -1.261 0.752 1.778) 2.306 0.699 ( -2.755 0.229 -0.077) 2.766 0.699 ( 2.755 0.229 0.077) 2.766 0.763 ( -1.388 0.686 -0.567) 1.649 0.763 ( 1.388 0.686 0.567) 1.649 0.777 ( 0.111 1.517 -0.770) 1.705 0.777 ( -0.111 1.517 0.770) 1.705 0.810 ( -0.289 -0.584 -2.009) 2.112 0.810 ( 0.289 -0.584 2.009) 2.112 0.838 ( 0.693 -1.066 -0.894) 1.554 0.838 ( -0.693 -1.066 0.894) 1.554 0.869 ( 0.329 0.188 -2.818) 2.844 0.869 ( -0.329 0.188 2.818) 2.844 0.935 ( 0.524 0.959 -3.311) 3.487 0.935 ( -0.524 0.959 3.311) 3.487 0.962 ( -0.486 1.066 -3.121) 3.333 0.962 ( 0.486 1.066 3.121) 3.333 0.982 ( -1.896 -0.620 -0.688) 2.110 0.982 ( 1.896 -0.620 0.688) 2.110 1.047 ( -0.986 0.380 0.137) 1.065 1.047 ( 0.986 0.380 -0.137) 1.065 1.070 ( 1.012 -1.471 -2.183) 2.820 1.070 ( -1.012 -1.471 2.183) 2.820 1.109 ( -1.946 0.052 -0.817) 2.111 1.109 ( 1.946 0.052 0.817) 2.111 1.151 ( 0.111 -1.337 -0.838) 1.582 1.151 ( -0.111 -1.337 0.838) 1.582 1.196 ( 0.196 -0.463 -1.513) 1.594 1.196 ( -0.196 -0.463 1.513) 1.594 1.244 ( -0.781 0.205 -1.315) 1.543 1.244 ( 0.781 0.205 1.315) 1.543 1.252 ( -0.409 0.360 -1.263) 1.376 1.252 ( 0.409 0.360 1.263) 1.376 1.296 ( 0.716 0.791 -2.145) 2.396 1.296 ( -0.716 0.791 2.145) 2.396 1.307 ( -0.043 0.320 -0.431) 0.539 1.307 ( 0.043 0.320 0.431) 0.539 1.365 ( -0.360 0.180 -0.492) 0.636 1.365 ( 0.360 0.180 0.492) 0.636 1.396 ( -0.021 -0.203 -1.307) 1.323 1.396 ( 0.021 -0.203 1.307) 1.323 1.431 ( -0.956 0.126 0.194) 0.983 1.431 ( 0.956 0.126 -0.194) 0.983 1.470 ( 0.472 -0.715 -1.458) 1.691 1.470 ( -0.472 -0.715 1.458) 1.691 1.495 ( 0.174 -0.533 -1.156) 1.284 1.495 ( -0.174 -0.533 1.156) 1.284 1.525 ( 0.165 0.729 -1.778) 1.929 1.525 ( -0.165 0.729 1.778) 1.929 1.557 ( -0.009 -0.937 -0.958) 1.341 1.557 ( 0.009 -0.937 0.958) 1.341 1.594 ( -1.290 1.502 -0.981) 2.210 1.594 ( 1.290 1.502 0.981) 2.210 1.673 ( -0.257 -0.693 -1.346) 1.536 1.673 ( 0.257 -0.693 1.346) 1.536 1.710 ( 0.771 -0.997 -0.555) 1.377 1.710 ( -0.771 -0.997 0.555) 1.377 1.736 ( -0.523 -2.099 -0.851) 2.325 1.736 ( 0.523 -2.099 0.851) 2.325 1.799 ( 0.060 -0.654 -0.409) 0.774 1.799 ( -0.060 -0.654 0.409) 0.774 1.825 ( -1.491 -1.215 -0.461) 1.978 1.825 ( 1.491 -1.215 0.461) 1.978 1.875 ( -0.963 -1.219 -0.868) 1.780 1.875 ( 0.963 -1.219 0.868) 1.780 1.893 ( -1.198 0.174 -0.758) 1.428 1.893 ( 1.198 0.174 0.758) 1.428 1.920 ( 0.769 0.039 -1.990) 2.134 1.920 ( -0.769 0.039 1.990) 2.134 1.943 ( -0.838 1.288 -0.920) 1.791 1.943 ( 0.838 1.288 0.920) 1.791 1.961 ( -1.067 -0.364 -0.225) 1.149 1.961 ( 1.067 -0.364 0.225) 1.149 1.999 ( -0.275 -0.412 -1.288) 1.380 1.999 ( 0.275 -0.412 1.288) 1.380 2.127 ( -1.748 -3.173 -0.306) 3.635 2.127 ( 1.748 -3.173 0.306) 3.635 2.155 ( -0.225 1.437 -0.632) 1.586 2.155 ( 0.225 1.437 0.632) 1.586 2.283 ( -2.079 1.683 -1.867) 3.262 2.283 ( 2.079 1.683 1.867) 3.262 2.573 ( 0.063 0.442 -0.912) 1.015 2.573 ( -0.063 0.442 0.912) 1.015 2.765 ( 0.466 -1.103 -0.562) 1.322 2.765 ( -0.466 -1.103 0.562) 1.322 2.836 ( -0.230 -0.163 -0.721) 0.774 2.836 ( 0.230 -0.163 0.721) 0.774 2.939 ( 0.125 0.486 -0.739) 0.893 2.939 ( -0.125 0.486 0.739) 0.893 3.009 ( 0.467 -0.823 -0.812) 1.247 3.009 ( -0.467 -0.823 0.812) 1.247 3.190 ( -1.964 1.258 -0.127) 2.336 3.190 ( 1.964 1.258 0.127) 2.336 3.258 ( -1.048 2.492 -1.061) 2.904 3.258 ( 1.048 2.492 1.061) 2.904 3.379 ( 2.899 1.788 -1.610) 3.767 3.379 ( -2.899 1.788 1.610) 3.767 3.388 ( 1.598 2.432 -1.313) 3.192 3.388 ( -1.598 2.432 1.313) 3.192 3.603 ( -0.601 0.059 -0.816) 1.015 3.603 ( 0.601 0.059 0.816) 1.015 3.725 ( -0.935 2.146 -0.658) 2.431 3.725 ( 0.935 2.146 0.658) 2.431 3.803 ( -0.203 -1.438 -5.581) 5.767 3.803 ( 0.203 -1.438 5.581) 5.767 3.933 ( -1.646 -2.556 0.195) 3.047 3.933 ( 1.646 -2.556 -0.195) 3.047 ======================= Grid point 71 (33/40) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 3.044 4.027 -2.793) 5.770 0.375 ( 2.600 -2.942 -5.369) 6.651 0.390 ( 2.728 0.691 -0.256) 2.826 0.436 ( 0.293 -0.741 1.655) 1.837 0.438 ( 0.563 -1.341 3.385) 3.684 0.447 ( 0.891 -0.906 1.390) 1.883 0.492 ( 0.888 0.233 0.257) 0.953 0.520 ( -0.542 -0.045 1.862) 1.940 0.553 ( -0.285 -0.558 1.196) 1.350 0.576 ( -0.111 -0.950 1.629) 1.889 0.612 ( -2.440 1.449 -1.880) 3.404 0.626 ( -0.774 -1.067 -0.813) 1.549 0.658 ( -1.997 -1.224 1.444) 2.751 0.667 ( -0.855 0.458 0.669) 1.178 0.688 ( -0.785 -0.483 -0.780) 1.207 0.720 ( -2.900 0.890 0.388) 3.058 0.731 ( -0.321 1.097 -2.836) 3.058 0.750 ( 0.648 0.026 -0.946) 1.147 0.766 ( -0.087 -1.201 -1.824) 2.185 0.788 ( 0.090 0.386 0.628) 0.743 0.821 ( 1.160 0.787 -1.110) 1.788 0.824 ( -0.013 -0.688 -0.196) 0.716 0.837 ( 0.073 -1.251 1.299) 1.805 0.853 ( 0.866 -0.879 -0.548) 1.350 0.875 ( 0.305 -1.353 0.663) 1.537 0.886 ( 2.081 0.904 -0.489) 2.321 0.921 ( -0.553 0.239 0.484) 0.773 0.940 ( 1.136 1.099 -4.413) 4.688 0.948 ( -0.060 1.958 1.191) 2.293 0.952 ( -0.168 1.560 0.113) 1.573 0.974 ( -1.674 1.338 2.632) 3.394 1.015 ( 0.176 0.672 0.061) 0.697 1.020 ( -2.235 -1.456 0.583) 2.731 1.041 ( -0.256 -1.409 -0.426) 1.494 1.061 ( 1.455 0.095 0.855) 1.690 1.078 ( -1.121 -0.298 -1.502) 1.898 1.098 ( 1.726 -0.482 -0.460) 1.850 1.114 ( -1.616 -0.482 -0.390) 1.731 1.138 ( -0.988 -1.172 0.743) 1.704 1.160 ( -0.134 -0.243 1.476) 1.502 1.178 ( -0.739 -0.308 -0.338) 0.869 1.202 ( -0.163 1.204 0.108) 1.219 1.221 ( 0.110 0.345 -0.720) 0.806 1.224 ( -0.591 0.165 -0.874) 1.067 1.244 ( -1.360 0.839 0.621) 1.714 1.275 ( 0.834 1.388 0.557) 1.712 1.291 ( -0.716 -0.751 1.051) 1.477 1.301 ( 1.323 1.483 -1.972) 2.800 1.315 ( 0.172 -0.245 0.138) 0.330 1.324 ( 0.859 1.529 0.396) 1.798 1.355 ( -0.673 -0.150 -0.199) 0.717 1.366 ( -0.758 0.502 1.060) 1.396 1.396 ( 0.025 -0.706 -0.423) 0.823 1.399 ( -0.613 1.569 -0.066) 1.686 1.411 ( 0.671 -0.670 0.815) 1.251 1.440 ( -0.249 -0.033 -0.432) 0.500 1.469 ( 0.097 -0.319 -0.399) 0.520 1.486 ( 1.627 -0.177 -0.449) 1.697 1.491 ( -0.251 -0.509 0.258) 0.623 1.499 ( -0.580 0.534 -0.701) 1.055 1.517 ( -0.325 -0.196 0.062) 0.385 1.529 ( -0.431 -0.059 -0.671) 0.799 1.543 ( -0.791 -0.739 -0.101) 1.088 1.549 ( -0.458 -0.465 0.305) 0.720 1.578 ( 0.315 0.804 1.322) 1.579 1.615 ( 0.631 0.900 0.749) 1.330 1.649 ( -1.290 0.563 -0.549) 1.511 1.669 ( -1.323 -1.322 -0.631) 1.974 1.700 ( 0.036 -1.236 1.466) 1.917 1.720 ( 0.223 -2.075 -1.926) 2.840 1.740 ( 0.541 -1.373 0.703) 1.635 1.753 ( 0.558 -2.196 0.500) 2.321 1.777 ( -0.766 0.914 -0.795) 1.434 1.801 ( -0.435 0.532 0.386) 0.788 1.819 ( -0.119 -1.946 0.011) 1.949 1.834 ( -0.533 -1.865 0.147) 1.945 1.871 ( -0.136 -0.349 -0.136) 0.399 1.882 ( -0.187 0.297 -0.340) 0.489 1.887 ( 0.634 -2.020 -0.441) 2.163 1.907 ( 0.556 -0.439 -0.724) 1.012 1.914 ( 1.611 0.056 0.001) 1.612 1.921 ( 0.233 0.921 0.595) 1.121 1.943 ( -0.333 0.101 1.537) 1.576 1.966 ( 1.542 0.259 -0.406) 1.616 1.970 ( -0.479 -0.499 0.013) 0.692 1.985 ( 1.262 -0.508 0.198) 1.374 1.990 ( 0.849 0.071 1.404) 1.643 2.015 ( 0.339 -0.763 0.136) 0.846 2.095 ( -0.427 -2.054 -0.109) 2.100 2.123 ( -0.858 -0.377 -0.851) 1.266 2.170 ( 1.088 0.118 -0.814) 1.364 2.190 ( 1.326 -1.280 0.940) 2.069 2.241 ( -0.650 2.282 -0.410) 2.408 2.309 ( -0.716 1.122 1.518) 2.019 2.568 ( 0.308 -0.170 -0.100) 0.366 2.585 ( 0.334 0.302 0.309) 0.547 2.749 ( -0.832 -0.439 0.229) 0.968 2.762 ( -0.403 -1.110 -0.914) 1.493 2.827 ( -0.124 -0.007 -0.470) 0.486 2.840 ( -0.297 -0.120 0.346) 0.472 2.931 ( -0.227 -0.318 -0.161) 0.422 2.943 ( 0.006 0.122 -0.133) 0.180 2.985 ( -1.102 -0.601 0.083) 1.258 3.004 ( -0.868 -0.297 -0.615) 1.104 3.166 ( -0.213 3.047 -0.650) 3.123 3.197 ( -1.454 2.089 -0.203) 2.553 3.259 ( 2.107 1.213 -1.039) 2.644 3.295 ( 1.330 1.612 0.919) 2.283 3.344 ( -1.186 1.817 1.195) 2.477 3.368 ( -0.987 2.473 0.518) 2.713 3.415 ( 1.875 1.307 -0.112) 2.288 3.437 ( 3.067 1.847 -3.182) 4.790 3.613 ( 1.694 -0.663 1.001) 2.076 3.630 ( 1.116 0.240 0.984) 1.507 3.691 ( -1.874 0.494 1.436) 2.412 3.733 ( -1.322 0.155 -1.755) 2.202 3.790 ( 2.147 -0.135 -2.682) 3.438 3.829 ( -0.136 -0.415 4.148) 4.171 3.897 ( -1.378 -1.746 -0.631) 2.312 3.938 ( -1.765 -1.435 0.749) 2.395 ======================= Grid point 72 (34/40) ======================= q-point: (-0.50 0.17 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( -3.385 0.527 -1.665) 3.809 0.398 ( 3.385 0.527 1.665) 3.809 0.420 ( 2.222 -2.359 -4.430) 5.489 0.420 ( -2.222 -2.359 4.430) 5.489 0.449 ( 0.601 -0.833 -0.432) 1.114 0.449 ( -0.601 -0.833 0.432) 1.114 0.497 ( 0.230 -0.687 -2.204) 2.320 0.497 ( -0.230 -0.687 2.204) 2.320 0.570 ( -0.105 1.191 -1.470) 1.895 0.570 ( 0.105 1.191 1.470) 1.895 0.604 ( -1.181 -1.771 -2.136) 3.016 0.604 ( 1.181 -1.771 2.136) 3.016 0.641 ( -1.099 -1.344 -0.572) 1.828 0.641 ( 1.099 -1.344 0.572) 1.828 0.679 ( -0.591 1.415 -1.323) 2.025 0.679 ( 0.591 1.415 1.323) 2.025 0.734 ( 0.819 0.265 -1.563) 1.785 0.734 ( -0.819 0.265 1.563) 1.785 0.780 ( -0.476 -1.000 -0.293) 1.146 0.780 ( 0.476 -1.000 0.293) 1.146 0.821 ( 0.919 0.385 -2.395) 2.594 0.821 ( -0.919 0.385 2.395) 2.594 0.854 ( -0.396 -1.033 -1.113) 1.569 0.854 ( 0.396 -1.033 1.113) 1.569 0.890 ( -0.665 -0.479 -1.054) 1.335 0.890 ( 0.665 -0.479 1.054) 1.335 0.930 ( 1.669 0.313 -2.970) 3.421 0.930 ( -1.669 0.313 2.970) 3.421 0.953 ( 1.121 1.215 -1.347) 2.132 0.953 ( -1.121 1.215 1.347) 2.132 0.992 ( -0.156 1.189 -1.923) 2.266 0.992 ( 0.156 1.189 1.923) 2.266 1.022 ( -0.541 0.804 -2.892) 3.051 1.022 ( 0.541 0.804 2.892) 3.051 1.062 ( -0.205 -0.893 -0.144) 0.928 1.062 ( 0.205 -0.893 0.144) 0.928 1.111 ( -0.889 -0.846 -1.246) 1.749 1.111 ( 0.889 -0.846 1.246) 1.749 1.140 ( -0.123 -0.287 -0.212) 0.377 1.140 ( 0.123 -0.287 0.212) 0.377 1.184 ( -0.846 1.420 -0.022) 1.653 1.184 ( 0.846 1.420 0.022) 1.653 1.224 ( -0.188 0.322 -0.386) 0.536 1.224 ( 0.188 0.322 0.386) 0.536 1.256 ( -1.680 0.266 -0.707) 1.842 1.256 ( 1.680 0.266 0.707) 1.842 1.296 ( -0.626 1.338 -0.390) 1.528 1.296 ( 0.626 1.338 0.390) 1.528 1.328 ( 0.066 0.704 -1.257) 1.442 1.328 ( -0.066 0.704 1.257) 1.442 1.357 ( 0.795 0.626 -0.789) 1.284 1.357 ( -0.795 0.626 0.789) 1.284 1.391 ( 0.063 0.532 -0.267) 0.598 1.391 ( -0.063 0.532 0.267) 0.598 1.431 ( -0.141 -0.236 -0.886) 0.928 1.431 ( 0.141 -0.236 0.886) 0.928 1.475 ( -0.221 0.440 -1.201) 1.298 1.475 ( 0.221 0.440 1.201) 1.298 1.497 ( -0.868 0.115 -0.452) 0.985 1.497 ( 0.868 0.115 0.452) 0.985 1.515 ( 0.164 -0.155 -0.632) 0.671 1.515 ( -0.164 -0.155 0.632) 0.671 1.538 ( 0.384 -1.227 -0.961) 1.606 1.538 ( -0.384 -1.227 0.961) 1.606 1.613 ( -1.741 0.615 -1.497) 2.377 1.613 ( 1.741 0.615 1.497) 2.377 1.641 ( -0.627 -0.249 -2.135) 2.239 1.641 ( 0.627 -0.249 2.135) 2.239 1.710 ( -0.184 -2.151 -1.807) 2.815 1.710 ( 0.184 -2.151 1.807) 2.815 1.748 ( -0.229 -0.052 -0.903) 0.933 1.748 ( 0.229 -0.052 0.903) 0.933 1.787 ( -0.592 -0.457 -0.508) 0.904 1.787 ( 0.592 -0.457 0.508) 0.904 1.820 ( -0.421 -1.689 -0.926) 1.972 1.820 ( 0.421 -1.689 0.926) 1.972 1.873 ( -0.449 -0.409 -0.309) 0.682 1.873 ( 0.449 -0.409 0.309) 0.682 1.902 ( -0.058 -0.339 -0.757) 0.831 1.902 ( 0.058 -0.339 0.757) 0.831 1.936 ( -0.166 -0.176 -0.977) 1.006 1.936 ( 0.166 -0.176 0.977) 1.006 1.949 ( -0.561 -0.917 -0.549) 1.207 1.949 ( 0.561 -0.917 0.549) 1.207 1.993 ( 1.300 0.439 -1.574) 2.088 1.993 ( -1.300 0.439 1.574) 2.088 2.011 ( 0.099 -0.974 -1.508) 1.798 2.011 ( -0.099 -0.974 1.508) 1.798 2.105 ( -0.629 -1.050 -0.918) 1.530 2.105 ( 0.629 -1.050 0.918) 1.530 2.184 ( 1.025 0.287 -0.762) 1.309 2.184 ( -1.025 0.287 0.762) 1.309 2.274 ( -2.500 0.822 -0.433) 2.667 2.274 ( 2.500 0.822 0.433) 2.667 2.581 ( 0.199 -0.372 -0.846) 0.945 2.581 ( -0.199 -0.372 0.846) 0.945 2.748 ( -0.390 -0.595 -0.899) 1.146 2.748 ( 0.390 -0.595 0.899) 1.146 2.830 ( 0.264 0.091 -0.274) 0.391 2.830 ( -0.264 0.091 0.274) 0.391 2.935 ( -0.409 -0.775 -0.132) 0.886 2.935 ( 0.409 -0.775 0.132) 0.886 2.984 ( -0.223 0.008 -1.105) 1.127 2.984 ( 0.223 0.008 1.105) 1.127 3.171 ( -0.101 3.219 -0.236) 3.229 3.171 ( 0.101 3.219 0.236) 3.229 3.292 ( 1.484 0.486 -1.656) 2.276 3.292 ( -1.484 0.486 1.656) 2.276 3.351 ( -0.977 2.683 -0.229) 2.864 3.351 ( 0.977 2.683 0.229) 2.864 3.447 ( -0.599 1.073 -1.418) 1.876 3.447 ( 0.599 1.073 1.418) 1.876 3.644 ( -0.112 0.280 -0.260) 0.398 3.644 ( 0.112 0.280 0.260) 0.398 3.688 ( -1.101 -1.905 -3.241) 3.917 3.688 ( 1.101 -1.905 3.241) 3.917 3.829 ( 1.905 0.176 -2.092) 2.834 3.829 ( -1.905 0.176 2.092) 2.834 3.895 ( 1.925 -0.178 -2.039) 2.810 3.895 ( -1.925 -0.178 2.039) 2.810 ======================= Grid point 75 (35/40) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( -0.324 1.734 -3.688) 4.088 0.369 ( 0.324 1.734 3.688) 4.088 0.424 ( 0.809 1.687 -0.956) 2.101 0.424 ( -0.809 1.687 0.956) 2.101 0.435 ( 0.117 1.893 -1.779) 2.600 0.435 ( -0.117 1.893 1.779) 2.600 0.484 ( -2.523 0.899 -0.514) 2.727 0.484 ( 2.523 0.899 0.514) 2.727 0.568 ( 0.248 -1.185 -0.626) 1.363 0.568 ( -0.248 -1.185 0.626) 1.363 0.613 ( -1.551 -1.543 -0.681) 2.291 0.613 ( 1.551 -1.543 0.681) 2.291 0.693 ( -0.352 0.485 -1.600) 1.709 0.693 ( 0.352 0.485 1.600) 1.709 0.705 ( -0.999 0.303 -0.598) 1.203 0.705 ( 0.999 0.303 0.598) 1.203 0.752 ( 1.293 -0.983 -1.771) 2.403 0.752 ( -1.293 -0.983 1.771) 2.403 0.782 ( 1.835 -1.363 -2.568) 3.438 0.782 ( -1.835 -1.363 2.568) 3.438 0.813 ( -0.017 0.484 -1.607) 1.678 0.813 ( 0.017 0.484 1.607) 1.678 0.832 ( -0.910 1.688 -0.325) 1.945 0.832 ( 0.910 1.688 0.325) 1.945 0.870 ( -1.500 -0.989 -0.408) 1.843 0.870 ( 1.500 -0.989 0.408) 1.843 0.930 ( -1.107 -1.651 -0.013) 1.988 0.930 ( 1.107 -1.651 0.013) 1.988 0.971 ( -0.098 0.870 -4.489) 4.573 0.971 ( 0.098 0.870 4.489) 4.573 1.011 ( 0.605 1.011 -2.630) 2.882 1.011 ( -0.605 1.011 2.630) 2.882 1.039 ( -1.546 -0.772 -0.477) 1.792 1.039 ( 1.546 -0.772 0.477) 1.792 1.061 ( -0.716 0.887 -2.558) 2.801 1.061 ( 0.716 0.887 2.558) 2.801 1.108 ( -1.205 0.527 -1.838) 2.260 1.108 ( 1.205 0.527 1.838) 2.260 1.135 ( 0.424 -0.273 -1.686) 1.759 1.135 ( -0.424 -0.273 1.686) 1.759 1.188 ( -0.841 -0.378 -1.220) 1.529 1.188 ( 0.841 -0.378 1.220) 1.529 1.237 ( -1.174 -0.874 -1.423) 2.042 1.237 ( 1.174 -0.874 1.423) 2.042 1.254 ( -0.716 -0.076 -0.660) 0.977 1.254 ( 0.716 -0.076 0.660) 0.977 1.288 ( 0.732 -0.369 -0.678) 1.064 1.288 ( -0.732 -0.369 0.678) 1.064 1.332 ( -0.662 0.942 -1.754) 2.098 1.332 ( 0.662 0.942 1.754) 2.098 1.367 ( 0.560 -0.142 -1.137) 1.276 1.367 ( -0.560 -0.142 1.137) 1.276 1.393 ( -0.551 0.539 -0.901) 1.185 1.393 ( 0.551 0.539 0.901) 1.185 1.443 ( -0.129 1.141 -0.380) 1.209 1.443 ( 0.129 1.141 0.380) 1.209 1.462 ( -0.372 -0.445 -1.276) 1.402 1.462 ( 0.372 -0.445 1.276) 1.402 1.486 ( 1.055 -0.629 -0.781) 1.455 1.486 ( -1.055 -0.629 0.781) 1.455 1.526 ( 0.610 -0.973 -1.256) 1.702 1.526 ( -0.610 -0.973 1.256) 1.702 1.542 ( -0.296 -0.001 -0.936) 0.981 1.542 ( 0.296 -0.001 0.936) 0.981 1.614 ( -0.781 0.363 -0.291) 0.909 1.614 ( 0.781 0.363 0.291) 0.909 1.665 ( -0.240 -0.700 -0.928) 1.187 1.665 ( 0.240 -0.700 0.928) 1.187 1.671 ( -1.075 -3.124 -1.020) 3.457 1.671 ( 1.075 -3.124 1.020) 3.457 1.708 ( -0.629 0.518 -0.404) 0.909 1.708 ( 0.629 0.518 0.404) 0.909 1.784 ( 0.391 -0.443 -0.833) 1.021 1.784 ( -0.391 -0.443 0.833) 1.021 1.817 ( -0.587 -0.547 -0.481) 0.935 1.817 ( 0.587 -0.547 0.481) 0.935 1.858 ( -0.454 -0.060 -0.194) 0.497 1.858 ( 0.454 -0.060 0.194) 0.497 1.890 ( 0.436 -0.261 -0.562) 0.757 1.890 ( -0.436 -0.261 0.562) 0.757 1.925 ( 0.274 0.285 -1.434) 1.488 1.925 ( -0.274 0.285 1.434) 1.488 1.956 ( 0.184 0.684 -0.840) 1.098 1.956 ( -0.184 0.684 0.840) 1.098 1.968 ( -0.704 0.257 -2.338) 2.455 1.968 ( 0.704 0.257 2.338) 2.455 1.997 ( -0.987 -0.300 -0.660) 1.225 1.997 ( 0.987 -0.300 0.660) 1.225 2.070 ( -0.300 -2.094 -0.351) 2.145 2.070 ( 0.300 -2.094 0.351) 2.145 2.184 ( -1.269 1.238 -0.841) 1.962 2.184 ( 1.269 1.238 0.841) 1.962 2.294 ( -1.275 -0.194 -0.947) 1.600 2.294 ( 1.275 -0.194 0.947) 1.600 2.581 ( 0.004 0.300 -0.424) 0.520 2.581 ( -0.004 0.300 0.424) 0.520 2.743 ( -0.030 -1.022 -0.244) 1.052 2.743 ( 0.030 -1.022 0.244) 1.052 2.836 ( -0.194 0.162 -0.354) 0.434 2.836 ( 0.194 0.162 0.354) 0.434 2.950 ( 0.411 0.551 -0.341) 0.767 2.950 ( -0.411 0.551 0.341) 0.767 2.992 ( -0.469 -0.851 -0.141) 0.982 2.992 ( 0.469 -0.851 0.141) 0.982 3.212 ( -0.363 0.898 -0.281) 1.008 3.212 ( 0.363 0.898 0.281) 1.008 3.286 ( -0.075 0.474 -1.144) 1.241 3.286 ( 0.075 0.474 1.144) 1.241 3.421 ( 2.028 2.221 -1.846) 3.529 3.421 ( -2.028 2.221 1.846) 3.529 3.444 ( -0.256 2.908 -1.024) 3.094 3.444 ( 0.256 2.908 1.024) 3.094 3.607 ( -0.883 0.274 -0.621) 1.114 3.607 ( 0.883 0.274 0.621) 1.114 3.744 ( 0.346 -1.110 -3.034) 3.249 3.744 ( -0.346 -1.110 3.034) 3.249 3.794 ( -2.590 1.701 -0.885) 3.223 3.794 ( 2.590 1.701 0.885) 3.223 3.883 ( -1.397 -2.543 0.023) 2.901 3.883 ( 1.397 -2.543 -0.023) 2.901 ======================= Grid point 77 (36/40) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.358 ( 0.837 1.086 -2.149) 2.549 0.398 ( -0.574 4.901 -2.235) 5.417 0.407 ( 1.031 0.344 0.909) 1.416 0.429 ( -0.075 0.560 1.187) 1.315 0.434 ( 0.520 1.040 -0.240) 1.188 0.447 ( 0.295 0.998 1.090) 1.507 0.482 ( 1.299 -0.755 2.652) 3.048 0.521 ( 0.531 -0.427 -0.632) 0.929 0.537 ( -2.779 -0.448 -0.721) 2.906 0.560 ( 0.236 -1.401 1.355) 1.963 0.598 ( 0.373 -1.084 0.024) 1.147 0.619 ( -2.191 -1.726 1.764) 3.300 0.646 ( -2.918 1.128 -0.529) 3.173 0.666 ( -2.728 -0.794 -0.983) 3.006 0.690 ( -0.529 -0.100 0.440) 0.695 0.709 ( -1.889 -1.317 0.442) 2.344 0.723 ( 0.047 -0.531 -0.214) 0.574 0.748 ( -1.042 -0.607 0.245) 1.231 0.756 ( -0.355 -1.148 -1.317) 1.782 0.792 ( -1.155 -0.427 -1.186) 1.710 0.816 ( 1.501 -0.989 -1.182) 2.151 0.824 ( 0.043 0.932 -0.425) 1.025 0.830 ( 0.442 0.510 1.060) 1.256 0.846 ( 0.820 1.475 0.421) 1.739 0.849 ( 0.371 -0.113 0.233) 0.453 0.894 ( 0.417 -0.455 -1.394) 1.524 0.915 ( -0.415 -0.552 0.203) 0.720 0.935 ( -0.064 -0.940 -1.731) 1.971 0.969 ( -0.766 -1.584 -0.801) 1.934 0.985 ( -0.364 -1.021 -1.128) 1.564 0.993 ( -1.049 -0.187 0.200) 1.084 1.007 ( -1.830 -2.235 0.350) 2.909 1.029 ( 2.068 1.766 -0.079) 2.721 1.033 ( 1.416 3.876 0.783) 4.200 1.063 ( 0.782 0.891 0.951) 1.520 1.088 ( -0.306 1.732 -2.286) 2.884 1.097 ( 1.556 0.400 0.846) 1.816 1.123 ( -0.466 0.610 0.235) 0.803 1.134 ( -0.214 1.095 0.330) 1.163 1.149 ( -0.560 -0.526 2.179) 2.311 1.176 ( 0.772 -0.085 0.054) 0.779 1.202 ( 0.208 -1.203 -0.125) 1.227 1.225 ( -0.074 0.012 -1.578) 1.580 1.234 ( 0.195 1.028 0.777) 1.303 1.248 ( -1.399 -0.750 -0.658) 1.718 1.281 ( 0.260 -0.134 1.063) 1.102 1.287 ( 1.300 -0.103 1.823) 2.241 1.301 ( 0.401 -1.010 0.043) 1.088 1.324 ( 1.030 0.683 -1.544) 1.978 1.346 ( 0.021 0.305 0.751) 0.811 1.360 ( -0.256 0.761 0.998) 1.281 1.371 ( 0.040 -0.738 -1.017) 1.257 1.394 ( 0.574 0.948 0.621) 1.270 1.408 ( 0.603 1.133 0.059) 1.285 1.425 ( -0.756 0.496 0.286) 0.949 1.442 ( -0.255 1.145 -0.378) 1.232 1.468 ( 0.430 -0.294 -0.025) 0.521 1.477 ( 0.434 -1.056 -0.690) 1.334 1.485 ( 0.705 -0.093 1.164) 1.364 1.498 ( 0.850 -0.515 -2.068) 2.294 1.510 ( -0.996 -0.907 0.173) 1.358 1.523 ( 0.051 -0.289 0.368) 0.471 1.531 ( -0.600 0.249 -0.339) 0.733 1.549 ( -0.451 0.227 0.689) 0.854 1.605 ( 0.261 1.258 0.577) 1.409 1.621 ( -0.272 -0.391 0.358) 0.595 1.634 ( -0.985 -1.951 -2.370) 3.224 1.653 ( -0.554 -1.823 -1.229) 2.267 1.671 ( -0.097 -0.564 0.634) 0.854 1.694 ( -0.741 0.531 0.090) 0.916 1.702 ( 1.094 -2.515 1.443) 3.099 1.724 ( 0.696 -0.361 0.087) 0.789 1.783 ( -0.368 0.097 1.016) 1.085 1.794 ( 0.648 -0.916 -0.367) 1.181 1.801 ( -0.856 -0.706 -0.700) 1.312 1.814 ( -0.756 0.311 -0.045) 0.819 1.859 ( 0.340 -0.569 0.015) 0.663 1.868 ( 0.360 -0.341 0.115) 0.509 1.881 ( -0.105 -0.352 -0.494) 0.615 1.887 ( 0.276 -1.208 -1.134) 1.680 1.920 ( -0.114 0.026 -0.002) 0.117 1.933 ( -0.973 -1.428 1.309) 2.169 1.942 ( 0.137 1.187 -0.284) 1.228 1.961 ( -0.171 1.086 1.080) 1.541 1.978 ( 0.900 0.222 -0.244) 0.959 1.984 ( 1.369 0.217 -1.153) 1.803 1.997 ( 0.705 -0.364 0.741) 1.086 2.010 ( 0.010 0.565 1.501) 1.604 2.072 ( 0.890 -0.644 0.726) 1.316 2.096 ( 1.267 -2.270 -0.091) 2.602 2.155 ( -0.755 0.630 -0.990) 1.395 2.199 ( -0.190 -0.086 -0.374) 0.428 2.273 ( -0.163 1.231 0.010) 1.242 2.309 ( -0.399 -0.720 0.742) 1.109 2.569 ( -0.441 0.263 0.175) 0.542 2.584 ( -0.357 -0.347 0.209) 0.540 2.737 ( -0.341 -0.668 -0.028) 0.751 2.740 ( -0.333 -0.985 -0.010) 1.040 2.832 ( 0.130 0.526 -0.236) 0.591 2.842 ( 0.087 0.129 0.083) 0.177 2.929 ( -1.275 0.197 0.361) 1.339 2.941 ( -0.963 -0.127 -0.422) 1.059 2.981 ( -0.106 -0.114 -0.918) 0.931 2.992 ( -0.463 -0.849 -0.442) 1.063 3.212 ( 0.406 1.562 -0.338) 1.648 3.220 ( 0.079 0.600 0.117) 0.617 3.287 ( 0.933 1.311 0.012) 1.609 3.308 ( 0.800 0.079 0.659) 1.040 3.400 ( -0.335 3.219 0.673) 3.306 3.424 ( -0.771 3.010 0.056) 3.108 3.446 ( 0.546 1.333 -0.331) 1.478 3.468 ( 1.865 1.189 -2.821) 3.585 3.606 ( 1.167 0.127 0.323) 1.217 3.632 ( 1.208 -0.210 0.098) 1.230 3.697 ( -3.036 -0.181 1.459) 3.373 3.713 ( -3.403 -1.451 -1.291) 3.918 3.798 ( 1.695 0.731 1.027) 2.112 3.834 ( 0.167 0.525 1.382) 1.487 3.867 ( 1.009 -0.883 -0.946) 1.641 3.909 ( 0.292 -1.548 0.538) 1.665 ======================= Grid point 78 (37/40) ======================= q-point: (-0.50 0.33 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 3.653 -0.984 -1.947) 4.255 0.383 ( -3.653 -0.984 1.947) 4.255 0.423 ( -1.263 1.376 -0.493) 1.932 0.423 ( 1.263 1.376 0.493) 1.932 0.447 ( 0.257 0.554 -0.457) 0.763 0.447 ( -0.257 0.554 0.457) 0.763 0.487 ( 0.495 -0.115 -0.939) 1.068 0.487 ( -0.495 -0.115 0.939) 1.068 0.552 ( -1.412 -2.262 -2.018) 3.344 0.552 ( 1.412 -2.262 2.018) 3.344 0.607 ( -0.164 0.800 -1.192) 1.444 0.607 ( 0.164 0.800 1.192) 1.444 0.621 ( -0.903 0.346 -0.739) 1.216 0.621 ( 0.903 0.346 0.739) 1.216 0.691 ( -0.212 -0.280 -0.231) 0.420 0.691 ( 0.212 -0.280 0.231) 0.420 0.723 ( 0.015 -2.408 -0.632) 2.490 0.723 ( -0.015 -2.408 0.632) 2.490 0.766 ( -0.807 0.479 -0.146) 0.950 0.766 ( 0.807 0.479 0.146) 0.950 0.829 ( -0.075 -0.648 -0.515) 0.831 0.829 ( 0.075 -0.648 0.515) 0.831 0.838 ( -1.053 0.617 -0.494) 1.317 0.838 ( 1.053 0.617 0.494) 1.317 0.875 ( -0.680 -0.616 -1.678) 1.913 0.875 ( 0.680 -0.616 1.678) 1.913 0.921 ( -0.760 -0.707 -0.279) 1.075 0.921 ( 0.760 -0.707 0.279) 1.075 0.967 ( -0.071 -0.581 -1.849) 1.940 0.967 ( 0.071 -0.581 1.849) 1.940 0.985 ( 0.868 -2.049 -3.415) 4.076 0.985 ( -0.868 -2.049 3.415) 4.076 1.060 ( 0.266 3.352 -2.372) 4.115 1.060 ( -0.266 3.352 2.372) 4.115 1.083 ( -0.044 2.382 -2.253) 3.279 1.083 ( 0.044 2.382 2.253) 3.279 1.103 ( -0.192 -0.237 -1.097) 1.139 1.103 ( 0.192 -0.237 1.097) 1.139 1.140 ( 0.441 0.873 -1.290) 1.619 1.140 ( -0.441 0.873 1.290) 1.619 1.204 ( -1.400 0.414 -0.889) 1.709 1.204 ( 1.400 0.414 0.889) 1.709 1.215 ( -1.007 -1.401 -0.889) 1.941 1.215 ( 1.007 -1.401 0.889) 1.941 1.263 ( -1.610 0.822 -0.487) 1.872 1.263 ( 1.610 0.822 0.487) 1.872 1.305 ( 0.260 -0.365 -0.373) 0.584 1.305 ( -0.260 -0.365 0.373) 0.584 1.344 ( 1.061 0.254 -1.145) 1.582 1.344 ( -1.061 0.254 1.145) 1.582 1.367 ( -0.340 0.144 -0.570) 0.679 1.367 ( 0.340 0.144 0.570) 0.679 1.406 ( -0.173 1.268 -1.965) 2.346 1.406 ( 0.173 1.268 1.965) 2.346 1.429 ( -0.250 0.340 -1.138) 1.213 1.429 ( 0.250 0.340 1.138) 1.213 1.474 ( 0.023 -0.953 -1.402) 1.696 1.474 ( -0.023 -0.953 1.402) 1.696 1.505 ( -0.952 -0.060 -1.027) 1.402 1.505 ( 0.952 -0.060 1.027) 1.402 1.512 ( -0.063 0.162 -0.632) 0.655 1.512 ( 0.063 0.162 0.632) 0.655 1.528 ( 1.240 0.658 -0.910) 1.673 1.528 ( -1.240 0.658 0.910) 1.673 1.617 ( 0.190 -0.855 -2.303) 2.464 1.617 ( -0.190 -0.855 2.303) 2.464 1.632 ( -0.516 -0.622 -1.511) 1.713 1.632 ( 0.516 -0.622 1.511) 1.713 1.677 ( -0.755 -0.269 0.028) 0.802 1.677 ( 0.755 -0.269 -0.028) 0.802 1.726 ( -0.496 -1.949 -0.948) 2.224 1.726 ( 0.496 -1.949 0.948) 2.224 1.784 ( -0.197 0.173 -0.844) 0.884 1.784 ( 0.197 0.173 0.844) 0.884 1.802 ( 0.470 -0.163 -0.739) 0.890 1.802 ( -0.470 -0.163 0.739) 0.890 1.865 ( -0.224 -0.375 -0.312) 0.537 1.865 ( 0.224 -0.375 0.312) 0.537 1.889 ( 0.761 -1.154 -0.815) 1.604 1.889 ( -0.761 -1.154 0.815) 1.604 1.917 ( -0.361 -1.413 -0.604) 1.578 1.917 ( 0.361 -1.413 0.604) 1.578 1.955 ( 0.878 1.049 -1.276) 1.871 1.955 ( -0.878 1.049 1.276) 1.871 1.994 ( -0.234 0.429 -0.668) 0.828 1.994 ( 0.234 0.429 0.668) 0.828 2.011 ( 0.715 0.175 -1.128) 1.347 2.011 ( -0.715 0.175 1.128) 1.347 2.095 ( -0.762 -0.173 -1.045) 1.304 2.095 ( 0.762 -0.173 1.045) 1.304 2.171 ( -1.869 -1.275 -0.803) 2.400 2.171 ( 1.869 -1.275 0.803) 2.400 2.289 ( -1.392 0.694 -0.176) 1.565 2.289 ( 1.392 0.694 0.176) 1.565 2.572 ( -0.140 -0.420 -0.434) 0.621 2.572 ( 0.140 -0.420 0.434) 0.621 2.734 ( -0.121 -0.694 -0.093) 0.711 2.734 ( 0.121 -0.694 0.093) 0.711 2.838 ( -0.189 0.458 -0.180) 0.527 2.838 ( 0.189 0.458 0.180) 0.527 2.923 ( -0.413 -0.203 -0.502) 0.681 2.923 ( 0.413 -0.203 0.502) 0.681 2.981 ( 0.268 -0.434 -0.370) 0.630 2.981 ( -0.268 -0.434 0.370) 0.630 3.218 ( 0.186 1.365 -0.445) 1.448 3.218 ( -0.186 1.365 0.445) 1.448 3.307 ( 0.369 1.074 -1.217) 1.665 3.307 ( -0.369 1.074 1.217) 1.665 3.409 ( -0.726 3.024 0.170) 3.114 3.409 ( 0.726 3.024 -0.170) 3.114 3.465 ( -0.573 0.449 -1.863) 2.000 3.465 ( 0.573 0.449 1.863) 2.000 3.648 ( -2.204 -0.295 -0.398) 2.260 3.648 ( 2.204 -0.295 0.398) 2.260 3.656 ( 1.559 -0.873 -2.350) 2.952 3.656 ( -1.559 -0.873 2.350) 2.952 3.826 ( -0.249 -0.289 -0.582) 0.696 3.826 ( 0.249 -0.289 0.582) 0.696 3.896 ( 0.811 0.213 -1.509) 1.727 3.896 ( -0.811 0.213 1.509) 1.727 ======================= Grid point 81 (38/40) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( -0.000 0.000 0.000) 0.000 0.383 ( -0.000 0.000 0.000) 0.000 0.444 ( -0.000 0.000 0.000) 0.000 0.444 ( -0.000 0.000 0.000) 0.000 0.468 ( -0.000 0.000 0.000) 0.000 0.468 ( -0.000 0.000 0.000) 0.000 0.518 ( -0.000 0.000 0.000) 0.000 0.518 ( -0.000 0.000 0.000) 0.000 0.526 ( 0.000 -0.000 0.000) 0.000 0.526 ( -0.000 0.000 0.000) 0.000 0.593 ( 0.000 0.000 0.000) 0.000 0.593 ( -0.000 0.000 0.000) 0.000 0.697 ( 0.000 0.000 0.000) 0.000 0.697 ( -0.000 0.000 0.000) 0.000 0.716 ( -0.000 0.000 0.000) 0.000 0.716 ( 0.000 0.000 0.000) 0.000 0.735 ( -0.000 -0.000 -0.000) 0.000 0.735 ( -0.000 0.000 0.000) 0.000 0.768 ( 0.000 0.000 -0.000) 0.000 0.768 ( 0.000 0.000 0.000) 0.000 0.825 ( -0.000 0.000 -0.000) 0.000 0.825 ( 0.000 0.000 0.000) 0.000 0.836 ( -0.000 0.000 -0.000) 0.000 0.836 ( 0.000 0.000 0.000) 0.000 0.882 ( 0.000 -0.000 0.000) 0.000 0.882 ( -0.000 0.000 0.000) 0.000 0.894 ( 0.000 -0.000 0.000) 0.000 0.894 ( 0.000 0.000 0.000) 0.000 0.981 ( 0.000 0.000 -0.000) 0.000 0.981 ( -0.000 0.000 0.000) 0.000 1.001 ( 0.000 -0.000 0.000) 0.000 1.001 ( -0.000 0.000 0.000) 0.000 1.043 ( -0.000 0.000 0.000) 0.000 1.043 ( -0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 -0.000) 0.000 1.066 ( -0.000 0.000 0.000) 0.000 1.127 ( -0.000 0.000 0.000) 0.000 1.127 ( -0.000 0.000 0.000) 0.000 1.137 ( -0.000 0.000 -0.000) 0.000 1.137 ( -0.000 0.000 0.000) 0.000 1.187 ( -0.000 0.000 0.000) 0.000 1.187 ( 0.000 0.000 0.000) 0.000 1.220 ( -0.000 0.000 -0.000) 0.000 1.220 ( 0.000 0.000 0.000) 0.000 1.252 ( -0.000 0.000 0.000) 0.000 1.252 ( -0.000 0.000 0.000) 0.000 1.286 ( -0.000 0.000 0.000) 0.000 1.286 ( 0.000 0.000 0.000) 0.000 1.344 ( -0.000 0.000 0.000) 0.000 1.344 ( -0.000 0.000 0.000) 0.000 1.361 ( -0.000 -0.000 -0.000) 0.000 1.361 ( 0.000 0.000 0.000) 0.000 1.407 ( -0.000 0.000 -0.000) 0.000 1.407 ( -0.000 0.000 0.000) 0.000 1.448 ( -0.000 0.000 0.000) 0.000 1.448 ( -0.000 0.000 0.000) 0.000 1.462 ( 0.000 -0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.483 ( 0.000 -0.000 -0.000) 0.000 1.483 ( 0.000 0.000 -0.000) 0.000 1.509 ( -0.000 0.000 0.000) 0.000 1.509 ( -0.000 0.000 0.000) 0.000 1.542 ( -0.000 0.000 0.000) 0.000 1.542 ( -0.000 0.000 0.000) 0.000 1.617 ( -0.000 0.000 -0.000) 0.000 1.617 ( -0.000 0.000 0.000) 0.000 1.629 ( 0.000 0.000 -0.000) 0.000 1.629 ( 0.000 0.000 0.000) 0.000 1.662 ( -0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.719 ( -0.000 0.000 0.000) 0.000 1.719 ( -0.000 0.000 0.000) 0.000 1.784 ( 0.000 0.000 0.000) 0.000 1.784 ( -0.000 0.000 0.000) 0.000 1.803 ( -0.000 0.000 0.000) 0.000 1.803 ( -0.000 0.000 0.000) 0.000 1.864 ( 0.000 0.000 0.000) 0.000 1.864 ( -0.000 0.000 0.000) 0.000 1.890 ( -0.000 0.000 -0.000) 0.000 1.890 ( -0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 1.928 ( -0.000 0.000 0.000) 0.000 1.953 ( -0.000 0.000 -0.000) 0.000 1.953 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 1.982 ( 0.000 0.000 0.000) 0.000 1.986 ( -0.000 -0.000 -0.000) 0.000 1.986 ( -0.000 0.000 0.000) 0.000 2.051 ( -0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.197 ( -0.000 0.000 0.000) 0.000 2.197 ( -0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.583 ( -0.000 0.000 0.000) 0.000 2.583 ( -0.000 0.000 0.000) 0.000 2.732 ( -0.000 0.000 0.000) 0.000 2.732 ( -0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 2.956 ( 0.000 0.000 -0.000) 0.000 2.956 ( -0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 -0.000) 0.000 2.983 ( -0.000 0.000 0.000) 0.000 3.221 ( -0.000 0.000 0.000) 0.000 3.221 ( -0.000 0.000 0.000) 0.000 3.288 ( -0.000 0.000 0.000) 0.000 3.288 ( -0.000 0.000 0.000) 0.000 3.444 ( -0.000 0.000 -0.000) 0.000 3.444 ( -0.000 0.000 0.000) 0.000 3.476 ( -0.000 0.000 0.000) 0.000 3.476 ( 0.000 0.000 0.000) 0.000 3.610 ( 0.000 0.000 0.000) 0.000 3.610 ( -0.000 0.000 0.000) 0.000 3.726 ( 0.000 0.000 0.000) 0.000 3.726 ( -0.000 0.000 0.000) 0.000 3.835 ( -0.000 -0.000 0.000) 0.000 3.835 ( -0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 3.841 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 85 (39/40) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( -0.117 -1.544 0.720) 1.708 0.386 ( -0.117 1.544 0.720) 1.708 0.448 ( -0.662 -0.648 0.566) 1.086 0.448 ( -0.662 0.648 0.566) 1.086 0.474 ( -0.458 -1.177 -0.039) 1.263 0.474 ( -0.458 1.177 -0.039) 1.263 0.494 ( -0.758 -3.229 -0.904) 3.438 0.494 ( -0.758 3.229 -0.904) 3.438 0.519 ( -0.569 -1.668 -0.205) 1.774 0.519 ( -0.569 1.668 -0.205) 1.774 0.599 ( 0.722 -0.798 1.140) 1.568 0.599 ( 0.722 0.798 1.140) 1.568 0.656 ( -2.263 -0.412 -0.309) 2.321 0.656 ( -2.263 0.412 -0.309) 2.321 0.687 ( -1.709 -0.898 0.658) 2.040 0.687 ( -1.709 0.898 0.658) 2.040 0.723 ( -1.727 -0.832 -0.556) 1.995 0.723 ( -1.727 0.832 -0.556) 1.995 0.770 ( 0.812 -1.542 -1.960) 2.623 0.770 ( 0.812 1.542 -1.960) 2.623 0.815 ( 0.338 -0.277 -0.274) 0.516 0.815 ( 0.338 0.277 -0.274) 0.516 0.854 ( -0.952 -1.532 1.547) 2.376 0.854 ( -0.952 1.532 1.547) 2.376 0.892 ( -0.028 -2.166 -0.250) 2.181 0.892 ( -0.028 2.166 -0.250) 2.181 0.901 ( 0.811 -2.122 0.086) 2.273 0.901 ( 0.811 2.122 0.086) 2.273 0.955 ( -1.355 -1.241 0.057) 1.838 0.955 ( -1.355 1.241 0.057) 1.838 0.983 ( -1.019 -0.219 -1.463) 1.796 0.983 ( -1.019 0.219 -1.463) 1.796 1.061 ( 2.432 -0.821 -0.297) 2.584 1.061 ( 2.432 0.821 -0.297) 2.584 1.086 ( 1.047 -1.671 -0.141) 1.977 1.086 ( 1.047 1.671 -0.141) 1.977 1.129 ( -0.041 -1.014 -0.863) 1.333 1.129 ( -0.041 1.014 -0.863) 1.333 1.149 ( 0.311 -0.241 1.964) 2.004 1.149 ( 0.311 0.241 1.964) 2.004 1.179 ( 0.304 -0.957 -0.037) 1.005 1.179 ( 0.304 0.957 -0.037) 1.005 1.230 ( -1.335 -0.815 -0.734) 1.728 1.230 ( -1.335 0.815 -0.734) 1.728 1.258 ( 2.003 -1.888 0.518) 2.801 1.258 ( 2.003 1.888 0.518) 2.801 1.288 ( -0.113 -0.477 1.194) 1.290 1.288 ( -0.113 0.477 1.194) 1.290 1.340 ( 0.335 -1.067 -0.873) 1.418 1.340 ( 0.335 1.067 -0.873) 1.418 1.366 ( -0.077 -0.202 0.706) 0.738 1.366 ( -0.077 0.202 0.706) 0.738 1.413 ( 0.384 -1.024 1.201) 1.625 1.413 ( 0.384 1.024 1.201) 1.625 1.445 ( -0.852 -1.652 -0.768) 2.012 1.445 ( -0.852 1.652 -0.768) 2.012 1.461 ( 0.847 -0.691 -1.477) 1.837 1.461 ( 0.847 0.691 -1.477) 1.837 1.487 ( 0.216 -1.155 0.252) 1.201 1.487 ( 0.216 1.155 0.252) 1.201 1.514 ( 0.665 -1.188 0.166) 1.372 1.514 ( 0.665 1.188 0.166) 1.372 1.543 ( -0.245 -0.860 0.354) 0.962 1.543 ( -0.245 0.860 0.354) 0.962 1.604 ( -0.247 -0.373 -1.444) 1.512 1.604 ( -0.247 0.373 -1.444) 1.512 1.633 ( -0.484 -1.283 0.991) 1.692 1.633 ( -0.484 1.283 0.991) 1.692 1.669 ( 0.742 -1.071 0.518) 1.402 1.669 ( 0.742 1.071 0.518) 1.402 1.716 ( -0.590 -0.957 -0.256) 1.153 1.716 ( -0.590 0.957 -0.256) 1.153 1.784 ( 0.088 -0.295 0.198) 0.367 1.784 ( 0.088 0.295 0.198) 0.367 1.807 ( 0.022 -1.120 -0.170) 1.133 1.807 ( 0.022 1.120 -0.170) 1.133 1.861 ( -0.152 -0.916 -0.187) 0.947 1.861 ( -0.152 0.916 -0.187) 0.947 1.874 ( -0.436 -0.390 -0.455) 0.741 1.874 ( -0.436 0.390 -0.455) 0.741 1.918 ( -1.269 -0.157 0.212) 1.296 1.918 ( -1.269 0.157 0.212) 1.296 1.965 ( 0.507 -0.989 -0.257) 1.141 1.965 ( 0.507 0.989 -0.257) 1.141 1.980 ( 1.039 -0.286 0.656) 1.261 1.980 ( 1.039 0.286 0.656) 1.261 2.008 ( 0.876 -0.688 0.126) 1.121 2.008 ( 0.876 0.688 0.126) 1.121 2.068 ( 1.336 -0.529 1.149) 1.840 2.068 ( 1.336 0.529 1.149) 1.840 2.180 ( -1.396 -1.609 -0.985) 2.347 2.180 ( -1.396 1.609 -0.985) 2.347 2.293 ( 0.239 -0.940 0.242) 0.999 2.293 ( 0.239 0.940 0.242) 0.999 2.576 ( -0.685 -0.433 0.202) 0.835 2.576 ( -0.685 0.433 0.202) 0.835 2.730 ( -0.243 -0.057 0.096) 0.268 2.730 ( -0.243 0.057 0.096) 0.268 2.841 ( 0.212 -0.279 -0.154) 0.383 2.841 ( 0.212 0.279 -0.154) 0.383 2.937 ( -1.375 -0.443 0.241) 1.464 2.937 ( -1.375 0.443 0.241) 1.464 2.980 ( -0.130 -0.236 -0.988) 1.024 2.980 ( -0.130 0.236 -0.988) 1.024 3.225 ( 0.280 -0.084 0.082) 0.304 3.225 ( 0.280 0.084 0.082) 0.304 3.304 ( 1.271 -0.517 0.383) 1.425 3.304 ( 1.271 0.517 0.383) 1.425 3.444 ( 0.167 -1.127 -0.286) 1.175 3.444 ( 0.167 1.127 -0.286) 1.175 3.471 ( -0.330 -1.107 -0.871) 1.446 3.471 ( -0.330 1.107 -0.871) 1.446 3.618 ( 1.021 -0.983 -0.684) 1.574 3.618 ( 1.021 0.983 -0.684) 1.574 3.695 ( -2.994 -0.406 1.276) 3.280 3.695 ( -2.994 0.406 1.276) 3.280 3.820 ( -0.043 -1.389 0.430) 1.455 3.820 ( -0.043 1.389 0.430) 1.455 3.880 ( 1.888 -1.510 -0.010) 2.418 3.880 ( 1.888 1.510 -0.010) 2.418 ======================= Grid point 87 (40/40) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 0.000 -0.000 -0.000) 0.000 0.372 ( 0.000 0.000 -0.000) 0.000 0.445 ( -0.000 0.000 -0.000) 0.000 0.445 ( 0.000 0.000 0.000) 0.000 0.451 ( -0.000 -0.000 -0.000) 0.000 0.451 ( 0.000 0.000 0.000) 0.000 0.503 ( 0.000 -0.000 -0.000) 0.000 0.503 ( 0.000 0.000 -0.000) 0.000 0.512 ( -0.000 -0.000 -0.000) 0.000 0.512 ( -0.000 0.000 -0.000) 0.000 0.617 ( 0.000 0.000 -0.000) 0.000 0.617 ( 0.000 0.000 -0.000) 0.000 0.635 ( 0.000 0.000 -0.000) 0.000 0.635 ( -0.000 0.000 0.000) 0.000 0.680 ( 0.000 0.000 -0.000) 0.000 0.680 ( 0.000 0.000 0.000) 0.000 0.690 ( -0.000 0.000 -0.000) 0.000 0.690 ( 0.000 0.000 0.000) 0.000 0.775 ( 0.000 0.000 -0.000) 0.000 0.775 ( 0.000 0.000 -0.000) 0.000 0.818 ( 0.000 0.000 -0.000) 0.000 0.818 ( 0.000 0.000 0.000) 0.000 0.841 ( 0.000 0.000 -0.000) 0.000 0.841 ( 0.000 0.000 0.000) 0.000 0.888 ( 0.000 -0.000 0.000) 0.000 0.888 ( 0.000 0.000 0.000) 0.000 0.902 ( 0.000 -0.000 -0.000) 0.000 0.902 ( 0.000 0.000 -0.000) 0.000 0.946 ( 0.000 0.000 -0.000) 0.000 0.946 ( 0.000 -0.000 0.000) 0.000 0.971 ( 0.000 0.000 -0.000) 0.000 0.971 ( 0.000 0.000 -0.000) 0.000 1.089 ( 0.000 0.000 -0.000) 0.000 1.089 ( 0.000 0.000 0.000) 0.000 1.103 ( 0.000 0.000 -0.000) 0.000 1.103 ( 0.000 0.000 -0.000) 0.000 1.117 ( -0.000 -0.000 -0.000) 0.000 1.117 ( 0.000 0.000 -0.000) 0.000 1.159 ( 0.000 0.000 -0.000) 0.000 1.159 ( 0.000 0.000 -0.000) 0.000 1.199 ( -1.304 -0.329 -1.043) 1.701 1.199 ( -1.304 0.329 -1.043) 1.701 1.199 ( 1.303 -0.329 1.043) 1.701 1.199 ( 1.303 0.329 1.043) 1.701 1.277 ( 0.000 0.000 -0.000) 0.000 1.277 ( 0.000 0.000 -0.000) 0.000 1.291 ( -0.000 -0.000 0.000) 0.000 1.291 ( 0.000 0.000 -0.000) 0.000 1.345 ( 0.000 0.000 -0.000) 0.000 1.345 ( 0.000 0.000 -0.000) 0.000 1.367 ( -0.000 0.000 0.000) 0.000 1.367 ( 0.000 0.000 0.000) 0.000 1.421 ( 0.000 0.000 -0.000) 0.000 1.421 ( 0.000 0.000 -0.000) 0.000 1.433 ( 0.000 0.000 -0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.461 ( 0.000 0.000 -0.000) 0.000 1.461 ( 0.000 0.000 -0.000) 0.000 1.496 ( -0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 -0.000) 0.000 1.527 ( -0.000 0.000 -0.000) 0.000 1.527 ( 0.000 -0.000 0.000) 0.000 1.532 ( 0.000 0.000 -0.000) 0.000 1.532 ( 0.000 0.000 0.000) 0.000 1.602 ( 0.000 0.000 -0.000) 0.000 1.602 ( -0.000 0.000 -0.000) 0.000 1.625 ( 0.000 0.000 -0.000) 0.000 1.625 ( 0.000 0.000 -0.000) 0.000 1.688 ( 0.000 0.000 -0.000) 0.000 1.688 ( 0.000 0.000 -0.000) 0.000 1.698 ( -0.000 0.000 -0.000) 0.000 1.698 ( 0.000 0.000 -0.000) 0.000 1.790 ( -0.000 0.000 -0.000) 0.000 1.790 ( 0.000 0.000 -0.000) 0.000 1.800 ( 0.000 0.000 -0.000) 0.000 1.800 ( 0.000 0.000 -0.000) 0.000 1.861 ( 0.000 0.000 -0.000) 0.000 1.861 ( -0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 -0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.902 ( 0.000 0.000 -0.000) 0.000 1.902 ( 0.000 0.000 -0.000) 0.000 1.967 ( 0.000 0.000 -0.000) 0.000 1.967 ( 0.000 0.000 0.000) 0.000 2.005 ( -0.000 -0.000 -0.000) 0.000 2.005 ( -0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 -0.000) 0.000 2.009 ( 0.000 -0.000 0.000) 0.000 2.094 ( 0.000 0.000 -0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.155 ( -0.000 0.000 -0.000) 0.000 2.155 ( 0.000 0.000 -0.000) 0.000 2.296 ( 0.000 0.000 -0.000) 0.000 2.296 ( 0.000 0.000 -0.000) 0.000 2.568 ( 0.000 0.000 -0.000) 0.000 2.568 ( 0.000 0.000 -0.000) 0.000 2.727 ( 0.000 0.000 -0.000) 0.000 2.727 ( 0.000 0.000 -0.000) 0.000 2.842 ( 0.000 0.000 -0.000) 0.000 2.842 ( 0.000 0.000 -0.000) 0.000 2.924 ( 0.000 0.000 -0.000) 0.000 2.924 ( 0.000 0.000 -0.000) 0.000 2.975 ( 0.000 0.000 -0.000) 0.000 2.975 ( 0.000 0.000 -0.000) 0.000 3.228 ( 0.000 0.000 -0.000) 0.000 3.228 ( 0.000 0.000 -0.000) 0.000 3.320 ( 0.000 0.000 -0.000) 0.000 3.320 ( 0.000 0.000 -0.000) 0.000 3.449 ( 0.000 0.000 -0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 -0.000 -0.000) 0.000 3.460 ( 0.000 0.000 -0.000) 0.000 3.638 ( 0.000 0.000 -0.000) 0.000 3.638 ( 0.000 0.000 -0.000) 0.000 3.655 ( -0.000 0.000 0.000) 0.000 3.655 ( -0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 -0.000) 0.000 3.823 ( 0.000 0.000 -0.000) 0.000 3.898 ( 0.000 0.000 -0.000) 0.000 3.898 ( 0.000 0.000 -0.000) 0.000 =================== 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 3/11520 10.0 0.667 0.884 1.030 0.000 -0.087 0.000 3/11520 20.0 0.247 0.326 0.376 0.000 -0.026 0.000 3/11520 30.0 0.158 0.209 0.236 0.000 -0.015 0.000 3/11520 40.0 0.120 0.161 0.176 0.000 -0.012 0.000 3/11520 50.0 0.099 0.133 0.142 0.000 -0.010 0.000 3/11520 60.0 0.084 0.115 0.120 0.000 -0.009 0.000 3/11520 70.0 0.074 0.101 0.104 0.000 -0.008 0.000 3/11520 80.0 0.066 0.090 0.092 0.000 -0.007 0.000 3/11520 90.0 0.059 0.081 0.082 0.000 -0.006 0.000 3/11520 100.0 0.054 0.074 0.074 0.000 -0.006 0.000 3/11520 110.0 0.049 0.068 0.068 0.000 -0.005 0.000 3/11520 120.0 0.045 0.062 0.062 0.000 -0.005 0.000 3/11520 130.0 0.042 0.058 0.058 0.000 -0.005 0.000 3/11520 140.0 0.039 0.054 0.054 0.000 -0.004 0.000 3/11520 150.0 0.037 0.051 0.050 0.000 -0.004 0.000 3/11520 160.0 0.034 0.048 0.047 0.000 -0.004 0.000 3/11520 170.0 0.032 0.045 0.045 0.000 -0.004 0.000 3/11520 180.0 0.031 0.042 0.042 0.000 -0.004 0.000 3/11520 190.0 0.029 0.040 0.040 0.000 -0.003 0.000 3/11520 200.0 0.028 0.038 0.038 0.000 -0.003 0.000 3/11520 210.0 0.026 0.037 0.036 0.000 -0.003 0.000 3/11520 220.0 0.025 0.035 0.035 0.000 -0.003 0.000 3/11520 230.0 0.024 0.033 0.033 0.000 -0.003 0.000 3/11520 240.0 0.023 0.032 0.032 0.000 -0.003 0.000 3/11520 250.0 0.022 0.031 0.030 0.000 -0.003 0.000 3/11520 260.0 0.021 0.030 0.029 0.000 -0.002 0.000 3/11520 270.0 0.021 0.029 0.028 0.000 -0.002 0.000 3/11520 280.0 0.020 0.028 0.027 0.000 -0.002 0.000 3/11520 290.0 0.019 0.027 0.026 0.000 -0.002 0.000 3/11520 300.0 0.019 0.026 0.025 0.000 -0.002 0.000 3/11520 310.0 0.018 0.025 0.025 0.000 -0.002 0.000 3/11520 320.0 0.017 0.024 0.024 0.000 -0.002 0.000 3/11520 330.0 0.017 0.023 0.023 0.000 -0.002 0.000 3/11520 340.0 0.016 0.023 0.022 0.000 -0.002 0.000 3/11520 350.0 0.016 0.022 0.022 0.000 -0.002 0.000 3/11520 360.0 0.016 0.022 0.021 0.000 -0.002 0.000 3/11520 370.0 0.015 0.021 0.021 0.000 -0.002 0.000 3/11520 380.0 0.015 0.020 0.020 0.000 -0.002 0.000 3/11520 390.0 0.014 0.020 0.020 0.000 -0.002 0.000 3/11520 400.0 0.014 0.019 0.019 0.000 -0.002 0.000 3/11520 410.0 0.014 0.019 0.019 0.000 -0.002 0.000 3/11520 420.0 0.013 0.018 0.018 0.000 -0.002 0.000 3/11520 430.0 0.013 0.018 0.018 0.000 -0.002 0.000 3/11520 440.0 0.013 0.018 0.017 0.000 -0.001 0.000 3/11520 450.0 0.012 0.017 0.017 0.000 -0.001 0.000 3/11520 460.0 0.012 0.017 0.017 0.000 -0.001 0.000 3/11520 470.0 0.012 0.017 0.016 0.000 -0.001 0.000 3/11520 480.0 0.012 0.016 0.016 0.000 -0.001 0.000 3/11520 490.0 0.011 0.016 0.016 0.000 -0.001 0.000 3/11520 500.0 0.011 0.016 0.015 0.000 -0.001 0.000 3/11520 510.0 0.011 0.015 0.015 0.000 -0.001 0.000 3/11520 520.0 0.011 0.015 0.015 0.000 -0.001 0.000 3/11520 530.0 0.011 0.015 0.014 0.000 -0.001 0.000 3/11520 540.0 0.010 0.014 0.014 0.000 -0.001 0.000 3/11520 550.0 0.010 0.014 0.014 0.000 -0.001 0.000 3/11520 560.0 0.010 0.014 0.014 0.000 -0.001 0.000 3/11520 570.0 0.010 0.014 0.013 0.000 -0.001 0.000 3/11520 580.0 0.010 0.013 0.013 0.000 -0.001 0.000 3/11520 590.0 0.009 0.013 0.013 0.000 -0.001 0.000 3/11520 600.0 0.009 0.013 0.013 0.000 -0.001 0.000 3/11520 610.0 0.009 0.013 0.013 0.000 -0.001 0.000 3/11520 620.0 0.009 0.013 0.012 0.000 -0.001 0.000 3/11520 630.0 0.009 0.012 0.012 0.000 -0.001 0.000 3/11520 640.0 0.009 0.012 0.012 0.000 -0.001 0.000 3/11520 650.0 0.009 0.012 0.012 0.000 -0.001 0.000 3/11520 660.0 0.008 0.012 0.012 0.000 -0.001 0.000 3/11520 670.0 0.008 0.012 0.011 0.000 -0.001 0.000 3/11520 680.0 0.008 0.011 0.011 0.000 -0.001 0.000 3/11520 690.0 0.008 0.011 0.011 0.000 -0.001 0.000 3/11520 700.0 0.008 0.011 0.011 0.000 -0.001 0.000 3/11520 710.0 0.008 0.011 0.011 0.000 -0.001 0.000 3/11520 720.0 0.008 0.011 0.011 0.000 -0.001 0.000 3/11520 730.0 0.008 0.011 0.010 0.000 -0.001 0.000 3/11520 740.0 0.008 0.011 0.010 0.000 -0.001 0.000 3/11520 750.0 0.007 0.010 0.010 0.000 -0.001 0.000 3/11520 760.0 0.007 0.010 0.010 0.000 -0.001 0.000 3/11520 770.0 0.007 0.010 0.010 0.000 -0.001 0.000 3/11520 780.0 0.007 0.010 0.010 0.000 -0.001 0.000 3/11520 790.0 0.007 0.010 0.010 0.000 -0.001 0.000 3/11520 800.0 0.007 0.010 0.010 0.000 -0.001 0.000 3/11520 810.0 0.007 0.010 0.009 0.000 -0.001 0.000 3/11520 820.0 0.007 0.009 0.009 0.000 -0.001 0.000 3/11520 830.0 0.007 0.009 0.009 0.000 -0.001 0.000 3/11520 840.0 0.007 0.009 0.009 0.000 -0.001 0.000 3/11520 850.0 0.007 0.009 0.009 0.000 -0.001 0.000 3/11520 860.0 0.007 0.009 0.009 0.000 -0.001 0.000 3/11520 870.0 0.006 0.009 0.009 0.000 -0.001 0.000 3/11520 880.0 0.006 0.009 0.009 0.000 -0.001 0.000 3/11520 890.0 0.006 0.009 0.009 0.000 -0.001 0.000 3/11520 900.0 0.006 0.009 0.008 0.000 -0.001 0.000 3/11520 910.0 0.006 0.009 0.008 0.000 -0.001 0.000 3/11520 920.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 930.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 940.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 950.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 960.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 970.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 980.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 990.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 1000.0 0.006 0.008 0.008 0.000 -0.001 0.000 3/11520 Thermal conductivity related properties were written into "kappa-m464.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:25:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|