----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:51:48]------------------------- 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: Pna2_1 (33) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.464260010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.742533399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.849119710000000 Atomic positions (fractional): *1 O 0.77729758290857 0.54513016425533 0.87402109360506 15.999 2 O 0.22270241709143 0.45486983574467 0.37402109360506 15.999 3 O 0.27729758290857 0.95486983574467 0.87402109360506 15.999 4 O 0.72270241709143 0.04513016425533 0.37402109360506 15.999 *5 O 0.77719889666590 0.46918415989864 0.12720691370964 15.999 6 O 0.22280110333410 0.53081584010136 0.62720691370964 15.999 7 O 0.27719889666590 0.03081584010136 0.12720691370964 15.999 8 O 0.72280110333410 0.96918415989864 0.62720691370964 15.999 *9 O 0.73612040423711 0.95680166347788 0.87843052282240 15.999 10 O 0.26387959576289 0.04319833652212 0.37843052282240 15.999 11 O 0.23612040423711 0.54319833652212 0.87843052282240 15.999 12 O 0.76387959576289 0.45680166347788 0.37843052282240 15.999 *13 O 0.73259686592783 0.04935140030210 0.11946661117711 15.999 14 O 0.26740313407217 0.95064859969790 0.61946661117711 15.999 15 O 0.23259686592783 0.45064859969790 0.11946661117711 15.999 *16 O 0.39687423018086 0.66356141013328 0.72920162343553 15.999 17 O 0.76740313407217 0.54935140030210 0.61946661117711 15.999 *18 O 0.10322061347234 0.78790042418778 0.46711458651001 15.999 19 O 0.39677938652766 0.28790042418778 0.96711458651001 15.999 20 O 0.60322061347234 0.71209957581222 0.46711458651001 15.999 *21 O 0.89191030165540 0.80037364472182 0.03843106710122 15.999 22 O 0.10808969834460 0.19962635527818 0.53843106710122 15.999 23 O 0.39191030165540 0.69962635527818 0.03843106710122 15.999 24 O 0.60808969834460 0.30037364472182 0.53843106710122 15.999 *25 O 0.98683949457402 0.49361339994369 0.12902751698588 15.999 26 O 0.01316050542598 0.50638660005631 0.62902751698588 15.999 27 O 0.48683949457402 0.00638660005631 0.12902751698588 15.999 28 O 0.51316050542598 0.99361339994369 0.62902751698588 15.999 *29 O 0.00770119815703 0.46222916133203 0.38374282575021 15.999 30 O 0.99229880184297 0.53777083866797 0.88374282575021 15.999 31 O 0.50770119815703 0.03777083866797 0.38374282575021 15.999 32 O 0.49229880184297 0.96222916133203 0.88374282575021 15.999 *33 O 0.89158343675976 0.17559222588495 0.26462102316730 15.999 34 O 0.10841656324024 0.82440777411505 0.76462102316729 15.999 35 O 0.39158343675976 0.32440777411505 0.26462102316730 15.999 36 O 0.60841656324024 0.67559222588495 0.76462102316729 15.999 37 O 0.10312576981914 0.16356141013328 0.22920162343553 15.999 38 O 0.89687423018086 0.83643858986672 0.72920162343553 15.999 39 O 0.60312576981914 0.33643858986672 0.22920162343553 15.999 40 O 0.89677938652766 0.21209957581222 0.96711458651001 15.999 *41 Ge 0.81969240312970 0.00851306746743 0.99969411220374 72.640 42 Ge 0.18030759687030 0.99148693253257 0.49969411220374 72.640 43 Ge 0.31969240312970 0.49148693253257 0.99969411220374 72.640 44 Ge 0.68030759687030 0.50851306746743 0.49969411220374 72.640 *45 Ge 0.50022515523736 0.82010342270431 0.74802467741845 72.640 46 Ge 0.49977484476264 0.17989657729569 0.24802467741844 72.640 47 Ge 0.00022515523736 0.67989657729569 0.74802467741845 72.640 48 Ge 0.99977484476264 0.32010342270431 0.24802467741844 72.640 *49 Rb 0.88965050396540 0.19580792756754 0.56196311223062 85.468 50 Rb 0.11034949603460 0.80419207243246 0.06196311223062 85.468 51 Rb 0.38965050396540 0.30419207243246 0.56196311223062 85.468 52 Rb 0.61034949603460 0.69580792756754 0.06196311223062 85.468 *53 Rb 0.61483691187381 0.27578087627921 0.81620768391256 85.468 54 Rb 0.38516308812619 0.72421912372079 0.31620768391256 85.468 55 Rb 0.11483691187381 0.22421912372079 0.81620768391256 85.468 56 Rb 0.88516308812619 0.77578087627921 0.31620768391256 85.468 *57 Sb 0.75324555452094 0.75532398278211 0.74752950138249 121.760 58 Sb 0.24675444547906 0.24467601721789 0.24752950138249 121.760 59 Sb 0.25324555452094 0.74467601721789 0.74752950138249 121.760 60 Sb 0.74675444547906 0.25532398278211 0.24752950138249 121.760 *61 Sb 0.61894448314746 0.00494199093006 0.50041706858781 121.760 62 Sb 0.38105551685254 0.99505800906994 0.00041706858781 121.760 63 Sb 0.11894448314747 0.49505800906994 0.50041706858781 121.760 64 Sb 0.88105551685254 0.50494199093006 0.00041706858781 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.464260010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.742533399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.849119710000000 Atomic positions (fractional): *1 O 0.77729758290857 0.54513016425533 0.87402109360506 15.999 > 1 2 O 0.22270241709143 0.45486983574467 0.37402109360506 15.999 > 2 3 O 0.27729758290857 0.95486983574467 0.87402109360506 15.999 > 3 4 O 0.72270241709143 0.04513016425533 0.37402109360506 15.999 > 4 *5 O 0.77719889666590 0.46918415989864 0.12720691370964 15.999 > 5 6 O 0.22280110333410 0.53081584010136 0.62720691370964 15.999 > 6 7 O 0.27719889666590 0.03081584010136 0.12720691370964 15.999 > 7 8 O 0.72280110333410 0.96918415989864 0.62720691370964 15.999 > 8 *9 O 0.73612040423711 0.95680166347788 0.87843052282240 15.999 > 9 10 O 0.26387959576289 0.04319833652212 0.37843052282240 15.999 > 10 11 O 0.23612040423711 0.54319833652212 0.87843052282240 15.999 > 11 12 O 0.76387959576289 0.45680166347788 0.37843052282240 15.999 > 12 *13 O 0.73259686592783 0.04935140030210 0.11946661117711 15.999 > 13 14 O 0.26740313407217 0.95064859969790 0.61946661117711 15.999 > 14 15 O 0.23259686592783 0.45064859969790 0.11946661117711 15.999 > 15 *16 O 0.39687423018086 0.66356141013328 0.72920162343553 15.999 > 16 17 O 0.76740313407217 0.54935140030210 0.61946661117711 15.999 > 17 *18 O 0.10322061347234 0.78790042418778 0.46711458651001 15.999 > 18 19 O 0.39677938652766 0.28790042418778 0.96711458651001 15.999 > 19 20 O 0.60322061347234 0.71209957581222 0.46711458651001 15.999 > 20 *21 O 0.89191030165540 0.80037364472182 0.03843106710122 15.999 > 21 22 O 0.10808969834460 0.19962635527818 0.53843106710122 15.999 > 22 23 O 0.39191030165540 0.69962635527818 0.03843106710122 15.999 > 23 24 O 0.60808969834460 0.30037364472182 0.53843106710122 15.999 > 24 *25 O 0.98683949457402 0.49361339994369 0.12902751698588 15.999 > 25 26 O 0.01316050542598 0.50638660005631 0.62902751698588 15.999 > 26 27 O 0.48683949457402 0.00638660005631 0.12902751698588 15.999 > 27 28 O 0.51316050542598 0.99361339994369 0.62902751698588 15.999 > 28 *29 O 0.00770119815703 0.46222916133203 0.38374282575021 15.999 > 29 30 O 0.99229880184297 0.53777083866797 0.88374282575021 15.999 > 30 31 O 0.50770119815703 0.03777083866797 0.38374282575021 15.999 > 31 32 O 0.49229880184297 0.96222916133203 0.88374282575021 15.999 > 32 *33 O 0.89158343675976 0.17559222588495 0.26462102316730 15.999 > 33 34 O 0.10841656324024 0.82440777411505 0.76462102316729 15.999 > 34 35 O 0.39158343675976 0.32440777411505 0.26462102316730 15.999 > 35 36 O 0.60841656324024 0.67559222588495 0.76462102316729 15.999 > 36 37 O 0.10312576981914 0.16356141013328 0.22920162343553 15.999 > 37 38 O 0.89687423018086 0.83643858986672 0.72920162343553 15.999 > 38 39 O 0.60312576981914 0.33643858986672 0.22920162343553 15.999 > 39 40 O 0.89677938652766 0.21209957581222 0.96711458651001 15.999 > 40 *41 Ge 0.81969240312970 0.00851306746743 0.99969411220374 72.640 > 41 42 Ge 0.18030759687030 0.99148693253257 0.49969411220374 72.640 > 42 43 Ge 0.31969240312970 0.49148693253257 0.99969411220374 72.640 > 43 44 Ge 0.68030759687030 0.50851306746743 0.49969411220374 72.640 > 44 *45 Ge 0.50022515523736 0.82010342270431 0.74802467741845 72.640 > 45 46 Ge 0.49977484476264 0.17989657729569 0.24802467741844 72.640 > 46 47 Ge 0.00022515523736 0.67989657729569 0.74802467741845 72.640 > 47 48 Ge 0.99977484476264 0.32010342270431 0.24802467741844 72.640 > 48 *49 Rb 0.88965050396540 0.19580792756754 0.56196311223062 85.468 > 49 50 Rb 0.11034949603460 0.80419207243246 0.06196311223062 85.468 > 50 51 Rb 0.38965050396540 0.30419207243246 0.56196311223062 85.468 > 51 52 Rb 0.61034949603460 0.69580792756754 0.06196311223062 85.468 > 52 *53 Rb 0.61483691187381 0.27578087627921 0.81620768391256 85.468 > 53 54 Rb 0.38516308812619 0.72421912372079 0.31620768391256 85.468 > 54 55 Rb 0.11483691187381 0.22421912372079 0.81620768391256 85.468 > 55 56 Rb 0.88516308812619 0.77578087627921 0.31620768391256 85.468 > 56 *57 Sb 0.75324555452094 0.75532398278211 0.74752950138249 121.760 > 57 58 Sb 0.24675444547906 0.24467601721789 0.24752950138249 121.760 > 58 59 Sb 0.25324555452094 0.74467601721789 0.74752950138249 121.760 > 59 60 Sb 0.74675444547906 0.25532398278211 0.24752950138249 121.760 > 60 *61 Sb 0.61894448314746 0.00494199093006 0.50041706858781 121.760 > 61 62 Sb 0.38105551685254 0.99505800906994 0.00041706858781 121.760 > 62 63 Sb 0.11894448314747 0.49505800906994 0.50041706858781 121.760 > 63 64 Sb 0.88105551685254 0.50494199093006 0.00041706858781 121.760 > 64 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.464260010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.485066799999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.849119710000000 Atomic positions (fractional): *1 O 0.77729758290857 0.27256508212766 0.87402109360506 15.999 > 1 2 O 0.77729758290857 0.77256508212766 0.87402109360506 15.999 > 1 3 O 0.22270241709143 0.22743491787234 0.37402109360506 15.999 > 2 4 O 0.22270241709143 0.72743491787234 0.37402109360506 15.999 > 2 5 O 0.27729758290857 0.47743491787234 0.87402109360506 15.999 > 3 6 O 0.27729758290857 0.97743491787234 0.87402109360506 15.999 > 3 7 O 0.72270241709143 0.02256508212766 0.37402109360506 15.999 > 4 8 O 0.72270241709143 0.52256508212766 0.37402109360506 15.999 > 4 *9 O 0.77719889666590 0.23459207994932 0.12720691370964 15.999 > 5 10 O 0.77719889666590 0.73459207994932 0.12720691370964 15.999 > 5 11 O 0.22280110333410 0.26540792005068 0.62720691370964 15.999 > 6 12 O 0.22280110333410 0.76540792005068 0.62720691370964 15.999 > 6 13 O 0.27719889666590 0.01540792005068 0.12720691370964 15.999 > 7 14 O 0.27719889666590 0.51540792005068 0.12720691370964 15.999 > 7 15 O 0.72280110333410 0.48459207994932 0.62720691370964 15.999 > 8 16 O 0.72280110333410 0.98459207994932 0.62720691370964 15.999 > 8 *17 O 0.73612040423711 0.47840083173894 0.87843052282240 15.999 > 9 18 O 0.73612040423711 0.97840083173894 0.87843052282240 15.999 > 9 19 O 0.26387959576289 0.02159916826106 0.37843052282240 15.999 > 10 20 O 0.26387959576289 0.52159916826106 0.37843052282240 15.999 > 10 21 O 0.23612040423711 0.27159916826106 0.87843052282240 15.999 > 11 22 O 0.23612040423711 0.77159916826106 0.87843052282240 15.999 > 11 23 O 0.76387959576289 0.22840083173894 0.37843052282240 15.999 > 12 24 O 0.76387959576289 0.72840083173894 0.37843052282240 15.999 > 12 *25 O 0.73259686592783 0.02467570015105 0.11946661117711 15.999 > 13 26 O 0.73259686592783 0.52467570015105 0.11946661117711 15.999 > 13 27 O 0.26740313407217 0.47532429984895 0.61946661117711 15.999 > 14 28 O 0.26740313407217 0.97532429984895 0.61946661117711 15.999 > 14 29 O 0.23259686592783 0.22532429984895 0.11946661117711 15.999 > 15 30 O 0.23259686592783 0.72532429984895 0.11946661117711 15.999 > 15 *31 O 0.39687423018086 0.33178070506664 0.72920162343553 15.999 > 16 32 O 0.39687423018086 0.83178070506664 0.72920162343553 15.999 > 16 33 O 0.76740313407217 0.27467570015105 0.61946661117711 15.999 > 17 34 O 0.76740313407217 0.77467570015105 0.61946661117711 15.999 > 17 *35 O 0.10322061347234 0.39395021209389 0.46711458651001 15.999 > 18 36 O 0.10322061347234 0.89395021209389 0.46711458651001 15.999 > 18 37 O 0.39677938652766 0.14395021209389 0.96711458651001 15.999 > 19 38 O 0.39677938652766 0.64395021209389 0.96711458651001 15.999 > 19 39 O 0.60322061347234 0.35604978790611 0.46711458651001 15.999 > 20 40 O 0.60322061347234 0.85604978790611 0.46711458651001 15.999 > 20 *41 O 0.89191030165540 0.40018682236091 0.03843106710122 15.999 > 21 42 O 0.89191030165540 0.90018682236091 0.03843106710122 15.999 > 21 43 O 0.10808969834460 0.09981317763909 0.53843106710122 15.999 > 22 44 O 0.10808969834460 0.59981317763909 0.53843106710122 15.999 > 22 45 O 0.39191030165540 0.34981317763909 0.03843106710122 15.999 > 23 46 O 0.39191030165540 0.84981317763909 0.03843106710122 15.999 > 23 47 O 0.60808969834460 0.15018682236091 0.53843106710122 15.999 > 24 48 O 0.60808969834460 0.65018682236091 0.53843106710122 15.999 > 24 *49 O 0.98683949457402 0.24680669997185 0.12902751698588 15.999 > 25 50 O 0.98683949457402 0.74680669997185 0.12902751698588 15.999 > 25 51 O 0.01316050542598 0.25319330002815 0.62902751698588 15.999 > 26 52 O 0.01316050542598 0.75319330002815 0.62902751698588 15.999 > 26 53 O 0.48683949457402 0.00319330002815 0.12902751698588 15.999 > 27 54 O 0.48683949457402 0.50319330002815 0.12902751698588 15.999 > 27 55 O 0.51316050542598 0.49680669997185 0.62902751698588 15.999 > 28 56 O 0.51316050542598 0.99680669997185 0.62902751698588 15.999 > 28 *57 O 0.00770119815703 0.23111458066601 0.38374282575021 15.999 > 29 58 O 0.00770119815703 0.73111458066601 0.38374282575021 15.999 > 29 59 O 0.99229880184297 0.26888541933399 0.88374282575021 15.999 > 30 60 O 0.99229880184297 0.76888541933399 0.88374282575021 15.999 > 30 61 O 0.50770119815703 0.01888541933399 0.38374282575021 15.999 > 31 62 O 0.50770119815703 0.51888541933399 0.38374282575021 15.999 > 31 63 O 0.49229880184297 0.48111458066601 0.88374282575021 15.999 > 32 64 O 0.49229880184297 0.98111458066601 0.88374282575021 15.999 > 32 *65 O 0.89158343675976 0.08779611294248 0.26462102316730 15.999 > 33 66 O 0.89158343675976 0.58779611294248 0.26462102316730 15.999 > 33 67 O 0.10841656324024 0.41220388705752 0.76462102316729 15.999 > 34 68 O 0.10841656324024 0.91220388705752 0.76462102316729 15.999 > 34 69 O 0.39158343675976 0.16220388705752 0.26462102316730 15.999 > 35 70 O 0.39158343675976 0.66220388705752 0.26462102316730 15.999 > 35 71 O 0.60841656324024 0.33779611294248 0.76462102316729 15.999 > 36 72 O 0.60841656324024 0.83779611294248 0.76462102316729 15.999 > 36 73 O 0.10312576981914 0.08178070506664 0.22920162343553 15.999 > 37 74 O 0.10312576981914 0.58178070506664 0.22920162343553 15.999 > 37 75 O 0.89687423018086 0.41821929493336 0.72920162343553 15.999 > 38 76 O 0.89687423018086 0.91821929493336 0.72920162343553 15.999 > 38 77 O 0.60312576981914 0.16821929493336 0.22920162343553 15.999 > 39 78 O 0.60312576981914 0.66821929493336 0.22920162343553 15.999 > 39 79 O 0.89677938652766 0.10604978790611 0.96711458651001 15.999 > 40 80 O 0.89677938652766 0.60604978790611 0.96711458651001 15.999 > 40 *81 Ge 0.81969240312970 0.00425653373372 0.99969411220374 72.640 > 41 82 Ge 0.81969240312970 0.50425653373372 0.99969411220374 72.640 > 41 83 Ge 0.18030759687030 0.49574346626628 0.49969411220374 72.640 > 42 84 Ge 0.18030759687030 0.99574346626628 0.49969411220374 72.640 > 42 85 Ge 0.31969240312970 0.24574346626628 0.99969411220374 72.640 > 43 86 Ge 0.31969240312970 0.74574346626628 0.99969411220374 72.640 > 43 87 Ge 0.68030759687030 0.25425653373372 0.49969411220374 72.640 > 44 88 Ge 0.68030759687030 0.75425653373372 0.49969411220374 72.640 > 44 *89 Ge 0.50022515523736 0.41005171135215 0.74802467741845 72.640 > 45 90 Ge 0.50022515523736 0.91005171135215 0.74802467741845 72.640 > 45 91 Ge 0.49977484476264 0.08994828864785 0.24802467741844 72.640 > 46 92 Ge 0.49977484476264 0.58994828864785 0.24802467741844 72.640 > 46 93 Ge 0.00022515523736 0.33994828864785 0.74802467741845 72.640 > 47 94 Ge 0.00022515523736 0.83994828864785 0.74802467741845 72.640 > 47 95 Ge 0.99977484476264 0.16005171135215 0.24802467741844 72.640 > 48 96 Ge 0.99977484476264 0.66005171135215 0.24802467741844 72.640 > 48 *97 Rb 0.88965050396540 0.09790396378377 0.56196311223062 85.468 > 49 98 Rb 0.88965050396540 0.59790396378377 0.56196311223062 85.468 > 49 99 Rb 0.11034949603460 0.40209603621623 0.06196311223062 85.468 > 50 100 Rb 0.11034949603460 0.90209603621623 0.06196311223062 85.468 > 50 101 Rb 0.38965050396540 0.15209603621623 0.56196311223062 85.468 > 51 102 Rb 0.38965050396540 0.65209603621623 0.56196311223062 85.468 > 51 103 Rb 0.61034949603460 0.34790396378377 0.06196311223062 85.468 > 52 104 Rb 0.61034949603460 0.84790396378377 0.06196311223062 85.468 > 52 *105 Rb 0.61483691187381 0.13789043813960 0.81620768391256 85.468 > 53 106 Rb 0.61483691187381 0.63789043813960 0.81620768391256 85.468 > 53 107 Rb 0.38516308812619 0.36210956186040 0.31620768391256 85.468 > 54 108 Rb 0.38516308812619 0.86210956186040 0.31620768391256 85.468 > 54 109 Rb 0.11483691187381 0.11210956186040 0.81620768391256 85.468 > 55 110 Rb 0.11483691187381 0.61210956186040 0.81620768391256 85.468 > 55 111 Rb 0.88516308812619 0.38789043813960 0.31620768391256 85.468 > 56 112 Rb 0.88516308812619 0.88789043813960 0.31620768391256 85.468 > 56 *113 Sb 0.75324555452094 0.37766199139105 0.74752950138249 121.760 > 57 114 Sb 0.75324555452094 0.87766199139105 0.74752950138249 121.760 > 57 115 Sb 0.24675444547906 0.12233800860895 0.24752950138249 121.760 > 58 116 Sb 0.24675444547906 0.62233800860895 0.24752950138249 121.760 > 58 117 Sb 0.25324555452094 0.37233800860895 0.74752950138249 121.760 > 59 118 Sb 0.25324555452094 0.87233800860895 0.74752950138249 121.760 > 59 119 Sb 0.74675444547906 0.12766199139105 0.24752950138249 121.760 > 60 120 Sb 0.74675444547906 0.62766199139105 0.24752950138249 121.760 > 60 *121 Sb 0.61894448314746 0.00247099546503 0.50041706858781 121.760 > 61 122 Sb 0.61894448314746 0.50247099546503 0.50041706858781 121.760 > 61 123 Sb 0.38105551685254 0.49752900453497 0.00041706858781 121.760 > 62 124 Sb 0.38105551685254 0.99752900453497 0.00041706858781 121.760 > 62 125 Sb 0.11894448314747 0.24752900453497 0.50041706858781 121.760 > 63 126 Sb 0.11894448314747 0.74752900453497 0.50041706858781 121.760 > 63 127 Sb 0.88105551685254 0.25247099546503 0.00041706858781 121.760 > 64 128 Sb 0.88105551685254 0.75247099546503 0.00041706858781 121.760 > 64 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3047618 0.0000000 0.0000000 0.0000000 3.3091736 0.0000000 0.0000000 0.0000000 3.4058806 -------------------------- Born effective charges -------------------------- 1 O -1.7022723 0.1867395 -0.6269183 0.2583553 -1.6997768 0.6515910 -0.6269795 0.6472649 -2.2810100 2 O -1.7022723 0.1867395 0.6269183 0.2583553 -1.6997768 -0.6515910 0.6269795 -0.6472649 -2.2810100 3 O -1.7022723 -0.1867395 -0.6269183 -0.2583553 -1.6997768 -0.6515910 -0.6269795 -0.6472649 -2.2810100 4 O -1.7022723 -0.1867395 0.6269183 -0.2583553 -1.6997768 0.6515910 0.6269795 0.6472649 -2.2810100 5 O -1.6769086 -0.1713373 0.5665006 -0.2867060 -1.7725300 0.6858313 0.5934652 0.6752466 -2.2399354 6 O -1.6769086 -0.1713373 -0.5665006 -0.2867060 -1.7725300 -0.6858313 -0.5934652 -0.6752466 -2.2399354 7 O -1.6769086 0.1713373 0.5665006 0.2867060 -1.7725300 -0.6858313 0.5934652 -0.6752466 -2.2399354 8 O -1.6769086 0.1713373 -0.5665006 0.2867060 -1.7725300 0.6858313 -0.5934652 0.6752466 -2.2399354 9 O -1.4636858 -0.0409492 -0.4546944 -0.0053704 -1.7480349 -0.6833002 -0.5724591 -0.6410396 -2.4054721 10 O -1.4636858 -0.0409492 0.4546944 -0.0053704 -1.7480349 0.6833002 0.5724591 0.6410396 -2.4054721 11 O -1.4636858 0.0409492 -0.4546944 0.0053704 -1.7480349 0.6833002 -0.5724591 0.6410396 -2.4054721 12 O -1.4636858 0.0409492 0.4546944 0.0053704 -1.7480349 -0.6833002 0.5724591 -0.6410396 -2.4054721 13 O -1.4547258 0.0410732 0.4255387 0.0450604 -1.7210545 -0.7569370 0.5324486 -0.7012759 -2.3593637 14 O -1.4547258 0.0410732 -0.4255387 0.0450604 -1.7210545 0.7569370 -0.5324486 0.7012759 -2.3593637 15 O -1.4547258 -0.0410732 0.4255387 -0.0450604 -1.7210545 0.7569370 0.5324486 0.7012759 -2.3593637 16 O -2.9132888 -0.2855737 0.0591460 -0.3907871 -1.3365631 -0.0965473 0.0583205 -0.1312904 -1.2761408 17 O -1.4547258 -0.0410732 -0.4255387 -0.0450604 -1.7210545 -0.7569370 -0.5324486 -0.7012759 -2.3593637 18 O -1.2659113 -0.4345858 -0.0854677 -0.4325380 -2.9564626 0.0362603 -0.1199764 0.0789519 -1.2496771 19 O -1.2659113 0.4345858 0.0854677 0.4325380 -2.9564626 0.0362603 0.1199764 0.0789519 -1.2496771 20 O -1.2659113 0.4345858 -0.0854677 0.4325380 -2.9564626 -0.0362603 -0.1199764 -0.0789519 -1.2496771 21 O -1.3552815 0.4515833 -0.1136031 0.4349941 -2.9388599 -0.0035453 -0.1141263 -0.1007542 -1.3639862 22 O -1.3552815 0.4515833 0.1136031 0.4349941 -2.9388599 0.0035453 0.1141263 0.1007542 -1.3639862 23 O -1.3552815 -0.4515833 -0.1136031 -0.4349941 -2.9388599 0.0035453 -0.1141263 0.1007542 -1.3639862 24 O -1.3552815 -0.4515833 0.1136031 -0.4349941 -2.9388599 -0.0035453 0.1141263 -0.1007542 -1.3639862 25 O -1.7760534 0.1692286 -0.7634218 0.0668483 -1.5473281 0.5294240 -0.5706398 0.6790524 -2.3111733 26 O -1.7760534 0.1692286 0.7634218 0.0668483 -1.5473281 -0.5294240 0.5706398 -0.6790524 -2.3111733 27 O -1.7760534 -0.1692286 -0.7634218 -0.0668483 -1.5473281 -0.5294240 -0.5706398 -0.6790524 -2.3111733 28 O -1.7760534 -0.1692286 0.7634218 -0.0668483 -1.5473281 0.5294240 0.5706398 0.6790524 -2.3111733 29 O -1.8399939 -0.1819800 -0.8632454 -0.0209790 -1.4297312 -0.4274349 -0.6290697 -0.5535672 -2.4040622 30 O -1.8399939 -0.1819800 0.8632454 -0.0209790 -1.4297312 0.4274349 0.6290697 0.5535672 -2.4040622 31 O -1.8399939 0.1819800 -0.8632454 0.0209790 -1.4297312 0.4274349 -0.6290697 0.5535672 -2.4040622 32 O -1.8399939 0.1819800 0.8632454 0.0209790 -1.4297312 -0.4274349 0.6290697 -0.5535672 -2.4040622 33 O -2.9024862 -0.2738440 -0.0604266 -0.3931928 -1.4554460 0.0700054 -0.0938046 0.0942946 -1.3498757 34 O -2.9024862 -0.2738440 0.0604266 -0.3931928 -1.4554460 -0.0700054 0.0938046 -0.0942946 -1.3498757 35 O -2.9024862 0.2738440 -0.0604266 0.3931928 -1.4554460 -0.0700054 -0.0938046 -0.0942946 -1.3498757 36 O -2.9024862 0.2738440 0.0604266 0.3931928 -1.4554460 0.0700054 0.0938046 0.0942946 -1.3498757 37 O -2.9132888 0.2855737 -0.0591460 0.3907871 -1.3365631 -0.0965473 -0.0583205 -0.1312904 -1.2761408 38 O -2.9132888 0.2855737 0.0591460 0.3907871 -1.3365631 0.0965473 0.0583205 0.1312904 -1.2761408 39 O -2.9132888 -0.2855737 -0.0591460 -0.3907871 -1.3365631 0.0965473 -0.0583205 0.1312904 -1.2761408 40 O -1.2659113 -0.4345858 0.0854677 -0.4325380 -2.9564626 -0.0362603 0.1199764 -0.0789519 -1.2496771 41 Ge 2.5415953 0.0293074 0.0758395 0.0499517 3.9600179 0.5790946 0.0499693 0.5037577 3.3377564 42 Ge 2.5415953 0.0293074 -0.0758395 0.0499517 3.9600179 -0.5790946 -0.0499693 -0.5037577 3.3377564 43 Ge 2.5415953 -0.0293074 0.0758395 -0.0499517 3.9600179 -0.5790946 0.0499693 -0.5037577 3.3377564 44 Ge 2.5415953 -0.0293074 -0.0758395 -0.0499517 3.9600179 0.5790946 -0.0499693 0.5037577 3.3377564 45 Ge 3.9614937 0.1329625 -0.8739934 0.0343475 2.5549435 -0.0101382 -0.2343577 -0.1139457 3.3344807 46 Ge 3.9614937 0.1329625 0.8739934 0.0343475 2.5549435 0.0101382 0.2343577 0.1139457 3.3344807 47 Ge 3.9614937 -0.1329625 -0.8739934 -0.0343475 2.5549435 0.0101382 -0.2343577 0.1139457 3.3344807 48 Ge 3.9614937 -0.1329625 0.8739934 -0.0343475 2.5549435 -0.0101382 0.2343577 -0.1139457 3.3344807 49 Rb 1.4365311 0.1524586 -0.0059873 0.1406884 1.3111939 -0.1131517 -0.0095935 -0.0752122 1.1366209 50 Rb 1.4365311 0.1524586 0.0059873 0.1406884 1.3111939 0.1131517 0.0095935 0.0752122 1.1366209 51 Rb 1.4365311 -0.1524586 -0.0059873 -0.1406884 1.3111939 0.1131517 -0.0095935 0.0752122 1.1366209 52 Rb 1.4365311 -0.1524586 0.0059873 -0.1406884 1.3111939 -0.1131517 0.0095935 -0.0752122 1.1366209 53 Rb 1.2073658 0.0863281 -0.0368616 0.0897828 1.5019107 -0.0603619 -0.0041154 -0.0513442 1.1592098 54 Rb 1.2073658 0.0863281 0.0368616 0.0897828 1.5019107 0.0603619 0.0041154 0.0513442 1.1592098 55 Rb 1.2073658 -0.0863281 -0.0368616 -0.0897828 1.5019107 0.0603619 -0.0041154 0.0513442 1.1592098 56 Rb 1.2073658 -0.0863281 0.0368616 -0.0897828 1.5019107 -0.0603619 0.0041154 -0.0513442 1.1592098 57 Sb 5.0257826 0.2385582 0.9108096 -0.7081767 4.0863124 0.0418573 0.2364350 -0.1446316 5.1896330 58 Sb 5.0257826 0.2385582 -0.9108096 -0.7081767 4.0863124 -0.0418573 -0.2364350 0.1446316 5.1896330 59 Sb 5.0257826 -0.2385582 0.9108096 0.7081767 4.0863124 -0.0418573 0.2364350 0.1446316 5.1896330 60 Sb 5.0257826 -0.2385582 -0.9108096 0.7081767 4.0863124 0.0418573 -0.2364350 -0.1446316 5.1896330 61 Sb 4.1778391 -0.0695069 -0.0251545 0.0337072 5.1914088 -0.8115616 0.0267987 -0.4536845 5.0829959 62 Sb 4.1778391 -0.0695069 0.0251545 0.0337072 5.1914088 0.8115616 -0.0267987 0.4536845 5.0829959 63 Sb 4.1778391 0.0695069 -0.0251545 -0.0337072 5.1914088 0.8115616 0.0267987 0.4536845 5.0829959 64 Sb 4.1778391 0.0695069 0.0251545 -0.0337072 5.1914088 -0.8115616 -0.0267987 -0.4536845 5.0829959 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 227 eigenvectors found. (2) Block: 548 / 548 (2) 274 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 271 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 284 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 530 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 78 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (9360, 9216), data: False |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 78), data: (2048, 110) @ (110, 78) |-- (548, 530), data: False |-- (548, 14), data: (548, 32) @ (32, 14) |-- (298, 284), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 25), data: (500, 57) @ (57, 25) |-- (250, 221), data: True |-- (250, 222), data: True |-- (2048, 2016), data: False |-- (2048, 82), data: (2048, 114) @ (114, 82) |-- (548, 520), data: False |-- (548, 17), data: (548, 45) @ (45, 17) |-- (298, 271), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 218), data: True |-- (250, 220), data: True |-- (2048, 2016), data: False |-- (2048, 76), data: (2048, 108) @ (108, 76) |-- (548, 520), data: False |-- (548, 19), data: (548, 47) @ (47, 19) |-- (298, 274), data: True |-- (250, 227), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1920 - Time: 3.609 Solver_block: 200 / 1920 - Time: 2.892 Solver_block: 300 / 1920 - Time: 2.788 Solver_block: 400 / 1920 - Time: 3.242 Solver_block: 500 / 1920 - Time: 3.129 Solver_block: 600 / 1920 - Time: 2.603 Solver_block: 700 / 1920 - Time: 3.287 Solver_block: 800 / 1920 - Time: 3.173 Solver_block: 900 / 1920 - Time: 3.075 Solver_block: 1000 / 1920 - Time: 3.057 Solver_block: 1100 / 1920 - Time: 3.197 Solver_block: 1200 / 1920 - Time: 3.188 Solver_block: 1300 / 1920 - Time: 3.201 Solver_block: 1400 / 1920 - Time: 3.168 Solver_block: 1500 / 1920 - Time: 3.386 Solver_block: 1600 / 1920 - Time: 3.255 Solver_block: 1700 / 1920 - Time: 3.448 Solver_block: 1800 / 1920 - Time: 4.283 Solver_block: 1900 / 1920 - Time: 3.844 Solver_block: 1920 / 1920 - Time: 0.727 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 66.178 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 37056/37056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 9360 Number of blocks in projector: 9360 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: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 227 eigenvectors found. (2) Block: 548 / 548 (2) 274 eigenvectors found. (2) Complementary block size: 47 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 76 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 271 eigenvectors found. (2) Complementary block size: 45 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 520 eigenvectors found. (1) Complementary block size: 114 (1) Compute compressed projector. (1) Use standard solver. (1) 82 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2048 Use submatrix version of eigh solver. (1) Block: 500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 221 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 2048 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2048 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2048 / 2048 (2) Block: 250 / 548 (2) 232 eigenvectors found. (2) Block: 548 / 548 (2) 284 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 530 eigenvectors found. (1) Complementary block size: 110 (1) Compute compressed projector. (1) Use standard solver. (1) 78 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1072 Use submatrix version of eigh solver. (1) Block: 500 / 1072 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1072 / 1072 (2) Block: 250 / 572 (2) 237 eigenvectors found. (2) Block: 500 / 572 (2) 240 eigenvectors found. (2) Block: 572 / 572 (2) 67 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 559 eigenvectors found. (1) Complementary block size: 29 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. Tree of FC basis block matrices: - (9360, 9216), data: False |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1072, 1056), data: False |-- (1072, 13), data: (1072, 29) @ (29, 13) |-- (572, 559), data: False |-- (572, 15), data: (572, 28) @ (28, 15) |-- (72, 67), data: True |-- (250, 240), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (2048, 2016), data: False |-- (2048, 78), data: (2048, 110) @ (110, 78) |-- (548, 530), data: False |-- (548, 14), data: (548, 32) @ (32, 14) |-- (298, 284), data: True |-- (250, 232), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 468), data: False |-- (500, 25), data: (500, 57) @ (57, 25) |-- (250, 221), data: True |-- (250, 222), data: True |-- (2048, 2016), data: False |-- (2048, 82), data: (2048, 114) @ (114, 82) |-- (548, 520), data: False |-- (548, 17), data: (548, 45) @ (45, 17) |-- (298, 271), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 20), data: (500, 44) @ (44, 20) |-- (250, 230), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 218), data: True |-- (250, 220), data: True |-- (2048, 2016), data: False |-- (2048, 76), data: (2048, 108) @ (108, 76) |-- (548, 520), data: False |-- (548, 19), data: (548, 47) @ (47, 19) |-- (298, 274), data: True |-- (250, 227), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True |-- (500, 472), data: False |-- (500, 26), data: (500, 54) @ (54, 26) |-- (250, 224), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:55:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:55:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.464260010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.742533399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.849119710000000 Atomic positions (fractional): 1 O 0.77729758290857 0.54513016425533 0.87402109360506 15.999 2 O 0.22270241709143 0.45486983574467 0.37402109360506 15.999 3 O 0.27729758290857 0.95486983574467 0.87402109360506 15.999 4 O 0.72270241709143 0.04513016425533 0.37402109360506 15.999 5 O 0.77719889666590 0.46918415989864 0.12720691370964 15.999 6 O 0.22280110333410 0.53081584010136 0.62720691370964 15.999 7 O 0.27719889666590 0.03081584010136 0.12720691370964 15.999 8 O 0.72280110333410 0.96918415989864 0.62720691370964 15.999 9 O 0.73612040423711 0.95680166347788 0.87843052282240 15.999 10 O 0.26387959576289 0.04319833652212 0.37843052282240 15.999 11 O 0.23612040423711 0.54319833652212 0.87843052282240 15.999 12 O 0.76387959576289 0.45680166347788 0.37843052282240 15.999 13 O 0.73259686592783 0.04935140030210 0.11946661117711 15.999 14 O 0.26740313407217 0.95064859969790 0.61946661117711 15.999 15 O 0.23259686592783 0.45064859969790 0.11946661117711 15.999 16 O 0.39687423018086 0.66356141013328 0.72920162343553 15.999 17 O 0.76740313407217 0.54935140030210 0.61946661117711 15.999 18 O 0.10322061347234 0.78790042418778 0.46711458651001 15.999 19 O 0.39677938652766 0.28790042418778 0.96711458651001 15.999 20 O 0.60322061347234 0.71209957581222 0.46711458651001 15.999 21 O 0.89191030165540 0.80037364472182 0.03843106710122 15.999 22 O 0.10808969834460 0.19962635527818 0.53843106710122 15.999 23 O 0.39191030165540 0.69962635527818 0.03843106710122 15.999 24 O 0.60808969834460 0.30037364472182 0.53843106710122 15.999 25 O 0.98683949457402 0.49361339994369 0.12902751698588 15.999 26 O 0.01316050542598 0.50638660005631 0.62902751698588 15.999 27 O 0.48683949457402 0.00638660005631 0.12902751698588 15.999 28 O 0.51316050542598 0.99361339994369 0.62902751698588 15.999 29 O 0.00770119815703 0.46222916133203 0.38374282575021 15.999 30 O 0.99229880184297 0.53777083866797 0.88374282575021 15.999 31 O 0.50770119815703 0.03777083866797 0.38374282575021 15.999 32 O 0.49229880184297 0.96222916133203 0.88374282575021 15.999 33 O 0.89158343675976 0.17559222588495 0.26462102316730 15.999 34 O 0.10841656324024 0.82440777411505 0.76462102316729 15.999 35 O 0.39158343675976 0.32440777411505 0.26462102316730 15.999 36 O 0.60841656324024 0.67559222588495 0.76462102316729 15.999 37 O 0.10312576981914 0.16356141013328 0.22920162343553 15.999 38 O 0.89687423018086 0.83643858986672 0.72920162343553 15.999 39 O 0.60312576981914 0.33643858986672 0.22920162343553 15.999 40 O 0.89677938652766 0.21209957581222 0.96711458651001 15.999 41 Ge 0.81969240312970 0.00851306746743 0.99969411220374 72.640 42 Ge 0.18030759687030 0.99148693253257 0.49969411220374 72.640 43 Ge 0.31969240312970 0.49148693253257 0.99969411220374 72.640 44 Ge 0.68030759687030 0.50851306746743 0.49969411220374 72.640 45 Ge 0.50022515523736 0.82010342270431 0.74802467741845 72.640 46 Ge 0.49977484476264 0.17989657729569 0.24802467741844 72.640 47 Ge 0.00022515523736 0.67989657729569 0.74802467741845 72.640 48 Ge 0.99977484476264 0.32010342270431 0.24802467741844 72.640 49 Rb 0.88965050396540 0.19580792756754 0.56196311223062 85.468 50 Rb 0.11034949603460 0.80419207243246 0.06196311223062 85.468 51 Rb 0.38965050396540 0.30419207243246 0.56196311223062 85.468 52 Rb 0.61034949603460 0.69580792756754 0.06196311223062 85.468 53 Rb 0.61483691187381 0.27578087627921 0.81620768391256 85.468 54 Rb 0.38516308812619 0.72421912372079 0.31620768391256 85.468 55 Rb 0.11483691187381 0.22421912372079 0.81620768391256 85.468 56 Rb 0.88516308812619 0.77578087627921 0.31620768391256 85.468 57 Sb 0.75324555452094 0.75532398278211 0.74752950138249 121.760 58 Sb 0.24675444547906 0.24467601721789 0.24752950138249 121.760 59 Sb 0.25324555452094 0.74467601721789 0.74752950138249 121.760 60 Sb 0.74675444547906 0.25532398278211 0.24752950138249 121.760 61 Sb 0.61894448314746 0.00494199093006 0.50041706858781 121.760 62 Sb 0.38105551685254 0.99505800906994 0.00041706858781 121.760 63 Sb 0.11894448314747 0.49505800906994 0.50041706858781 121.760 64 Sb 0.88105551685254 0.50494199093006 0.00041706858781 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.464260010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.485066799999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.849119710000000 Atomic positions (fractional): 1 O 0.77729758290857 0.27256508212766 0.87402109360506 15.999 > 1 2 O 0.77729758290857 0.77256508212766 0.87402109360506 15.999 > 1 3 O 0.22270241709143 0.22743491787234 0.37402109360506 15.999 > 3 4 O 0.22270241709143 0.72743491787234 0.37402109360506 15.999 > 3 5 O 0.27729758290857 0.47743491787234 0.87402109360506 15.999 > 5 6 O 0.27729758290857 0.97743491787234 0.87402109360506 15.999 > 5 7 O 0.72270241709143 0.02256508212766 0.37402109360506 15.999 > 7 8 O 0.72270241709143 0.52256508212766 0.37402109360506 15.999 > 7 9 O 0.77719889666590 0.23459207994932 0.12720691370964 15.999 > 9 10 O 0.77719889666590 0.73459207994932 0.12720691370964 15.999 > 9 11 O 0.22280110333410 0.26540792005068 0.62720691370964 15.999 > 11 12 O 0.22280110333410 0.76540792005068 0.62720691370964 15.999 > 11 13 O 0.27719889666590 0.01540792005068 0.12720691370964 15.999 > 13 14 O 0.27719889666590 0.51540792005068 0.12720691370964 15.999 > 13 15 O 0.72280110333410 0.48459207994932 0.62720691370964 15.999 > 15 16 O 0.72280110333410 0.98459207994932 0.62720691370964 15.999 > 15 17 O 0.73612040423711 0.47840083173894 0.87843052282240 15.999 > 17 18 O 0.73612040423711 0.97840083173894 0.87843052282240 15.999 > 17 19 O 0.26387959576289 0.02159916826106 0.37843052282240 15.999 > 19 20 O 0.26387959576289 0.52159916826106 0.37843052282240 15.999 > 19 21 O 0.23612040423711 0.27159916826106 0.87843052282240 15.999 > 21 22 O 0.23612040423711 0.77159916826106 0.87843052282240 15.999 > 21 23 O 0.76387959576289 0.22840083173894 0.37843052282240 15.999 > 23 24 O 0.76387959576289 0.72840083173894 0.37843052282240 15.999 > 23 25 O 0.73259686592783 0.02467570015105 0.11946661117711 15.999 > 25 26 O 0.73259686592783 0.52467570015105 0.11946661117711 15.999 > 25 27 O 0.26740313407217 0.47532429984895 0.61946661117711 15.999 > 27 28 O 0.26740313407217 0.97532429984895 0.61946661117711 15.999 > 27 29 O 0.23259686592783 0.22532429984895 0.11946661117711 15.999 > 29 30 O 0.23259686592783 0.72532429984895 0.11946661117711 15.999 > 29 31 O 0.39687423018086 0.33178070506664 0.72920162343553 15.999 > 31 32 O 0.39687423018086 0.83178070506664 0.72920162343553 15.999 > 31 33 O 0.76740313407217 0.27467570015105 0.61946661117711 15.999 > 33 34 O 0.76740313407217 0.77467570015105 0.61946661117711 15.999 > 33 35 O 0.10322061347234 0.39395021209389 0.46711458651001 15.999 > 35 36 O 0.10322061347234 0.89395021209389 0.46711458651001 15.999 > 35 37 O 0.39677938652766 0.14395021209389 0.96711458651001 15.999 > 37 38 O 0.39677938652766 0.64395021209389 0.96711458651001 15.999 > 37 39 O 0.60322061347234 0.35604978790611 0.46711458651001 15.999 > 39 40 O 0.60322061347234 0.85604978790611 0.46711458651001 15.999 > 39 41 O 0.89191030165540 0.40018682236091 0.03843106710122 15.999 > 41 42 O 0.89191030165540 0.90018682236091 0.03843106710122 15.999 > 41 43 O 0.10808969834460 0.09981317763909 0.53843106710122 15.999 > 43 44 O 0.10808969834460 0.59981317763909 0.53843106710122 15.999 > 43 45 O 0.39191030165540 0.34981317763909 0.03843106710122 15.999 > 45 46 O 0.39191030165540 0.84981317763909 0.03843106710122 15.999 > 45 47 O 0.60808969834460 0.15018682236091 0.53843106710122 15.999 > 47 48 O 0.60808969834460 0.65018682236091 0.53843106710122 15.999 > 47 49 O 0.98683949457402 0.24680669997185 0.12902751698588 15.999 > 49 50 O 0.98683949457402 0.74680669997185 0.12902751698588 15.999 > 49 51 O 0.01316050542598 0.25319330002815 0.62902751698588 15.999 > 51 52 O 0.01316050542598 0.75319330002815 0.62902751698588 15.999 > 51 53 O 0.48683949457402 0.00319330002815 0.12902751698588 15.999 > 53 54 O 0.48683949457402 0.50319330002815 0.12902751698588 15.999 > 53 55 O 0.51316050542598 0.49680669997185 0.62902751698588 15.999 > 55 56 O 0.51316050542598 0.99680669997185 0.62902751698588 15.999 > 55 57 O 0.00770119815703 0.23111458066601 0.38374282575021 15.999 > 57 58 O 0.00770119815703 0.73111458066601 0.38374282575021 15.999 > 57 59 O 0.99229880184297 0.26888541933399 0.88374282575021 15.999 > 59 60 O 0.99229880184297 0.76888541933399 0.88374282575021 15.999 > 59 61 O 0.50770119815703 0.01888541933399 0.38374282575021 15.999 > 61 62 O 0.50770119815703 0.51888541933399 0.38374282575021 15.999 > 61 63 O 0.49229880184297 0.48111458066601 0.88374282575021 15.999 > 63 64 O 0.49229880184297 0.98111458066601 0.88374282575021 15.999 > 63 65 O 0.89158343675976 0.08779611294248 0.26462102316730 15.999 > 65 66 O 0.89158343675976 0.58779611294248 0.26462102316730 15.999 > 65 67 O 0.10841656324024 0.41220388705752 0.76462102316729 15.999 > 67 68 O 0.10841656324024 0.91220388705752 0.76462102316729 15.999 > 67 69 O 0.39158343675976 0.16220388705752 0.26462102316730 15.999 > 69 70 O 0.39158343675976 0.66220388705752 0.26462102316730 15.999 > 69 71 O 0.60841656324024 0.33779611294248 0.76462102316729 15.999 > 71 72 O 0.60841656324024 0.83779611294248 0.76462102316729 15.999 > 71 73 O 0.10312576981914 0.08178070506664 0.22920162343553 15.999 > 73 74 O 0.10312576981914 0.58178070506664 0.22920162343553 15.999 > 73 75 O 0.89687423018086 0.41821929493336 0.72920162343553 15.999 > 75 76 O 0.89687423018086 0.91821929493336 0.72920162343553 15.999 > 75 77 O 0.60312576981914 0.16821929493336 0.22920162343553 15.999 > 77 78 O 0.60312576981914 0.66821929493336 0.22920162343553 15.999 > 77 79 O 0.89677938652766 0.10604978790611 0.96711458651001 15.999 > 79 80 O 0.89677938652766 0.60604978790611 0.96711458651001 15.999 > 79 81 Ge 0.81969240312970 0.00425653373372 0.99969411220374 72.640 > 81 82 Ge 0.81969240312970 0.50425653373372 0.99969411220374 72.640 > 81 83 Ge 0.18030759687030 0.49574346626628 0.49969411220374 72.640 > 83 84 Ge 0.18030759687030 0.99574346626628 0.49969411220374 72.640 > 83 85 Ge 0.31969240312970 0.24574346626628 0.99969411220374 72.640 > 85 86 Ge 0.31969240312970 0.74574346626628 0.99969411220374 72.640 > 85 87 Ge 0.68030759687030 0.25425653373372 0.49969411220374 72.640 > 87 88 Ge 0.68030759687030 0.75425653373372 0.49969411220374 72.640 > 87 89 Ge 0.50022515523736 0.41005171135215 0.74802467741845 72.640 > 89 90 Ge 0.50022515523736 0.91005171135215 0.74802467741845 72.640 > 89 91 Ge 0.49977484476264 0.08994828864785 0.24802467741844 72.640 > 91 92 Ge 0.49977484476264 0.58994828864785 0.24802467741844 72.640 > 91 93 Ge 0.00022515523736 0.33994828864785 0.74802467741845 72.640 > 93 94 Ge 0.00022515523736 0.83994828864785 0.74802467741845 72.640 > 93 95 Ge 0.99977484476264 0.16005171135215 0.24802467741844 72.640 > 95 96 Ge 0.99977484476264 0.66005171135215 0.24802467741844 72.640 > 95 97 Rb 0.88965050396540 0.09790396378377 0.56196311223062 85.468 > 97 98 Rb 0.88965050396540 0.59790396378377 0.56196311223062 85.468 > 97 99 Rb 0.11034949603460 0.40209603621623 0.06196311223062 85.468 > 99 100 Rb 0.11034949603460 0.90209603621623 0.06196311223062 85.468 > 99 101 Rb 0.38965050396540 0.15209603621623 0.56196311223062 85.468 > 101 102 Rb 0.38965050396540 0.65209603621623 0.56196311223062 85.468 > 101 103 Rb 0.61034949603460 0.34790396378377 0.06196311223062 85.468 > 103 104 Rb 0.61034949603460 0.84790396378377 0.06196311223062 85.468 > 103 105 Rb 0.61483691187381 0.13789043813960 0.81620768391256 85.468 > 105 106 Rb 0.61483691187381 0.63789043813960 0.81620768391256 85.468 > 105 107 Rb 0.38516308812619 0.36210956186040 0.31620768391256 85.468 > 107 108 Rb 0.38516308812619 0.86210956186040 0.31620768391256 85.468 > 107 109 Rb 0.11483691187381 0.11210956186040 0.81620768391256 85.468 > 109 110 Rb 0.11483691187381 0.61210956186040 0.81620768391256 85.468 > 109 111 Rb 0.88516308812619 0.38789043813960 0.31620768391256 85.468 > 111 112 Rb 0.88516308812619 0.88789043813960 0.31620768391256 85.468 > 111 113 Sb 0.75324555452094 0.37766199139105 0.74752950138249 121.760 > 113 114 Sb 0.75324555452094 0.87766199139105 0.74752950138249 121.760 > 113 115 Sb 0.24675444547906 0.12233800860895 0.24752950138249 121.760 > 115 116 Sb 0.24675444547906 0.62233800860895 0.24752950138249 121.760 > 115 117 Sb 0.25324555452094 0.37233800860895 0.74752950138249 121.760 > 117 118 Sb 0.25324555452094 0.87233800860895 0.74752950138249 121.760 > 117 119 Sb 0.74675444547906 0.12766199139105 0.24752950138249 121.760 > 119 120 Sb 0.74675444547906 0.62766199139105 0.24752950138249 121.760 > 119 121 Sb 0.61894448314746 0.00247099546503 0.50041706858781 121.760 > 121 122 Sb 0.61894448314746 0.50247099546503 0.50041706858781 121.760 > 121 123 Sb 0.38105551685254 0.49752900453497 0.00041706858781 121.760 > 123 124 Sb 0.38105551685254 0.99752900453497 0.00041706858781 121.760 > 123 125 Sb 0.11894448314747 0.24752900453497 0.50041706858781 121.760 > 125 126 Sb 0.11894448314747 0.74752900453497 0.50041706858781 121.760 > 125 127 Sb 0.88105551685254 0.25247099546503 0.00041706858781 121.760 > 127 128 Sb 0.88105551685254 0.75247099546503 0.00041706858781 121.760 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3047618 0.0000000 0.0000000 0.0000000 3.3091736 0.0000000 0.0000000 0.0000000 3.4058806 -------------------------- Born effective charges -------------------------- 1 O -1.7022723 0.1867395 -0.6269183 0.2583553 -1.6997768 0.6515910 -0.6269795 0.6472649 -2.2810100 2 O -1.7022723 0.1867395 0.6269183 0.2583553 -1.6997768 -0.6515910 0.6269795 -0.6472649 -2.2810100 3 O -1.7022723 -0.1867395 -0.6269183 -0.2583553 -1.6997768 -0.6515910 -0.6269795 -0.6472649 -2.2810100 4 O -1.7022723 -0.1867395 0.6269183 -0.2583553 -1.6997768 0.6515910 0.6269795 0.6472649 -2.2810100 5 O -1.6769086 -0.1713373 0.5665006 -0.2867060 -1.7725300 0.6858313 0.5934652 0.6752466 -2.2399354 6 O -1.6769086 -0.1713373 -0.5665006 -0.2867060 -1.7725300 -0.6858313 -0.5934652 -0.6752466 -2.2399354 7 O -1.6769086 0.1713373 0.5665006 0.2867060 -1.7725300 -0.6858313 0.5934652 -0.6752466 -2.2399354 8 O -1.6769086 0.1713373 -0.5665006 0.2867060 -1.7725300 0.6858313 -0.5934652 0.6752466 -2.2399354 9 O -1.4636858 -0.0409492 -0.4546944 -0.0053704 -1.7480349 -0.6833002 -0.5724591 -0.6410396 -2.4054721 10 O -1.4636858 -0.0409492 0.4546944 -0.0053704 -1.7480349 0.6833002 0.5724591 0.6410396 -2.4054721 11 O -1.4636858 0.0409492 -0.4546944 0.0053704 -1.7480349 0.6833002 -0.5724591 0.6410396 -2.4054721 12 O -1.4636858 0.0409492 0.4546944 0.0053704 -1.7480349 -0.6833002 0.5724591 -0.6410396 -2.4054721 13 O -1.4547258 0.0410732 0.4255387 0.0450604 -1.7210545 -0.7569370 0.5324486 -0.7012759 -2.3593637 14 O -1.4547258 0.0410732 -0.4255387 0.0450604 -1.7210545 0.7569370 -0.5324486 0.7012759 -2.3593637 15 O -1.4547258 -0.0410732 0.4255387 -0.0450604 -1.7210545 0.7569370 0.5324486 0.7012759 -2.3593637 16 O -2.9132888 -0.2855737 0.0591460 -0.3907871 -1.3365631 -0.0965473 0.0583205 -0.1312904 -1.2761408 17 O -1.4547258 -0.0410732 -0.4255387 -0.0450604 -1.7210545 -0.7569370 -0.5324486 -0.7012759 -2.3593637 18 O -1.2659113 -0.4345858 -0.0854677 -0.4325380 -2.9564626 0.0362603 -0.1199764 0.0789519 -1.2496771 19 O -1.2659113 0.4345858 0.0854677 0.4325380 -2.9564626 0.0362603 0.1199764 0.0789519 -1.2496771 20 O -1.2659113 0.4345858 -0.0854677 0.4325380 -2.9564626 -0.0362603 -0.1199764 -0.0789519 -1.2496771 21 O -1.3552815 0.4515833 -0.1136031 0.4349941 -2.9388599 -0.0035453 -0.1141263 -0.1007542 -1.3639862 22 O -1.3552815 0.4515833 0.1136031 0.4349941 -2.9388599 0.0035453 0.1141263 0.1007542 -1.3639862 23 O -1.3552815 -0.4515833 -0.1136031 -0.4349941 -2.9388599 0.0035453 -0.1141263 0.1007542 -1.3639862 24 O -1.3552815 -0.4515833 0.1136031 -0.4349941 -2.9388599 -0.0035453 0.1141263 -0.1007542 -1.3639862 25 O -1.7760534 0.1692286 -0.7634218 0.0668483 -1.5473281 0.5294240 -0.5706398 0.6790524 -2.3111733 26 O -1.7760534 0.1692286 0.7634218 0.0668483 -1.5473281 -0.5294240 0.5706398 -0.6790524 -2.3111733 27 O -1.7760534 -0.1692286 -0.7634218 -0.0668483 -1.5473281 -0.5294240 -0.5706398 -0.6790524 -2.3111733 28 O -1.7760534 -0.1692286 0.7634218 -0.0668483 -1.5473281 0.5294240 0.5706398 0.6790524 -2.3111733 29 O -1.8399939 -0.1819800 -0.8632454 -0.0209790 -1.4297312 -0.4274349 -0.6290697 -0.5535672 -2.4040622 30 O -1.8399939 -0.1819800 0.8632454 -0.0209790 -1.4297312 0.4274349 0.6290697 0.5535672 -2.4040622 31 O -1.8399939 0.1819800 -0.8632454 0.0209790 -1.4297312 0.4274349 -0.6290697 0.5535672 -2.4040622 32 O -1.8399939 0.1819800 0.8632454 0.0209790 -1.4297312 -0.4274349 0.6290697 -0.5535672 -2.4040622 33 O -2.9024862 -0.2738440 -0.0604266 -0.3931928 -1.4554460 0.0700054 -0.0938046 0.0942946 -1.3498757 34 O -2.9024862 -0.2738440 0.0604266 -0.3931928 -1.4554460 -0.0700054 0.0938046 -0.0942946 -1.3498757 35 O -2.9024862 0.2738440 -0.0604266 0.3931928 -1.4554460 -0.0700054 -0.0938046 -0.0942946 -1.3498757 36 O -2.9024862 0.2738440 0.0604266 0.3931928 -1.4554460 0.0700054 0.0938046 0.0942946 -1.3498757 37 O -2.9132888 0.2855737 -0.0591460 0.3907871 -1.3365631 -0.0965473 -0.0583205 -0.1312904 -1.2761408 38 O -2.9132888 0.2855737 0.0591460 0.3907871 -1.3365631 0.0965473 0.0583205 0.1312904 -1.2761408 39 O -2.9132888 -0.2855737 -0.0591460 -0.3907871 -1.3365631 0.0965473 -0.0583205 0.1312904 -1.2761408 40 O -1.2659113 -0.4345858 0.0854677 -0.4325380 -2.9564626 -0.0362603 0.1199764 -0.0789519 -1.2496771 41 Ge 2.5415953 0.0293074 0.0758395 0.0499517 3.9600179 0.5790946 0.0499693 0.5037577 3.3377564 42 Ge 2.5415953 0.0293074 -0.0758395 0.0499517 3.9600179 -0.5790946 -0.0499693 -0.5037577 3.3377564 43 Ge 2.5415953 -0.0293074 0.0758395 -0.0499517 3.9600179 -0.5790946 0.0499693 -0.5037577 3.3377564 44 Ge 2.5415953 -0.0293074 -0.0758395 -0.0499517 3.9600179 0.5790946 -0.0499693 0.5037577 3.3377564 45 Ge 3.9614937 0.1329625 -0.8739934 0.0343475 2.5549435 -0.0101382 -0.2343577 -0.1139457 3.3344807 46 Ge 3.9614937 0.1329625 0.8739934 0.0343475 2.5549435 0.0101382 0.2343577 0.1139457 3.3344807 47 Ge 3.9614937 -0.1329625 -0.8739934 -0.0343475 2.5549435 0.0101382 -0.2343577 0.1139457 3.3344807 48 Ge 3.9614937 -0.1329625 0.8739934 -0.0343475 2.5549435 -0.0101382 0.2343577 -0.1139457 3.3344807 49 Rb 1.4365311 0.1524586 -0.0059873 0.1406884 1.3111939 -0.1131517 -0.0095935 -0.0752122 1.1366209 50 Rb 1.4365311 0.1524586 0.0059873 0.1406884 1.3111939 0.1131517 0.0095935 0.0752122 1.1366209 51 Rb 1.4365311 -0.1524586 -0.0059873 -0.1406884 1.3111939 0.1131517 -0.0095935 0.0752122 1.1366209 52 Rb 1.4365311 -0.1524586 0.0059873 -0.1406884 1.3111939 -0.1131517 0.0095935 -0.0752122 1.1366209 53 Rb 1.2073658 0.0863281 -0.0368616 0.0897828 1.5019107 -0.0603619 -0.0041154 -0.0513442 1.1592098 54 Rb 1.2073658 0.0863281 0.0368616 0.0897828 1.5019107 0.0603619 0.0041154 0.0513442 1.1592098 55 Rb 1.2073658 -0.0863281 -0.0368616 -0.0897828 1.5019107 0.0603619 -0.0041154 0.0513442 1.1592098 56 Rb 1.2073658 -0.0863281 0.0368616 -0.0897828 1.5019107 -0.0603619 0.0041154 -0.0513442 1.1592098 57 Sb 5.0257826 0.2385582 0.9108096 -0.7081767 4.0863124 0.0418573 0.2364350 -0.1446316 5.1896330 58 Sb 5.0257826 0.2385582 -0.9108096 -0.7081767 4.0863124 -0.0418573 -0.2364350 0.1446316 5.1896330 59 Sb 5.0257826 -0.2385582 0.9108096 0.7081767 4.0863124 -0.0418573 0.2364350 0.1446316 5.1896330 60 Sb 5.0257826 -0.2385582 -0.9108096 0.7081767 4.0863124 0.0418573 -0.2364350 -0.1446316 5.1896330 61 Sb 4.1778391 -0.0695069 -0.0251545 0.0337072 5.1914088 -0.8115616 0.0267987 -0.4536845 5.0829959 62 Sb 4.1778391 -0.0695069 0.0251545 0.0337072 5.1914088 0.8115616 -0.0267987 0.4536845 5.0829959 63 Sb 4.1778391 0.0695069 -0.0251545 -0.0337072 5.1914088 0.8115616 0.0267987 0.4536845 5.0829959 64 Sb 4.1778391 0.0695069 0.0251545 -0.0337072 5.1914088 -0.8115616 -0.0267987 -0.4536845 5.0829959 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 31, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 (yx) -0.00000000 (yx) 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 2026-01-07 21:56:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:56:49]------------------------- 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: 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: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.464260010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.742533399999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.849119710000000 Atomic positions (fractional): 1 O 0.77729758290857 0.54513016425533 0.87402109360506 15.999 2 O 0.22270241709143 0.45486983574467 0.37402109360506 15.999 3 O 0.27729758290857 0.95486983574467 0.87402109360506 15.999 4 O 0.72270241709143 0.04513016425533 0.37402109360506 15.999 5 O 0.77719889666590 0.46918415989864 0.12720691370964 15.999 6 O 0.22280110333410 0.53081584010136 0.62720691370964 15.999 7 O 0.27719889666590 0.03081584010136 0.12720691370964 15.999 8 O 0.72280110333410 0.96918415989864 0.62720691370964 15.999 9 O 0.73612040423711 0.95680166347788 0.87843052282240 15.999 10 O 0.26387959576289 0.04319833652212 0.37843052282240 15.999 11 O 0.23612040423711 0.54319833652212 0.87843052282240 15.999 12 O 0.76387959576289 0.45680166347788 0.37843052282240 15.999 13 O 0.73259686592783 0.04935140030210 0.11946661117711 15.999 14 O 0.26740313407217 0.95064859969790 0.61946661117711 15.999 15 O 0.23259686592783 0.45064859969790 0.11946661117711 15.999 16 O 0.39687423018086 0.66356141013328 0.72920162343553 15.999 17 O 0.76740313407217 0.54935140030210 0.61946661117711 15.999 18 O 0.10322061347234 0.78790042418778 0.46711458651001 15.999 19 O 0.39677938652766 0.28790042418778 0.96711458651001 15.999 20 O 0.60322061347234 0.71209957581222 0.46711458651001 15.999 21 O 0.89191030165540 0.80037364472182 0.03843106710122 15.999 22 O 0.10808969834460 0.19962635527818 0.53843106710122 15.999 23 O 0.39191030165540 0.69962635527818 0.03843106710122 15.999 24 O 0.60808969834460 0.30037364472182 0.53843106710122 15.999 25 O 0.98683949457402 0.49361339994369 0.12902751698588 15.999 26 O 0.01316050542598 0.50638660005631 0.62902751698588 15.999 27 O 0.48683949457402 0.00638660005631 0.12902751698588 15.999 28 O 0.51316050542598 0.99361339994369 0.62902751698588 15.999 29 O 0.00770119815703 0.46222916133203 0.38374282575021 15.999 30 O 0.99229880184297 0.53777083866797 0.88374282575021 15.999 31 O 0.50770119815703 0.03777083866797 0.38374282575021 15.999 32 O 0.49229880184297 0.96222916133203 0.88374282575021 15.999 33 O 0.89158343675976 0.17559222588495 0.26462102316730 15.999 34 O 0.10841656324024 0.82440777411505 0.76462102316729 15.999 35 O 0.39158343675976 0.32440777411505 0.26462102316730 15.999 36 O 0.60841656324024 0.67559222588495 0.76462102316729 15.999 37 O 0.10312576981914 0.16356141013328 0.22920162343553 15.999 38 O 0.89687423018086 0.83643858986672 0.72920162343553 15.999 39 O 0.60312576981914 0.33643858986672 0.22920162343553 15.999 40 O 0.89677938652766 0.21209957581222 0.96711458651001 15.999 41 Ge 0.81969240312970 0.00851306746743 0.99969411220374 72.640 42 Ge 0.18030759687030 0.99148693253257 0.49969411220374 72.640 43 Ge 0.31969240312970 0.49148693253257 0.99969411220374 72.640 44 Ge 0.68030759687030 0.50851306746743 0.49969411220374 72.640 45 Ge 0.50022515523736 0.82010342270431 0.74802467741845 72.640 46 Ge 0.49977484476264 0.17989657729569 0.24802467741844 72.640 47 Ge 0.00022515523736 0.67989657729569 0.74802467741845 72.640 48 Ge 0.99977484476264 0.32010342270431 0.24802467741844 72.640 49 Rb 0.88965050396540 0.19580792756754 0.56196311223062 85.468 50 Rb 0.11034949603460 0.80419207243246 0.06196311223062 85.468 51 Rb 0.38965050396540 0.30419207243246 0.56196311223062 85.468 52 Rb 0.61034949603460 0.69580792756754 0.06196311223062 85.468 53 Rb 0.61483691187381 0.27578087627921 0.81620768391256 85.468 54 Rb 0.38516308812619 0.72421912372079 0.31620768391256 85.468 55 Rb 0.11483691187381 0.22421912372079 0.81620768391256 85.468 56 Rb 0.88516308812619 0.77578087627921 0.31620768391256 85.468 57 Sb 0.75324555452094 0.75532398278211 0.74752950138249 121.760 58 Sb 0.24675444547906 0.24467601721789 0.24752950138249 121.760 59 Sb 0.25324555452094 0.74467601721789 0.74752950138249 121.760 60 Sb 0.74675444547906 0.25532398278211 0.24752950138249 121.760 61 Sb 0.61894448314746 0.00494199093006 0.50041706858781 121.760 62 Sb 0.38105551685254 0.99505800906994 0.00041706858781 121.760 63 Sb 0.11894448314747 0.49505800906994 0.50041706858781 121.760 64 Sb 0.88105551685254 0.50494199093006 0.00041706858781 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.464260010000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.485066799999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.849119710000000 Atomic positions (fractional): 1 O 0.77729758290857 0.27256508212766 0.87402109360506 15.999 > 1 2 O 0.77729758290857 0.77256508212766 0.87402109360506 15.999 > 1 3 O 0.22270241709143 0.22743491787234 0.37402109360506 15.999 > 3 4 O 0.22270241709143 0.72743491787234 0.37402109360506 15.999 > 3 5 O 0.27729758290857 0.47743491787234 0.87402109360506 15.999 > 5 6 O 0.27729758290857 0.97743491787234 0.87402109360506 15.999 > 5 7 O 0.72270241709143 0.02256508212766 0.37402109360506 15.999 > 7 8 O 0.72270241709143 0.52256508212766 0.37402109360506 15.999 > 7 9 O 0.77719889666590 0.23459207994932 0.12720691370964 15.999 > 9 10 O 0.77719889666590 0.73459207994932 0.12720691370964 15.999 > 9 11 O 0.22280110333410 0.26540792005068 0.62720691370964 15.999 > 11 12 O 0.22280110333410 0.76540792005068 0.62720691370964 15.999 > 11 13 O 0.27719889666590 0.01540792005068 0.12720691370964 15.999 > 13 14 O 0.27719889666590 0.51540792005068 0.12720691370964 15.999 > 13 15 O 0.72280110333410 0.48459207994932 0.62720691370964 15.999 > 15 16 O 0.72280110333410 0.98459207994932 0.62720691370964 15.999 > 15 17 O 0.73612040423711 0.47840083173894 0.87843052282240 15.999 > 17 18 O 0.73612040423711 0.97840083173894 0.87843052282240 15.999 > 17 19 O 0.26387959576289 0.02159916826106 0.37843052282240 15.999 > 19 20 O 0.26387959576289 0.52159916826106 0.37843052282240 15.999 > 19 21 O 0.23612040423711 0.27159916826106 0.87843052282240 15.999 > 21 22 O 0.23612040423711 0.77159916826106 0.87843052282240 15.999 > 21 23 O 0.76387959576289 0.22840083173894 0.37843052282240 15.999 > 23 24 O 0.76387959576289 0.72840083173894 0.37843052282240 15.999 > 23 25 O 0.73259686592783 0.02467570015105 0.11946661117711 15.999 > 25 26 O 0.73259686592783 0.52467570015105 0.11946661117711 15.999 > 25 27 O 0.26740313407217 0.47532429984895 0.61946661117711 15.999 > 27 28 O 0.26740313407217 0.97532429984895 0.61946661117711 15.999 > 27 29 O 0.23259686592783 0.22532429984895 0.11946661117711 15.999 > 29 30 O 0.23259686592783 0.72532429984895 0.11946661117711 15.999 > 29 31 O 0.39687423018086 0.33178070506664 0.72920162343553 15.999 > 31 32 O 0.39687423018086 0.83178070506664 0.72920162343553 15.999 > 31 33 O 0.76740313407217 0.27467570015105 0.61946661117711 15.999 > 33 34 O 0.76740313407217 0.77467570015105 0.61946661117711 15.999 > 33 35 O 0.10322061347234 0.39395021209389 0.46711458651001 15.999 > 35 36 O 0.10322061347234 0.89395021209389 0.46711458651001 15.999 > 35 37 O 0.39677938652766 0.14395021209389 0.96711458651001 15.999 > 37 38 O 0.39677938652766 0.64395021209389 0.96711458651001 15.999 > 37 39 O 0.60322061347234 0.35604978790611 0.46711458651001 15.999 > 39 40 O 0.60322061347234 0.85604978790611 0.46711458651001 15.999 > 39 41 O 0.89191030165540 0.40018682236091 0.03843106710122 15.999 > 41 42 O 0.89191030165540 0.90018682236091 0.03843106710122 15.999 > 41 43 O 0.10808969834460 0.09981317763909 0.53843106710122 15.999 > 43 44 O 0.10808969834460 0.59981317763909 0.53843106710122 15.999 > 43 45 O 0.39191030165540 0.34981317763909 0.03843106710122 15.999 > 45 46 O 0.39191030165540 0.84981317763909 0.03843106710122 15.999 > 45 47 O 0.60808969834460 0.15018682236091 0.53843106710122 15.999 > 47 48 O 0.60808969834460 0.65018682236091 0.53843106710122 15.999 > 47 49 O 0.98683949457402 0.24680669997185 0.12902751698588 15.999 > 49 50 O 0.98683949457402 0.74680669997185 0.12902751698588 15.999 > 49 51 O 0.01316050542598 0.25319330002815 0.62902751698588 15.999 > 51 52 O 0.01316050542598 0.75319330002815 0.62902751698588 15.999 > 51 53 O 0.48683949457402 0.00319330002815 0.12902751698588 15.999 > 53 54 O 0.48683949457402 0.50319330002815 0.12902751698588 15.999 > 53 55 O 0.51316050542598 0.49680669997185 0.62902751698588 15.999 > 55 56 O 0.51316050542598 0.99680669997185 0.62902751698588 15.999 > 55 57 O 0.00770119815703 0.23111458066601 0.38374282575021 15.999 > 57 58 O 0.00770119815703 0.73111458066601 0.38374282575021 15.999 > 57 59 O 0.99229880184297 0.26888541933399 0.88374282575021 15.999 > 59 60 O 0.99229880184297 0.76888541933399 0.88374282575021 15.999 > 59 61 O 0.50770119815703 0.01888541933399 0.38374282575021 15.999 > 61 62 O 0.50770119815703 0.51888541933399 0.38374282575021 15.999 > 61 63 O 0.49229880184297 0.48111458066601 0.88374282575021 15.999 > 63 64 O 0.49229880184297 0.98111458066601 0.88374282575021 15.999 > 63 65 O 0.89158343675976 0.08779611294248 0.26462102316730 15.999 > 65 66 O 0.89158343675976 0.58779611294248 0.26462102316730 15.999 > 65 67 O 0.10841656324024 0.41220388705752 0.76462102316729 15.999 > 67 68 O 0.10841656324024 0.91220388705752 0.76462102316729 15.999 > 67 69 O 0.39158343675976 0.16220388705752 0.26462102316730 15.999 > 69 70 O 0.39158343675976 0.66220388705752 0.26462102316730 15.999 > 69 71 O 0.60841656324024 0.33779611294248 0.76462102316729 15.999 > 71 72 O 0.60841656324024 0.83779611294248 0.76462102316729 15.999 > 71 73 O 0.10312576981914 0.08178070506664 0.22920162343553 15.999 > 73 74 O 0.10312576981914 0.58178070506664 0.22920162343553 15.999 > 73 75 O 0.89687423018086 0.41821929493336 0.72920162343553 15.999 > 75 76 O 0.89687423018086 0.91821929493336 0.72920162343553 15.999 > 75 77 O 0.60312576981914 0.16821929493336 0.22920162343553 15.999 > 77 78 O 0.60312576981914 0.66821929493336 0.22920162343553 15.999 > 77 79 O 0.89677938652766 0.10604978790611 0.96711458651001 15.999 > 79 80 O 0.89677938652766 0.60604978790611 0.96711458651001 15.999 > 79 81 Ge 0.81969240312970 0.00425653373372 0.99969411220374 72.640 > 81 82 Ge 0.81969240312970 0.50425653373372 0.99969411220374 72.640 > 81 83 Ge 0.18030759687030 0.49574346626628 0.49969411220374 72.640 > 83 84 Ge 0.18030759687030 0.99574346626628 0.49969411220374 72.640 > 83 85 Ge 0.31969240312970 0.24574346626628 0.99969411220374 72.640 > 85 86 Ge 0.31969240312970 0.74574346626628 0.99969411220374 72.640 > 85 87 Ge 0.68030759687030 0.25425653373372 0.49969411220374 72.640 > 87 88 Ge 0.68030759687030 0.75425653373372 0.49969411220374 72.640 > 87 89 Ge 0.50022515523736 0.41005171135215 0.74802467741845 72.640 > 89 90 Ge 0.50022515523736 0.91005171135215 0.74802467741845 72.640 > 89 91 Ge 0.49977484476264 0.08994828864785 0.24802467741844 72.640 > 91 92 Ge 0.49977484476264 0.58994828864785 0.24802467741844 72.640 > 91 93 Ge 0.00022515523736 0.33994828864785 0.74802467741845 72.640 > 93 94 Ge 0.00022515523736 0.83994828864785 0.74802467741845 72.640 > 93 95 Ge 0.99977484476264 0.16005171135215 0.24802467741844 72.640 > 95 96 Ge 0.99977484476264 0.66005171135215 0.24802467741844 72.640 > 95 97 Rb 0.88965050396540 0.09790396378377 0.56196311223062 85.468 > 97 98 Rb 0.88965050396540 0.59790396378377 0.56196311223062 85.468 > 97 99 Rb 0.11034949603460 0.40209603621623 0.06196311223062 85.468 > 99 100 Rb 0.11034949603460 0.90209603621623 0.06196311223062 85.468 > 99 101 Rb 0.38965050396540 0.15209603621623 0.56196311223062 85.468 > 101 102 Rb 0.38965050396540 0.65209603621623 0.56196311223062 85.468 > 101 103 Rb 0.61034949603460 0.34790396378377 0.06196311223062 85.468 > 103 104 Rb 0.61034949603460 0.84790396378377 0.06196311223062 85.468 > 103 105 Rb 0.61483691187381 0.13789043813960 0.81620768391256 85.468 > 105 106 Rb 0.61483691187381 0.63789043813960 0.81620768391256 85.468 > 105 107 Rb 0.38516308812619 0.36210956186040 0.31620768391256 85.468 > 107 108 Rb 0.38516308812619 0.86210956186040 0.31620768391256 85.468 > 107 109 Rb 0.11483691187381 0.11210956186040 0.81620768391256 85.468 > 109 110 Rb 0.11483691187381 0.61210956186040 0.81620768391256 85.468 > 109 111 Rb 0.88516308812619 0.38789043813960 0.31620768391256 85.468 > 111 112 Rb 0.88516308812619 0.88789043813960 0.31620768391256 85.468 > 111 113 Sb 0.75324555452094 0.37766199139105 0.74752950138249 121.760 > 113 114 Sb 0.75324555452094 0.87766199139105 0.74752950138249 121.760 > 113 115 Sb 0.24675444547906 0.12233800860895 0.24752950138249 121.760 > 115 116 Sb 0.24675444547906 0.62233800860895 0.24752950138249 121.760 > 115 117 Sb 0.25324555452094 0.37233800860895 0.74752950138249 121.760 > 117 118 Sb 0.25324555452094 0.87233800860895 0.74752950138249 121.760 > 117 119 Sb 0.74675444547906 0.12766199139105 0.24752950138249 121.760 > 119 120 Sb 0.74675444547906 0.62766199139105 0.24752950138249 121.760 > 119 121 Sb 0.61894448314746 0.00247099546503 0.50041706858781 121.760 > 121 122 Sb 0.61894448314746 0.50247099546503 0.50041706858781 121.760 > 121 123 Sb 0.38105551685254 0.49752900453497 0.00041706858781 121.760 > 123 124 Sb 0.38105551685254 0.99752900453497 0.00041706858781 121.760 > 123 125 Sb 0.11894448314747 0.24752900453497 0.50041706858781 121.760 > 125 126 Sb 0.11894448314747 0.74752900453497 0.50041706858781 121.760 > 125 127 Sb 0.88105551685254 0.25247099546503 0.00041706858781 121.760 > 127 128 Sb 0.88105551685254 0.75247099546503 0.00041706858781 121.760 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3047618 0.0000000 0.0000000 0.0000000 3.3091736 0.0000000 0.0000000 0.0000000 3.4058806 -------------------------- Born effective charges -------------------------- 1 O -1.7022723 0.1867395 -0.6269183 0.2583553 -1.6997768 0.6515910 -0.6269795 0.6472649 -2.2810100 2 O -1.7022723 0.1867395 0.6269183 0.2583553 -1.6997768 -0.6515910 0.6269795 -0.6472649 -2.2810100 3 O -1.7022723 -0.1867395 -0.6269183 -0.2583553 -1.6997768 -0.6515910 -0.6269795 -0.6472649 -2.2810100 4 O -1.7022723 -0.1867395 0.6269183 -0.2583553 -1.6997768 0.6515910 0.6269795 0.6472649 -2.2810100 5 O -1.6769086 -0.1713373 0.5665006 -0.2867060 -1.7725300 0.6858313 0.5934652 0.6752466 -2.2399354 6 O -1.6769086 -0.1713373 -0.5665006 -0.2867060 -1.7725300 -0.6858313 -0.5934652 -0.6752466 -2.2399354 7 O -1.6769086 0.1713373 0.5665006 0.2867060 -1.7725300 -0.6858313 0.5934652 -0.6752466 -2.2399354 8 O -1.6769086 0.1713373 -0.5665006 0.2867060 -1.7725300 0.6858313 -0.5934652 0.6752466 -2.2399354 9 O -1.4636858 -0.0409492 -0.4546944 -0.0053704 -1.7480349 -0.6833002 -0.5724591 -0.6410396 -2.4054721 10 O -1.4636858 -0.0409492 0.4546944 -0.0053704 -1.7480349 0.6833002 0.5724591 0.6410396 -2.4054721 11 O -1.4636858 0.0409492 -0.4546944 0.0053704 -1.7480349 0.6833002 -0.5724591 0.6410396 -2.4054721 12 O -1.4636858 0.0409492 0.4546944 0.0053704 -1.7480349 -0.6833002 0.5724591 -0.6410396 -2.4054721 13 O -1.4547258 0.0410732 0.4255387 0.0450604 -1.7210545 -0.7569370 0.5324486 -0.7012759 -2.3593637 14 O -1.4547258 0.0410732 -0.4255387 0.0450604 -1.7210545 0.7569370 -0.5324486 0.7012759 -2.3593637 15 O -1.4547258 -0.0410732 0.4255387 -0.0450604 -1.7210545 0.7569370 0.5324486 0.7012759 -2.3593637 16 O -2.9132888 -0.2855737 0.0591460 -0.3907871 -1.3365631 -0.0965473 0.0583205 -0.1312904 -1.2761408 17 O -1.4547258 -0.0410732 -0.4255387 -0.0450604 -1.7210545 -0.7569370 -0.5324486 -0.7012759 -2.3593637 18 O -1.2659113 -0.4345858 -0.0854677 -0.4325380 -2.9564626 0.0362603 -0.1199764 0.0789519 -1.2496771 19 O -1.2659113 0.4345858 0.0854677 0.4325380 -2.9564626 0.0362603 0.1199764 0.0789519 -1.2496771 20 O -1.2659113 0.4345858 -0.0854677 0.4325380 -2.9564626 -0.0362603 -0.1199764 -0.0789519 -1.2496771 21 O -1.3552815 0.4515833 -0.1136031 0.4349941 -2.9388599 -0.0035453 -0.1141263 -0.1007542 -1.3639862 22 O -1.3552815 0.4515833 0.1136031 0.4349941 -2.9388599 0.0035453 0.1141263 0.1007542 -1.3639862 23 O -1.3552815 -0.4515833 -0.1136031 -0.4349941 -2.9388599 0.0035453 -0.1141263 0.1007542 -1.3639862 24 O -1.3552815 -0.4515833 0.1136031 -0.4349941 -2.9388599 -0.0035453 0.1141263 -0.1007542 -1.3639862 25 O -1.7760534 0.1692286 -0.7634218 0.0668483 -1.5473281 0.5294240 -0.5706398 0.6790524 -2.3111733 26 O -1.7760534 0.1692286 0.7634218 0.0668483 -1.5473281 -0.5294240 0.5706398 -0.6790524 -2.3111733 27 O -1.7760534 -0.1692286 -0.7634218 -0.0668483 -1.5473281 -0.5294240 -0.5706398 -0.6790524 -2.3111733 28 O -1.7760534 -0.1692286 0.7634218 -0.0668483 -1.5473281 0.5294240 0.5706398 0.6790524 -2.3111733 29 O -1.8399939 -0.1819800 -0.8632454 -0.0209790 -1.4297312 -0.4274349 -0.6290697 -0.5535672 -2.4040622 30 O -1.8399939 -0.1819800 0.8632454 -0.0209790 -1.4297312 0.4274349 0.6290697 0.5535672 -2.4040622 31 O -1.8399939 0.1819800 -0.8632454 0.0209790 -1.4297312 0.4274349 -0.6290697 0.5535672 -2.4040622 32 O -1.8399939 0.1819800 0.8632454 0.0209790 -1.4297312 -0.4274349 0.6290697 -0.5535672 -2.4040622 33 O -2.9024862 -0.2738440 -0.0604266 -0.3931928 -1.4554460 0.0700054 -0.0938046 0.0942946 -1.3498757 34 O -2.9024862 -0.2738440 0.0604266 -0.3931928 -1.4554460 -0.0700054 0.0938046 -0.0942946 -1.3498757 35 O -2.9024862 0.2738440 -0.0604266 0.3931928 -1.4554460 -0.0700054 -0.0938046 -0.0942946 -1.3498757 36 O -2.9024862 0.2738440 0.0604266 0.3931928 -1.4554460 0.0700054 0.0938046 0.0942946 -1.3498757 37 O -2.9132888 0.2855737 -0.0591460 0.3907871 -1.3365631 -0.0965473 -0.0583205 -0.1312904 -1.2761408 38 O -2.9132888 0.2855737 0.0591460 0.3907871 -1.3365631 0.0965473 0.0583205 0.1312904 -1.2761408 39 O -2.9132888 -0.2855737 -0.0591460 -0.3907871 -1.3365631 0.0965473 -0.0583205 0.1312904 -1.2761408 40 O -1.2659113 -0.4345858 0.0854677 -0.4325380 -2.9564626 -0.0362603 0.1199764 -0.0789519 -1.2496771 41 Ge 2.5415953 0.0293074 0.0758395 0.0499517 3.9600179 0.5790946 0.0499693 0.5037577 3.3377564 42 Ge 2.5415953 0.0293074 -0.0758395 0.0499517 3.9600179 -0.5790946 -0.0499693 -0.5037577 3.3377564 43 Ge 2.5415953 -0.0293074 0.0758395 -0.0499517 3.9600179 -0.5790946 0.0499693 -0.5037577 3.3377564 44 Ge 2.5415953 -0.0293074 -0.0758395 -0.0499517 3.9600179 0.5790946 -0.0499693 0.5037577 3.3377564 45 Ge 3.9614937 0.1329625 -0.8739934 0.0343475 2.5549435 -0.0101382 -0.2343577 -0.1139457 3.3344807 46 Ge 3.9614937 0.1329625 0.8739934 0.0343475 2.5549435 0.0101382 0.2343577 0.1139457 3.3344807 47 Ge 3.9614937 -0.1329625 -0.8739934 -0.0343475 2.5549435 0.0101382 -0.2343577 0.1139457 3.3344807 48 Ge 3.9614937 -0.1329625 0.8739934 -0.0343475 2.5549435 -0.0101382 0.2343577 -0.1139457 3.3344807 49 Rb 1.4365311 0.1524586 -0.0059873 0.1406884 1.3111939 -0.1131517 -0.0095935 -0.0752122 1.1366209 50 Rb 1.4365311 0.1524586 0.0059873 0.1406884 1.3111939 0.1131517 0.0095935 0.0752122 1.1366209 51 Rb 1.4365311 -0.1524586 -0.0059873 -0.1406884 1.3111939 0.1131517 -0.0095935 0.0752122 1.1366209 52 Rb 1.4365311 -0.1524586 0.0059873 -0.1406884 1.3111939 -0.1131517 0.0095935 -0.0752122 1.1366209 53 Rb 1.2073658 0.0863281 -0.0368616 0.0897828 1.5019107 -0.0603619 -0.0041154 -0.0513442 1.1592098 54 Rb 1.2073658 0.0863281 0.0368616 0.0897828 1.5019107 0.0603619 0.0041154 0.0513442 1.1592098 55 Rb 1.2073658 -0.0863281 -0.0368616 -0.0897828 1.5019107 0.0603619 -0.0041154 0.0513442 1.1592098 56 Rb 1.2073658 -0.0863281 0.0368616 -0.0897828 1.5019107 -0.0603619 0.0041154 -0.0513442 1.1592098 57 Sb 5.0257826 0.2385582 0.9108096 -0.7081767 4.0863124 0.0418573 0.2364350 -0.1446316 5.1896330 58 Sb 5.0257826 0.2385582 -0.9108096 -0.7081767 4.0863124 -0.0418573 -0.2364350 0.1446316 5.1896330 59 Sb 5.0257826 -0.2385582 0.9108096 0.7081767 4.0863124 -0.0418573 0.2364350 0.1446316 5.1896330 60 Sb 5.0257826 -0.2385582 -0.9108096 0.7081767 4.0863124 0.0418573 -0.2364350 -0.1446316 5.1896330 61 Sb 4.1778391 -0.0695069 -0.0251545 0.0337072 5.1914088 -0.8115616 0.0267987 -0.4536845 5.0829959 62 Sb 4.1778391 -0.0695069 0.0251545 0.0337072 5.1914088 0.8115616 -0.0267987 0.4536845 5.0829959 63 Sb 4.1778391 0.0695069 -0.0251545 -0.0337072 5.1914088 0.8115616 0.0267987 0.4536845 5.0829959 64 Sb 4.1778391 0.0695069 0.0251545 -0.0337072 5.1914088 -0.8115616 -0.0267987 -0.4536845 5.0829959 ---------------------------------------------------------------------------- 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 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 7 5 ] 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: 0.42, Number of G-points: 307, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/36) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.073 ( 0.000 0.000 -0.000) 0.000 1.211 ( 0.000 0.000 -0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 -0.000) 0.000 1.738 ( 0.000 0.000 0.000) 0.000 1.787 ( 0.000 0.000 -0.000) 0.000 1.806 ( 0.000 0.000 -0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.027 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 -0.000) 0.000 2.211 ( 0.000 0.000 -0.000) 0.000 2.220 ( 0.000 0.000 -0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 -0.000) 0.000 2.319 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.565 ( 0.000 0.000 -0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.761 ( 0.000 0.000 -0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 -0.000) 0.000 3.241 ( 0.000 0.000 0.000) 0.000 3.313 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 0.000 0.000) 0.000 3.588 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 -0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.899 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.079 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.395 ( 0.000 0.000 0.000) 0.000 4.400 ( 0.000 0.000 -0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.620 ( 0.000 0.000 -0.000) 0.000 4.637 ( 0.000 0.000 0.000) 0.000 4.710 ( 0.000 0.000 0.000) 0.000 4.878 ( 0.000 0.000 -0.000) 0.000 4.961 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 -0.000) 0.000 5.161 ( 0.000 0.000 -0.000) 0.000 5.276 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.342 ( 0.000 0.000 0.000) 0.000 5.391 ( 0.000 0.000 0.000) 0.000 5.457 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 -0.000) 0.000 5.576 ( 0.000 0.000 0.000) 0.000 5.577 ( 0.000 0.000 -0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 -0.000) 0.000 5.867 ( 0.000 0.000 -0.000) 0.000 5.888 ( 0.000 0.000 0.000) 0.000 5.900 ( 0.000 0.000 -0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 5.958 ( 0.000 0.000 0.000) 0.000 6.121 ( 0.000 0.000 -0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.237 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 -0.000) 0.000 6.614 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 -0.000) 0.000 6.764 ( 0.000 0.000 0.000) 0.000 6.822 ( 0.000 0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 7.036 ( 0.000 0.000 0.000) 0.000 7.312 ( 0.000 0.000 -0.000) 0.000 7.493 ( 0.000 0.000 0.000) 0.000 7.539 ( 0.000 0.000 0.000) 0.000 7.664 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.679 ( 0.000 0.000 -0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.915 ( 0.000 0.000 0.000) 0.000 8.003 ( 0.000 0.000 -0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.115 ( 0.000 0.000 0.000) 0.000 8.274 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 -0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 8.983 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.126 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 -0.000) 0.000 9.489 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 -0.000) 0.000 9.532 ( 0.000 0.000 -0.000) 0.000 9.705 ( 0.000 0.000 -0.000) 0.000 10.199 ( 0.000 0.000 -0.000) 0.000 10.369 ( 0.000 0.000 0.000) 0.000 10.458 ( 0.000 0.000 0.000) 0.000 10.975 ( 0.000 0.000 -0.000) 0.000 11.759 ( 0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 -0.000) 0.000 11.954 ( 0.000 0.000 0.000) 0.000 12.187 ( 0.000 0.000 0.000) 0.000 12.196 ( 0.000 0.000 0.000) 0.000 12.237 ( 0.000 0.000 0.000) 0.000 12.527 ( 0.000 0.000 0.000) 0.000 12.685 ( 0.000 0.000 0.000) 0.000 12.759 ( 0.000 0.000 0.000) 0.000 12.830 ( 0.000 0.000 0.000) 0.000 12.860 ( 0.000 0.000 -0.000) 0.000 12.902 ( 0.000 0.000 0.000) 0.000 12.912 ( 0.000 0.000 0.000) 0.000 12.934 ( 0.000 0.000 -0.000) 0.000 13.016 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 -0.000) 0.000 13.234 ( 0.000 0.000 0.000) 0.000 13.468 ( 0.000 0.000 -0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 14.033 ( 0.000 0.000 0.000) 0.000 14.136 ( 0.000 0.000 -0.000) 0.000 14.292 ( 0.000 0.000 0.000) 0.000 14.307 ( 0.000 0.000 -0.000) 0.000 14.322 ( 0.000 0.000 0.000) 0.000 14.619 ( 0.000 0.000 0.000) 0.000 14.680 ( 0.000 0.000 0.000) 0.000 14.731 ( 0.000 0.000 -0.000) 0.000 14.818 ( 0.000 0.000 0.000) 0.000 15.003 ( 0.000 0.000 -0.000) 0.000 15.036 ( 0.000 0.000 0.000) 0.000 15.061 ( 0.000 0.000 -0.000) 0.000 15.161 ( 0.000 0.000 0.000) 0.000 15.174 ( 0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 -0.000) 0.000 15.464 ( 0.000 0.000 0.000) 0.000 15.710 ( 0.000 0.000 0.000) 0.000 16.005 ( 0.000 0.000 0.000) 0.000 16.399 ( 0.000 0.000 0.000) 0.000 18.607 ( 0.000 0.000 0.000) 0.000 18.685 ( 0.000 0.000 0.000) 0.000 19.448 ( 0.000 0.000 0.000) 0.000 19.748 ( 0.000 0.000 -0.000) 0.000 20.291 ( 0.000 0.000 0.000) 0.000 20.302 ( 0.000 0.000 0.000) 0.000 20.848 ( 0.000 0.000 0.000) 0.000 21.048 ( 0.000 0.000 0.000) 0.000 21.208 ( 0.000 0.000 0.000) 0.000 21.365 ( 0.000 0.000 -0.000) 0.000 21.401 ( 0.000 0.000 -0.000) 0.000 21.409 ( 0.000 0.000 0.000) 0.000 21.456 ( 0.000 0.000 0.000) 0.000 21.526 ( 0.000 0.000 0.000) 0.000 21.758 ( 0.000 0.000 0.000) 0.000 21.821 ( 0.000 0.000 0.000) 0.000 21.871 ( 0.000 0.000 -0.000) 0.000 21.981 ( 0.000 0.000 -0.000) 0.000 22.074 ( 0.000 0.000 0.000) 0.000 22.184 ( 0.000 0.000 0.000) 0.000 22.195 ( 0.000 0.000 -0.000) 0.000 22.257 ( 0.000 0.000 0.000) 0.000 22.390 ( 0.000 0.000 0.000) 0.000 22.492 ( 0.000 0.000 0.000) 0.000 22.522 ( 0.000 0.000 0.000) 0.000 23.768 ( 0.000 0.000 -0.000) 0.000 23.996 ( 0.000 0.000 0.000) 0.000 24.173 ( 0.000 0.000 0.000) 0.000 24.332 ( 0.000 0.000 0.000) 0.000 24.395 ( 0.000 0.000 -0.000) 0.000 24.521 ( 0.000 0.000 0.000) 0.000 24.656 ( 0.000 0.000 0.000) 0.000 24.686 ( 0.000 0.000 0.000) 0.000 24.687 ( 0.000 0.000 -0.000) 0.000 24.784 ( 0.000 0.000 -0.000) 0.000 24.860 ( 0.000 0.000 0.000) 0.000 25.312 ( 0.000 0.000 0.000) 0.000 25.444 ( 0.000 0.000 -0.000) 0.000 25.480 ( 0.000 0.000 0.000) 0.000 25.533 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/36) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 25.193 0.000 0.000) 25.193 0.551 ( 28.671 0.000 0.000) 28.671 0.969 ( 42.893 0.000 0.000) 42.893 1.114 ( 3.951 0.000 0.000) 3.951 1.255 ( 0.418 0.000 0.000) 0.418 1.457 ( -0.432 0.000 0.000) 0.432 1.600 ( -0.683 0.000 0.000) 0.683 1.620 ( -3.861 0.000 0.000) 3.861 1.700 ( -5.524 0.000 0.000) 5.524 1.801 ( -0.916 0.000 0.000) 0.916 1.809 ( 2.714 0.000 0.000) 2.714 1.820 ( -0.628 0.000 0.000) 0.628 1.889 ( 1.724 0.000 0.000) 1.724 1.911 ( -6.994 0.000 0.000) 6.994 2.021 ( 3.280 0.000 0.000) 3.280 2.175 ( -0.050 0.000 0.000) 0.050 2.188 ( -7.936 0.000 0.000) 7.936 2.246 ( -4.213 0.000 0.000) 4.213 2.248 ( 3.514 0.000 0.000) 3.514 2.284 ( -0.978 0.000 0.000) 0.978 2.297 ( 6.079 0.000 0.000) 6.079 2.475 ( 3.573 0.000 0.000) 3.573 2.495 ( -3.277 0.000 0.000) 3.277 2.530 ( -3.724 0.000 0.000) 3.724 2.636 ( -1.217 0.000 0.000) 1.217 2.810 ( 3.007 0.000 0.000) 3.007 2.842 ( -0.163 0.000 0.000) 0.163 2.869 ( 3.125 0.000 0.000) 3.125 2.920 ( -10.408 0.000 0.000) 10.408 3.060 ( 10.853 0.000 0.000) 10.853 3.157 ( -9.374 0.000 0.000) 9.374 3.383 ( -1.844 0.000 0.000) 1.844 3.388 ( 5.043 0.000 0.000) 5.043 3.521 ( 0.173 0.000 0.000) 0.173 3.596 ( 0.305 0.000 0.000) 0.305 3.607 ( 3.067 0.000 0.000) 3.067 3.671 ( 0.963 0.000 0.000) 0.963 3.769 ( -3.813 0.000 0.000) 3.813 3.843 ( -4.746 0.000 0.000) 4.746 3.860 ( -9.043 0.000 0.000) 9.043 3.954 ( -0.558 0.000 0.000) 0.558 4.110 ( 8.212 0.000 0.000) 8.212 4.116 ( 4.993 0.000 0.000) 4.993 4.230 ( 9.889 0.000 0.000) 9.889 4.317 ( -12.165 0.000 0.000) 12.165 4.364 ( -6.424 0.000 0.000) 6.424 4.426 ( 0.082 0.000 0.000) 0.082 4.559 ( -2.768 0.000 0.000) 2.768 4.634 ( 3.101 0.000 0.000) 3.101 4.796 ( 5.096 0.000 0.000) 5.096 4.863 ( -6.819 0.000 0.000) 6.819 4.931 ( -8.067 0.000 0.000) 8.067 4.992 ( 6.492 0.000 0.000) 6.492 5.129 ( -1.600 0.000 0.000) 1.600 5.206 ( 3.876 0.000 0.000) 3.876 5.250 ( 1.082 0.000 0.000) 1.082 5.259 ( -6.390 0.000 0.000) 6.390 5.328 ( 2.305 0.000 0.000) 2.305 5.389 ( -5.577 0.000 0.000) 5.577 5.460 ( 1.084 0.000 0.000) 1.084 5.469 ( 0.550 0.000 0.000) 0.550 5.540 ( -1.777 0.000 0.000) 1.777 5.607 ( -10.473 0.000 0.000) 10.473 5.646 ( 2.845 0.000 0.000) 2.845 5.673 ( 1.499 0.000 0.000) 1.499 5.699 ( -2.237 0.000 0.000) 2.237 5.832 ( -5.014 0.000 0.000) 5.014 5.835 ( -1.658 0.000 0.000) 1.658 5.951 ( 2.834 0.000 0.000) 2.834 5.953 ( 1.905 0.000 0.000) 1.905 6.086 ( 4.980 0.000 0.000) 4.980 6.145 ( 11.973 0.000 0.000) 11.973 6.270 ( -0.253 0.000 0.000) 0.253 6.299 ( 8.849 0.000 0.000) 8.849 6.501 ( -2.154 0.000 0.000) 2.154 6.531 ( -6.788 0.000 0.000) 6.788 6.583 ( -0.944 0.000 0.000) 0.944 6.717 ( -2.832 0.000 0.000) 2.832 6.787 ( -7.956 0.000 0.000) 7.956 6.810 ( -1.084 0.000 0.000) 1.084 6.863 ( 7.104 0.000 0.000) 7.104 7.044 ( 1.737 0.000 0.000) 1.737 7.116 ( 3.754 0.000 0.000) 3.754 7.330 ( 1.137 0.000 0.000) 1.137 7.379 ( -9.875 0.000 0.000) 9.875 7.437 ( -6.833 0.000 0.000) 6.833 7.589 ( -1.693 0.000 0.000) 1.693 7.630 ( -3.781 0.000 0.000) 3.781 7.754 ( 4.186 0.000 0.000) 4.186 7.769 ( 1.392 0.000 0.000) 1.392 8.023 ( 2.873 0.000 0.000) 2.873 8.149 ( 14.951 0.000 0.000) 14.951 8.193 ( 7.497 0.000 0.000) 7.497 8.205 ( 7.487 0.000 0.000) 7.487 8.211 ( -5.436 0.000 0.000) 5.436 8.563 ( 5.364 0.000 0.000) 5.364 8.663 ( -15.638 0.000 0.000) 15.638 8.775 ( -4.545 0.000 0.000) 4.545 8.916 ( -1.853 0.000 0.000) 1.853 8.925 ( -4.126 0.000 0.000) 4.126 8.927 ( -1.229 0.000 0.000) 1.229 9.059 ( -6.692 0.000 0.000) 6.692 9.204 ( 10.423 0.000 0.000) 10.423 9.278 ( 6.061 0.000 0.000) 6.061 9.457 ( -3.429 0.000 0.000) 3.429 9.487 ( -3.970 0.000 0.000) 3.970 9.669 ( 14.497 0.000 0.000) 14.497 9.783 ( 6.912 0.000 0.000) 6.912 10.093 ( -8.411 0.000 0.000) 8.411 10.257 ( -11.901 0.000 0.000) 11.901 10.587 ( 10.507 0.000 0.000) 10.507 10.925 ( -5.338 0.000 0.000) 5.338 11.774 ( 1.567 0.000 0.000) 1.567 11.841 ( -1.303 0.000 0.000) 1.303 12.035 ( 7.966 0.000 0.000) 7.966 12.187 ( 0.846 0.000 0.000) 0.846 12.189 ( -0.756 0.000 0.000) 0.756 12.301 ( 6.156 0.000 0.000) 6.156 12.450 ( -7.698 0.000 0.000) 7.698 12.637 ( -8.072 0.000 0.000) 8.072 12.766 ( 0.808 0.000 0.000) 0.808 12.813 ( -2.499 0.000 0.000) 2.499 12.840 ( 0.744 0.000 0.000) 0.744 12.868 ( 0.816 0.000 0.000) 0.816 12.895 ( -0.732 0.000 0.000) 0.732 12.968 ( -3.405 0.000 0.000) 3.405 13.084 ( 5.863 0.000 0.000) 5.863 13.146 ( 0.411 0.000 0.000) 0.411 13.310 ( 2.073 0.000 0.000) 2.073 13.441 ( -3.017 0.000 0.000) 3.017 13.628 ( 1.217 0.000 0.000) 1.217 13.673 ( 0.252 0.000 0.000) 0.252 13.876 ( -1.192 0.000 0.000) 1.192 13.991 ( -4.002 0.000 0.000) 4.002 14.152 ( 1.409 0.000 0.000) 1.409 14.281 ( -2.923 0.000 0.000) 2.923 14.360 ( 8.070 0.000 0.000) 8.070 14.434 ( 7.432 0.000 0.000) 7.432 14.648 ( -3.242 0.000 0.000) 3.242 14.723 ( -8.561 0.000 0.000) 8.561 14.790 ( 5.819 0.000 0.000) 5.819 14.990 ( -1.586 0.000 0.000) 1.586 15.025 ( -0.944 0.000 0.000) 0.944 15.041 ( -2.601 0.000 0.000) 2.601 15.187 ( 2.694 0.000 0.000) 2.694 15.237 ( 5.593 0.000 0.000) 5.593 15.293 ( -1.879 0.000 0.000) 1.879 15.430 ( -3.418 0.000 0.000) 3.418 15.652 ( 1.139 0.000 0.000) 1.139 15.699 ( -1.013 0.000 0.000) 1.013 16.375 ( 0.419 0.000 0.000) 0.419 16.395 ( -0.411 0.000 0.000) 0.411 18.619 ( 1.179 0.000 0.000) 1.179 18.677 ( -1.305 0.000 0.000) 1.305 19.488 ( 4.123 0.000 0.000) 4.123 19.698 ( -4.900 0.000 0.000) 4.900 20.292 ( 0.142 0.000 0.000) 0.142 20.300 ( -0.197 0.000 0.000) 0.197 20.905 ( 5.632 0.000 0.000) 5.632 21.122 ( -3.511 0.000 0.000) 3.511 21.370 ( 0.498 0.000 0.000) 0.498 21.397 ( -0.618 0.000 0.000) 0.618 21.403 ( 0.241 0.000 0.000) 0.241 21.409 ( -0.014 0.000 0.000) 0.014 21.462 ( 0.696 0.000 0.000) 0.696 21.512 ( -1.358 0.000 0.000) 1.358 21.761 ( 0.421 0.000 0.000) 0.421 21.804 ( -1.607 0.000 0.000) 1.607 21.982 ( 0.167 0.000 0.000) 0.167 22.024 ( -2.698 0.000 0.000) 2.698 22.159 ( 2.045 0.000 0.000) 2.045 22.184 ( -0.041 0.000 0.000) 0.041 22.278 ( 2.193 0.000 0.000) 2.193 22.372 ( -1.823 0.000 0.000) 1.823 22.497 ( 0.457 0.000 0.000) 0.457 22.517 ( -0.454 0.000 0.000) 0.454 23.787 ( 2.074 0.000 0.000) 2.074 23.922 ( -4.538 0.000 0.000) 4.538 24.076 ( 3.354 0.000 0.000) 3.354 24.163 ( -1.092 0.000 0.000) 1.092 24.358 ( 2.602 0.000 0.000) 2.602 24.403 ( 0.753 0.000 0.000) 0.753 24.532 ( -1.460 0.000 0.000) 1.460 24.584 ( -4.596 0.000 0.000) 4.596 24.715 ( 2.654 0.000 0.000) 2.654 24.737 ( 2.371 0.000 0.000) 2.371 24.789 ( 0.425 0.000 0.000) 0.425 24.843 ( -1.746 0.000 0.000) 1.746 25.327 ( 1.623 0.000 0.000) 1.623 25.419 ( -2.360 0.000 0.000) 2.360 25.490 ( 0.906 0.000 0.000) 0.906 25.526 ( -0.684 0.000 0.000) 0.684 ======================= Grid point 2 (3/36) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( -17.390 0.000 0.000) 17.390 0.900 ( 17.390 0.000 0.000) 17.390 1.035 ( -21.071 0.000 0.000) 21.071 1.035 ( 21.071 0.000 0.000) 21.071 1.547 ( -3.357 0.000 0.000) 3.357 1.547 ( 3.357 0.000 0.000) 3.357 1.580 ( -1.835 0.000 0.000) 1.835 1.580 ( 1.835 0.000 0.000) 1.835 1.719 ( -15.718 0.000 0.000) 15.718 1.719 ( 15.718 0.000 0.000) 15.718 1.822 ( -0.118 0.000 0.000) 0.118 1.822 ( 0.118 0.000 0.000) 0.118 1.888 ( -7.325 0.000 0.000) 7.325 1.888 ( 7.325 0.000 0.000) 7.325 1.976 ( -1.755 0.000 0.000) 1.755 1.976 ( 1.755 0.000 0.000) 1.755 2.213 ( -1.564 0.000 0.000) 1.564 2.213 ( 1.564 0.000 0.000) 1.564 2.272 ( -0.196 0.000 0.000) 0.196 2.272 ( 0.196 0.000 0.000) 0.196 2.440 ( -3.493 0.000 0.000) 3.493 2.440 ( 3.493 0.000 0.000) 3.493 2.556 ( -8.644 0.000 0.000) 8.644 2.556 ( 8.644 0.000 0.000) 8.644 2.706 ( -16.001 0.000 0.000) 16.001 2.706 ( 16.001 0.000 0.000) 16.001 2.791 ( -0.237 0.000 0.000) 0.237 2.791 ( 0.237 0.000 0.000) 0.237 2.974 ( -6.222 0.000 0.000) 6.222 2.974 ( 6.222 0.000 0.000) 6.222 3.273 ( -10.904 0.000 0.000) 10.904 3.273 ( 10.904 0.000 0.000) 10.904 3.451 ( -1.907 0.000 0.000) 1.907 3.451 ( 1.907 0.000 0.000) 1.907 3.662 ( -1.345 0.000 0.000) 1.345 3.662 ( 1.345 0.000 0.000) 1.345 3.701 ( -4.347 0.000 0.000) 4.347 3.701 ( 4.347 0.000 0.000) 4.347 3.774 ( -1.249 0.000 0.000) 1.249 3.774 ( 1.249 0.000 0.000) 1.249 4.046 ( -11.485 0.000 0.000) 11.485 4.046 ( 11.485 0.000 0.000) 11.485 4.212 ( -2.499 0.000 0.000) 2.499 4.212 ( 2.499 0.000 0.000) 2.499 4.319 ( -2.387 0.000 0.000) 2.387 4.319 ( 2.387 0.000 0.000) 2.387 4.464 ( -7.270 0.000 0.000) 7.270 4.464 ( 7.270 0.000 0.000) 7.270 4.732 ( -4.985 0.000 0.000) 4.985 4.732 ( 4.985 0.000 0.000) 4.985 4.835 ( -0.250 0.000 0.000) 0.250 4.835 ( 0.250 0.000 0.000) 0.250 5.113 ( -7.718 0.000 0.000) 7.718 5.113 ( 7.718 0.000 0.000) 7.718 5.203 ( -7.479 0.000 0.000) 7.479 5.203 ( 7.479 0.000 0.000) 7.479 5.299 ( -1.191 0.000 0.000) 1.191 5.299 ( 1.191 0.000 0.000) 1.191 5.392 ( -6.466 0.000 0.000) 6.466 5.392 ( 6.466 0.000 0.000) 6.466 5.496 ( -2.634 0.000 0.000) 2.634 5.496 ( 2.634 0.000 0.000) 2.634 5.577 ( -5.546 0.000 0.000) 5.546 5.577 ( 5.546 0.000 0.000) 5.546 5.693 ( -0.549 0.000 0.000) 0.549 5.693 ( 0.549 0.000 0.000) 0.549 5.806 ( -1.290 0.000 0.000) 1.290 5.806 ( 1.290 0.000 0.000) 1.290 5.974 ( -0.242 0.000 0.000) 0.242 5.974 ( 0.242 0.000 0.000) 0.242 6.210 ( -5.807 0.000 0.000) 5.807 6.210 ( 5.807 0.000 0.000) 5.807 6.357 ( -8.779 0.000 0.000) 8.779 6.357 ( 8.779 0.000 0.000) 8.779 6.447 ( -3.674 0.000 0.000) 3.674 6.447 ( 3.674 0.000 0.000) 3.674 6.620 ( -5.266 0.000 0.000) 5.266 6.620 ( 5.266 0.000 0.000) 5.266 6.751 ( -3.187 0.000 0.000) 3.187 6.751 ( 3.187 0.000 0.000) 3.187 7.001 ( -6.107 0.000 0.000) 6.107 7.001 ( 6.107 0.000 0.000) 6.107 7.213 ( -7.087 0.000 0.000) 7.087 7.213 ( 7.087 0.000 0.000) 7.087 7.359 ( -2.195 0.000 0.000) 2.195 7.359 ( 2.195 0.000 0.000) 2.195 7.585 ( -0.969 0.000 0.000) 0.969 7.585 ( 0.969 0.000 0.000) 0.969 7.788 ( -0.244 0.000 0.000) 0.244 7.788 ( 0.244 0.000 0.000) 0.244 8.106 ( -5.404 0.000 0.000) 5.404 8.106 ( 5.404 0.000 0.000) 5.404 8.301 ( -0.439 0.000 0.000) 0.439 8.301 ( 0.439 0.000 0.000) 0.439 8.390 ( -12.991 0.000 0.000) 12.991 8.390 ( 12.991 0.000 0.000) 12.991 8.672 ( -6.096 0.000 0.000) 6.096 8.672 ( 6.096 0.000 0.000) 6.096 8.903 ( -1.229 0.000 0.000) 1.229 8.903 ( 1.229 0.000 0.000) 1.229 8.927 ( -4.768 0.000 0.000) 4.768 8.927 ( 4.768 0.000 0.000) 4.768 9.364 ( -6.725 0.000 0.000) 6.725 9.364 ( 6.725 0.000 0.000) 6.725 9.394 ( -5.939 0.000 0.000) 5.939 9.394 ( 5.939 0.000 0.000) 5.939 9.931 ( -8.660 0.000 0.000) 8.660 9.931 ( 8.660 0.000 0.000) 8.660 9.976 ( -17.113 0.000 0.000) 17.113 9.976 ( 17.113 0.000 0.000) 17.113 10.782 ( -9.681 0.000 0.000) 9.681 10.782 ( 9.681 0.000 0.000) 9.681 11.809 ( -1.974 0.000 0.000) 1.974 11.809 ( 1.974 0.000 0.000) 1.974 12.162 ( -2.875 0.000 0.000) 2.875 12.162 ( 2.875 0.000 0.000) 2.875 12.272 ( -9.700 0.000 0.000) 9.700 12.272 ( 9.700 0.000 0.000) 9.700 12.454 ( -9.930 0.000 0.000) 9.930 12.454 ( 9.930 0.000 0.000) 9.930 12.786 ( -1.158 0.000 0.000) 1.158 12.786 ( 1.158 0.000 0.000) 1.158 12.866 ( -1.487 0.000 0.000) 1.487 12.866 ( 1.487 0.000 0.000) 1.487 12.906 ( -2.569 0.000 0.000) 2.569 12.906 ( 2.569 0.000 0.000) 2.569 13.145 ( -1.006 0.000 0.000) 1.006 13.145 ( 1.006 0.000 0.000) 1.006 13.372 ( -4.090 0.000 0.000) 4.090 13.372 ( 4.090 0.000 0.000) 4.090 13.656 ( -1.644 0.000 0.000) 1.644 13.656 ( 1.644 0.000 0.000) 1.644 13.909 ( -4.087 0.000 0.000) 4.087 13.909 ( 4.087 0.000 0.000) 4.087 14.207 ( -4.285 0.000 0.000) 4.285 14.207 ( 4.285 0.000 0.000) 4.285 14.539 ( -10.078 0.000 0.000) 10.078 14.539 ( 10.078 0.000 0.000) 10.078 14.565 ( -6.307 0.000 0.000) 6.307 14.565 ( 6.307 0.000 0.000) 6.307 14.914 ( -6.501 0.000 0.000) 6.501 14.914 ( 6.501 0.000 0.000) 6.501 15.011 ( -0.100 0.000 0.000) 0.100 15.011 ( 0.100 0.000 0.000) 0.100 15.245 ( -3.110 0.000 0.000) 3.110 15.245 ( 3.110 0.000 0.000) 3.110 15.345 ( -5.501 0.000 0.000) 5.501 15.345 ( 5.501 0.000 0.000) 5.501 15.676 ( -1.356 0.000 0.000) 1.356 15.676 ( 1.356 0.000 0.000) 1.356 16.385 ( -0.589 0.000 0.000) 0.589 16.385 ( 0.589 0.000 0.000) 0.589 18.647 ( -1.742 0.000 0.000) 1.742 18.647 ( 1.742 0.000 0.000) 1.742 19.589 ( -6.234 0.000 0.000) 6.234 19.589 ( 6.234 0.000 0.000) 6.234 20.296 ( -0.266 0.000 0.000) 0.266 20.296 ( 0.266 0.000 0.000) 0.266 21.026 ( -6.496 0.000 0.000) 6.496 21.026 ( 6.496 0.000 0.000) 6.496 21.383 ( -0.827 0.000 0.000) 0.827 21.383 ( 0.827 0.000 0.000) 0.827 21.408 ( -0.179 0.000 0.000) 0.179 21.408 ( 0.179 0.000 0.000) 0.179 21.483 ( -1.536 0.000 0.000) 1.536 21.483 ( 1.536 0.000 0.000) 1.536 21.776 ( -1.194 0.000 0.000) 1.194 21.776 ( 1.194 0.000 0.000) 1.194 21.991 ( -0.959 0.000 0.000) 0.959 21.991 ( 0.959 0.000 0.000) 0.959 22.180 ( -0.484 0.000 0.000) 0.484 22.180 ( 0.484 0.000 0.000) 0.484 22.328 ( -2.807 0.000 0.000) 2.807 22.328 ( 2.807 0.000 0.000) 2.807 22.507 ( -0.582 0.000 0.000) 0.582 22.507 ( 0.582 0.000 0.000) 0.582 23.843 ( -3.812 0.000 0.000) 3.812 23.843 ( 3.812 0.000 0.000) 3.812 24.130 ( -2.432 0.000 0.000) 2.432 24.130 ( 2.432 0.000 0.000) 2.432 24.405 ( -1.370 0.000 0.000) 1.370 24.405 ( 1.370 0.000 0.000) 1.370 24.521 ( -1.291 0.000 0.000) 1.291 24.521 ( 1.291 0.000 0.000) 1.291 24.756 ( -0.728 0.000 0.000) 0.728 24.756 ( 0.728 0.000 0.000) 0.728 24.805 ( -1.685 0.000 0.000) 1.685 24.805 ( 1.685 0.000 0.000) 1.685 25.369 ( -2.724 0.000 0.000) 2.724 25.369 ( 2.724 0.000 0.000) 2.724 25.509 ( -1.041 0.000 0.000) 1.041 25.509 ( 1.041 0.000 0.000) 1.041 ======================= Grid point 5 (4/36) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 26.411 0.000) 26.411 0.633 ( 0.000 27.400 0.000) 27.400 1.108 ( 0.000 46.087 0.000) 46.087 1.266 ( 0.000 12.906 0.000) 12.906 1.324 ( 0.000 4.621 0.000) 4.621 1.494 ( 0.000 1.142 0.000) 1.142 1.599 ( 0.000 -0.313 0.000) 0.313 1.726 ( 0.000 -2.794 0.000) 2.794 1.765 ( 0.000 7.566 0.000) 7.566 1.785 ( 0.000 3.012 0.000) 3.012 1.859 ( 0.000 4.460 0.000) 4.460 1.892 ( 0.000 3.807 0.000) 3.807 1.912 ( 0.000 -1.246 0.000) 1.246 1.951 ( 0.000 6.813 0.000) 6.813 2.008 ( 0.000 -1.332 0.000) 1.332 2.094 ( 0.000 -6.071 0.000) 6.071 2.204 ( 0.000 2.180 0.000) 2.180 2.222 ( 0.000 -0.045 0.000) 0.045 2.239 ( 0.000 1.438 0.000) 1.438 2.337 ( 0.000 1.001 0.000) 1.001 2.360 ( 0.000 2.689 0.000) 2.689 2.407 ( 0.000 -6.365 0.000) 6.365 2.507 ( 0.000 -1.947 0.000) 1.947 2.598 ( 0.000 -0.538 0.000) 0.538 2.651 ( 0.000 -5.484 0.000) 5.484 2.694 ( 0.000 -5.645 0.000) 5.645 2.710 ( 0.000 7.799 0.000) 7.799 2.988 ( 0.000 10.535 0.000) 10.535 3.034 ( 0.000 -5.286 0.000) 5.286 3.057 ( 0.000 11.274 0.000) 11.274 3.322 ( 0.000 8.531 0.000) 8.531 3.348 ( 0.000 -0.658 0.000) 0.658 3.393 ( 0.000 -3.092 0.000) 3.092 3.498 ( 0.000 -3.174 0.000) 3.174 3.552 ( 0.000 -2.914 0.000) 2.914 3.581 ( 0.000 -9.045 0.000) 9.045 3.582 ( 0.000 1.638 0.000) 1.638 3.722 ( 0.000 -3.589 0.000) 3.589 3.748 ( 0.000 -5.736 0.000) 5.736 3.818 ( 0.000 -11.275 0.000) 11.275 3.950 ( 0.000 -2.150 0.000) 2.150 4.001 ( 0.000 -2.909 0.000) 2.909 4.115 ( 0.000 2.631 0.000) 2.631 4.119 ( 0.000 2.276 0.000) 2.276 4.366 ( 0.000 -4.974 0.000) 4.974 4.403 ( 0.000 1.430 0.000) 1.430 4.529 ( 0.000 5.849 0.000) 5.849 4.699 ( 0.000 4.521 0.000) 4.521 4.708 ( 0.000 -12.989 0.000) 12.989 4.851 ( 0.000 3.820 0.000) 3.820 4.860 ( 0.000 16.639 0.000) 16.639 4.977 ( 0.000 0.125 0.000) 0.125 5.004 ( 0.000 4.243 0.000) 4.243 5.083 ( 0.000 -0.430 0.000) 0.430 5.176 ( 0.000 1.376 0.000) 1.376 5.244 ( 0.000 -3.693 0.000) 3.693 5.270 ( 0.000 -2.949 0.000) 2.949 5.367 ( 0.000 1.223 0.000) 1.223 5.378 ( 0.000 -5.567 0.000) 5.567 5.437 ( 0.000 0.535 0.000) 0.535 5.500 ( 0.000 4.503 0.000) 4.503 5.585 ( 0.000 1.336 0.000) 1.336 5.619 ( 0.000 -2.920 0.000) 2.920 5.645 ( 0.000 1.480 0.000) 1.480 5.781 ( 0.000 2.304 0.000) 2.304 5.798 ( 0.000 -4.010 0.000) 4.010 5.820 ( 0.000 4.779 0.000) 4.779 5.909 ( 0.000 -3.964 0.000) 3.964 5.915 ( 0.000 7.582 0.000) 7.582 5.986 ( 0.000 2.159 0.000) 2.159 6.075 ( 0.000 -1.003 0.000) 1.003 6.081 ( 0.000 -2.850 0.000) 2.850 6.146 ( 0.000 7.893 0.000) 7.893 6.290 ( 0.000 3.585 0.000) 3.585 6.321 ( 0.000 4.273 0.000) 4.273 6.520 ( 0.000 -3.595 0.000) 3.595 6.547 ( 0.000 -2.971 0.000) 2.971 6.612 ( 0.000 4.164 0.000) 4.164 6.719 ( 0.000 -3.415 0.000) 3.415 6.865 ( 0.000 -3.556 0.000) 3.556 6.914 ( 0.000 11.645 0.000) 11.645 7.021 ( 0.000 -8.730 0.000) 8.730 7.228 ( 0.000 3.274 0.000) 3.274 7.358 ( 0.000 2.245 0.000) 2.245 7.487 ( 0.000 -10.132 0.000) 10.132 7.584 ( 0.000 2.274 0.000) 2.274 7.659 ( 0.000 2.662 0.000) 2.662 7.664 ( 0.000 3.140 0.000) 3.140 7.688 ( 0.000 1.204 0.000) 1.204 7.953 ( 0.000 2.777 0.000) 2.777 7.989 ( 0.000 -2.939 0.000) 2.939 8.003 ( 0.000 13.470 0.000) 13.470 8.010 ( 0.000 -5.749 0.000) 5.749 8.132 ( 0.000 2.387 0.000) 2.387 8.486 ( 0.000 -1.326 0.000) 1.326 8.574 ( 0.000 7.207 0.000) 7.207 8.821 ( 0.000 -5.858 0.000) 5.858 8.844 ( 0.000 0.586 0.000) 0.586 8.876 ( 0.000 -1.925 0.000) 1.925 8.937 ( 0.000 0.041 0.000) 0.041 8.998 ( 0.000 -1.331 0.000) 1.331 9.107 ( 0.000 5.592 0.000) 5.592 9.212 ( 0.000 6.714 0.000) 6.714 9.219 ( 0.000 -4.435 0.000) 4.435 9.452 ( 0.000 -2.406 0.000) 2.406 9.494 ( 0.000 -1.976 0.000) 1.976 9.581 ( 0.000 1.833 0.000) 1.833 9.610 ( 0.000 -7.621 0.000) 7.621 10.042 ( 0.000 -11.487 0.000) 11.487 10.347 ( 0.000 -10.609 0.000) 10.609 10.427 ( 0.000 2.653 0.000) 2.653 10.887 ( 0.000 -7.802 0.000) 7.802 11.756 ( 0.000 -0.183 0.000) 0.183 11.850 ( 0.000 -0.032 0.000) 0.032 11.932 ( 0.000 -2.018 0.000) 2.018 12.177 ( 0.000 -2.266 0.000) 2.266 12.208 ( 0.000 -3.148 0.000) 3.148 12.447 ( 0.000 -8.432 0.000) 8.432 12.488 ( 0.000 -6.402 0.000) 6.402 12.502 ( 0.000 -12.936 0.000) 12.936 12.658 ( 0.000 -5.254 0.000) 5.254 12.741 ( 0.000 -6.646 0.000) 6.646 12.862 ( 0.000 2.586 0.000) 2.586 12.917 ( 0.000 2.619 0.000) 2.619 12.948 ( 0.000 0.443 0.000) 0.443 13.036 ( 0.000 7.340 0.000) 7.340 13.185 ( 0.000 9.591 0.000) 9.591 13.258 ( 0.000 7.402 0.000) 7.402 13.270 ( 0.000 3.633 0.000) 3.633 13.477 ( 0.000 0.303 0.000) 0.303 13.500 ( 0.000 2.713 0.000) 2.713 13.622 ( 0.000 0.275 0.000) 0.275 13.878 ( 0.000 3.079 0.000) 3.079 14.040 ( 0.000 -1.110 0.000) 1.110 14.159 ( 0.000 1.737 0.000) 1.737 14.295 ( 0.000 0.270 0.000) 0.270 14.315 ( 0.000 -0.325 0.000) 0.325 14.349 ( 0.000 3.429 0.000) 3.429 14.555 ( 0.000 -4.228 0.000) 4.228 14.581 ( 0.000 -12.383 0.000) 12.383 14.684 ( 0.000 -3.923 0.000) 3.923 14.759 ( 0.000 4.884 0.000) 4.884 15.024 ( 0.000 -3.271 0.000) 3.271 15.150 ( 0.000 2.135 0.000) 2.135 15.176 ( 0.000 2.891 0.000) 2.891 15.211 ( 0.000 -6.529 0.000) 6.529 15.342 ( 0.000 16.250 0.000) 16.250 15.532 ( 0.000 6.599 0.000) 6.599 15.813 ( 0.000 7.338 0.000) 7.338 16.008 ( 0.000 0.390 0.000) 0.390 16.218 ( 0.000 -1.131 0.000) 1.131 16.369 ( 0.000 -2.899 0.000) 2.899 18.656 ( 0.000 4.432 0.000) 4.432 18.736 ( 0.000 4.724 0.000) 4.724 19.396 ( 0.000 -4.657 0.000) 4.657 19.753 ( 0.000 -7.554 0.000) 7.554 20.287 ( 0.000 -0.674 0.000) 0.674 20.334 ( 0.000 2.367 0.000) 2.367 20.801 ( 0.000 -5.409 0.000) 5.409 20.999 ( 0.000 -4.115 0.000) 4.115 21.094 ( 0.000 -8.547 0.000) 8.547 21.356 ( 0.000 -0.922 0.000) 0.922 21.373 ( 0.000 -3.898 0.000) 3.898 21.426 ( 0.000 3.102 0.000) 3.102 21.497 ( 0.000 -1.710 0.000) 1.710 21.564 ( 0.000 1.980 0.000) 1.980 21.792 ( 0.000 -2.735 0.000) 2.735 21.847 ( 0.000 -2.179 0.000) 2.179 21.996 ( 0.000 2.246 0.000) 2.246 22.088 ( 0.000 1.028 0.000) 1.028 22.161 ( 0.000 -1.015 0.000) 1.015 22.204 ( 0.000 -0.465 0.000) 0.465 22.311 ( 0.000 4.461 0.000) 4.461 22.360 ( 0.000 0.713 0.000) 0.713 22.481 ( 0.000 -2.377 0.000) 2.377 22.523 ( 0.000 2.276 0.000) 2.276 23.866 ( 0.000 7.386 0.000) 7.386 23.936 ( 0.000 -2.293 0.000) 2.293 24.099 ( 0.000 -6.070 0.000) 6.070 24.103 ( 0.000 3.888 0.000) 3.888 24.292 ( 0.000 -2.114 0.000) 2.114 24.416 ( 0.000 -0.275 0.000) 0.275 24.527 ( 0.000 1.380 0.000) 1.380 24.668 ( 0.000 1.057 0.000) 1.057 24.680 ( 0.000 -0.452 0.000) 0.452 24.756 ( 0.000 -2.241 0.000) 2.241 24.784 ( 0.000 -0.437 0.000) 0.437 24.844 ( 0.000 -1.772 0.000) 1.772 25.336 ( 0.000 2.030 0.000) 2.030 25.467 ( 0.000 1.816 0.000) 1.816 25.518 ( 0.000 3.136 0.000) 3.136 25.553 ( 0.000 1.854 0.000) 1.854 ======================= Grid point 6 (5/36) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 17.123 18.822 0.000) 25.445 0.860 ( 22.780 16.524 0.000) 28.142 1.205 ( 5.778 17.217 0.000) 18.160 1.282 ( -0.088 10.034 0.000) 10.034 1.437 ( 7.343 16.350 0.000) 17.923 1.504 ( 3.556 2.618 0.000) 4.416 1.578 ( -1.878 -0.947 0.000) 2.103 1.721 ( -8.168 2.853 0.000) 8.652 1.765 ( 1.500 5.073 0.000) 5.290 1.793 ( 3.818 2.810 0.000) 4.740 1.849 ( -3.040 0.378 0.000) 3.064 1.866 ( -0.462 4.520 0.000) 4.544 1.902 ( -2.830 6.004 0.000) 6.637 1.971 ( 2.915 -2.171 0.000) 3.635 1.983 ( 5.646 5.675 0.000) 8.005 2.122 ( 0.276 -2.431 0.000) 2.447 2.212 ( 0.601 1.498 0.000) 1.614 2.239 ( 1.814 -0.725 0.000) 1.953 2.285 ( 1.674 1.087 0.000) 1.996 2.333 ( 3.829 -0.027 0.000) 3.829 2.348 ( 2.387 4.343 0.000) 4.956 2.423 ( -2.715 1.895 0.000) 3.311 2.482 ( -2.168 -0.003 0.000) 2.168 2.563 ( -2.863 1.164 0.000) 3.091 2.645 ( 1.655 -2.778 0.000) 3.234 2.750 ( 3.830 -3.608 0.000) 5.262 2.765 ( 4.362 -0.539 0.000) 4.395 2.859 ( -7.536 3.853 0.000) 8.464 2.972 ( -3.812 7.419 0.000) 8.341 3.230 ( 5.130 -2.892 0.000) 5.889 3.251 ( -0.163 10.031 0.000) 10.032 3.325 ( -3.089 -4.680 0.000) 5.608 3.336 ( -7.988 3.256 0.000) 8.626 3.495 ( 0.112 -8.099 0.000) 8.100 3.538 ( -2.615 -11.098 0.000) 11.402 3.575 ( 0.694 0.978 0.000) 1.199 3.621 ( -1.968 0.130 0.000) 1.972 3.699 ( 1.743 -2.247 0.000) 2.844 3.750 ( -0.611 -6.233 0.000) 6.263 3.858 ( 5.150 -4.635 0.000) 6.929 3.947 ( -7.502 3.708 0.000) 8.368 3.996 ( 4.547 -4.508 0.000) 6.403 4.115 ( 7.961 -2.698 0.000) 8.406 4.178 ( 1.566 2.014 0.000) 2.551 4.308 ( -9.692 -1.793 0.000) 9.856 4.376 ( 0.948 -3.685 0.000) 3.805 4.493 ( -5.921 7.728 0.000) 9.736 4.595 ( 0.110 -0.833 0.000) 0.840 4.722 ( 0.463 -12.476 0.000) 12.485 4.798 ( -9.163 8.814 0.000) 12.714 4.867 ( -7.909 0.449 0.000) 7.921 4.907 ( -1.538 3.506 0.000) 3.828 5.017 ( 4.238 1.728 0.000) 4.577 5.133 ( 0.661 0.442 0.000) 0.795 5.146 ( -2.110 1.891 0.000) 2.833 5.215 ( 3.045 0.546 0.000) 3.094 5.279 ( 0.120 -3.102 0.000) 3.104 5.359 ( -0.500 -1.337 0.000) 1.428 5.369 ( -0.759 0.919 0.000) 1.192 5.496 ( -0.442 4.951 0.000) 4.971 5.508 ( 4.537 4.103 0.000) 6.117 5.557 ( -2.442 1.768 0.000) 3.015 5.631 ( -1.061 0.340 0.000) 1.115 5.641 ( 1.723 -2.109 0.000) 2.723 5.710 ( -3.550 1.568 0.000) 3.881 5.740 ( -5.003 3.195 0.000) 5.936 5.839 ( -1.071 4.966 0.000) 5.080 5.853 ( 2.054 0.732 0.000) 2.181 5.960 ( -1.147 -0.376 0.000) 1.207 6.018 ( -4.418 1.392 0.000) 4.632 6.096 ( 9.159 -1.950 0.000) 9.364 6.175 ( 5.983 1.894 0.000) 6.276 6.218 ( 4.682 -0.127 0.000) 4.683 6.326 ( 2.604 -4.259 0.000) 4.992 6.404 ( 5.181 3.901 0.000) 6.485 6.496 ( 0.980 -3.256 0.000) 3.400 6.582 ( -1.010 4.335 0.000) 4.451 6.681 ( 8.771 -1.289 0.000) 8.866 6.752 ( 1.112 -1.227 0.000) 1.656 6.832 ( -3.659 -1.679 0.000) 4.025 6.916 ( 0.755 8.474 0.000) 8.507 7.015 ( -1.637 -7.258 0.000) 7.440 7.134 ( -10.646 -2.444 0.000) 10.923 7.181 ( -4.770 2.427 0.000) 5.352 7.537 ( -2.211 -1.259 0.000) 2.545 7.576 ( -1.068 3.740 0.000) 3.890 7.585 ( -6.323 3.990 0.000) 7.477 7.613 ( -3.696 0.280 0.000) 3.707 7.726 ( 5.488 1.119 0.000) 5.601 7.843 ( -3.220 4.415 0.000) 5.464 7.994 ( 2.405 -7.098 0.000) 7.495 8.043 ( 3.270 -1.555 0.000) 3.621 8.205 ( 8.931 2.297 0.000) 9.222 8.275 ( 12.735 8.505 0.000) 15.314 8.437 ( -2.914 8.568 0.000) 9.050 8.591 ( -2.059 -0.749 0.000) 2.191 8.654 ( -7.884 1.795 0.000) 8.086 8.787 ( -4.979 -1.596 0.000) 5.229 8.845 ( -1.535 -0.831 0.000) 1.746 8.925 ( -2.556 -0.306 0.000) 2.574 9.038 ( -1.972 4.305 0.000) 4.736 9.107 ( -2.907 2.629 0.000) 3.920 9.196 ( 5.253 -0.929 0.000) 5.334 9.278 ( 5.042 0.667 0.000) 5.086 9.417 ( -4.086 -3.287 0.000) 5.244 9.469 ( -2.941 -1.240 0.000) 3.192 9.639 ( 7.726 -5.019 0.000) 9.213 9.747 ( 12.139 -0.986 0.000) 12.179 9.950 ( -7.776 -10.624 0.000) 13.165 10.266 ( -9.985 -2.802 0.000) 10.371 10.519 ( 9.332 -4.724 0.000) 10.459 10.839 ( -5.119 -7.568 0.000) 9.137 11.773 ( 1.646 -0.058 0.000) 1.647 11.838 ( -1.206 -0.112 0.000) 1.211 11.999 ( 6.212 -2.780 0.000) 6.806 12.173 ( -1.542 -1.400 0.000) 2.083 12.224 ( 0.681 -3.310 0.000) 3.380 12.286 ( -3.335 -1.488 0.000) 3.651 12.441 ( -4.867 -5.446 0.000) 7.304 12.463 ( -4.680 -11.987 0.000) 12.868 12.668 ( 1.552 -4.420 0.000) 4.685 12.749 ( 0.683 -5.841 0.000) 5.881 12.807 ( -2.845 1.844 0.000) 3.390 12.841 ( -7.115 0.880 0.000) 7.169 12.996 ( 3.803 5.295 0.000) 6.519 13.083 ( 0.772 6.395 0.000) 6.441 13.201 ( 2.236 8.304 0.000) 8.600 13.256 ( -0.291 7.048 0.000) 7.054 13.307 ( 2.621 1.184 0.000) 2.876 13.442 ( -2.961 0.346 0.000) 2.982 13.613 ( 5.014 -2.195 0.000) 5.474 13.635 ( 1.081 0.382 0.000) 1.147 13.890 ( 0.408 1.906 0.000) 1.950 13.997 ( -3.835 0.131 0.000) 3.837 14.168 ( 1.830 1.467 0.000) 2.346 14.281 ( 2.704 -2.748 0.000) 3.855 14.323 ( -1.384 1.183 0.000) 1.821 14.442 ( 8.277 0.944 0.000) 8.330 14.538 ( -4.280 -11.968 0.000) 12.710 14.681 ( 0.541 0.842 0.000) 1.001 14.740 ( 4.455 -3.432 0.000) 5.623 14.773 ( 8.377 -7.031 0.000) 10.937 14.962 ( -5.612 -2.768 0.000) 6.257 15.102 ( -6.334 -2.094 0.000) 6.671 15.171 ( 1.607 2.082 0.000) 2.630 15.218 ( 0.155 -2.172 0.000) 2.177 15.397 ( 4.419 13.518 0.000) 14.222 15.520 ( -1.454 7.460 0.000) 7.601 15.813 ( 0.070 7.763 0.000) 7.764 15.895 ( -6.152 8.431 0.000) 10.437 16.299 ( 4.000 -4.546 0.000) 6.055 16.364 ( -0.592 -2.980 0.000) 3.039 18.667 ( 1.185 4.438 0.000) 4.594 18.725 ( -1.211 4.556 0.000) 4.714 19.435 ( 4.025 -4.747 0.000) 6.224 19.664 ( -7.032 -4.956 0.000) 8.603 20.289 ( 0.405 -0.228 0.000) 0.465 20.321 ( -1.044 1.631 0.000) 1.937 20.854 ( 5.030 -5.955 0.000) 7.795 21.022 ( -1.271 -8.628 0.000) 8.721 21.141 ( 5.386 -8.465 0.000) 10.033 21.328 ( -3.220 -2.159 0.000) 3.877 21.377 ( 0.375 -3.491 0.000) 3.511 21.403 ( -1.396 -0.370 0.000) 1.445 21.515 ( 1.224 1.098 0.000) 1.644 21.555 ( -0.882 2.654 0.000) 2.797 21.781 ( -0.737 -1.812 0.000) 1.956 21.811 ( -2.299 0.139 0.000) 2.304 22.013 ( 1.222 2.229 0.000) 2.542 22.071 ( -1.744 2.177 0.000) 2.790 22.167 ( 0.534 -0.745 0.000) 0.916 22.185 ( -0.945 0.565 0.000) 1.101 22.318 ( 0.974 3.261 0.000) 3.403 22.362 ( -0.429 -0.083 0.000) 0.437 22.482 ( 0.113 -1.835 0.000) 1.839 22.502 ( -1.266 1.620 0.000) 2.056 23.891 ( 2.142 7.862 0.000) 8.149 23.979 ( 2.625 -5.305 0.000) 5.919 24.046 ( -3.606 6.464 0.000) 7.402 24.092 ( -0.961 -5.303 0.000) 5.389 24.319 ( 2.658 -2.125 0.000) 3.403 24.416 ( -0.697 -0.954 0.000) 1.182 24.534 ( 0.607 1.840 0.000) 1.938 24.623 ( -3.637 2.151 0.000) 4.226 24.693 ( 1.833 -0.774 0.000) 1.990 24.761 ( -0.000 -0.889 0.000) 0.889 24.790 ( 0.695 -0.700 0.000) 0.986 24.829 ( -1.266 -1.557 0.000) 2.007 25.351 ( 1.627 2.216 0.000) 2.750 25.445 ( -2.312 2.200 0.000) 3.191 25.514 ( 0.287 2.568 0.000) 2.584 25.546 ( -0.759 1.807 0.000) 1.960 ======================= Grid point 7 (6/36) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( -11.686 8.078 0.000) 14.206 1.132 ( 11.686 8.078 0.000) 14.206 1.186 ( -9.394 16.402 0.000) 18.902 1.186 ( 9.394 16.402 0.000) 18.902 1.498 ( -5.272 -0.139 0.000) 5.274 1.498 ( 5.272 -0.139 0.000) 5.274 1.594 ( -0.401 0.598 0.000) 0.720 1.594 ( 0.401 0.598 0.000) 0.720 1.811 ( -0.293 2.821 0.000) 2.836 1.811 ( 0.293 2.821 0.000) 2.836 1.858 ( -0.358 4.000 0.000) 4.016 1.858 ( 0.358 4.000 0.000) 4.016 1.934 ( -4.947 5.545 0.000) 7.431 1.934 ( 4.947 5.545 0.000) 7.431 2.136 ( -5.693 8.638 0.000) 10.345 2.136 ( 5.693 8.638 0.000) 10.345 2.217 ( -1.832 -1.034 0.000) 2.104 2.217 ( 1.832 -1.034 0.000) 2.104 2.304 ( -3.646 3.891 0.000) 5.333 2.304 ( 3.646 3.891 0.000) 5.333 2.419 ( -0.828 0.673 0.000) 1.067 2.419 ( 0.828 0.673 0.000) 1.067 2.541 ( -3.352 1.362 0.000) 3.618 2.541 ( 3.352 1.362 0.000) 3.618 2.692 ( -1.142 2.389 0.000) 2.648 2.692 ( 1.142 2.389 0.000) 2.648 2.799 ( -0.653 1.176 0.000) 1.345 2.799 ( 0.653 1.176 0.000) 1.345 3.030 ( -14.177 3.063 0.000) 14.504 3.030 ( 14.177 3.063 0.000) 14.504 3.289 ( -1.139 -0.634 0.000) 1.303 3.289 ( 1.139 -0.634 0.000) 1.303 3.383 ( -8.957 -7.726 0.000) 11.829 3.383 ( 8.957 -7.726 0.000) 11.829 3.545 ( -1.529 -4.522 0.000) 4.773 3.545 ( 1.529 -4.522 0.000) 4.773 3.679 ( -2.961 -0.373 0.000) 2.985 3.679 ( 2.961 -0.373 0.000) 2.985 3.790 ( -3.037 -3.507 0.000) 4.639 3.790 ( 3.037 -3.507 0.000) 4.639 4.023 ( -2.254 0.767 0.000) 2.381 4.023 ( 2.254 0.767 0.000) 2.381 4.149 ( -3.042 -2.421 0.000) 3.888 4.149 ( 3.042 -2.421 0.000) 3.888 4.312 ( -8.240 -0.236 0.000) 8.243 4.312 ( 8.240 -0.236 0.000) 8.243 4.533 ( -11.870 0.273 0.000) 11.873 4.533 ( 11.870 0.273 0.000) 11.873 4.716 ( -2.420 -2.402 0.000) 3.409 4.716 ( 2.420 -2.402 0.000) 3.409 4.802 ( -3.410 -2.206 0.000) 4.061 4.802 ( 3.410 -2.206 0.000) 4.061 5.092 ( -1.004 -1.176 0.000) 1.546 5.092 ( 1.004 -1.176 0.000) 1.546 5.201 ( -4.621 3.158 0.000) 5.597 5.201 ( 4.621 3.158 0.000) 5.597 5.317 ( -0.723 -0.035 0.000) 0.724 5.317 ( 0.723 -0.035 0.000) 0.724 5.429 ( -1.344 4.869 0.000) 5.051 5.429 ( 1.344 4.869 0.000) 5.051 5.576 ( -1.612 3.054 0.000) 3.454 5.576 ( 1.612 3.054 0.000) 3.454 5.602 ( -3.824 2.306 0.000) 4.465 5.602 ( 3.824 2.306 0.000) 4.465 5.692 ( -0.322 1.996 0.000) 2.022 5.692 ( 0.322 1.996 0.000) 2.022 5.850 ( -1.308 3.569 0.000) 3.801 5.850 ( 1.308 3.569 0.000) 3.801 5.965 ( -0.194 -1.040 0.000) 1.058 5.965 ( 0.194 -1.040 0.000) 1.058 6.204 ( -0.592 -4.426 0.000) 4.465 6.204 ( 0.592 -4.426 0.000) 4.465 6.307 ( -2.893 -1.007 0.000) 3.064 6.307 ( 2.893 -1.007 0.000) 3.064 6.510 ( -2.753 5.116 0.000) 5.810 6.510 ( 2.753 5.116 0.000) 5.810 6.621 ( -9.047 0.836 0.000) 9.086 6.621 ( 9.047 0.836 0.000) 9.086 6.804 ( -1.000 2.765 0.000) 2.940 6.804 ( 1.000 2.765 0.000) 2.940 6.959 ( -1.135 -4.220 0.000) 4.370 6.959 ( 1.135 -4.220 0.000) 4.370 7.087 ( -0.872 -1.683 0.000) 1.895 7.087 ( 0.872 -1.683 0.000) 1.895 7.506 ( -0.101 3.186 0.000) 3.188 7.506 ( 0.101 3.186 0.000) 3.188 7.572 ( -0.081 0.825 0.000) 0.829 7.572 ( 0.081 0.825 0.000) 0.829 7.804 ( -0.333 1.303 0.000) 1.345 7.804 ( 0.333 1.303 0.000) 1.345 8.057 ( -0.307 -3.201 0.000) 3.215 8.057 ( 0.307 -3.201 0.000) 3.215 8.366 ( -7.555 3.061 0.000) 8.152 8.366 ( 7.555 3.061 0.000) 8.152 8.436 ( -0.985 5.985 0.000) 6.066 8.436 ( 0.985 5.985 0.000) 6.066 8.699 ( -3.267 1.855 0.000) 3.757 8.699 ( 3.267 1.855 0.000) 3.757 8.855 ( -0.561 -1.920 0.000) 2.000 8.855 ( 0.561 -1.920 0.000) 2.000 9.031 ( -0.257 5.566 0.000) 5.572 9.031 ( 0.257 5.566 0.000) 5.572 9.318 ( -3.888 -3.894 0.000) 5.503 9.318 ( 3.888 -3.894 0.000) 5.503 9.389 ( -5.000 -0.240 0.000) 5.006 9.389 ( 5.000 -0.240 0.000) 5.006 9.795 ( -3.673 -9.047 0.000) 9.764 9.795 ( 3.673 -9.047 0.000) 9.764 10.018 ( -9.413 0.310 0.000) 9.418 10.018 ( 9.413 0.310 0.000) 9.418 10.702 ( -6.953 -6.847 0.000) 9.759 10.702 ( 6.953 -6.847 0.000) 9.759 11.808 ( -0.385 -0.001 0.000) 0.385 11.808 ( 0.385 -0.001 0.000) 0.385 12.105 ( -1.093 -3.192 0.000) 3.374 12.105 ( 1.093 -3.192 0.000) 3.374 12.296 ( -3.330 -2.797 0.000) 4.349 12.296 ( 3.330 -2.797 0.000) 4.349 12.362 ( -1.449 -7.077 0.000) 7.224 12.362 ( 1.449 -7.077 0.000) 7.224 12.724 ( -4.324 -2.753 0.000) 5.126 12.724 ( 4.324 -2.753 0.000) 5.126 12.769 ( -0.203 -2.539 0.000) 2.547 12.769 ( 0.203 -2.539 0.000) 2.547 13.057 ( -2.482 7.625 0.000) 8.019 13.057 ( 2.482 7.625 0.000) 8.019 13.241 ( -0.272 6.609 0.000) 6.614 13.241 ( 0.272 6.609 0.000) 6.614 13.373 ( -2.070 0.751 0.000) 2.202 13.373 ( 2.070 0.751 0.000) 2.202 13.650 ( -0.004 -0.279 0.000) 0.279 13.650 ( 0.004 -0.279 0.000) 0.279 13.923 ( -2.237 1.172 0.000) 2.525 13.923 ( 2.237 1.172 0.000) 2.525 14.229 ( -2.864 2.180 0.000) 3.599 14.229 ( 2.864 2.180 0.000) 3.599 14.423 ( -4.662 -9.043 0.000) 10.174 14.423 ( 4.662 -9.043 0.000) 10.174 14.594 ( -6.970 2.421 0.000) 7.379 14.594 ( 6.970 2.421 0.000) 7.379 14.846 ( -4.673 -3.700 0.000) 5.960 14.846 ( 4.673 -3.700 0.000) 5.960 14.957 ( -5.924 -6.343 0.000) 8.679 14.957 ( 5.924 -6.343 0.000) 8.679 15.204 ( -0.295 0.262 0.000) 0.394 15.204 ( 0.295 0.262 0.000) 0.394 15.474 ( -2.139 10.215 0.000) 10.436 15.474 ( 2.139 10.215 0.000) 10.436 15.826 ( -0.178 8.905 0.000) 8.907 15.826 ( 0.178 8.905 0.000) 8.907 16.345 ( -0.257 -3.485 0.000) 3.495 16.345 ( 0.257 -3.485 0.000) 3.495 18.696 ( -0.739 4.478 0.000) 4.539 18.696 ( 0.739 4.478 0.000) 4.539 19.536 ( -3.881 -4.842 0.000) 6.206 19.536 ( 3.881 -4.842 0.000) 6.206 20.302 ( -0.059 0.517 0.000) 0.520 20.302 ( 0.059 0.517 0.000) 0.520 20.956 ( -1.166 -7.559 0.000) 7.648 20.956 ( 1.166 -7.559 0.000) 7.648 21.244 ( -0.738 -6.067 0.000) 6.112 21.244 ( 0.738 -6.067 0.000) 6.112 21.386 ( -0.034 -2.555 0.000) 2.555 21.386 ( 0.034 -2.555 0.000) 2.555 21.536 ( -0.246 2.830 0.000) 2.841 21.536 ( 0.246 2.830 0.000) 2.841 21.781 ( -0.624 -0.297 0.000) 0.691 21.781 ( 0.624 -0.297 0.000) 0.691 22.038 ( -0.886 2.966 0.000) 3.096 22.038 ( 0.886 2.966 0.000) 3.096 22.175 ( -0.022 -0.375 0.000) 0.375 22.175 ( 0.022 -0.375 0.000) 0.375 22.343 ( -0.231 1.104 0.000) 1.127 22.343 ( 0.231 1.104 0.000) 1.127 22.487 ( -0.085 -0.371 0.000) 0.381 22.487 ( 0.085 -0.371 0.000) 0.381 23.945 ( -0.474 6.036 0.000) 6.055 23.945 ( 0.474 6.036 0.000) 6.055 24.060 ( -0.514 -3.844 0.000) 3.878 24.060 ( 0.514 -3.844 0.000) 3.878 24.378 ( -0.409 -1.949 0.000) 1.992 24.378 ( 0.409 -1.949 0.000) 1.992 24.562 ( -0.961 2.908 0.000) 3.062 24.562 ( 0.961 2.908 0.000) 3.062 24.738 ( -0.459 -1.186 0.000) 1.271 24.738 ( 0.459 -1.186 0.000) 1.271 24.807 ( -0.334 -1.043 0.000) 1.095 24.807 ( 0.334 -1.043 0.000) 1.095 25.394 ( -1.429 2.328 0.000) 2.731 25.394 ( 1.429 2.328 0.000) 2.731 25.528 ( -0.398 1.883 0.000) 1.925 25.528 ( 0.398 1.883 0.000) 1.925 ======================= Grid point 10 (7/36) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 0.000 21.243 0.000) 21.243 1.087 ( 0.000 13.949 0.000) 13.949 1.376 ( 0.000 2.139 0.000) 2.139 1.415 ( 0.000 2.912 0.000) 2.912 1.541 ( 0.000 5.621 0.000) 5.621 1.584 ( 0.000 -0.525 0.000) 0.525 1.677 ( 0.000 2.357 0.000) 2.357 1.821 ( 0.000 -1.572 0.000) 1.572 1.828 ( 0.000 9.665 0.000) 9.665 1.887 ( 0.000 4.227 0.000) 4.227 1.903 ( 0.000 9.806 0.000) 9.806 1.937 ( 0.000 -5.816 0.000) 5.816 1.977 ( 0.000 -2.156 0.000) 2.156 1.988 ( 0.000 1.310 0.000) 1.310 1.988 ( 0.000 5.002 0.000) 5.002 2.100 ( 0.000 0.940 0.000) 0.940 2.182 ( 0.000 -5.911 0.000) 5.911 2.222 ( 0.000 -1.033 0.000) 1.033 2.254 ( 0.000 -0.533 0.000) 0.533 2.329 ( 0.000 -9.842 0.000) 9.842 2.405 ( 0.000 15.832 0.000) 15.832 2.461 ( 0.000 5.804 0.000) 5.804 2.494 ( 0.000 -4.975 0.000) 4.975 2.502 ( 0.000 3.354 0.000) 3.354 2.624 ( 0.000 5.739 0.000) 5.739 2.728 ( 0.000 9.301 0.000) 9.301 2.869 ( 0.000 6.674 0.000) 6.674 2.931 ( 0.000 -13.025 0.000) 13.025 3.118 ( 0.000 1.976 0.000) 1.976 3.179 ( 0.000 -5.034 0.000) 5.034 3.245 ( 0.000 -13.800 0.000) 13.800 3.334 ( 0.000 -4.771 0.000) 4.771 3.356 ( 0.000 -6.570 0.000) 6.570 3.391 ( 0.000 15.109 0.000) 15.109 3.506 ( 0.000 -6.941 0.000) 6.941 3.552 ( 0.000 6.794 0.000) 6.794 3.629 ( 0.000 1.958 0.000) 1.958 3.671 ( 0.000 -4.110 0.000) 4.110 3.760 ( 0.000 11.960 0.000) 11.960 3.845 ( 0.000 5.926 0.000) 5.926 3.887 ( 0.000 3.902 0.000) 3.902 3.925 ( 0.000 -4.479 0.000) 4.479 4.117 ( 0.000 3.010 0.000) 3.010 4.131 ( 0.000 -2.137 0.000) 2.137 4.232 ( 0.000 -12.605 0.000) 12.605 4.476 ( 0.000 5.782 0.000) 5.782 4.482 ( 0.000 1.421 0.000) 1.421 4.729 ( 0.000 9.613 0.000) 9.613 4.832 ( 0.000 7.513 0.000) 7.513 4.904 ( 0.000 -3.148 0.000) 3.148 4.960 ( 0.000 0.451 0.000) 0.451 4.997 ( 0.000 -0.819 0.000) 0.819 5.085 ( 0.000 -11.844 0.000) 11.844 5.128 ( 0.000 3.582 0.000) 3.582 5.179 ( 0.000 1.391 0.000) 1.391 5.223 ( 0.000 -1.516 0.000) 1.516 5.228 ( 0.000 1.791 0.000) 1.791 5.272 ( 0.000 3.299 0.000) 3.299 5.400 ( 0.000 3.194 0.000) 3.194 5.478 ( 0.000 1.510 0.000) 1.510 5.527 ( 0.000 -2.297 0.000) 2.297 5.598 ( 0.000 -4.236 0.000) 4.236 5.675 ( 0.000 4.102 0.000) 4.102 5.680 ( 0.000 9.695 0.000) 9.695 5.725 ( 0.000 -3.883 0.000) 3.883 5.784 ( 0.000 -1.636 0.000) 1.636 5.857 ( 0.000 0.445 0.000) 0.445 5.897 ( 0.000 0.380 0.000) 0.380 5.976 ( 0.000 -1.503 0.000) 1.503 6.009 ( 0.000 -1.898 0.000) 1.898 6.061 ( 0.000 7.720 0.000) 7.720 6.092 ( 0.000 3.272 0.000) 3.272 6.239 ( 0.000 -0.048 0.000) 0.048 6.305 ( 0.000 -3.223 0.000) 3.223 6.397 ( 0.000 -6.272 0.000) 6.272 6.539 ( 0.000 15.020 0.000) 15.020 6.556 ( 0.000 2.460 0.000) 2.460 6.635 ( 0.000 -4.419 0.000) 4.419 6.639 ( 0.000 -6.304 0.000) 6.304 6.851 ( 0.000 -2.744 0.000) 2.744 6.914 ( 0.000 9.717 0.000) 9.717 7.161 ( 0.000 9.587 0.000) 9.587 7.223 ( 0.000 -7.880 0.000) 7.880 7.303 ( 0.000 -4.746 0.000) 4.746 7.443 ( 0.000 5.625 0.000) 5.625 7.606 ( 0.000 0.397 0.000) 0.397 7.727 ( 0.000 0.814 0.000) 0.814 7.751 ( 0.000 2.377 0.000) 2.377 7.795 ( 0.000 9.605 0.000) 9.605 7.820 ( 0.000 -4.625 0.000) 4.625 7.977 ( 0.000 -0.111 0.000) 0.111 8.049 ( 0.000 4.635 0.000) 4.635 8.092 ( 0.000 -1.028 0.000) 1.028 8.304 ( 0.000 7.259 0.000) 7.259 8.448 ( 0.000 -2.168 0.000) 2.168 8.724 ( 0.000 -1.756 0.000) 1.756 8.728 ( 0.000 6.535 0.000) 6.535 8.750 ( 0.000 -6.651 0.000) 6.651 8.914 ( 0.000 -2.149 0.000) 2.149 8.918 ( 0.000 2.735 0.000) 2.735 9.012 ( 0.000 3.008 0.000) 3.008 9.100 ( 0.000 -6.418 0.000) 6.418 9.131 ( 0.000 -4.329 0.000) 4.329 9.353 ( 0.000 5.454 0.000) 5.454 9.381 ( 0.000 -4.765 0.000) 4.765 9.454 ( 0.000 -1.604 0.000) 1.604 9.498 ( 0.000 -0.539 0.000) 0.539 9.597 ( 0.000 -0.114 0.000) 0.114 9.787 ( 0.000 -11.068 0.000) 11.068 10.050 ( 0.000 -16.227 0.000) 16.227 10.454 ( 0.000 0.250 0.000) 0.250 10.687 ( 0.000 -9.746 0.000) 9.746 11.757 ( 0.000 0.401 0.000) 0.401 11.862 ( 0.000 1.370 0.000) 1.370 11.880 ( 0.000 -2.701 0.000) 2.701 12.096 ( 0.000 -4.826 0.000) 4.826 12.105 ( 0.000 -5.705 0.000) 5.705 12.220 ( 0.000 -10.957 0.000) 10.957 12.234 ( 0.000 -10.570 0.000) 10.570 12.340 ( 0.000 -7.677 0.000) 7.677 12.601 ( 0.000 -0.371 0.000) 0.371 12.652 ( 0.000 -2.051 0.000) 2.051 12.916 ( 0.000 1.048 0.000) 1.048 12.942 ( 0.000 0.048 0.000) 0.048 13.015 ( 0.000 6.441 0.000) 6.441 13.172 ( 0.000 5.160 0.000) 5.160 13.360 ( 0.000 6.553 0.000) 6.553 13.372 ( 0.000 5.157 0.000) 5.157 13.405 ( 0.000 6.118 0.000) 6.118 13.493 ( 0.000 1.184 0.000) 1.184 13.559 ( 0.000 2.108 0.000) 2.108 13.613 ( 0.000 -1.200 0.000) 1.200 13.962 ( 0.000 4.446 0.000) 4.446 14.022 ( 0.000 -0.381 0.000) 0.381 14.185 ( 0.000 0.134 0.000) 0.134 14.282 ( 0.000 -6.020 0.000) 6.020 14.308 ( 0.000 1.198 0.000) 1.198 14.362 ( 0.000 -2.451 0.000) 2.451 14.449 ( 0.000 4.208 0.000) 4.208 14.482 ( 0.000 -3.099 0.000) 3.099 14.586 ( 0.000 -5.032 0.000) 5.032 14.869 ( 0.000 5.219 0.000) 5.219 14.893 ( 0.000 -8.255 0.000) 8.255 15.102 ( 0.000 -2.973 0.000) 2.973 15.215 ( 0.000 2.671 0.000) 2.671 15.230 ( 0.000 2.198 0.000) 2.198 15.676 ( 0.000 14.198 0.000) 14.198 15.712 ( 0.000 9.671 0.000) 9.671 15.952 ( 0.000 5.186 0.000) 5.186 16.023 ( 0.000 0.908 0.000) 0.908 16.177 ( 0.000 -2.818 0.000) 2.818 16.274 ( 0.000 -6.042 0.000) 6.042 18.782 ( 0.000 7.141 0.000) 7.141 18.878 ( 0.000 8.393 0.000) 8.393 19.268 ( 0.000 -7.018 0.000) 7.018 19.554 ( 0.000 -10.691 0.000) 10.691 20.272 ( 0.000 -0.374 0.000) 0.374 20.388 ( 0.000 2.713 0.000) 2.713 20.613 ( 0.000 -10.897 0.000) 10.897 20.816 ( 0.000 -11.399 0.000) 11.399 21.017 ( 0.000 0.655 0.000) 0.655 21.260 ( 0.000 -5.926 0.000) 5.926 21.368 ( 0.000 1.578 0.000) 1.578 21.467 ( 0.000 -1.227 0.000) 1.227 21.495 ( 0.000 3.207 0.000) 3.207 21.623 ( 0.000 2.865 0.000) 2.865 21.719 ( 0.000 -3.427 0.000) 3.427 21.797 ( 0.000 -2.253 0.000) 2.253 22.035 ( 0.000 1.316 0.000) 1.316 22.107 ( 0.000 0.736 0.000) 0.736 22.134 ( 0.000 -1.605 0.000) 1.605 22.183 ( 0.000 -1.360 0.000) 1.360 22.391 ( 0.000 1.967 0.000) 1.967 22.401 ( 0.000 3.353 0.000) 3.353 22.469 ( 0.000 1.376 0.000) 1.376 22.562 ( 0.000 1.000 0.000) 1.000 23.856 ( 0.000 -2.512 0.000) 2.512 23.961 ( 0.000 -6.132 0.000) 6.132 24.073 ( 0.000 8.556 0.000) 8.556 24.176 ( 0.000 2.825 0.000) 2.825 24.259 ( 0.000 -1.064 0.000) 1.064 24.372 ( 0.000 -3.065 0.000) 3.065 24.577 ( 0.000 2.603 0.000) 2.603 24.671 ( 0.000 -0.366 0.000) 0.366 24.692 ( 0.000 0.783 0.000) 0.783 24.701 ( 0.000 -2.549 0.000) 2.549 24.759 ( 0.000 -1.493 0.000) 1.493 24.799 ( 0.000 -2.125 0.000) 2.125 25.398 ( 0.000 3.550 0.000) 3.550 25.504 ( 0.000 1.353 0.000) 1.353 25.590 ( 0.000 3.169 0.000) 3.169 25.601 ( 0.000 2.353 0.000) 2.353 ======================= Grid point 11 (8/36) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 6.359 10.568 0.000) 12.334 1.179 ( 9.034 9.981 0.000) 13.462 1.368 ( 0.893 7.629 0.000) 7.681 1.440 ( 2.175 2.592 0.000) 3.384 1.562 ( -1.147 1.951 0.000) 2.263 1.576 ( 1.985 3.109 0.000) 3.689 1.702 ( -8.754 5.800 0.000) 10.501 1.764 ( 4.242 1.307 0.000) 4.439 1.789 ( -6.407 2.835 0.000) 7.007 1.833 ( -0.406 -0.890 0.000) 0.978 1.907 ( 2.986 2.817 0.000) 4.105 1.954 ( 0.786 6.153 0.000) 6.203 1.983 ( 2.689 2.466 0.000) 3.648 2.039 ( 2.376 2.394 0.000) 3.373 2.079 ( -0.732 0.016 0.000) 0.733 2.147 ( 3.769 -0.058 0.000) 3.770 2.188 ( 3.798 -4.730 0.000) 6.066 2.218 ( -0.628 -1.097 0.000) 1.264 2.270 ( 2.564 -0.790 0.000) 2.683 2.334 ( 1.662 -6.437 0.000) 6.648 2.450 ( 3.450 1.682 0.000) 3.838 2.461 ( -1.816 -0.753 0.000) 1.966 2.505 ( 2.548 3.363 0.000) 4.219 2.579 ( 7.877 11.611 0.000) 14.031 2.676 ( 4.269 8.993 0.000) 9.954 2.737 ( 3.555 2.505 0.000) 4.349 2.879 ( 4.260 0.597 0.000) 4.302 2.951 ( 0.977 -1.251 0.000) 1.587 3.096 ( 0.192 0.957 0.000) 0.976 3.149 ( -3.255 -0.018 0.000) 3.255 3.190 ( -6.765 -5.362 0.000) 8.632 3.300 ( -2.858 1.843 0.000) 3.401 3.363 ( 1.118 -5.561 0.000) 5.672 3.416 ( 1.602 0.436 0.000) 1.660 3.493 ( -11.284 3.317 0.000) 11.762 3.544 ( 2.078 -6.664 0.000) 6.981 3.568 ( -3.313 3.469 0.000) 4.797 3.668 ( -3.552 3.616 0.000) 5.068 3.748 ( 2.951 4.388 0.000) 5.288 3.871 ( 1.554 -0.671 0.000) 1.692 3.914 ( 1.834 2.306 0.000) 2.947 3.979 ( 4.348 3.585 0.000) 5.635 4.120 ( 5.002 1.280 0.000) 5.163 4.167 ( 3.366 -2.695 0.000) 4.312 4.285 ( 0.759 -4.651 0.000) 4.712 4.357 ( -10.240 3.359 0.000) 10.777 4.414 ( -2.827 -5.412 0.000) 6.105 4.666 ( -12.412 7.777 0.000) 14.647 4.691 ( -3.820 5.589 0.000) 6.769 4.769 ( -9.739 -4.584 0.000) 10.764 4.852 ( -8.572 -1.988 0.000) 8.799 4.992 ( -10.198 -1.211 0.000) 10.269 5.055 ( 1.087 1.265 0.000) 1.668 5.117 ( 2.728 -7.062 0.000) 7.570 5.158 ( 0.365 -0.095 0.000) 0.377 5.189 ( -1.737 -1.939 0.000) 2.604 5.330 ( 4.658 6.808 0.000) 8.249 5.357 ( 6.006 1.187 0.000) 6.122 5.443 ( 4.795 5.755 0.000) 7.491 5.519 ( 1.972 -2.064 0.000) 2.854 5.564 ( -1.150 -0.569 0.000) 1.283 5.578 ( 1.580 -1.467 0.000) 2.156 5.618 ( -2.218 2.403 0.000) 3.270 5.714 ( 0.289 7.768 0.000) 7.773 5.788 ( 2.487 2.802 0.000) 3.747 5.803 ( 3.900 0.799 0.000) 3.981 5.857 ( 3.279 3.293 0.000) 4.647 5.938 ( 0.819 0.804 0.000) 1.148 5.948 ( -2.672 0.274 0.000) 2.686 6.007 ( -0.797 -1.366 0.000) 1.581 6.071 ( 0.595 -0.622 0.000) 0.861 6.108 ( 0.782 2.299 0.000) 2.429 6.254 ( 1.851 -0.627 0.000) 1.954 6.305 ( 0.382 -1.776 0.000) 1.817 6.384 ( 0.084 -3.924 0.000) 3.925 6.552 ( 1.294 -3.074 0.000) 3.336 6.607 ( 4.398 8.362 0.000) 9.448 6.683 ( 5.470 -2.018 0.000) 5.830 6.721 ( 5.531 -3.946 0.000) 6.794 6.875 ( 2.065 0.755 0.000) 2.199 6.925 ( 1.383 10.173 0.000) 10.266 7.070 ( -13.265 -2.587 0.000) 13.515 7.133 ( -2.521 9.062 0.000) 9.407 7.231 ( -3.970 -0.956 0.000) 4.083 7.484 ( 0.304 -1.480 0.000) 1.511 7.543 ( -4.090 -3.185 0.000) 5.184 7.646 ( -9.886 3.798 0.000) 10.590 7.685 ( -4.588 1.765 0.000) 4.916 7.799 ( 1.080 -4.177 0.000) 4.314 7.868 ( 8.200 4.868 0.000) 9.536 7.915 ( -6.506 1.936 0.000) 6.788 8.040 ( 2.804 0.450 0.000) 2.840 8.245 ( 10.534 2.119 0.000) 10.745 8.474 ( 11.168 6.369 0.000) 12.857 8.504 ( 3.914 -0.763 0.000) 3.988 8.630 ( -7.667 5.720 0.000) 9.566 8.685 ( -2.276 -4.897 0.000) 5.400 8.738 ( -0.042 4.142 0.000) 4.142 8.876 ( -3.403 1.265 0.000) 3.631 8.907 ( -3.205 -0.810 0.000) 3.306 9.060 ( 2.874 -0.714 0.000) 2.961 9.109 ( -1.083 -3.592 0.000) 3.752 9.122 ( 2.524 -5.005 0.000) 5.605 9.324 ( -4.994 -4.873 0.000) 6.978 9.359 ( 1.051 4.447 0.000) 4.569 9.449 ( -1.642 -0.653 0.000) 1.767 9.521 ( 3.492 -3.588 0.000) 5.007 9.713 ( -3.044 -8.749 0.000) 9.263 9.735 ( 9.045 -2.530 0.000) 9.392 10.071 ( -0.923 -13.793 0.000) 13.824 10.462 ( 2.089 -0.987 0.000) 2.310 10.649 ( -3.981 -8.962 0.000) 9.806 11.778 ( 2.012 0.680 0.000) 2.124 11.842 ( -1.165 0.510 0.000) 1.272 11.944 ( 5.220 -2.110 0.000) 5.631 12.095 ( 0.580 -5.840 0.000) 5.868 12.109 ( -0.452 -5.232 0.000) 5.251 12.188 ( -2.714 -7.912 0.000) 8.365 12.207 ( -2.929 -10.066 0.000) 10.484 12.269 ( -4.588 -8.017 0.000) 9.237 12.624 ( 2.592 -0.226 0.000) 2.602 12.673 ( 2.076 -1.656 0.000) 2.655 12.852 ( -5.773 1.048 0.000) 5.867 12.881 ( -6.392 1.526 0.000) 6.572 13.087 ( 6.559 5.136 0.000) 8.331 13.206 ( 1.685 4.746 0.000) 5.036 13.361 ( 0.265 6.155 0.000) 6.161 13.376 ( 0.301 4.870 0.000) 4.879 13.401 ( -0.086 5.710 0.000) 5.710 13.465 ( -2.202 1.784 0.000) 2.834 13.606 ( 3.480 0.406 0.000) 3.504 13.632 ( 1.477 -0.808 0.000) 1.683 13.945 ( -1.168 2.953 0.000) 3.175 13.998 ( -2.384 0.115 0.000) 2.386 14.178 ( 1.317 -2.304 0.000) 2.654 14.236 ( -0.272 -0.301 0.000) 0.406 14.308 ( -2.400 -7.031 0.000) 7.429 14.399 ( -4.307 4.274 0.000) 6.068 14.476 ( 9.303 2.219 0.000) 9.564 14.609 ( 8.777 -5.931 0.000) 10.593 14.644 ( 7.461 -3.072 0.000) 8.069 14.809 ( -6.103 4.447 0.000) 7.552 14.846 ( -4.685 -7.727 0.000) 9.036 15.025 ( -7.568 -2.814 0.000) 8.074 15.226 ( 0.974 2.603 0.000) 2.779 15.239 ( 0.598 2.026 0.000) 2.112 15.692 ( 1.309 13.062 0.000) 13.127 15.713 ( 0.039 9.992 0.000) 9.992 15.954 ( 0.364 5.110 0.000) 5.123 16.000 ( -1.829 2.813 0.000) 3.356 16.209 ( 2.551 -4.275 0.000) 4.978 16.269 ( -0.563 -5.840 0.000) 5.867 18.795 ( 1.295 7.239 0.000) 7.354 18.862 ( -1.575 8.062 0.000) 8.214 19.305 ( 3.749 -7.151 0.000) 8.074 19.503 ( -4.961 -9.469 0.000) 10.690 20.285 ( 1.295 0.117 0.000) 1.300 20.362 ( -2.273 2.261 0.000) 3.206 20.655 ( 3.950 -11.099 0.000) 11.781 20.795 ( -2.246 -11.576 0.000) 11.792 21.065 ( 4.878 -0.119 0.000) 4.880 21.273 ( 1.377 -5.324 0.000) 5.499 21.316 ( -5.650 0.220 0.000) 5.654 21.379 ( -4.626 -1.554 0.000) 4.880 21.562 ( 3.205 2.887 0.000) 4.314 21.624 ( -0.261 3.576 0.000) 3.585 21.728 ( 1.112 -2.737 0.000) 2.954 21.786 ( -1.104 -1.760 0.000) 2.078 22.052 ( 1.601 1.291 0.000) 2.057 22.103 ( -0.531 0.923 0.000) 1.065 22.143 ( 0.909 -1.301 0.000) 1.587 22.178 ( -0.545 -0.991 0.000) 1.131 22.381 ( -0.600 2.449 0.000) 2.521 22.395 ( -0.765 2.955 0.000) 3.052 22.476 ( 0.836 0.970 0.000) 1.280 22.537 ( -2.114 1.046 0.000) 2.358 23.873 ( 1.523 -3.722 0.000) 4.021 23.937 ( -1.912 -5.068 0.000) 5.416 24.102 ( 2.284 7.266 0.000) 7.617 24.165 ( -1.068 4.201 0.000) 4.334 24.284 ( 2.444 -1.257 0.000) 2.749 24.370 ( -0.656 -2.797 0.000) 2.873 24.587 ( 1.054 2.364 0.000) 2.589 24.657 ( -2.265 0.630 0.000) 2.351 24.680 ( 1.076 -0.525 0.000) 1.197 24.719 ( 0.560 -1.775 0.000) 1.861 24.759 ( -0.001 -2.021 0.000) 2.021 24.783 ( -1.416 -2.049 0.000) 2.491 25.415 ( 1.679 3.451 0.000) 3.837 25.492 ( -1.382 1.853 0.000) 2.312 25.581 ( -0.520 3.151 0.000) 3.193 25.594 ( -0.713 2.396 0.000) 2.500 ======================= Grid point 12 (9/36) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -1.254 1.931 0.000) 2.303 1.240 ( 1.254 1.931 0.000) 2.303 1.452 ( -2.336 7.467 0.000) 7.823 1.452 ( 2.336 7.467 0.000) 7.823 1.552 ( -3.748 4.471 0.000) 5.835 1.552 ( 3.748 4.471 0.000) 5.835 1.651 ( -3.090 6.377 0.000) 7.087 1.651 ( 3.090 6.377 0.000) 7.087 1.823 ( -0.331 -0.222 0.000) 0.398 1.823 ( 0.331 -0.222 0.000) 0.398 1.953 ( -0.960 2.886 0.000) 3.041 1.953 ( 0.960 2.886 0.000) 3.041 2.021 ( -2.730 2.031 0.000) 3.403 2.021 ( 2.730 2.031 0.000) 3.403 2.140 ( -3.773 -0.006 0.000) 3.773 2.140 ( 3.773 -0.006 0.000) 3.773 2.206 ( -0.985 -1.520 0.000) 1.811 2.206 ( 0.985 -1.520 0.000) 1.811 2.337 ( -0.919 -3.686 0.000) 3.799 2.337 ( 0.919 -3.686 0.000) 3.799 2.453 ( -0.777 0.073 0.000) 0.781 2.453 ( 0.777 0.073 0.000) 0.781 2.597 ( -1.575 -1.670 0.000) 2.295 2.597 ( 1.575 -1.670 0.000) 2.295 2.857 ( -6.731 11.761 0.000) 13.551 2.857 ( 6.731 11.761 0.000) 13.551 2.956 ( -2.767 3.286 0.000) 4.296 2.956 ( 2.767 3.286 0.000) 4.296 3.078 ( -3.343 1.628 0.000) 3.718 3.078 ( 3.343 1.628 0.000) 3.718 3.196 ( -11.109 5.310 0.000) 12.313 3.196 ( 11.109 5.310 0.000) 12.313 3.291 ( -1.977 -1.278 0.000) 2.354 3.291 ( 1.977 -1.278 0.000) 2.354 3.510 ( -5.047 -9.087 0.000) 10.394 3.510 ( 5.047 -9.087 0.000) 10.394 3.583 ( -1.084 4.765 0.000) 4.887 3.583 ( 1.084 4.765 0.000) 4.887 3.816 ( -3.797 2.822 0.000) 4.731 3.816 ( 3.797 2.822 0.000) 4.731 4.013 ( -3.629 -0.625 0.000) 3.683 4.013 ( 3.629 -0.625 0.000) 3.683 4.165 ( -3.809 1.937 0.000) 4.274 4.165 ( 3.809 1.937 0.000) 4.274 4.328 ( -1.931 -2.185 0.000) 2.916 4.328 ( 1.931 -2.185 0.000) 2.916 4.411 ( -9.239 -3.330 0.000) 9.820 4.411 ( 9.239 -3.330 0.000) 9.820 4.670 ( -1.383 -0.325 0.000) 1.420 4.670 ( 1.383 -0.325 0.000) 1.420 4.804 ( -2.094 0.691 0.000) 2.205 4.804 ( 2.094 0.691 0.000) 2.205 5.106 ( -0.903 -0.154 0.000) 0.916 5.106 ( 0.903 -0.154 0.000) 0.916 5.168 ( -0.380 -4.633 0.000) 4.649 5.168 ( 0.380 -4.633 0.000) 4.649 5.401 ( -0.310 4.317 0.000) 4.328 5.401 ( 0.310 4.317 0.000) 4.328 5.505 ( -1.566 -0.870 0.000) 1.791 5.505 ( 1.566 -0.870 0.000) 1.791 5.591 ( -0.176 2.695 0.000) 2.701 5.591 ( 0.176 2.695 0.000) 2.701 5.634 ( -2.778 5.402 0.000) 6.074 5.634 ( 2.778 5.402 0.000) 6.074 5.867 ( -2.860 -0.376 0.000) 2.885 5.867 ( 2.860 -0.376 0.000) 2.885 5.884 ( -0.536 5.496 0.000) 5.522 5.884 ( 0.536 5.496 0.000) 5.522 5.971 ( -1.819 4.703 0.000) 5.042 5.971 ( 1.819 4.703 0.000) 5.042 6.090 ( -0.187 -4.504 0.000) 4.507 6.090 ( 0.187 -4.504 0.000) 4.507 6.289 ( -0.193 -1.931 0.000) 1.940 6.289 ( 0.193 -1.931 0.000) 1.940 6.480 ( -4.420 -3.632 0.000) 5.720 6.480 ( 4.420 -3.632 0.000) 5.720 6.728 ( -3.138 2.549 0.000) 4.043 6.728 ( 3.138 2.549 0.000) 4.043 6.813 ( -4.290 -2.152 0.000) 4.799 6.813 ( 4.290 -2.152 0.000) 4.799 6.961 ( -0.015 8.193 0.000) 8.193 6.961 ( 0.015 8.193 0.000) 8.193 7.126 ( -2.642 2.956 0.000) 3.965 7.126 ( 2.642 2.956 0.000) 3.965 7.491 ( -1.087 -2.461 0.000) 2.690 7.491 ( 1.087 -2.461 0.000) 2.690 7.584 ( -1.352 -0.830 0.000) 1.586 7.584 ( 1.352 -0.830 0.000) 1.586 7.832 ( -0.357 0.501 0.000) 0.615 7.832 ( 0.357 0.501 0.000) 0.615 8.019 ( -2.015 0.473 0.000) 2.069 8.019 ( 2.015 0.473 0.000) 2.069 8.428 ( -4.837 3.181 0.000) 5.789 8.428 ( 4.837 3.181 0.000) 5.789 8.573 ( -0.145 4.798 0.000) 4.801 8.573 ( 0.145 4.798 0.000) 4.801 8.752 ( -0.962 3.523 0.000) 3.652 8.752 ( 0.962 3.523 0.000) 3.652 8.816 ( -0.293 -1.813 0.000) 1.836 8.816 ( 0.293 -1.813 0.000) 1.836 9.085 ( -0.155 -1.022 0.000) 1.033 9.085 ( 0.155 -1.022 0.000) 1.033 9.216 ( -6.006 -5.502 0.000) 8.145 9.216 ( 6.006 -5.502 0.000) 8.145 9.402 ( -2.488 1.435 0.000) 2.872 9.402 ( 2.488 1.435 0.000) 2.872 9.609 ( -2.634 -7.059 0.000) 7.535 9.609 ( 2.634 -7.059 0.000) 7.535 9.955 ( -4.759 -6.274 0.000) 7.875 9.955 ( 4.759 -6.274 0.000) 7.875 10.549 ( -2.399 -6.126 0.000) 6.579 10.549 ( 2.399 -6.126 0.000) 6.579 11.816 ( -0.179 0.886 0.000) 0.904 11.816 ( 0.179 0.886 0.000) 0.904 12.044 ( -1.491 -2.644 0.000) 3.036 12.044 ( 1.491 -2.644 0.000) 3.036 12.138 ( -1.284 -8.305 0.000) 8.404 12.138 ( 1.284 -8.305 0.000) 8.404 12.199 ( -0.813 -8.511 0.000) 8.550 12.199 ( 0.813 -8.511 0.000) 8.550 12.692 ( -2.523 -0.502 0.000) 2.573 12.692 ( 2.523 -0.502 0.000) 2.573 12.779 ( -0.614 1.532 0.000) 1.650 12.779 ( 0.614 1.532 0.000) 1.650 13.189 ( -2.239 5.053 0.000) 5.527 13.189 ( 2.239 5.053 0.000) 5.527 13.371 ( -0.108 5.349 0.000) 5.350 13.371 ( 0.108 5.349 0.000) 5.350 13.422 ( -0.308 3.496 0.000) 3.510 13.422 ( 0.308 3.496 0.000) 3.510 13.646 ( -0.019 -0.357 0.000) 0.357 13.646 ( 0.019 -0.357 0.000) 0.357 13.951 ( -0.650 1.329 0.000) 1.479 13.951 ( 0.650 1.329 0.000) 1.479 14.233 ( -0.990 -7.847 0.000) 7.909 14.233 ( 0.990 -7.847 0.000) 7.909 14.301 ( -2.183 4.428 0.000) 4.937 14.301 ( 2.183 4.428 0.000) 4.937 14.659 ( -8.766 3.382 0.000) 9.396 14.659 ( 8.766 3.382 0.000) 9.396 14.737 ( -2.318 -7.059 0.000) 7.430 14.737 ( 2.318 -7.059 0.000) 7.430 14.846 ( -10.383 -2.996 0.000) 10.807 14.846 ( 10.383 -2.996 0.000) 10.807 15.241 ( -0.411 2.246 0.000) 2.284 15.241 ( 0.411 2.246 0.000) 2.284 15.710 ( -0.049 11.151 0.000) 11.151 15.710 ( 0.049 11.151 0.000) 11.151 15.969 ( -0.095 4.607 0.000) 4.608 15.969 ( 0.095 4.607 0.000) 4.608 16.250 ( -0.257 -5.368 0.000) 5.374 16.250 ( 0.257 -5.368 0.000) 5.374 18.827 ( -0.555 7.551 0.000) 7.572 18.827 ( 0.555 7.551 0.000) 7.572 19.397 ( -2.681 -7.878 0.000) 8.322 19.397 ( 2.681 -7.878 0.000) 8.322 20.318 ( -0.345 1.207 0.000) 1.256 20.318 ( 0.345 1.207 0.000) 1.256 20.734 ( -1.391 -11.541 0.000) 11.624 20.734 ( 1.391 -11.541 0.000) 11.624 21.183 ( -1.861 -0.694 0.000) 1.986 21.183 ( 1.861 -0.694 0.000) 1.986 21.313 ( -0.413 -3.831 0.000) 3.854 21.313 ( 0.413 -3.831 0.000) 3.854 21.606 ( -0.358 3.576 0.000) 3.594 21.606 ( 0.358 3.576 0.000) 3.594 21.758 ( -1.444 -1.572 0.000) 2.134 21.758 ( 1.444 -1.572 0.000) 2.134 22.083 ( -0.280 1.250 0.000) 1.281 22.083 ( 0.280 1.250 0.000) 1.281 22.163 ( -0.099 -0.761 0.000) 0.768 22.163 ( 0.099 -0.761 0.000) 0.768 22.380 ( -0.020 2.584 0.000) 2.584 22.380 ( 0.020 2.584 0.000) 2.584 22.500 ( -1.031 0.809 0.000) 1.310 22.500 ( 1.031 0.809 0.000) 1.310 23.903 ( -0.661 -4.820 0.000) 4.865 23.903 ( 0.661 -4.820 0.000) 4.865 24.140 ( -0.123 6.155 0.000) 6.157 24.140 ( 0.123 6.155 0.000) 6.157 24.337 ( -0.247 -1.854 0.000) 1.870 24.337 ( 0.247 -1.854 0.000) 1.870 24.616 ( -1.323 1.720 0.000) 2.170 24.616 ( 1.323 1.720 0.000) 2.170 24.709 ( -0.424 -1.338 0.000) 1.404 24.709 ( 0.424 -1.338 0.000) 1.404 24.762 ( -0.067 -2.285 0.000) 2.286 24.762 ( 0.067 -2.285 0.000) 2.286 25.455 ( -0.528 2.917 0.000) 2.965 25.455 ( 0.528 2.917 0.000) 2.965 25.581 ( -0.054 2.666 0.000) 2.667 25.581 ( 0.054 2.666 0.000) 2.667 ======================= Grid point 15 (10/36) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.000 3.400 0.000) 3.400 1.271 ( 0.000 1.934 0.000) 1.934 1.443 ( 0.000 2.104 0.000) 2.104 1.447 ( 0.000 0.923 0.000) 0.923 1.627 ( 0.000 4.074 0.000) 4.074 1.630 ( 0.000 3.670 0.000) 3.670 1.761 ( 0.000 2.142 0.000) 2.142 1.778 ( 0.000 -1.935 0.000) 1.935 1.840 ( 0.000 -5.341 0.000) 5.341 1.847 ( 0.000 -2.714 0.000) 2.714 1.944 ( 0.000 2.398 0.000) 2.398 1.992 ( 0.000 -0.977 0.000) 0.977 2.037 ( 0.000 0.300 0.000) 0.300 2.041 ( 0.000 -5.092 0.000) 5.092 2.064 ( 0.000 3.480 0.000) 3.480 2.080 ( 0.000 9.975 0.000) 9.975 2.154 ( 0.000 4.648 0.000) 4.648 2.180 ( 0.000 -3.911 0.000) 3.911 2.210 ( 0.000 8.835 0.000) 8.835 2.291 ( 0.000 -2.376 0.000) 2.376 2.429 ( 0.000 -4.106 0.000) 4.106 2.474 ( 0.000 2.985 0.000) 2.985 2.548 ( 0.000 0.934 0.000) 0.934 2.584 ( 0.000 -13.931 0.000) 13.931 2.695 ( 0.000 4.368 0.000) 4.368 2.728 ( 0.000 7.301 0.000) 7.301 2.884 ( 0.000 -3.788 0.000) 3.788 2.906 ( 0.000 -12.905 0.000) 12.905 3.075 ( 0.000 -0.054 0.000) 0.054 3.133 ( 0.000 2.189 0.000) 2.189 3.166 ( 0.000 7.195 0.000) 7.195 3.198 ( 0.000 -6.661 0.000) 6.661 3.351 ( 0.000 10.788 0.000) 10.788 3.431 ( 0.000 0.256 0.000) 0.256 3.505 ( 0.000 -5.643 0.000) 5.643 3.553 ( 0.000 -4.221 0.000) 4.221 3.648 ( 0.000 4.152 0.000) 4.152 3.673 ( 0.000 2.260 0.000) 2.260 3.773 ( 0.000 -7.899 0.000) 7.899 3.782 ( 0.000 -8.478 0.000) 8.478 4.064 ( 0.000 11.567 0.000) 11.567 4.137 ( 0.000 7.883 0.000) 7.883 4.172 ( 0.000 7.773 0.000) 7.773 4.203 ( 0.000 7.120 0.000) 7.120 4.268 ( 0.000 9.288 0.000) 9.288 4.468 ( 0.000 -8.405 0.000) 8.405 4.569 ( 0.000 3.842 0.000) 3.842 4.730 ( 0.000 -13.091 0.000) 13.091 4.851 ( 0.000 0.579 0.000) 0.579 4.869 ( 0.000 2.140 0.000) 2.140 4.957 ( 0.000 0.214 0.000) 0.214 4.959 ( 0.000 -0.557 0.000) 0.557 5.037 ( 0.000 4.679 0.000) 4.679 5.144 ( 0.000 -4.885 0.000) 4.885 5.172 ( 0.000 1.671 0.000) 1.671 5.189 ( 0.000 1.268 0.000) 1.268 5.297 ( 0.000 0.978 0.000) 0.978 5.360 ( 0.000 5.472 0.000) 5.472 5.386 ( 0.000 -6.034 0.000) 6.034 5.441 ( 0.000 -1.175 0.000) 1.175 5.548 ( 0.000 1.985 0.000) 1.985 5.556 ( 0.000 -1.555 0.000) 1.555 5.688 ( 0.000 1.022 0.000) 1.022 5.718 ( 0.000 -2.451 0.000) 2.451 5.726 ( 0.000 1.286 0.000) 1.286 5.792 ( 0.000 -2.144 0.000) 2.144 5.873 ( 0.000 1.714 0.000) 1.714 5.902 ( 0.000 -0.671 0.000) 0.671 6.024 ( 0.000 4.646 0.000) 4.646 6.028 ( 0.000 6.132 0.000) 6.132 6.173 ( 0.000 3.772 0.000) 3.772 6.182 ( 0.000 -1.660 0.000) 1.660 6.195 ( 0.000 -5.458 0.000) 5.458 6.272 ( 0.000 -4.748 0.000) 4.748 6.304 ( 0.000 9.540 0.000) 9.540 6.494 ( 0.000 -4.305 0.000) 4.305 6.494 ( 0.000 -5.883 0.000) 5.883 6.537 ( 0.000 -6.802 0.000) 6.802 6.854 ( 0.000 13.336 0.000) 13.336 6.943 ( 0.000 7.042 0.000) 7.042 7.075 ( 0.000 2.576 0.000) 2.576 7.129 ( 0.000 -2.609 0.000) 2.609 7.171 ( 0.000 -3.346 0.000) 3.346 7.244 ( 0.000 -2.116 0.000) 2.116 7.567 ( 0.000 4.160 0.000) 4.160 7.600 ( 0.000 -1.035 0.000) 1.035 7.638 ( 0.000 -0.802 0.000) 0.802 7.730 ( 0.000 -4.397 0.000) 4.397 7.899 ( 0.000 5.795 0.000) 5.795 7.967 ( 0.000 1.951 0.000) 1.951 8.034 ( 0.000 5.491 0.000) 5.491 8.077 ( 0.000 1.555 0.000) 1.555 8.133 ( 0.000 2.958 0.000) 2.958 8.252 ( 0.000 -8.543 0.000) 8.543 8.461 ( 0.000 3.597 0.000) 3.597 8.591 ( 0.000 -7.766 0.000) 7.766 8.798 ( 0.000 6.871 0.000) 6.871 8.826 ( 0.000 2.474 0.000) 2.474 8.867 ( 0.000 -1.681 0.000) 1.681 8.955 ( 0.000 -5.216 0.000) 5.216 8.963 ( 0.000 -0.289 0.000) 0.289 9.013 ( 0.000 -4.119 0.000) 4.119 9.127 ( 0.000 6.787 0.000) 6.787 9.264 ( 0.000 -5.833 0.000) 5.833 9.410 ( 0.000 0.126 0.000) 0.126 9.418 ( 0.000 -1.430 0.000) 1.430 9.549 ( 0.000 4.464 0.000) 4.464 9.599 ( 0.000 0.577 0.000) 0.577 9.630 ( 0.000 -3.343 0.000) 3.343 9.724 ( 0.000 -12.762 0.000) 12.762 10.460 ( 0.000 0.972 0.000) 0.972 10.522 ( 0.000 -5.283 0.000) 5.283 11.778 ( 0.000 1.624 0.000) 1.624 11.823 ( 0.000 -2.555 0.000) 2.555 11.909 ( 0.000 3.030 0.000) 3.030 11.996 ( 0.000 -4.694 0.000) 4.694 12.010 ( 0.000 -2.206 0.000) 2.206 12.036 ( 0.000 -5.195 0.000) 5.195 12.112 ( 0.000 -0.575 0.000) 0.575 12.184 ( 0.000 -6.323 0.000) 6.323 12.611 ( 0.000 0.773 0.000) 0.773 12.627 ( 0.000 -0.769 0.000) 0.769 12.928 ( 0.000 0.410 0.000) 0.410 12.936 ( 0.000 -0.358 0.000) 0.358 13.163 ( 0.000 6.217 0.000) 6.217 13.234 ( 0.000 0.040 0.000) 0.040 13.455 ( 0.000 2.218 0.000) 2.218 13.456 ( 0.000 2.260 0.000) 2.260 13.507 ( 0.000 3.065 0.000) 3.065 13.530 ( 0.000 2.710 0.000) 2.710 13.557 ( 0.000 -2.113 0.000) 2.113 13.584 ( 0.000 -1.602 0.000) 1.602 14.032 ( 0.000 1.375 0.000) 1.375 14.046 ( 0.000 2.387 0.000) 2.387 14.143 ( 0.000 -3.753 0.000) 3.753 14.158 ( 0.000 -2.345 0.000) 2.345 14.349 ( 0.000 2.506 0.000) 2.506 14.389 ( 0.000 2.401 0.000) 2.401 14.413 ( 0.000 -2.253 0.000) 2.253 14.480 ( 0.000 -4.721 0.000) 4.721 14.568 ( 0.000 6.253 0.000) 6.253 14.717 ( 0.000 -7.844 0.000) 7.844 14.971 ( 0.000 4.214 0.000) 4.214 15.045 ( 0.000 -2.849 0.000) 2.849 15.258 ( 0.000 1.168 0.000) 1.168 15.262 ( 0.000 0.745 0.000) 0.745 15.921 ( 0.000 9.630 0.000) 9.630 15.928 ( 0.000 9.511 0.000) 9.511 16.026 ( 0.000 1.873 0.000) 1.873 16.039 ( 0.000 0.391 0.000) 0.391 16.091 ( 0.000 -5.460 0.000) 5.460 16.119 ( 0.000 -8.330 0.000) 8.330 18.944 ( 0.000 7.903 0.000) 7.903 19.081 ( 0.000 10.608 0.000) 10.608 19.111 ( 0.000 -7.710 0.000) 7.710 19.317 ( 0.000 -11.407 0.000) 11.407 20.291 ( 0.000 2.666 0.000) 2.666 20.403 ( 0.000 -7.980 0.000) 7.980 20.462 ( 0.000 4.672 0.000) 4.672 20.599 ( 0.000 -8.471 0.000) 8.471 21.060 ( 0.000 3.095 0.000) 3.095 21.144 ( 0.000 -4.816 0.000) 4.816 21.406 ( 0.000 1.791 0.000) 1.791 21.440 ( 0.000 -1.427 0.000) 1.427 21.561 ( 0.000 3.052 0.000) 3.052 21.623 ( 0.000 -2.658 0.000) 2.658 21.709 ( 0.000 2.133 0.000) 2.133 21.753 ( 0.000 -1.958 0.000) 1.958 22.060 ( 0.000 1.349 0.000) 1.349 22.095 ( 0.000 -1.899 0.000) 1.899 22.124 ( 0.000 1.047 0.000) 1.047 22.152 ( 0.000 -1.481 0.000) 1.481 22.431 ( 0.000 1.485 0.000) 1.485 22.443 ( 0.000 0.566 0.000) 0.566 22.518 ( 0.000 2.581 0.000) 2.581 22.560 ( 0.000 -1.148 0.000) 1.148 23.826 ( 0.000 -0.043 0.000) 0.043 23.860 ( 0.000 -3.230 0.000) 3.230 24.215 ( 0.000 3.000 0.000) 3.000 24.224 ( 0.000 3.550 0.000) 3.550 24.241 ( 0.000 -0.856 0.000) 0.856 24.305 ( 0.000 -3.231 0.000) 3.231 24.620 ( 0.000 1.359 0.000) 1.359 24.646 ( 0.000 -1.521 0.000) 1.521 24.679 ( 0.000 0.156 0.000) 0.156 24.689 ( 0.000 -0.721 0.000) 0.721 24.747 ( 0.000 0.379 0.000) 0.379 24.763 ( 0.000 -1.149 0.000) 1.149 25.471 ( 0.000 2.945 0.000) 2.945 25.512 ( 0.000 -0.790 0.000) 0.790 25.638 ( 0.000 1.222 0.000) 1.222 25.639 ( 0.000 1.010 0.000) 1.010 ======================= Grid point 16 (11/36) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.099 1.643 0.000) 1.646 1.265 ( -0.543 0.895 0.000) 1.047 1.464 ( 1.539 0.869 0.000) 1.768 1.474 ( 1.877 0.239 0.000) 1.892 1.651 ( 2.154 4.936 0.000) 5.385 1.662 ( 2.575 4.264 0.000) 4.982 1.757 ( -1.316 -0.470 0.000) 1.397 1.773 ( -1.014 -1.483 0.000) 1.797 1.830 ( 2.034 2.421 0.000) 3.162 1.896 ( 2.656 -2.997 0.000) 4.004 1.939 ( -0.944 4.615 0.000) 4.711 1.993 ( 0.163 0.091 0.000) 0.187 2.044 ( 0.188 -0.319 0.000) 0.371 2.063 ( 1.283 -2.876 0.000) 3.149 2.069 ( 0.137 0.030 0.000) 0.140 2.107 ( 0.017 2.051 0.000) 2.052 2.188 ( 3.952 5.418 0.000) 6.706 2.230 ( 4.944 2.214 0.000) 5.417 2.271 ( 4.410 10.633 0.000) 11.511 2.328 ( 4.097 -2.026 0.000) 4.571 2.382 ( -2.302 -5.114 0.000) 5.609 2.438 ( -1.756 2.631 0.000) 3.163 2.502 ( -4.708 -4.389 0.000) 6.436 2.619 ( 4.401 -6.421 0.000) 7.785 2.654 ( 2.849 -6.104 0.000) 6.736 2.689 ( -6.505 -6.838 0.000) 9.438 2.942 ( 10.670 2.849 0.000) 11.044 2.988 ( -2.583 1.501 0.000) 2.987 3.108 ( 1.920 -6.023 0.000) 6.322 3.163 ( 3.473 6.768 0.000) 7.607 3.188 ( 5.282 1.376 0.000) 5.458 3.240 ( 3.738 -2.845 0.000) 4.697 3.345 ( 0.028 1.658 0.000) 1.658 3.386 ( -4.554 0.668 0.000) 4.603 3.499 ( 0.951 -0.332 0.000) 1.007 3.573 ( -5.123 -0.558 0.000) 5.153 3.600 ( -1.581 5.137 0.000) 5.374 3.671 ( -1.072 -2.284 0.000) 2.523 3.808 ( 12.484 1.396 0.000) 12.562 3.932 ( 9.827 -6.008 0.000) 11.518 4.004 ( -8.377 9.273 0.000) 12.497 4.122 ( -6.715 4.205 0.000) 7.923 4.156 ( -0.502 3.605 0.000) 3.640 4.211 ( -1.020 0.925 0.000) 1.377 4.255 ( 0.964 10.300 0.000) 10.345 4.391 ( -6.267 0.535 0.000) 6.290 4.468 ( -7.997 3.189 0.000) 8.609 4.586 ( -7.930 -9.371 0.000) 12.276 4.774 ( -8.972 3.547 0.000) 9.648 4.827 ( -8.138 2.783 0.000) 8.601 4.898 ( -7.182 4.365 0.000) 8.405 4.929 ( 0.812 -1.924 0.000) 2.088 4.947 ( -5.931 -2.372 0.000) 6.388 5.052 ( -2.413 -5.384 0.000) 5.900 5.111 ( -4.657 -3.618 0.000) 5.897 5.134 ( -4.358 -3.254 0.000) 5.439 5.357 ( 4.439 0.102 0.000) 4.441 5.381 ( 4.435 -1.401 0.000) 4.651 5.489 ( 5.874 4.095 0.000) 7.160 5.540 ( 0.126 -0.050 0.000) 0.135 5.562 ( 5.375 1.580 0.000) 5.603 5.623 ( 5.718 1.542 0.000) 5.923 5.700 ( -0.237 3.716 0.000) 3.723 5.752 ( 3.283 -1.197 0.000) 3.494 5.771 ( 2.903 -1.901 0.000) 3.470 5.805 ( 3.501 -2.762 0.000) 4.460 5.893 ( -0.839 1.839 0.000) 2.021 5.935 ( 4.042 -1.653 0.000) 4.367 6.004 ( -0.238 6.147 0.000) 6.152 6.067 ( -0.241 6.402 0.000) 6.407 6.132 ( -4.467 -0.431 0.000) 4.487 6.168 ( 0.254 1.576 0.000) 1.596 6.195 ( 0.303 -1.483 0.000) 1.514 6.229 ( -3.310 -6.011 0.000) 6.862 6.362 ( 6.216 3.346 0.000) 7.059 6.452 ( 1.306 -3.963 0.000) 4.173 6.601 ( 6.342 -3.234 0.000) 7.119 6.618 ( 5.273 -4.867 0.000) 7.176 6.827 ( -1.487 10.081 0.000) 10.190 6.964 ( -1.908 2.147 0.000) 2.872 7.061 ( -3.308 2.186 0.000) 3.965 7.115 ( 3.246 0.653 0.000) 3.311 7.165 ( -0.449 2.554 0.000) 2.593 7.249 ( 0.531 -0.248 0.000) 0.586 7.478 ( -8.984 0.187 0.000) 8.986 7.501 ( -6.058 0.150 0.000) 6.060 7.619 ( -3.026 -3.040 0.000) 4.289 7.663 ( -5.219 -4.357 0.000) 6.799 7.819 ( -5.581 6.697 0.000) 8.718 7.919 ( -7.190 -1.857 0.000) 7.426 8.005 ( 3.198 4.465 0.000) 5.492 8.049 ( 2.045 -0.291 0.000) 2.065 8.316 ( 12.162 4.612 0.000) 13.007 8.418 ( 8.737 -4.776 0.000) 9.958 8.553 ( 8.687 0.968 0.000) 8.741 8.597 ( 1.107 -2.770 0.000) 2.984 8.757 ( -4.325 4.402 0.000) 6.171 8.820 ( -3.033 -0.865 0.000) 3.153 8.857 ( 1.329 3.154 0.000) 3.422 8.932 ( -3.273 0.487 0.000) 3.309 9.001 ( 3.015 -3.997 0.000) 5.006 9.016 ( 0.779 -3.679 0.000) 3.760 9.096 ( -1.928 4.004 0.000) 4.444 9.208 ( -5.163 -5.742 0.000) 7.722 9.410 ( -0.002 0.239 0.000) 0.239 9.418 ( 0.073 -1.443 0.000) 1.445 9.514 ( -0.836 1.742 0.000) 1.932 9.573 ( -3.313 -3.871 0.000) 5.095 9.707 ( 7.339 0.092 0.000) 7.340 9.797 ( 3.987 -9.585 0.000) 10.381 10.456 ( -0.148 0.586 0.000) 0.604 10.504 ( -1.767 -4.368 0.000) 4.711 11.805 ( 2.508 1.786 0.000) 3.079 11.842 ( 1.230 -1.129 0.000) 1.670 11.930 ( 2.536 1.314 0.000) 2.856 11.992 ( -0.026 -3.545 0.000) 3.545 12.012 ( 0.026 -3.225 0.000) 3.225 12.030 ( -0.526 -5.042 0.000) 5.070 12.081 ( -2.916 -1.118 0.000) 3.123 12.133 ( -4.643 -4.992 0.000) 6.818 12.634 ( 2.530 0.764 0.000) 2.643 12.650 ( 2.487 -0.802 0.000) 2.613 12.870 ( -5.349 0.747 0.000) 5.401 12.884 ( -5.180 -0.525 0.000) 5.207 13.211 ( 4.255 5.266 0.000) 6.770 13.266 ( 2.270 0.399 0.000) 2.305 13.453 ( -0.027 2.397 0.000) 2.397 13.457 ( 0.019 2.094 0.000) 2.095 13.497 ( -0.860 2.824 0.000) 2.952 13.504 ( -1.316 1.581 0.000) 2.057 13.595 ( 2.541 -1.073 0.000) 2.759 13.607 ( 1.842 -1.432 0.000) 2.333 14.001 ( -2.978 1.881 0.000) 3.523 14.007 ( -2.067 0.740 0.000) 2.196 14.120 ( -2.127 -2.112 0.000) 2.997 14.134 ( -1.137 -4.156 0.000) 4.309 14.343 ( 1.832 5.031 0.000) 5.354 14.455 ( 1.571 -3.996 0.000) 4.294 14.520 ( 7.129 2.941 0.000) 7.711 14.545 ( 1.958 3.766 0.000) 4.245 14.584 ( 9.891 -2.807 0.000) 10.282 14.677 ( -3.964 -7.568 0.000) 8.543 14.902 ( -6.981 3.946 0.000) 8.020 14.972 ( -7.383 -2.701 0.000) 7.862 15.268 ( 0.831 1.164 0.000) 1.430 15.272 ( 0.713 0.796 0.000) 1.069 15.919 ( -0.078 8.914 0.000) 8.914 15.929 ( -0.133 8.901 0.000) 8.902 16.025 ( 0.136 1.693 0.000) 1.699 16.039 ( -0.119 1.072 0.000) 1.079 16.104 ( 1.141 -5.817 0.000) 5.928 16.124 ( 0.314 -7.438 0.000) 7.445 18.960 ( 1.592 8.001 0.000) 8.157 19.047 ( -2.481 7.702 0.000) 8.092 19.151 ( 3.202 -5.657 0.000) 6.501 19.288 ( -2.966 -10.438 0.000) 10.851 20.313 ( 2.264 3.068 0.000) 3.813 20.409 ( -0.794 -1.626 0.000) 1.809 20.463 ( 1.517 -2.013 0.000) 2.521 20.577 ( -2.322 -8.464 0.000) 8.777 21.094 ( 3.654 2.557 0.000) 4.460 21.168 ( 2.565 -4.340 0.000) 5.041 21.328 ( -7.001 0.753 0.000) 7.042 21.348 ( -6.503 -1.208 0.000) 6.614 21.622 ( 3.772 2.593 0.000) 4.577 21.669 ( 3.513 -1.648 0.000) 3.880 21.700 ( -0.888 2.257 0.000) 2.425 21.748 ( -0.678 -1.924 0.000) 2.040 22.075 ( 1.327 1.098 0.000) 1.722 22.101 ( 0.295 -1.222 0.000) 1.257 22.132 ( 0.842 0.639 0.000) 1.057 22.153 ( 0.085 -1.227 0.000) 1.230 22.430 ( 0.055 1.896 0.000) 1.897 22.445 ( 0.055 0.918 0.000) 0.919 22.504 ( -1.063 1.659 0.000) 1.971 22.537 ( -2.061 -1.019 0.000) 2.299 23.825 ( -0.033 -0.664 0.000) 0.665 23.848 ( -1.070 -2.777 0.000) 2.976 24.226 ( 0.875 2.462 0.000) 2.613 24.230 ( 0.583 3.420 0.000) 3.469 24.263 ( 2.038 -0.536 0.000) 2.107 24.310 ( 0.189 -2.873 0.000) 2.880 24.619 ( -0.005 0.778 0.000) 0.778 24.640 ( -0.784 -1.442 0.000) 1.641 24.680 ( 0.713 0.867 0.000) 1.122 24.703 ( 1.110 -1.029 0.000) 1.513 24.733 ( -1.355 0.368 0.000) 1.404 24.752 ( -1.150 -1.112 0.000) 1.600 25.481 ( 0.981 2.488 0.000) 2.675 25.511 ( -0.197 -0.245 0.000) 0.315 25.631 ( -0.607 1.278 0.000) 1.415 25.633 ( -0.601 1.024 0.000) 1.187 ======================= Grid point 17 (12/36) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -0.007 0.360 0.000) 0.360 1.258 ( 0.007 0.360 0.000) 0.360 1.487 ( -0.040 -0.370 0.000) 0.372 1.487 ( 0.040 -0.370 0.000) 0.372 1.684 ( -0.078 4.280 0.000) 4.280 1.684 ( 0.078 4.280 0.000) 4.280 1.749 ( -0.589 0.553 0.000) 0.807 1.749 ( 0.589 0.553 0.000) 0.807 1.881 ( -1.767 5.580 0.000) 5.853 1.881 ( 1.767 5.580 0.000) 5.853 1.968 ( -2.193 -0.529 0.000) 2.256 1.968 ( 2.193 -0.529 0.000) 2.256 2.045 ( -0.347 -0.163 0.000) 0.383 2.045 ( 0.347 -0.163 0.000) 0.383 2.107 ( -1.013 -3.542 0.000) 3.684 2.107 ( 1.013 -3.542 0.000) 3.684 2.243 ( -0.440 5.070 0.000) 5.090 2.243 ( 0.440 5.070 0.000) 5.090 2.314 ( -1.793 2.602 0.000) 3.160 2.314 ( 1.793 2.602 0.000) 3.160 2.405 ( -1.089 -3.799 0.000) 3.952 2.405 ( 1.089 -3.799 0.000) 3.952 2.562 ( -6.408 0.614 0.000) 6.437 2.562 ( 6.408 0.614 0.000) 6.437 2.728 ( -0.333 -8.384 0.000) 8.390 2.728 ( 0.333 -8.384 0.000) 8.390 2.975 ( -6.558 -10.176 0.000) 12.106 2.975 ( 6.558 -10.176 0.000) 12.106 3.187 ( -3.480 9.897 0.000) 10.491 3.187 ( 3.480 9.897 0.000) 10.491 3.275 ( -0.958 2.122 0.000) 2.328 3.275 ( 0.958 2.122 0.000) 2.328 3.347 ( -0.758 0.552 0.000) 0.938 3.347 ( 0.758 0.552 0.000) 0.938 3.460 ( -2.272 0.997 0.000) 2.481 3.460 ( 2.272 0.997 0.000) 2.481 3.707 ( -3.237 4.343 0.000) 5.417 3.707 ( 3.237 4.343 0.000) 5.417 3.857 ( -7.549 -1.028 0.000) 7.619 3.857 ( 7.549 -1.028 0.000) 7.619 4.032 ( -0.423 2.916 0.000) 2.947 4.032 ( 0.423 2.916 0.000) 2.947 4.186 ( -0.391 2.752 0.000) 2.780 4.186 ( 0.391 2.752 0.000) 2.780 4.299 ( -5.000 0.137 0.000) 5.002 4.299 ( 5.000 0.137 0.000) 5.002 4.420 ( -4.220 1.004 0.000) 4.338 4.420 ( 4.220 1.004 0.000) 4.338 4.738 ( -0.611 5.188 0.000) 5.224 4.738 ( 0.611 5.188 0.000) 5.224 4.796 ( -0.149 -0.870 0.000) 0.882 4.796 ( 0.149 -0.870 0.000) 0.882 5.027 ( -2.553 -4.429 0.000) 5.113 5.027 ( 2.554 -4.429 0.000) 5.113 5.060 ( -1.136 -6.321 0.000) 6.422 5.060 ( 1.136 -6.321 0.000) 6.422 5.425 ( -0.085 1.274 0.000) 1.277 5.425 ( 0.085 1.274 0.000) 1.277 5.533 ( -0.102 1.112 0.000) 1.117 5.533 ( 0.102 1.112 0.000) 1.117 5.643 ( -0.889 3.166 0.000) 3.289 5.643 ( 0.889 3.166 0.000) 3.289 5.753 ( -0.225 -0.432 0.000) 0.487 5.753 ( 0.225 -0.432 0.000) 0.487 5.828 ( -1.572 3.160 0.000) 3.529 5.828 ( 1.572 3.160 0.000) 3.529 5.932 ( -2.817 -2.887 0.000) 4.034 5.932 ( 2.817 -2.887 0.000) 4.034 6.009 ( -0.256 1.148 0.000) 1.176 6.009 ( 0.256 1.148 0.000) 1.176 6.136 ( -3.484 2.910 0.000) 4.539 6.136 ( 3.484 2.910 0.000) 4.539 6.202 ( -0.216 -2.945 0.000) 2.953 6.202 ( 0.216 -2.945 0.000) 2.953 6.471 ( -2.579 1.842 0.000) 3.169 6.471 ( 2.579 1.842 0.000) 3.169 6.672 ( -0.106 -4.398 0.000) 4.399 6.672 ( 0.106 -4.398 0.000) 4.399 6.848 ( -0.933 3.813 0.000) 3.926 6.848 ( 0.933 3.813 0.000) 3.926 7.096 ( -0.955 0.362 0.000) 1.021 7.096 ( 0.955 0.362 0.000) 1.021 7.216 ( -1.256 6.584 0.000) 6.703 7.216 ( 1.256 6.584 0.000) 6.703 7.414 ( -1.882 -4.218 0.000) 4.619 7.414 ( 1.882 -4.218 0.000) 4.619 7.573 ( -0.144 0.009 0.000) 0.144 7.573 ( 0.144 0.009 0.000) 0.144 7.817 ( -0.781 -1.027 0.000) 1.290 7.817 ( 0.781 -1.027 0.000) 1.290 8.057 ( -0.151 1.697 0.000) 1.703 8.057 ( 0.151 1.697 0.000) 1.703 8.478 ( -0.324 0.913 0.000) 0.969 8.478 ( 0.324 0.913 0.000) 0.969 8.643 ( -0.559 3.238 0.000) 3.285 8.643 ( 0.559 3.238 0.000) 3.285 8.739 ( -2.272 -3.330 0.000) 4.031 8.739 ( 2.272 -3.330 0.000) 4.031 8.867 ( -0.519 3.811 0.000) 3.846 8.867 ( 0.519 3.811 0.000) 3.846 9.037 ( -0.009 -1.958 0.000) 1.958 9.037 ( 0.009 -1.958 0.000) 1.958 9.111 ( -4.216 -3.459 0.000) 5.453 9.111 ( 4.216 -3.459 0.000) 5.453 9.415 ( -0.135 -0.297 0.000) 0.326 9.415 ( 0.135 -0.297 0.000) 0.326 9.525 ( -0.284 -1.433 0.000) 1.461 9.525 ( 0.284 -1.433 0.000) 1.461 9.811 ( -0.271 -4.864 0.000) 4.871 9.811 ( 0.271 -4.864 0.000) 4.871 10.468 ( -0.144 -1.695 0.000) 1.701 10.468 ( 0.144 -1.695 0.000) 1.701 11.845 ( -0.056 1.473 0.000) 1.474 11.845 ( 0.056 1.473 0.000) 1.474 11.992 ( -1.617 -2.072 0.000) 2.628 11.992 ( 1.617 -2.072 0.000) 2.628 12.011 ( -0.241 -3.208 0.000) 3.217 12.011 ( 0.241 -3.208 0.000) 3.217 12.055 ( -1.985 -3.859 0.000) 4.339 12.055 ( 1.985 -3.859 0.000) 4.339 12.688 ( -0.427 -0.033 0.000) 0.429 12.688 ( 0.427 -0.033 0.000) 0.429 12.798 ( -0.173 0.329 0.000) 0.371 12.798 ( 0.173 0.329 0.000) 0.371 13.275 ( -0.456 2.591 0.000) 2.630 13.275 ( 0.456 2.591 0.000) 2.630 13.456 ( -0.013 2.233 0.000) 2.233 13.456 ( 0.013 2.233 0.000) 2.233 13.489 ( -0.004 2.183 0.000) 2.183 13.489 ( 0.004 2.183 0.000) 2.183 13.626 ( -0.005 -1.267 0.000) 1.267 13.626 ( 0.005 -1.267 0.000) 1.267 13.978 ( -0.059 1.099 0.000) 1.100 13.978 ( 0.059 1.099 0.000) 1.100 14.109 ( -0.123 -3.470 0.000) 3.472 14.109 ( 0.123 -3.470 0.000) 3.472 14.408 ( -1.346 5.141 0.000) 5.314 14.408 ( 1.346 5.141 0.000) 5.314 14.585 ( -1.361 -6.246 0.000) 6.393 14.585 ( 1.361 -6.246 0.000) 6.393 14.727 ( -8.230 2.563 0.000) 8.620 14.727 ( 8.230 2.563 0.000) 8.620 14.798 ( -9.229 -1.873 0.000) 9.417 14.798 ( 9.229 -1.873 0.000) 9.417 15.279 ( -0.003 1.001 0.000) 1.001 15.279 ( 0.003 1.001 0.000) 1.001 15.922 ( -0.027 8.156 0.000) 8.156 15.922 ( 0.027 8.156 0.000) 8.156 16.033 ( -0.015 1.816 0.000) 1.816 16.033 ( 0.015 1.816 0.000) 1.816 16.122 ( -0.046 -6.443 0.000) 6.444 16.122 ( 0.046 -6.443 0.000) 6.444 18.999 ( -0.626 8.072 0.000) 8.096 18.999 ( 0.626 8.072 0.000) 8.096 19.220 ( -1.427 -8.165 0.000) 8.289 19.220 ( 1.427 -8.165 0.000) 8.289 20.366 ( -0.899 3.369 0.000) 3.487 20.366 ( 0.899 3.369 0.000) 3.487 20.519 ( -2.214 -7.855 0.000) 8.161 20.519 ( 2.214 -7.855 0.000) 8.161 21.192 ( -1.525 1.278 0.000) 1.989 21.192 ( 1.525 1.278 0.000) 1.989 21.240 ( -1.290 -2.827 0.000) 3.107 21.240 ( 1.290 -2.827 0.000) 3.107 21.675 ( -0.974 2.671 0.000) 2.843 21.675 ( 0.974 2.671 0.000) 2.843 21.723 ( -1.280 -1.691 0.000) 2.121 21.723 ( 1.280 -1.691 0.000) 2.121 22.097 ( -0.044 0.218 0.000) 0.223 22.097 ( 0.044 0.218 0.000) 0.223 22.149 ( -0.046 -0.400 0.000) 0.402 22.149 ( 0.046 -0.400 0.000) 0.402 22.437 ( -0.047 2.185 0.000) 2.185 22.437 ( 0.047 2.185 0.000) 2.185 22.503 ( -0.454 -0.509 0.000) 0.682 22.503 ( 0.454 -0.509 0.000) 0.682 23.830 ( -0.065 -1.816 0.000) 1.817 23.830 ( 0.065 -1.816 0.000) 1.817 24.237 ( -0.000 2.925 0.000) 2.925 24.237 ( 0.000 2.925 0.000) 2.925 24.299 ( -0.064 -1.637 0.000) 1.638 24.299 ( 0.064 -1.637 0.000) 1.638 24.624 ( -0.038 -0.407 0.000) 0.409 24.624 ( 0.038 -0.407 0.000) 0.409 24.704 ( -1.376 0.773 0.000) 1.578 24.704 ( 1.376 0.773 0.000) 1.578 24.727 ( -0.399 -1.213 0.000) 1.276 24.727 ( 0.399 -1.213 0.000) 1.276 25.501 ( -0.065 1.189 0.000) 1.191 25.501 ( 0.065 1.189 0.000) 1.191 25.624 ( -0.002 1.158 0.000) 1.158 25.624 ( 0.002 1.158 0.000) 1.158 ======================= Grid point 35 (13/36) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.506 ( 0.000 0.000 26.700) 26.700 0.546 ( 0.000 0.000 29.075) 29.075 1.022 ( 0.000 0.000 44.664) 44.664 1.259 ( 0.000 0.000 14.769) 14.769 1.286 ( 0.000 0.000 5.150) 5.150 1.478 ( 0.000 0.000 -0.446) 0.446 1.581 ( 0.000 0.000 -1.257) 1.257 1.646 ( 0.000 0.000 -3.047) 3.047 1.741 ( 0.000 0.000 -6.195) 6.195 1.817 ( 0.000 0.000 0.849) 0.849 1.836 ( 0.000 0.000 1.891) 1.891 1.935 ( 0.000 0.000 -1.874) 1.874 1.965 ( 0.000 0.000 6.393) 6.393 1.990 ( 0.000 0.000 8.380) 8.380 2.127 ( 0.000 0.000 9.904) 9.904 2.159 ( 0.000 0.000 0.125) 0.125 2.206 ( 0.000 0.000 -2.604) 2.604 2.230 ( 0.000 0.000 2.593) 2.593 2.253 ( 0.000 0.000 4.026) 4.026 2.259 ( 0.000 0.000 -2.628) 2.628 2.333 ( 0.000 0.000 2.677) 2.677 2.484 ( 0.000 0.000 -1.286) 1.286 2.512 ( 0.000 0.000 -0.882) 0.882 2.537 ( 0.000 0.000 -3.097) 3.097 2.629 ( 0.000 0.000 -2.798) 2.798 2.737 ( 0.000 0.000 -3.493) 3.493 2.831 ( 0.000 0.000 -12.500) 12.500 2.835 ( 0.000 0.000 -5.287) 5.287 2.913 ( 0.000 0.000 17.838) 17.838 2.957 ( 0.000 0.000 4.832) 4.832 3.299 ( 0.000 0.000 -2.578) 2.578 3.363 ( 0.000 0.000 -0.950) 0.950 3.420 ( 0.000 0.000 5.302) 5.302 3.566 ( 0.000 0.000 -1.641) 1.641 3.587 ( 0.000 0.000 12.325) 12.325 3.589 ( 0.000 0.000 -4.068) 4.068 3.615 ( 0.000 0.000 -2.883) 2.883 3.788 ( 0.000 0.000 -0.500) 0.500 3.869 ( 0.000 0.000 -11.979) 11.979 3.921 ( 0.000 0.000 0.492) 0.492 3.989 ( 0.000 0.000 -0.535) 0.535 4.047 ( 0.000 0.000 -5.823) 5.823 4.107 ( 0.000 0.000 3.481) 3.481 4.120 ( 0.000 0.000 8.660) 8.660 4.247 ( 0.000 0.000 -13.735) 13.735 4.342 ( 0.000 0.000 -3.398) 3.398 4.412 ( 0.000 0.000 -2.688) 2.688 4.572 ( 0.000 0.000 -6.918) 6.918 4.664 ( 0.000 0.000 -4.792) 4.792 4.667 ( 0.000 0.000 5.039) 5.039 4.853 ( 0.000 0.000 -4.221) 4.221 4.961 ( 0.000 0.000 1.551) 1.551 5.021 ( 0.000 0.000 -0.796) 0.796 5.126 ( 0.000 0.000 -2.096) 2.096 5.164 ( 0.000 0.000 -2.440) 2.440 5.232 ( 0.000 0.000 -3.996) 3.996 5.254 ( 0.000 0.000 -7.794) 7.794 5.325 ( 0.000 0.000 4.302) 4.302 5.351 ( 0.000 0.000 4.266) 4.266 5.467 ( 0.000 0.000 1.072) 1.072 5.516 ( 0.000 0.000 -4.129) 4.129 5.601 ( 0.000 0.000 -2.259) 2.259 5.616 ( 0.000 0.000 1.812) 1.812 5.666 ( 0.000 0.000 0.456) 0.456 5.697 ( 0.000 0.000 -0.687) 0.687 5.747 ( 0.000 0.000 2.200) 2.200 5.824 ( 0.000 0.000 1.361) 1.361 5.902 ( 0.000 0.000 -1.367) 1.367 5.968 ( 0.000 0.000 5.563) 5.563 5.975 ( 0.000 0.000 6.387) 6.387 6.032 ( 0.000 0.000 3.355) 3.355 6.142 ( 0.000 0.000 1.179) 1.179 6.182 ( 0.000 0.000 5.628) 5.628 6.309 ( 0.000 0.000 5.627) 5.627 6.408 ( 0.000 0.000 5.991) 5.991 6.463 ( 0.000 0.000 -10.929) 10.929 6.588 ( 0.000 0.000 -2.523) 2.523 6.630 ( 0.000 0.000 0.290) 0.290 6.785 ( 0.000 0.000 -0.780) 0.780 6.812 ( 0.000 0.000 -0.029) 0.029 6.884 ( 0.000 0.000 1.217) 1.217 6.982 ( 0.000 0.000 -5.665) 5.665 7.290 ( 0.000 0.000 -17.380) 17.380 7.292 ( 0.000 0.000 -0.916) 0.916 7.416 ( 0.000 0.000 -0.388) 0.388 7.477 ( 0.000 0.000 -13.095) 13.095 7.504 ( 0.000 0.000 -1.891) 1.891 7.565 ( 0.000 0.000 1.041) 1.041 7.880 ( 0.000 0.000 5.301) 5.301 7.941 ( 0.000 0.000 11.792) 11.792 8.007 ( 0.000 0.000 8.399) 8.399 8.029 ( 0.000 0.000 -6.046) 6.046 8.129 ( 0.000 0.000 4.324) 4.324 8.281 ( 0.000 0.000 0.053) 0.053 8.467 ( 0.000 0.000 -3.457) 3.457 8.510 ( 0.000 0.000 2.892) 2.892 8.812 ( 0.000 0.000 -4.446) 4.446 8.861 ( 0.000 0.000 -4.979) 4.979 8.888 ( 0.000 0.000 -3.292) 3.292 8.899 ( 0.000 0.000 -0.977) 0.977 8.982 ( 0.000 0.000 -1.497) 1.497 9.113 ( 0.000 0.000 -8.003) 8.003 9.230 ( 0.000 0.000 8.219) 8.219 9.238 ( 0.000 0.000 15.377) 15.377 9.494 ( 0.000 0.000 -0.283) 0.283 9.588 ( 0.000 0.000 5.323) 5.323 9.754 ( 0.000 0.000 4.839) 4.839 10.086 ( 0.000 0.000 -4.278) 4.278 10.219 ( 0.000 0.000 2.044) 2.044 10.421 ( 0.000 0.000 -3.769) 3.769 10.441 ( 0.000 0.000 7.579) 7.579 11.019 ( 0.000 0.000 -6.532) 6.532 11.781 ( 0.000 0.000 2.303) 2.303 11.892 ( 0.000 0.000 4.149) 4.149 11.938 ( 0.000 0.000 -1.718) 1.718 12.183 ( 0.000 0.000 -0.222) 0.222 12.227 ( 0.000 0.000 -1.023) 1.023 12.267 ( 0.000 0.000 -6.930) 6.930 12.594 ( 0.000 0.000 3.677) 3.677 12.675 ( 0.000 0.000 -0.910) 0.910 12.782 ( 0.000 0.000 2.375) 2.375 12.832 ( 0.000 0.000 0.572) 0.572 12.887 ( 0.000 0.000 2.723) 2.723 12.902 ( 0.000 0.000 -0.241) 0.241 12.908 ( 0.000 0.000 -0.451) 0.451 13.052 ( 0.000 0.000 3.277) 3.277 13.110 ( 0.000 0.000 -3.106) 3.106 13.135 ( 0.000 0.000 3.777) 3.777 13.218 ( 0.000 0.000 -1.686) 1.686 13.446 ( 0.000 0.000 -2.632) 2.632 13.496 ( 0.000 0.000 2.340) 2.340 13.608 ( 0.000 0.000 -0.822) 0.822 13.861 ( 0.000 0.000 2.136) 2.136 14.060 ( 0.000 0.000 2.953) 2.953 14.113 ( 0.000 0.000 -3.790) 3.790 14.296 ( 0.000 0.000 -1.539) 1.539 14.311 ( 0.000 0.000 1.234) 1.234 14.327 ( 0.000 0.000 0.441) 0.441 14.623 ( 0.000 0.000 0.509) 0.509 14.666 ( 0.000 0.000 -0.598) 0.598 14.719 ( 0.000 0.000 -1.927) 1.927 14.849 ( 0.000 0.000 2.953) 2.953 14.934 ( 0.000 0.000 -8.164) 8.164 15.005 ( 0.000 0.000 -1.128) 1.128 15.045 ( 0.000 0.000 1.000) 1.000 15.173 ( 0.000 0.000 -0.070) 0.070 15.218 ( 0.000 0.000 1.710) 1.710 15.225 ( 0.000 0.000 -6.075) 6.075 15.581 ( 0.000 0.000 8.733) 8.733 15.755 ( 0.000 0.000 5.476) 5.476 15.972 ( 0.000 0.000 -3.502) 3.502 16.320 ( 0.000 0.000 -8.131) 8.131 18.713 ( 0.000 0.000 11.202) 11.202 18.786 ( 0.000 0.000 10.627) 10.627 19.655 ( 0.000 0.000 -10.802) 10.802 19.698 ( 0.000 0.000 -11.311) 11.311 20.332 ( 0.000 0.000 5.196) 5.196 20.340 ( 0.000 0.000 3.865) 3.865 20.791 ( 0.000 0.000 -5.734) 5.734 20.896 ( 0.000 0.000 -11.616) 11.616 21.325 ( 0.000 0.000 7.717) 7.717 21.399 ( 0.000 0.000 3.196) 3.196 21.467 ( 0.000 0.000 1.175) 1.175 21.467 ( 0.000 0.000 6.679) 6.679 21.468 ( 0.000 0.000 1.452) 1.452 21.665 ( 0.000 0.000 1.371) 1.371 21.786 ( 0.000 0.000 2.581) 2.581 21.842 ( 0.000 0.000 -3.006) 3.006 21.943 ( 0.000 0.000 -3.790) 3.790 22.046 ( 0.000 0.000 1.324) 1.324 22.147 ( 0.000 0.000 -3.969) 3.969 22.181 ( 0.000 0.000 -1.858) 1.858 22.260 ( 0.000 0.000 0.982) 0.982 22.399 ( 0.000 0.000 1.129) 1.129 22.422 ( 0.000 0.000 -2.511) 2.511 22.491 ( 0.000 0.000 -0.253) 0.253 23.813 ( 0.000 0.000 4.206) 4.206 24.019 ( 0.000 0.000 4.333) 4.333 24.062 ( 0.000 0.000 -8.646) 8.646 24.318 ( 0.000 0.000 -2.073) 2.073 24.381 ( 0.000 0.000 -1.628) 1.628 24.531 ( 0.000 0.000 1.411) 1.411 24.545 ( 0.000 0.000 -10.914) 10.914 24.551 ( 0.000 0.000 1.777) 1.777 24.674 ( 0.000 0.000 -1.271) 1.271 24.746 ( 0.000 0.000 -3.638) 3.638 24.748 ( 0.000 0.000 7.375) 7.375 24.909 ( 0.000 0.000 2.320) 2.320 25.364 ( 0.000 0.000 4.706) 4.706 25.463 ( 0.000 0.000 1.686) 1.686 25.490 ( 0.000 0.000 0.532) 0.532 25.527 ( 0.000 0.000 -0.646) 0.646 ======================= Grid point 36 (14/36) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 16.755 0.000 18.542) 24.990 0.856 ( 20.252 0.000 20.288) 28.666 1.188 ( 0.664 0.000 13.162) 13.178 1.337 ( 1.999 0.000 6.043) 6.365 1.351 ( 21.452 0.000 25.744) 33.511 1.439 ( -1.945 0.000 -2.105) 2.866 1.582 ( -0.420 0.000 -1.611) 1.665 1.639 ( -0.416 0.000 0.655) 0.776 1.771 ( 2.639 0.000 -3.118) 4.085 1.813 ( 0.041 0.000 0.010) 0.043 1.851 ( 1.459 0.000 2.231) 2.666 1.897 ( -8.447 0.000 13.783) 16.166 1.940 ( -2.923 0.000 2.605) 3.915 1.966 ( -1.994 0.000 8.102) 8.344 2.035 ( 2.881 0.000 2.196) 3.622 2.164 ( -0.176 0.000 -0.111) 0.208 2.179 ( -3.420 0.000 -1.466) 3.721 2.256 ( 2.638 0.000 1.797) 3.192 2.262 ( -0.696 0.000 -0.458) 0.833 2.291 ( -3.324 0.000 3.384) 4.743 2.344 ( 5.691 0.000 5.503) 7.917 2.458 ( 4.687 0.000 0.004) 4.687 2.492 ( -2.734 0.000 -0.343) 2.755 2.531 ( -2.165 0.000 -0.796) 2.307 2.595 ( -1.900 0.000 -1.349) 2.331 2.735 ( -1.563 0.000 -7.973) 8.125 2.777 ( -3.704 0.000 -9.504) 10.200 2.846 ( 4.739 0.000 -2.574) 5.393 2.913 ( -4.171 0.000 12.412) 13.094 3.096 ( 10.515 0.000 4.163) 11.309 3.311 ( -10.292 0.000 6.184) 12.007 3.367 ( -3.198 0.000 0.243) 3.207 3.369 ( 6.285 0.000 -2.247) 6.675 3.504 ( -4.267 0.000 -0.430) 4.289 3.580 ( 1.325 0.000 -3.259) 3.518 3.609 ( -0.292 0.000 2.082) 2.103 3.638 ( 2.160 0.000 -2.218) 3.096 3.765 ( -2.569 0.000 0.638) 2.647 3.864 ( -1.729 0.000 -3.860) 4.229 3.888 ( -6.564 0.000 1.043) 6.646 3.904 ( 0.400 0.000 -2.680) 2.709 4.070 ( 2.843 0.000 -6.790) 7.361 4.118 ( -0.184 0.000 -5.099) 5.102 4.183 ( 6.762 0.000 -1.469) 6.920 4.253 ( -10.826 0.000 -6.339) 12.545 4.349 ( 3.582 0.000 3.799) 5.222 4.421 ( 6.837 0.000 -0.923) 6.899 4.493 ( -4.994 0.000 -5.830) 7.677 4.663 ( 0.475 0.000 4.494) 4.519 4.761 ( 5.908 0.000 -6.035) 8.446 4.818 ( -3.476 0.000 -0.874) 3.584 4.935 ( -8.109 0.000 0.760) 8.144 4.990 ( 3.363 0.000 -1.865) 3.845 5.084 ( -3.918 0.000 -2.663) 4.737 5.120 ( -4.120 0.000 -8.551) 9.492 5.230 ( 2.745 0.000 1.081) 2.950 5.280 ( -1.990 0.000 -10.060) 10.255 5.298 ( 0.350 0.000 3.510) 3.527 5.363 ( 0.224 0.000 2.763) 2.772 5.461 ( -5.616 0.000 -0.247) 5.622 5.474 ( 1.053 0.000 1.408) 1.759 5.568 ( -3.907 0.000 -3.299) 5.113 5.613 ( -2.390 0.000 -3.940) 4.608 5.638 ( -2.382 0.000 0.877) 2.539 5.721 ( 0.258 0.000 6.638) 6.643 5.723 ( 3.226 0.000 3.493) 4.755 5.869 ( 1.443 0.000 -2.627) 2.997 5.886 ( -3.056 0.000 2.989) 4.274 5.942 ( -1.028 0.000 0.475) 1.133 5.942 ( -0.427 0.000 5.392) 5.409 6.133 ( 5.205 0.000 4.427) 6.833 6.139 ( 7.900 0.000 -2.473) 8.278 6.287 ( 0.114 0.000 6.125) 6.126 6.329 ( 5.536 0.000 -0.468) 5.556 6.451 ( 1.332 0.000 -2.517) 2.848 6.512 ( 5.323 0.000 4.528) 6.988 6.620 ( 0.897 0.000 1.675) 1.900 6.650 ( 1.290 0.000 -0.759) 1.496 6.732 ( 0.005 0.000 -6.675) 6.675 6.798 ( -5.797 0.000 0.248) 5.802 6.865 ( 1.491 0.000 0.151) 1.499 7.000 ( -1.769 0.000 -6.291) 6.535 7.199 ( -7.734 0.000 1.911) 7.967 7.242 ( -4.756 0.000 -11.499) 12.444 7.376 ( 0.445 0.000 -0.643) 0.781 7.424 ( -4.491 0.000 -0.849) 4.571 7.494 ( 0.273 0.000 -6.966) 6.972 7.564 ( -1.194 0.000 -0.011) 1.195 7.912 ( 2.904 0.000 6.676) 7.280 7.927 ( 0.079 0.000 11.055) 11.055 8.044 ( 1.105 0.000 -3.266) 3.448 8.096 ( 3.011 0.000 0.081) 3.012 8.163 ( 3.306 0.000 -0.011) 3.306 8.299 ( 3.656 0.000 2.986) 4.721 8.420 ( -2.865 0.000 11.701) 12.046 8.474 ( -2.022 0.000 -7.677) 7.939 8.639 ( -7.298 0.000 0.545) 7.319 8.751 ( -7.752 0.000 -2.823) 8.250 8.881 ( -1.366 0.000 -1.872) 2.317 8.911 ( -5.584 0.000 -0.701) 5.627 9.027 ( 4.414 0.000 5.480) 7.037 9.160 ( 7.849 0.000 -3.246) 8.493 9.191 ( -3.949 0.000 9.328) 10.130 9.341 ( 7.639 0.000 7.194) 10.493 9.448 ( -4.819 0.000 -0.074) 4.820 9.685 ( -14.650 0.000 11.434) 18.584 9.690 ( 9.579 0.000 1.188) 9.652 9.815 ( 0.114 0.000 3.209) 3.211 10.143 ( -4.869 0.000 5.223) 7.141 10.339 ( -10.572 0.000 8.278) 13.427 10.544 ( 9.953 0.000 -4.535) 10.938 10.887 ( -7.668 0.000 -4.705) 8.997 11.800 ( 1.883 0.000 2.663) 3.261 11.878 ( -1.482 0.000 3.910) 4.181 12.006 ( 6.443 0.000 -2.874) 7.055 12.184 ( -3.821 0.000 -2.405) 4.515 12.198 ( 2.434 0.000 1.105) 2.673 12.288 ( 6.064 0.000 -1.313) 6.205 12.463 ( -8.123 0.000 2.342) 8.454 12.624 ( -7.803 0.000 -1.644) 7.974 12.788 ( 0.580 0.000 2.163) 2.240 12.824 ( -1.290 0.000 1.126) 1.712 12.855 ( -0.955 0.000 1.135) 1.483 12.893 ( -0.256 0.000 1.000) 1.032 12.899 ( 0.647 0.000 1.746) 1.862 13.001 ( -3.142 0.000 3.265) 4.531 13.118 ( 0.770 0.000 -2.849) 2.951 13.123 ( 1.909 0.000 3.350) 3.856 13.296 ( 4.481 0.000 -0.703) 4.536 13.466 ( -2.979 0.000 2.519) 3.901 13.615 ( 0.659 0.000 -1.386) 1.535 13.618 ( 3.255 0.000 -5.692) 6.557 13.888 ( 1.061 0.000 1.801) 2.090 14.020 ( -3.885 0.000 3.070) 4.952 14.116 ( 2.104 0.000 -3.578) 4.151 14.265 ( -3.371 0.000 -2.030) 3.935 14.371 ( 7.556 0.000 1.222) 7.654 14.436 ( 7.460 0.000 0.079) 7.461 14.636 ( -3.267 0.000 -0.415) 3.293 14.739 ( -8.540 0.000 0.758) 8.573 14.779 ( 6.517 0.000 -0.984) 6.591 14.966 ( -0.027 0.000 -2.687) 2.687 15.011 ( 0.576 0.000 -1.717) 1.811 15.028 ( -0.251 0.000 -0.488) 0.549 15.149 ( -0.867 0.000 -1.176) 1.461 15.169 ( 14.703 0.000 -19.519) 24.437 15.228 ( 6.272 0.000 -11.782) 13.348 15.270 ( 3.966 0.000 -0.513) 3.999 15.602 ( 3.029 0.000 7.023) 7.649 15.734 ( -2.167 0.000 4.724) 5.197 16.068 ( 9.083 0.000 -11.604) 14.736 16.298 ( -2.416 0.000 -9.476) 9.780 18.724 ( 1.127 0.000 11.138) 11.195 18.777 ( -0.993 0.000 10.654) 10.700 19.610 ( -4.376 0.000 -1.860) 4.755 19.632 ( -2.161 0.000 -8.790) 9.052 20.309 ( -1.215 0.000 3.861) 4.048 20.320 ( -0.977 0.000 4.567) 4.670 20.836 ( 4.253 0.000 -6.984) 8.177 20.953 ( 1.481 0.000 -14.267) 14.344 21.347 ( 1.861 0.000 4.754) 5.105 21.395 ( -0.533 0.000 3.018) 3.065 21.461 ( 0.064 0.000 2.697) 2.698 21.467 ( -0.065 0.000 1.627) 1.629 21.497 ( 2.444 0.000 5.585) 6.097 21.627 ( -3.295 0.000 4.510) 5.585 21.792 ( 0.698 0.000 2.909) 2.992 21.849 ( -0.602 0.000 0.746) 0.958 21.942 ( -0.026 0.000 -4.044) 4.044 21.981 ( -4.039 0.000 -1.318) 4.248 22.144 ( -0.292 0.000 -4.204) 4.214 22.148 ( -1.405 0.000 -2.086) 2.515 22.290 ( 2.637 0.000 1.542) 3.055 22.382 ( -1.663 0.000 1.273) 2.095 22.466 ( 2.302 0.000 -3.713) 4.369 22.493 ( 0.049 0.000 -0.647) 0.649 23.834 ( 2.446 0.000 4.457) 5.085 24.012 ( -1.984 0.000 4.836) 5.227 24.068 ( 0.446 0.000 -6.817) 6.831 24.154 ( -12.275 0.000 5.771) 13.564 24.385 ( 0.441 0.000 -1.874) 1.925 24.393 ( -0.965 0.000 0.955) 1.357 24.546 ( 0.202 0.000 -8.524) 8.526 24.592 ( -1.348 0.000 3.908) 4.134 24.676 ( 1.197 0.000 -2.984) 3.215 24.735 ( -1.263 0.000 5.575) 5.716 24.774 ( 2.742 0.000 -1.465) 3.109 24.889 ( -2.168 0.000 1.954) 2.919 25.375 ( 1.193 0.000 4.326) 4.487 25.443 ( -1.847 0.000 2.175) 2.853 25.494 ( 0.586 0.000 0.313) 0.665 25.522 ( -0.559 0.000 -0.516) 0.761 ======================= Grid point 37 (15/36) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -14.206 0.000 11.099) 18.028 1.014 ( 14.206 0.000 11.099) 18.028 1.182 ( -14.147 0.000 11.064) 17.959 1.182 ( 14.147 0.000 11.064) 17.959 1.526 ( -4.604 0.000 -0.384) 4.620 1.526 ( 4.604 0.000 -0.384) 4.620 1.644 ( -0.003 0.000 2.992) 2.992 1.644 ( 0.003 0.000 2.992) 2.992 1.809 ( -0.671 0.000 -0.392) 0.777 1.809 ( 0.671 0.000 -0.392) 0.777 1.863 ( -2.195 0.000 8.787) 9.057 1.863 ( 2.195 0.000 8.787) 9.057 1.940 ( -0.053 0.000 4.078) 4.079 1.940 ( 0.053 0.000 4.078) 4.079 2.038 ( -3.183 0.000 8.284) 8.875 2.038 ( 3.183 0.000 8.284) 8.875 2.210 ( -1.040 0.000 1.211) 1.596 2.210 ( 1.040 0.000 1.211) 1.596 2.288 ( -0.238 0.000 1.694) 1.711 2.288 ( 0.238 0.000 1.694) 1.711 2.421 ( -3.603 0.000 -1.267) 3.819 2.421 ( 3.603 0.000 -1.267) 3.819 2.572 ( -3.159 0.000 0.674) 3.230 2.572 ( 3.159 0.000 0.674) 3.230 2.671 ( -5.052 0.000 -0.243) 5.058 2.671 ( 5.052 0.000 -0.243) 5.058 2.746 ( -9.807 0.000 -2.188) 10.048 2.746 ( 9.807 0.000 -2.188) 10.048 3.012 ( -13.867 0.000 2.559) 14.101 3.012 ( 13.867 0.000 2.559) 14.101 3.279 ( -7.525 0.000 1.941) 7.771 3.279 ( 7.525 0.000 1.941) 7.771 3.463 ( -2.233 0.000 0.671) 2.332 3.463 ( 2.233 0.000 0.671) 2.332 3.598 ( -0.086 0.000 -4.342) 4.343 3.598 ( 0.086 0.000 -4.342) 4.343 3.696 ( -2.171 0.000 0.097) 2.173 3.696 ( 2.171 0.000 0.097) 2.173 3.834 ( -0.003 0.000 1.131) 1.131 3.834 ( 0.003 0.000 1.131) 1.131 3.997 ( -9.047 0.000 -4.003) 9.893 3.997 ( 9.047 0.000 -4.003) 9.893 4.119 ( -1.183 0.000 -10.446) 10.512 4.119 ( 1.183 0.000 -10.446) 10.512 4.318 ( -2.288 0.000 -1.689) 2.843 4.318 ( 2.288 0.000 -1.689) 2.843 4.509 ( -0.068 0.000 6.612) 6.612 4.509 ( 0.068 0.000 6.612) 6.612 4.693 ( -3.192 0.000 -3.183) 4.508 4.693 ( 3.192 0.000 -3.183) 4.508 4.839 ( -0.058 0.000 0.770) 0.772 4.839 ( 0.058 0.000 0.770) 0.772 5.046 ( -2.525 0.000 -5.833) 6.356 5.046 ( 2.525 0.000 -5.833) 6.356 5.128 ( -7.699 0.000 -6.436) 10.034 5.128 ( 7.699 0.000 -6.436) 10.034 5.323 ( -1.130 0.000 -1.040) 1.536 5.323 ( 1.130 0.000 -1.040) 1.536 5.367 ( -2.605 0.000 -0.718) 2.702 5.367 ( 2.605 0.000 -0.718) 2.702 5.499 ( -2.001 0.000 2.163) 2.946 5.499 ( 2.001 0.000 2.163) 2.946 5.597 ( -0.364 0.000 -0.511) 0.627 5.597 ( 0.364 0.000 -0.511) 0.627 5.739 ( -0.351 0.000 3.735) 3.751 5.739 ( 0.351 0.000 3.735) 3.751 5.865 ( -0.091 0.000 3.686) 3.687 5.865 ( 0.091 0.000 3.686) 3.687 5.946 ( -0.007 0.000 -0.546) 0.546 5.946 ( 0.007 0.000 -0.546) 0.546 6.216 ( -0.301 0.000 -1.401) 1.433 6.216 ( 0.301 0.000 -1.401) 1.433 6.325 ( -1.005 0.000 -0.950) 1.383 6.325 ( 1.005 0.000 -0.950) 1.383 6.516 ( -3.042 0.000 8.013) 8.571 6.516 ( 3.042 0.000 8.013) 8.571 6.671 ( -2.802 0.000 3.249) 4.290 6.671 ( 2.802 0.000 3.249) 4.290 6.721 ( -0.127 0.000 -2.976) 2.978 6.721 ( 0.127 0.000 -2.976) 2.978 6.912 ( -4.356 0.000 -6.077) 7.477 6.912 ( 4.356 0.000 -6.077) 7.477 7.158 ( -1.052 0.000 -3.880) 4.020 7.158 ( 1.052 0.000 -3.880) 4.020 7.386 ( -0.218 0.000 -0.434) 0.486 7.386 ( 0.218 0.000 -0.434) 0.486 7.524 ( -2.638 0.000 -3.254) 4.189 7.524 ( 2.638 0.000 -3.254) 4.189 7.934 ( -0.020 0.000 9.857) 9.857 7.934 ( 0.020 0.000 9.857) 9.857 8.078 ( -0.770 0.000 -1.531) 1.714 8.078 ( 0.770 0.000 -1.531) 1.714 8.287 ( -8.441 0.000 -4.252) 9.451 8.287 ( 8.441 0.000 -4.252) 9.451 8.420 ( -0.014 0.000 3.198) 3.198 8.420 ( 0.014 0.000 3.198) 3.198 8.633 ( -3.869 0.000 -1.467) 4.138 8.633 ( 3.869 0.000 -1.467) 4.138 8.854 ( -0.017 0.000 0.127) 0.128 8.854 ( 0.017 0.000 0.127) 0.128 9.103 ( -3.352 0.000 10.189) 10.726 9.103 ( 3.352 0.000 10.189) 10.726 9.324 ( -8.231 0.000 -1.649) 8.394 9.324 ( 8.231 0.000 -1.649) 8.394 9.485 ( -7.139 0.000 6.892) 9.923 9.485 ( 7.139 0.000 6.892) 9.923 9.835 ( -0.587 0.000 -4.895) 4.930 9.835 ( 0.587 0.000 -4.895) 4.930 10.139 ( -4.143 0.000 11.503) 12.227 10.139 ( 4.143 0.000 11.503) 12.227 10.731 ( -8.557 0.000 -5.514) 10.179 10.731 ( 8.557 0.000 -5.514) 10.179 11.842 ( -0.920 0.000 3.369) 3.492 11.842 ( 0.920 0.000 3.369) 3.492 12.118 ( -1.386 0.000 -4.149) 4.374 12.118 ( 1.386 0.000 -4.149) 4.374 12.300 ( -6.051 0.000 2.500) 6.547 12.300 ( 6.051 0.000 2.500) 6.547 12.442 ( -9.336 0.000 -1.365) 9.435 12.442 ( 9.336 0.000 -1.365) 9.435 12.802 ( -0.101 0.000 1.688) 1.691 12.802 ( 0.101 0.000 1.688) 1.691 12.873 ( -0.326 0.000 0.328) 0.462 12.873 ( 0.326 0.000 0.328) 0.462 12.936 ( -1.552 0.000 3.161) 3.522 12.936 ( 1.552 0.000 3.161) 3.522 13.133 ( -0.036 0.000 -1.493) 1.493 13.133 ( 0.036 0.000 -1.493) 1.493 13.392 ( -4.057 0.000 2.335) 4.681 13.392 ( 4.057 0.000 2.335) 4.681 13.629 ( -0.151 0.000 -2.900) 2.904 13.629 ( 0.151 0.000 -2.900) 2.904 13.938 ( -3.602 0.000 3.077) 4.737 13.938 ( 3.602 0.000 3.077) 4.737 14.183 ( -4.082 0.000 -2.678) 4.882 14.183 ( 4.082 0.000 -2.678) 4.882 14.533 ( -6.775 0.000 0.042) 6.775 14.533 ( 6.775 0.000 0.042) 6.775 14.578 ( -7.828 0.000 0.730) 7.862 14.578 ( 7.828 0.000 0.730) 7.862 14.909 ( -5.127 0.000 -0.198) 5.131 14.909 ( 5.127 0.000 -0.198) 5.131 15.013 ( -0.030 0.000 0.109) 0.113 15.013 ( 0.030 0.000 0.109) 0.113 15.166 ( -1.185 0.000 -5.108) 5.244 15.166 ( 1.185 0.000 -5.108) 5.244 15.329 ( -0.222 0.000 -6.685) 6.689 15.329 ( 0.222 0.000 -6.685) 6.689 15.678 ( -0.794 0.000 3.430) 3.520 15.678 ( 0.794 0.000 3.430) 3.520 16.221 ( -4.547 0.000 -13.192) 13.953 16.221 ( 4.547 0.000 -13.192) 13.953 18.751 ( -0.979 0.000 10.949) 10.993 18.751 ( 0.979 0.000 10.949) 10.993 19.591 ( -0.330 0.000 -4.125) 4.138 19.591 ( 0.330 0.000 -4.125) 4.138 20.305 ( -0.026 0.000 3.503) 3.503 20.305 ( 0.026 0.000 3.503) 3.503 20.921 ( -1.841 0.000 -10.200) 10.364 20.921 ( 1.841 0.000 -10.200) 10.364 21.378 ( -0.091 0.000 2.949) 2.950 21.378 ( 0.091 0.000 2.949) 2.950 21.465 ( -0.004 0.000 2.034) 2.034 21.465 ( 0.004 0.000 2.034) 2.034 21.558 ( -3.735 0.000 6.475) 7.475 21.558 ( 3.735 0.000 6.475) 7.475 21.816 ( -1.912 0.000 3.738) 4.199 21.816 ( 1.912 0.000 3.738) 4.199 21.945 ( -0.174 0.000 -4.557) 4.560 21.945 ( 0.174 0.000 -4.557) 4.560 22.139 ( -0.004 0.000 -4.136) 4.136 22.139 ( 0.004 0.000 -4.136) 4.136 22.341 ( -1.975 0.000 1.572) 2.525 22.341 ( 1.975 0.000 1.572) 2.525 22.490 ( -0.153 0.000 -1.891) 1.897 22.490 ( 0.153 0.000 -1.891) 1.897 23.910 ( -1.961 0.000 6.331) 6.627 23.910 ( 1.961 0.000 6.331) 6.627 24.074 ( -0.031 0.000 -2.660) 2.660 24.074 ( 0.031 0.000 -2.660) 2.660 24.392 ( -0.001 0.000 -1.770) 1.770 24.392 ( 0.001 0.000 -1.770) 1.770 24.559 ( -0.711 0.000 -2.214) 2.325 24.559 ( 0.711 0.000 -2.214) 2.325 24.706 ( -0.415 0.000 1.050) 1.129 24.706 ( 0.415 0.000 1.050) 1.129 24.834 ( -3.409 0.000 0.841) 3.511 24.834 ( 3.409 0.000 0.841) 3.511 25.406 ( -1.475 0.000 3.295) 3.610 25.406 ( 1.475 0.000 3.295) 3.610 25.508 ( -0.467 0.000 -0.175) 0.498 25.508 ( 0.467 0.000 -0.175) 0.498 ======================= Grid point 40 (16/36) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 0.000 16.806 20.404) 26.434 0.909 ( 0.000 19.479 17.941) 26.482 1.318 ( 0.000 20.560 14.915) 25.400 1.360 ( 0.000 2.955 2.862) 4.113 1.432 ( 0.000 10.873 13.649) 17.450 1.507 ( 0.000 8.397 5.384) 9.975 1.571 ( 0.000 -0.776 -2.783) 2.889 1.734 ( 0.000 -0.241 -1.131) 1.157 1.789 ( 0.000 8.132 1.111) 8.208 1.844 ( 0.000 2.198 1.638) 2.741 1.867 ( 0.000 -0.706 -1.424) 1.590 1.904 ( 0.000 2.348 0.445) 2.390 1.935 ( 0.000 2.630 4.042) 4.822 2.064 ( 0.000 -1.570 13.714) 13.804 2.095 ( 0.000 -5.325 -0.298) 5.333 2.115 ( 0.000 5.074 9.854) 11.083 2.208 ( 0.000 1.016 -0.765) 1.272 2.222 ( 0.000 2.598 0.854) 2.734 2.236 ( 0.000 3.059 1.680) 3.490 2.335 ( 0.000 3.645 1.000) 3.780 2.371 ( 0.000 2.897 1.033) 3.075 2.435 ( 0.000 -4.020 1.295) 4.224 2.530 ( 0.000 -5.499 -2.578) 6.073 2.562 ( 0.000 0.246 2.970) 2.980 2.603 ( 0.000 1.315 -2.402) 2.738 2.699 ( 0.000 -1.056 -0.253) 1.086 2.713 ( 0.000 1.352 4.155) 4.370 2.855 ( 0.000 4.534 -5.034) 6.775 3.078 ( 0.000 3.089 -3.063) 4.350 3.173 ( 0.000 9.014 5.495) 10.557 3.233 ( 0.000 4.409 -3.680) 5.743 3.330 ( 0.000 0.004 -1.619) 1.619 3.379 ( 0.000 -5.973 0.034) 5.973 3.483 ( 0.000 -6.346 -2.476) 6.812 3.519 ( 0.000 -8.281 -2.058) 8.532 3.579 ( 0.000 1.663 0.137) 1.669 3.637 ( 0.000 -2.565 4.524) 5.201 3.735 ( 0.000 -4.217 -0.381) 4.235 3.815 ( 0.000 -1.281 -0.781) 1.500 3.826 ( 0.000 -3.664 5.508) 6.615 3.993 ( 0.000 -6.724 3.579) 7.617 4.011 ( 0.000 -3.291 1.456) 3.598 4.076 ( 0.000 0.634 -2.986) 3.053 4.092 ( 0.000 1.659 -4.057) 4.383 4.252 ( 0.000 -0.485 -10.261) 10.272 4.388 ( 0.000 7.003 -1.338) 7.130 4.477 ( 0.000 2.340 -5.261) 5.758 4.616 ( 0.000 2.212 -6.991) 7.333 4.640 ( 0.000 -6.441 -5.610) 8.541 4.809 ( 0.000 9.675 -2.943) 10.113 4.858 ( 0.000 -4.354 -4.005) 5.916 4.977 ( 0.000 1.408 -0.584) 1.524 5.039 ( 0.000 6.141 2.579) 6.660 5.052 ( 0.000 -5.439 -3.408) 6.418 5.093 ( 0.000 1.242 -2.769) 3.035 5.189 ( 0.000 -3.781 -3.924) 5.450 5.263 ( 0.000 2.766 0.719) 2.858 5.330 ( 0.000 -3.257 -5.607) 6.484 5.430 ( 0.000 3.396 3.823) 5.113 5.454 ( 0.000 2.595 3.037) 3.995 5.520 ( 0.000 1.299 0.762) 1.506 5.551 ( 0.000 -3.648 -2.416) 4.375 5.656 ( 0.000 2.951 -0.340) 2.970 5.700 ( 0.000 -0.801 2.827) 2.938 5.728 ( 0.000 5.024 0.022) 5.024 5.794 ( 0.000 -1.488 1.665) 2.233 5.824 ( 0.000 2.239 -0.918) 2.419 5.886 ( 0.000 -2.094 -4.671) 5.119 5.940 ( 0.000 4.727 3.651) 5.973 5.978 ( 0.000 -3.244 4.766) 5.766 6.136 ( 0.000 -3.092 4.251) 5.257 6.162 ( 0.000 -0.174 3.264) 3.269 6.184 ( 0.000 11.310 5.416) 12.540 6.343 ( 0.000 2.250 4.630) 5.147 6.436 ( 0.000 -1.622 5.217) 5.464 6.449 ( 0.000 0.698 -7.467) 7.499 6.541 ( 0.000 -0.625 2.352) 2.433 6.652 ( 0.000 3.517 2.195) 4.145 6.732 ( 0.000 -4.002 -1.165) 4.168 6.891 ( 0.000 -0.779 3.194) 3.288 6.933 ( 0.000 9.021 2.411) 9.338 6.945 ( 0.000 -6.761 -5.457) 8.689 7.167 ( 0.000 2.173 -8.093) 8.380 7.338 ( 0.000 -0.230 -6.481) 6.485 7.371 ( 0.000 -4.260 -4.464) 6.170 7.545 ( 0.000 2.247 -4.616) 5.134 7.556 ( 0.000 3.756 0.927) 3.869 7.622 ( 0.000 8.219 -9.132) 12.286 7.821 ( 0.000 -2.183 10.664) 10.885 7.839 ( 0.000 -8.213 -3.192) 8.812 8.028 ( 0.000 4.839 5.146) 7.064 8.050 ( 0.000 1.137 6.460) 6.560 8.172 ( 0.000 4.680 2.739) 5.423 8.327 ( 0.000 -6.008 11.179) 12.691 8.452 ( 0.000 -1.470 -2.892) 3.245 8.498 ( 0.000 5.906 -4.530) 7.443 8.776 ( 0.000 -3.943 -7.683) 8.635 8.794 ( 0.000 -0.742 -6.110) 6.155 8.842 ( 0.000 -2.419 1.182) 2.692 8.887 ( 0.000 -2.786 1.110) 2.999 8.992 ( 0.000 0.185 -2.567) 2.574 9.119 ( 0.000 -0.044 -7.388) 7.388 9.260 ( 0.000 2.410 8.833) 9.156 9.292 ( 0.000 3.492 8.854) 9.518 9.452 ( 0.000 -3.879 0.356) 3.895 9.527 ( 0.000 -3.797 2.777) 4.705 9.672 ( 0.000 -5.848 6.136) 8.476 9.802 ( 0.000 -8.051 11.873) 14.345 10.074 ( 0.000 -11.242 3.184) 11.684 10.309 ( 0.000 -10.359 -3.818) 11.040 10.481 ( 0.000 1.828 5.819) 6.099 10.883 ( 0.000 -8.296 -1.708) 8.470 11.757 ( 0.000 -1.885 0.588) 1.974 11.903 ( 0.000 0.867 4.838) 4.915 11.904 ( 0.000 -2.881 -2.957) 4.128 12.128 ( 0.000 -1.214 -3.541) 3.743 12.212 ( 0.000 -2.473 0.571) 2.538 12.385 ( 0.000 -6.551 -5.173) 8.347 12.506 ( 0.000 -12.439 0.356) 12.445 12.509 ( 0.000 -6.144 1.410) 6.304 12.668 ( 0.000 -5.296 1.048) 5.398 12.782 ( 0.000 0.152 -0.345) 0.377 12.845 ( 0.000 -0.660 3.122) 3.191 12.924 ( 0.000 2.305 0.813) 2.444 12.988 ( 0.000 -3.143 3.018) 4.357 13.046 ( 0.000 7.024 0.895) 7.081 13.187 ( 0.000 8.229 -0.685) 8.258 13.253 ( 0.000 3.697 -1.784) 4.105 13.259 ( 0.000 6.389 0.585) 6.415 13.467 ( 0.000 1.640 -3.635) 3.988 13.513 ( 0.000 1.261 3.339) 3.569 13.621 ( 0.000 0.957 -0.104) 0.963 13.895 ( 0.000 2.986 1.991) 3.589 14.057 ( 0.000 -0.680 1.742) 1.870 14.131 ( 0.000 1.557 -2.694) 3.112 14.276 ( 0.000 -1.108 -2.801) 3.012 14.306 ( 0.000 0.315 1.041) 1.088 14.363 ( 0.000 2.022 0.024) 2.022 14.548 ( 0.000 -4.370 0.247) 4.377 14.636 ( 0.000 -6.803 4.742) 8.292 14.659 ( 0.000 -4.401 -2.499) 5.061 14.782 ( 0.000 3.221 2.637) 4.162 14.944 ( 0.000 -0.233 -5.792) 5.797 15.164 ( 0.000 -4.133 -4.600) 6.184 15.183 ( 0.000 3.068 0.790) 3.168 15.230 ( 0.000 2.385 3.420) 4.170 15.332 ( 0.000 15.969 -0.961) 15.998 15.539 ( 0.000 4.459 0.544) 4.492 15.675 ( 0.000 19.330 -21.211) 28.698 15.919 ( 0.000 11.151 -0.465) 11.161 15.970 ( 0.000 -0.045 -4.150) 4.150 16.303 ( 0.000 -1.712 -6.665) 6.881 18.756 ( 0.000 3.908 10.536) 11.238 18.840 ( 0.000 4.990 11.009) 12.087 19.557 ( 0.000 -9.742 1.100) 9.804 19.674 ( 0.000 -0.235 -4.850) 4.856 20.180 ( 0.000 -5.269 -4.418) 6.876 20.372 ( 0.000 -0.590 3.238) 3.291 20.735 ( 0.000 -5.677 -6.247) 8.442 20.863 ( 0.000 -3.838 -12.919) 13.477 21.120 ( 0.000 -10.956 3.341) 11.454 21.317 ( 0.000 -5.675 -3.893) 6.882 21.452 ( 0.000 -0.632 7.066) 7.094 21.504 ( 0.000 4.073 7.746) 8.752 21.527 ( 0.000 -1.201 2.540) 2.810 21.640 ( 0.000 -0.031 5.657) 5.657 21.825 ( 0.000 -1.588 -2.239) 2.745 21.834 ( 0.000 -0.650 3.001) 3.071 21.972 ( 0.000 3.111 -3.481) 4.669 22.103 ( 0.000 4.003 1.252) 4.195 22.117 ( 0.000 -1.764 -4.043) 4.411 22.191 ( 0.000 0.394 -1.731) 1.775 22.326 ( 0.000 4.872 1.458) 5.085 22.366 ( 0.000 -2.832 0.600) 2.895 22.453 ( 0.000 1.913 -1.625) 2.510 22.517 ( 0.000 1.819 -0.833) 2.001 23.806 ( 0.000 1.040 1.671) 1.968 24.031 ( 0.000 -0.436 5.269) 5.287 24.034 ( 0.000 -2.502 -5.859) 6.370 24.234 ( 0.000 -5.677 -3.503) 6.671 24.323 ( 0.000 -5.431 12.112) 13.274 24.435 ( 0.000 2.815 -1.328) 3.113 24.537 ( 0.000 0.447 1.242) 1.320 24.552 ( 0.000 -0.443 -12.836) 12.844 24.662 ( 0.000 -2.693 -1.441) 3.055 24.673 ( 0.000 -0.095 -1.304) 1.307 24.801 ( 0.000 0.499 2.782) 2.827 24.883 ( 0.000 -2.754 1.468) 3.121 25.407 ( 0.000 1.869 4.636) 4.998 25.479 ( 0.000 1.334 0.915) 1.618 25.530 ( 0.000 3.685 1.202) 3.876 25.559 ( 0.000 2.709 0.548) 2.764 ======================= Grid point 41 (17/36) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 17.635 13.147 13.259) 25.683 1.034 ( 12.267 15.954 14.565) 24.842 1.304 ( 0.447 4.386 7.318) 8.543 1.365 ( -1.350 7.958 6.673) 10.473 1.470 ( -1.595 4.558 -0.777) 4.891 1.555 ( 4.511 8.373 8.226) 12.575 1.582 ( 0.167 1.861 1.632) 2.481 1.782 ( 3.521 4.463 -1.115) 5.793 1.802 ( 2.711 6.112 2.320) 7.078 1.835 ( -1.623 0.628 2.004) 2.655 1.858 ( -7.352 -1.607 5.370) 9.245 1.892 ( 2.196 2.620 0.489) 3.454 1.942 ( 3.602 5.611 3.043) 7.329 2.037 ( 1.415 1.158 8.468) 8.663 2.084 ( 1.529 7.205 8.064) 10.921 2.127 ( 0.429 -1.580 2.954) 3.377 2.216 ( 0.921 1.267 -0.209) 1.580 2.257 ( 2.056 0.750 1.574) 2.696 2.306 ( 3.378 4.782 3.703) 6.928 2.357 ( 2.195 1.688 3.358) 4.353 2.366 ( 3.322 2.909 2.339) 4.997 2.442 ( -1.772 0.405 1.466) 2.335 2.489 ( -2.968 0.965 2.030) 3.723 2.522 ( 0.236 -0.544 -3.241) 3.295 2.600 ( -2.505 3.502 -2.403) 4.931 2.658 ( 1.095 -3.427 -2.562) 4.417 2.806 ( 1.925 2.888 -2.161) 4.089 2.825 ( 1.779 0.340 1.507) 2.356 3.018 ( -4.525 5.542 1.285) 7.269 3.230 ( -1.395 7.417 2.610) 7.985 3.266 ( 3.162 -3.962 -0.701) 5.117 3.332 ( -1.198 -3.922 0.737) 4.166 3.380 ( 1.864 4.022 2.807) 5.247 3.481 ( 0.019 -7.668 -2.748) 8.146 3.502 ( -4.719 -0.147 -0.828) 4.793 3.549 ( -0.998 -5.121 -1.856) 5.538 3.633 ( -0.276 -1.166 1.042) 1.588 3.728 ( -2.936 -3.038 3.233) 5.320 3.772 ( -0.280 -3.666 0.433) 3.702 3.838 ( -0.484 -3.399 -1.076) 3.598 3.927 ( -2.283 -0.427 -1.484) 2.756 4.013 ( 0.511 -3.691 -2.080) 4.267 4.088 ( 2.526 -3.337 -3.059) 5.184 4.134 ( 0.277 0.764 -4.735) 4.804 4.299 ( -2.632 -1.639 -5.640) 6.436 4.309 ( -2.166 0.662 -2.335) 3.253 4.446 ( 0.606 4.327 -1.275) 4.552 4.553 ( -0.087 -1.617 -6.211) 6.418 4.675 ( -1.820 -2.187 -2.569) 3.833 4.777 ( -6.063 -1.294 -2.062) 6.534 4.835 ( -0.022 -0.205 -3.294) 3.301 4.920 ( -7.687 0.879 1.374) 7.858 4.993 ( -1.191 0.183 -2.504) 2.779 5.082 ( 1.923 -1.364 -4.691) 5.250 5.112 ( 1.296 2.824 -3.640) 4.786 5.184 ( 0.221 0.242 -1.510) 1.545 5.247 ( -0.017 0.805 -1.942) 2.103 5.322 ( -0.912 -0.962 -4.889) 5.066 5.366 ( -3.714 1.219 1.579) 4.216 5.485 ( 1.181 6.109 0.747) 6.266 5.532 ( 2.181 2.447 1.628) 3.660 5.571 ( 0.900 -1.473 -1.024) 2.007 5.634 ( -1.558 2.452 -0.569) 2.960 5.706 ( -0.354 2.628 1.940) 3.285 5.746 ( -2.587 3.109 4.962) 6.401 5.753 ( -2.383 0.147 0.999) 2.588 5.800 ( 1.195 -0.218 -0.956) 1.546 5.870 ( -0.498 0.718 2.007) 2.189 5.934 ( 0.255 -1.722 -2.139) 2.757 6.041 ( -4.421 2.210 1.998) 5.331 6.090 ( 5.177 -1.839 1.143) 5.611 6.228 ( 4.687 3.510 3.975) 7.077 6.271 ( 6.094 2.740 5.066) 8.385 6.382 ( 5.207 1.987 1.582) 5.793 6.434 ( 0.889 -1.616 2.562) 3.157 6.527 ( 3.550 -0.575 2.743) 4.523 6.585 ( 3.795 0.940 0.483) 3.939 6.667 ( 2.015 1.516 -0.007) 2.521 6.739 ( -0.379 -0.977 -1.656) 1.960 6.804 ( -4.807 -0.669 -1.415) 5.055 6.907 ( -2.252 4.594 -0.008) 5.116 6.987 ( 0.202 -1.870 -2.447) 3.086 7.097 ( -6.357 -3.383 -4.945) 8.735 7.229 ( -5.726 2.593 1.758) 6.527 7.385 ( -0.213 -1.049 -8.579) 8.645 7.491 ( -4.343 4.720 -0.202) 6.417 7.566 ( 1.269 1.345 -2.784) 3.342 7.622 ( -0.972 7.125 -6.068) 9.409 7.820 ( 0.497 -4.483 8.106) 9.277 7.921 ( 5.322 -6.033 -0.716) 8.077 7.968 ( -0.843 0.571 6.418) 6.498 8.121 ( 0.820 -1.139 2.708) 3.051 8.215 ( 6.369 7.112 -1.663) 9.690 8.349 ( 1.899 -1.746 8.888) 9.255 8.455 ( -2.173 4.466 -1.039) 5.074 8.507 ( 0.220 2.701 -7.241) 7.731 8.617 ( -7.198 -1.798 -0.918) 7.475 8.714 ( -4.430 -0.573 -3.494) 5.671 8.846 ( 0.184 -2.000 -0.439) 2.056 8.941 ( -3.771 0.750 -3.681) 5.323 9.030 ( 3.668 -0.098 2.923) 4.692 9.129 ( 3.858 -1.807 -0.931) 4.361 9.240 ( -1.332 2.522 5.529) 6.222 9.351 ( 4.574 0.235 5.582) 7.221 9.416 ( -3.626 -2.642 1.090) 4.617 9.564 ( -0.083 -4.801 5.520) 7.316 9.665 ( 0.274 -5.377 3.285) 6.307 9.805 ( 4.174 -0.642 4.359) 6.069 10.012 ( -3.826 -10.120 6.523) 12.633 10.320 ( -5.334 -5.188 4.610) 8.753 10.489 ( 5.452 -2.917 -2.228) 6.572 10.812 ( -6.340 -6.553 -3.284) 9.691 11.770 ( 1.092 -2.205 0.490) 2.509 11.898 ( -0.313 1.335 5.300) 5.475 11.950 ( 3.630 -3.781 -4.512) 6.916 12.146 ( 2.373 -0.589 -1.971) 3.141 12.226 ( 0.558 -3.981 0.262) 4.028 12.290 ( -3.269 -3.349 -0.688) 4.730 12.435 ( -5.444 -5.926 0.601) 8.070 12.488 ( -3.770 -9.114 1.212) 9.937 12.678 ( 1.354 -4.487 1.052) 4.804 12.755 ( -1.535 -1.351 -0.889) 2.229 12.807 ( -2.936 -2.412 1.407) 4.051 12.859 ( -5.182 0.178 1.691) 5.454 13.022 ( 3.591 4.846 2.503) 6.530 13.103 ( 1.454 5.897 1.815) 6.339 13.178 ( -0.072 7.864 -1.863) 8.082 13.259 ( 0.110 5.920 -0.226) 5.926 13.297 ( 3.661 1.166 -0.386) 3.861 13.480 ( -2.260 1.538 3.364) 4.335 13.563 ( 3.911 -2.371 -4.531) 6.438 13.638 ( 1.492 1.221 -0.457) 1.981 13.905 ( 0.705 1.796 1.821) 2.653 14.025 ( -3.155 0.266 2.984) 4.351 14.123 ( 1.351 0.548 -3.917) 4.180 14.271 ( -1.330 0.026 -2.278) 2.638 14.331 ( 2.920 -2.279 1.510) 4.000 14.439 ( 7.491 0.546 -0.559) 7.531 14.574 ( -2.715 -6.470 3.364) 7.781 14.690 ( -0.235 -1.940 -0.064) 1.955 14.721 ( 6.468 -5.242 -1.047) 8.391 14.756 ( 3.871 -3.316 -0.776) 5.156 14.928 ( -2.264 -1.254 -2.522) 3.613 15.091 ( -5.674 -3.001 -1.608) 6.617 15.188 ( -0.402 3.728 1.390) 3.999 15.236 ( 1.033 3.289 0.273) 3.459 15.393 ( 4.736 12.192 -0.613) 13.094 15.527 ( -1.471 4.920 1.076) 5.247 15.668 ( -0.586 13.224 -15.120) 20.096 15.904 ( -0.642 9.341 2.915) 9.806 16.068 ( 7.421 0.272 -13.026) 14.994 16.288 ( -1.544 -1.182 -7.555) 7.801 18.765 ( 0.813 3.742 10.245) 10.937 18.833 ( -0.754 5.040 11.331) 12.425 19.524 ( -2.241 -6.569 -1.171) 7.039 19.654 ( -1.549 -0.250 -0.234) 1.586 20.179 ( -0.047 -5.143 -4.564) 6.876 20.363 ( -0.668 -0.197 3.036) 3.115 20.767 ( 2.754 -6.355 -7.525) 10.227 20.906 ( 2.965 -6.014 -14.665) 16.125 21.120 ( -0.012 -9.797 4.094) 10.618 21.321 ( 0.385 -5.780 -3.246) 6.640 21.430 ( -2.267 -3.116 5.211) 6.481 21.486 ( -0.286 1.729 7.502) 7.704 21.553 ( 1.274 0.545 3.563) 3.823 21.638 ( -0.222 1.471 6.420) 6.590 21.812 ( -0.464 -0.423 1.123) 1.286 21.834 ( -0.728 -1.673 2.673) 3.236 21.984 ( 1.238 3.767 -3.621) 5.370 22.059 ( -3.119 5.061 -1.627) 6.163 22.111 ( -0.912 -1.329 -3.711) 4.046 22.177 ( -0.805 1.357 -2.029) 2.570 22.321 ( -0.274 0.531 1.495) 1.610 22.379 ( 0.906 0.918 1.336) 1.857 22.466 ( 0.910 0.605 -1.087) 1.541 22.506 ( -0.868 1.121 -0.502) 1.504 23.821 ( 1.289 1.132 0.054) 1.717 24.002 ( -1.117 -3.973 -0.289) 4.137 24.071 ( 1.931 0.653 -0.147) 2.044 24.196 ( -4.938 3.881 5.050) 8.059 24.271 ( -0.818 -5.788 1.107) 5.949 24.457 ( 1.074 2.762 -1.340) 3.253 24.537 ( -0.149 -0.298 -4.104) 4.118 24.581 ( 0.656 -1.096 -2.615) 2.911 24.641 ( 0.100 -1.184 -3.076) 3.298 24.704 ( 2.482 -1.836 -0.253) 3.097 24.796 ( -0.493 0.074 1.174) 1.276 24.858 ( -2.431 -2.719 1.243) 3.853 25.408 ( 0.235 1.924 4.187) 4.613 25.472 ( -0.752 2.368 2.220) 3.332 25.519 ( -0.534 2.752 0.572) 2.861 25.552 ( -0.652 2.603 0.541) 2.737 ======================= Grid point 42 (18/36) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( -0.000 9.016 4.172) 9.935 1.260 ( 0.000 10.415 9.537) 14.122 1.261 ( -0.000 8.828 7.832) 11.801 1.333 ( 0.000 12.222 12.117) 17.211 1.483 ( 0.000 0.050 -0.840) 0.841 1.488 ( -0.000 0.487 1.818) 1.882 1.585 ( 0.000 -0.679 -1.232) 1.407 1.750 ( 0.000 -2.105 8.902) 9.148 1.813 ( 0.000 -0.479 -1.703) 1.769 1.828 ( 0.000 4.661 3.573) 5.873 1.876 ( -0.000 4.802 4.529) 6.600 1.928 ( 0.000 3.083 1.782) 3.561 1.956 ( 0.000 2.775 1.729) 3.270 2.063 ( 0.000 5.454 9.396) 10.864 2.123 ( -0.000 9.382 0.483) 9.395 2.171 ( 0.000 1.433 1.482) 2.062 2.244 ( 0.000 2.082 5.710) 6.078 2.250 ( -0.000 0.005 1.751) 1.751 2.323 ( -0.000 8.147 1.948) 8.377 2.340 ( 0.000 2.867 3.939) 4.873 2.410 ( 0.000 -1.095 3.871) 4.023 2.423 ( -0.000 2.563 -1.083) 2.782 2.511 ( -0.000 -3.578 -1.029) 3.723 2.531 ( 0.000 7.003 -1.901) 7.257 2.632 ( 0.000 2.224 3.130) 3.840 2.714 ( 0.000 0.011 -1.784) 1.784 2.803 ( -0.000 6.919 0.792) 6.964 2.855 ( 0.000 5.651 1.884) 5.957 3.019 ( -0.000 2.846 5.702) 6.373 3.048 ( 0.000 1.251 0.216) 1.269 3.242 ( 0.000 -2.903 -1.894) 3.466 3.328 ( -0.000 0.074 2.060) 2.061 3.416 ( -0.000 -4.371 1.364) 4.579 3.483 ( 0.000 -5.708 7.326) 9.287 3.514 ( 0.000 -5.095 -0.293) 5.103 3.527 ( -0.000 -0.095 -5.529) 5.530 3.615 ( 0.000 -1.612 -0.863) 1.829 3.715 ( 0.000 -0.481 0.218) 0.529 3.741 ( 0.000 -0.205 -2.295) 2.304 3.823 ( 0.000 -6.246 1.084) 6.339 3.932 ( 0.000 -2.495 -3.556) 4.344 4.060 ( -0.000 -3.519 -8.068) 8.802 4.062 ( 0.000 -3.244 -6.972) 7.689 4.108 ( 0.000 3.211 -1.492) 3.541 4.251 ( 0.000 5.018 -4.498) 6.739 4.308 ( 0.000 -9.360 -4.148) 10.238 4.554 ( -0.000 -3.875 1.879) 4.306 4.566 ( 0.000 8.019 2.330) 8.351 4.618 ( 0.000 -4.925 -3.102) 5.820 4.676 ( 0.000 -2.308 -5.945) 6.377 4.801 ( 0.000 -5.396 -1.215) 5.531 4.824 ( 0.000 -3.551 4.027) 5.369 5.001 ( 0.000 -0.754 -4.804) 4.862 5.066 ( 0.000 1.674 -6.526) 6.738 5.169 ( 0.000 0.360 -5.145) 5.158 5.200 ( 0.000 5.795 -0.595) 5.826 5.228 ( 0.000 1.378 -4.042) 4.271 5.313 ( 0.000 0.671 -2.922) 2.998 5.335 ( 0.000 2.276 -2.173) 3.147 5.503 ( 0.000 5.247 2.206) 5.692 5.577 ( -0.000 4.833 -2.145) 5.288 5.579 ( 0.000 2.091 -0.468) 2.143 5.611 ( 0.000 4.871 -0.157) 4.873 5.643 ( -0.000 -0.252 3.300) 3.310 5.720 ( 0.000 0.639 5.838) 5.873 5.745 ( 0.000 -0.501 3.419) 3.456 5.831 ( 0.000 3.791 -1.273) 3.999 5.864 ( 0.000 -1.076 0.178) 1.091 5.925 ( 0.000 -0.050 0.485) 0.488 6.002 ( 0.000 0.257 1.482) 1.504 6.142 ( 0.000 -4.059 -0.815) 4.140 6.260 ( 0.000 0.183 0.247) 0.308 6.378 ( 0.000 8.121 5.624) 9.878 6.414 ( -0.000 -3.576 6.753) 7.641 6.520 ( 0.000 6.657 -1.937) 6.933 6.526 ( -0.000 -0.200 6.605) 6.608 6.626 ( 0.000 -0.824 -1.530) 1.738 6.657 ( -0.000 -1.256 6.064) 6.192 6.716 ( 0.000 -0.067 -6.922) 6.922 6.806 ( 0.000 2.644 -1.022) 2.834 6.867 ( 0.000 -3.422 -3.148) 4.650 6.960 ( 0.000 5.446 -6.510) 8.487 7.029 ( 0.000 -5.112 1.554) 5.343 7.174 ( 0.000 1.260 2.807) 3.077 7.386 ( 0.000 -0.265 -7.775) 7.780 7.446 ( 0.000 4.505 -0.776) 4.571 7.582 ( -0.000 3.636 -3.748) 5.222 7.605 ( 0.000 4.167 -0.095) 4.168 7.807 ( 0.000 -6.265 4.483) 7.703 7.980 ( 0.000 -0.403 10.790) 10.798 7.985 ( 0.000 -3.347 -2.048) 3.924 8.164 ( 0.000 0.076 1.784) 1.785 8.295 ( -0.000 3.831 -2.349) 4.494 8.298 ( 0.000 1.295 -5.038) 5.202 8.412 ( 0.000 2.170 2.936) 3.651 8.510 ( 0.000 0.993 -9.378) 9.431 8.604 ( 0.000 1.387 5.307) 5.485 8.664 ( 0.000 3.160 -4.149) 5.215 8.840 ( 0.000 -0.983 2.240) 2.447 8.889 ( 0.000 1.660 -4.986) 5.255 9.069 ( 0.000 -0.972 8.889) 8.942 9.145 ( 0.000 0.602 5.055) 5.091 9.305 ( 0.000 -1.464 1.037) 1.794 9.307 ( -0.000 -2.352 -2.192) 3.215 9.436 ( -0.000 -1.586 4.409) 4.685 9.508 ( 0.000 -0.099 10.001) 10.002 9.701 ( 0.000 -7.221 -4.280) 8.394 9.859 ( 0.000 -4.742 -1.275) 4.911 10.017 ( 0.000 -4.585 8.206) 9.400 10.193 ( 0.000 0.203 11.482) 11.484 10.608 ( 0.000 -8.586 -7.323) 11.285 10.703 ( 0.000 -4.310 -2.757) 5.116 11.783 ( 0.000 -2.727 0.255) 2.739 11.894 ( 0.000 2.280 6.002) 6.420 11.988 ( 0.000 -5.024 -6.454) 8.179 12.177 ( 0.000 -2.466 1.701) 2.995 12.246 ( 0.000 -1.669 -2.660) 3.140 12.322 ( -0.000 -9.082 -1.529) 9.210 12.342 ( 0.000 -2.890 2.680) 3.941 12.408 ( 0.000 -4.623 1.717) 4.931 12.713 ( 0.000 -1.212 -0.520) 1.319 12.740 ( 0.000 -4.465 1.615) 4.749 12.745 ( 0.000 -3.819 -0.616) 3.868 12.819 ( 0.000 -2.073 2.301) 3.097 13.073 ( -0.000 7.158 1.742) 7.367 13.090 ( 0.000 7.449 2.997) 8.029 13.182 ( 0.000 6.655 -3.224) 7.395 13.260 ( 0.000 5.925 -0.609) 5.957 13.353 ( 0.000 -1.526 0.268) 1.549 13.440 ( 0.000 3.378 4.756) 5.834 13.592 ( 0.000 -1.927 -4.554) 4.944 13.654 ( 0.000 1.299 -1.071) 1.684 13.927 ( 0.000 0.237 1.716) 1.733 13.974 ( 0.000 1.831 3.999) 4.398 14.163 ( 0.000 -0.745 -4.816) 4.873 14.225 ( -0.000 2.309 -2.144) 3.151 14.405 ( 0.000 -7.665 0.754) 7.702 14.508 ( 0.000 -4.663 5.591) 7.280 14.574 ( -0.000 0.511 -2.185) 2.244 14.605 ( 0.000 2.525 0.878) 2.673 14.797 ( 0.000 -5.893 -2.454) 6.383 14.867 ( 0.000 -2.515 0.750) 2.624 14.888 ( -0.000 -5.904 -3.684) 6.959 15.001 ( 0.000 -5.052 1.018) 5.153 15.188 ( 0.000 4.203 1.015) 4.324 15.245 ( 0.000 4.584 0.400) 4.602 15.466 ( 0.000 10.845 -3.709) 11.462 15.488 ( -0.000 5.844 4.018) 7.092 15.661 ( 0.000 8.729 -11.247) 14.237 15.898 ( 0.000 9.472 3.485) 10.092 16.157 ( 0.000 -2.915 -14.344) 14.637 16.261 ( 0.000 0.465 -8.875) 8.887 18.777 ( -0.000 3.340 9.591) 10.156 18.821 ( 0.000 5.378 12.052) 13.198 19.503 ( 0.000 -4.945 -4.055) 6.395 19.636 ( 0.000 -0.317 3.620) 3.634 20.179 ( 0.000 -5.053 -4.679) 6.886 20.356 ( 0.000 0.026 2.837) 2.837 20.801 ( 0.000 -7.388 -9.181) 11.784 20.935 ( 0.000 -6.402 -14.974) 16.285 21.119 ( 0.000 -8.224 4.827) 9.536 21.328 ( 0.000 -5.893 -2.715) 6.488 21.400 ( 0.000 -5.473 4.660) 7.188 21.487 ( 0.000 0.676 7.012) 7.045 21.564 ( 0.000 0.009 3.692) 3.692 21.635 ( 0.000 3.470 7.417) 8.188 21.815 ( -0.000 -0.784 3.097) 3.195 21.816 ( 0.000 -0.728 2.972) 3.060 22.009 ( -0.000 3.811 -2.585) 4.605 22.017 ( 0.000 6.920 -3.683) 7.839 22.099 ( 0.000 -2.211 -5.170) 5.623 22.170 ( 0.000 1.569 -2.476) 2.931 22.318 ( 0.000 -1.900 1.447) 2.388 22.389 ( 0.000 3.027 2.022) 3.640 22.476 ( 0.000 0.083 -0.514) 0.521 22.495 ( 0.000 0.337 -0.543) 0.639 23.837 ( 0.000 0.863 -1.270) 1.535 23.991 ( 0.000 -4.749 -0.699) 4.800 24.096 ( 0.000 0.464 -0.584) 0.746 24.134 ( -0.000 10.183 8.757) 13.431 24.271 ( 0.000 -6.770 -2.973) 7.394 24.468 ( 0.000 2.932 -2.277) 3.712 24.538 ( 0.000 -0.199 0.129) 0.237 24.569 ( 0.000 -0.586 -5.599) 5.630 24.655 ( 0.000 -0.646 -0.306) 0.715 24.742 ( 0.000 -0.965 0.114) 0.971 24.794 ( 0.000 -3.618 -1.905) 4.088 24.816 ( 0.000 -1.079 1.607) 1.936 25.413 ( 0.000 1.291 2.858) 3.136 25.460 ( 0.000 3.973 4.421) 5.944 25.516 ( 0.000 1.403 -0.604) 1.528 25.543 ( 0.000 2.652 0.761) 2.759 ======================= Grid point 45 (19/36) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( 0.000 15.173 7.480) 16.917 1.207 ( 0.000 9.055 8.481) 12.406 1.403 ( 0.000 2.085 2.391) 3.172 1.428 ( 0.000 0.110 0.231) 0.256 1.568 ( 0.000 1.372 -1.245) 1.853 1.603 ( 0.000 5.603 6.135) 8.308 1.733 ( 0.000 2.661 4.516) 5.242 1.788 ( 0.000 -2.637 -2.315) 3.509 1.873 ( 0.000 6.867 3.730) 7.815 1.888 ( 0.000 2.301 0.063) 2.302 1.927 ( 0.000 -0.403 0.366) 0.544 1.940 ( 0.000 6.074 -0.393) 6.087 1.986 ( 0.000 0.602 1.255) 1.392 2.032 ( 0.000 -1.302 3.206) 3.460 2.078 ( 0.000 3.032 12.369) 12.735 2.139 ( 0.000 -0.270 4.070) 4.078 2.223 ( 0.000 -1.073 -0.489) 1.179 2.277 ( 0.000 -4.153 8.485) 9.447 2.287 ( 0.000 0.939 2.796) 2.950 2.360 ( 0.000 -8.034 2.319) 8.362 2.431 ( 0.000 5.914 -0.600) 5.944 2.470 ( 0.000 7.304 2.650) 7.770 2.502 ( 0.000 -2.397 -1.508) 2.832 2.569 ( 0.000 5.447 8.783) 10.334 2.630 ( 0.000 -1.947 0.107) 1.950 2.723 ( 0.000 13.934 3.099) 14.275 2.843 ( 0.000 9.955 -1.036) 10.009 2.997 ( 0.000 -9.903 4.825) 11.016 2.999 ( 0.000 6.435 -6.367) 9.053 3.196 ( 0.000 -10.704 -2.527) 10.998 3.210 ( 0.000 -5.761 2.647) 6.340 3.370 ( 0.000 -3.239 1.978) 3.795 3.375 ( 0.000 6.841 1.164) 6.940 3.438 ( 0.000 3.376 2.029) 3.939 3.465 ( 0.000 6.790 -6.663) 9.513 3.537 ( 0.000 -2.089 1.763) 2.734 3.647 ( 0.000 1.167 2.043) 2.352 3.660 ( 0.000 -4.297 -1.323) 4.496 3.770 ( 0.000 -2.547 1.686) 3.055 3.835 ( 0.000 -0.437 -1.219) 1.295 3.900 ( 0.000 4.787 0.271) 4.794 3.973 ( 0.000 2.883 2.948) 4.123 4.093 ( 0.000 5.018 -1.809) 5.334 4.111 ( 0.000 -1.050 -1.458) 1.797 4.214 ( 0.000 -7.980 -1.679) 8.155 4.456 ( 0.000 0.317 -4.317) 4.328 4.465 ( 0.000 0.074 -1.823) 1.824 4.602 ( 0.000 5.881 -11.399) 12.827 4.758 ( 0.000 9.618 -7.359) 12.110 4.802 ( 0.000 -2.837 -10.097) 10.488 4.876 ( 0.000 -3.644 -7.693) 8.512 4.955 ( 0.000 -3.199 -2.283) 3.931 4.997 ( 0.000 -3.279 -3.566) 4.845 5.023 ( 0.000 1.480 -4.089) 4.349 5.171 ( 0.000 4.368 -3.814) 5.799 5.186 ( 0.000 -1.067 -1.789) 2.083 5.347 ( 0.000 1.983 6.699) 6.986 5.356 ( 0.000 3.980 0.437) 4.004 5.432 ( 0.000 -0.942 3.243) 3.377 5.491 ( 0.000 3.743 1.333) 3.973 5.508 ( 0.000 -1.348 3.124) 3.402 5.622 ( 0.000 2.765 1.021) 2.948 5.656 ( 0.000 1.252 0.639) 1.406 5.719 ( 0.000 3.170 1.992) 3.744 5.765 ( 0.000 -3.796 1.061) 3.941 5.793 ( 0.000 -0.260 -0.310) 0.404 5.872 ( 0.000 2.912 -0.627) 2.979 5.872 ( 0.000 2.740 -0.430) 2.773 5.944 ( 0.000 0.630 4.207) 4.254 6.047 ( 0.000 3.090 0.508) 3.132 6.068 ( 0.000 0.262 2.397) 2.411 6.137 ( 0.000 -1.529 -1.381) 2.060 6.294 ( 0.000 -1.331 3.381) 3.634 6.295 ( 0.000 -4.938 0.454) 4.958 6.452 ( 0.000 -6.758 5.838) 8.930 6.534 ( 0.000 8.503 -0.567) 8.522 6.572 ( 0.000 6.090 2.267) 6.498 6.659 ( 0.000 -1.653 2.443) 2.950 6.661 ( 0.000 -1.659 0.263) 1.680 6.809 ( 0.000 -3.102 -1.256) 3.347 6.974 ( 0.000 8.127 6.775) 10.581 7.138 ( 0.000 -8.715 -10.293) 13.487 7.155 ( 0.000 10.384 0.766) 10.412 7.275 ( 0.000 -1.043 0.657) 1.232 7.453 ( 0.000 9.026 -8.512) 12.406 7.618 ( 0.000 3.942 -3.837) 5.501 7.645 ( 0.000 2.884 -0.625) 2.951 7.697 ( 0.000 -3.841 -2.415) 4.537 7.761 ( 0.000 1.012 -1.642) 1.929 7.830 ( 0.000 5.968 6.237) 8.633 8.035 ( 0.000 -2.704 4.826) 5.532 8.085 ( 0.000 0.819 1.255) 1.498 8.223 ( 0.000 -1.581 9.530) 9.661 8.298 ( 0.000 0.858 -2.176) 2.339 8.424 ( 0.000 2.150 -1.548) 2.649 8.601 ( 0.000 1.433 -9.415) 9.523 8.666 ( 0.000 -4.667 -6.878) 8.312 8.793 ( 0.000 -3.587 -3.910) 5.306 8.822 ( 0.000 0.728 -0.759) 1.052 8.838 ( 0.000 2.506 -0.066) 2.507 8.989 ( 0.000 -0.141 -3.659) 3.661 9.115 ( 0.000 -0.312 -2.980) 2.996 9.255 ( 0.000 -3.577 8.422) 9.150 9.350 ( 0.000 2.107 1.088) 2.371 9.351 ( 0.000 -5.460 -0.036) 5.460 9.460 ( 0.000 -2.913 0.047) 2.913 9.613 ( 0.000 0.708 9.032) 9.059 9.703 ( 0.000 -3.643 7.946) 8.741 9.820 ( 0.000 -10.918 3.348) 11.420 10.029 ( 0.000 -14.441 -2.236) 14.613 10.492 ( 0.000 -0.552 3.921) 3.959 10.690 ( 0.000 -9.118 -0.035) 9.118 11.719 ( 0.000 -1.306 -2.188) 2.548 11.833 ( 0.000 -3.607 -4.586) 5.835 11.928 ( 0.000 1.382 4.994) 5.182 12.056 ( 0.000 -6.738 -2.781) 7.290 12.085 ( 0.000 -8.539 -1.491) 8.669 12.200 ( 0.000 -6.618 -3.130) 7.320 12.275 ( 0.000 -7.476 3.702) 8.342 12.347 ( 0.000 -7.742 1.601) 7.906 12.620 ( 0.000 0.288 2.083) 2.103 12.741 ( 0.000 -2.943 6.813) 7.422 12.919 ( 0.000 2.626 0.302) 2.643 12.946 ( 0.000 0.057 0.463) 0.466 12.995 ( 0.000 4.908 -1.228) 5.060 13.173 ( 0.000 4.799 -0.186) 4.803 13.338 ( 0.000 5.353 -2.425) 5.877 13.355 ( 0.000 4.895 -1.815) 5.221 13.374 ( 0.000 4.495 -1.074) 4.622 13.487 ( 0.000 -0.256 -5.582) 5.588 13.558 ( 0.000 2.937 4.629) 5.482 13.644 ( 0.000 1.126 1.541) 1.909 13.974 ( 0.000 4.034 1.333) 4.248 14.044 ( 0.000 -0.261 2.058) 2.074 14.159 ( 0.000 0.602 -2.260) 2.339 14.240 ( 0.000 -3.114 -2.808) 4.193 14.321 ( 0.000 1.219 1.177) 1.695 14.365 ( 0.000 -1.178 -0.152) 1.188 14.480 ( 0.000 -2.442 0.653) 2.527 14.556 ( 0.000 0.602 8.690) 8.711 14.557 ( 0.000 -4.907 -2.551) 5.530 14.873 ( 0.000 4.400 0.580) 4.438 14.892 ( 0.000 -5.075 -0.746) 5.129 15.065 ( 0.000 -3.665 -3.227) 4.883 15.247 ( 0.000 2.970 1.865) 3.507 15.281 ( 0.000 2.240 5.473) 5.913 15.659 ( 0.000 13.711 -1.504) 13.793 15.672 ( 0.000 8.125 -3.077) 8.688 15.914 ( 0.000 6.132 -8.178) 10.221 15.973 ( 0.000 0.135 -5.454) 5.456 16.084 ( 0.000 3.726 -2.944) 4.749 16.243 ( 0.000 -3.908 -3.008) 4.932 18.868 ( 0.000 6.354 8.879) 10.919 18.986 ( 0.000 8.505 11.512) 14.313 19.354 ( 0.000 -9.009 4.480) 10.062 19.598 ( 0.000 -6.987 5.945) 9.174 20.142 ( 0.000 1.198 -12.716) 12.772 20.350 ( 0.000 -0.878 -2.020) 2.203 20.557 ( 0.000 -10.261 -5.782) 11.778 20.685 ( 0.000 -11.254 -13.099) 17.269 21.004 ( 0.000 -0.600 0.254) 0.651 21.201 ( 0.000 -5.346 -5.499) 7.670 21.453 ( 0.000 0.765 7.034) 7.076 21.507 ( 0.000 -0.516 2.523) 2.575 21.570 ( 0.000 2.357 6.405) 6.825 21.632 ( 0.000 -0.697 2.489) 2.585 21.788 ( 0.000 -1.648 -0.447) 1.708 21.792 ( 0.000 -2.111 5.843) 6.213 22.025 ( 0.000 1.526 -0.776) 1.712 22.082 ( 0.000 -1.466 -3.398) 3.701 22.187 ( 0.000 2.894 6.270) 6.906 22.195 ( 0.000 -0.046 -0.321) 0.324 22.318 ( 0.000 -0.106 -4.703) 4.705 22.419 ( 0.000 3.202 1.528) 3.547 22.497 ( 0.000 2.100 1.261) 2.450 22.545 ( 0.000 0.601 -1.773) 1.872 23.819 ( 0.000 -0.648 -2.257) 2.348 23.956 ( 0.000 -4.840 -0.147) 4.842 24.041 ( 0.000 2.178 1.559) 2.678 24.131 ( 0.000 -3.122 -8.706) 9.249 24.329 ( 0.000 2.984 7.463) 8.037 24.463 ( 0.000 -0.062 3.281) 3.282 24.541 ( 0.000 -0.562 -10.259) 10.274 24.547 ( 0.000 0.238 -3.132) 3.141 24.647 ( 0.000 0.732 -2.298) 2.412 24.673 ( 0.000 0.107 -1.062) 1.067 24.780 ( 0.000 -1.691 1.741) 2.427 24.814 ( 0.000 -3.155 0.674) 3.226 25.452 ( 0.000 2.457 3.809) 4.533 25.511 ( 0.000 1.404 0.505) 1.492 25.612 ( 0.000 3.528 2.192) 4.153 25.623 ( 0.000 2.892 1.943) 3.484 ======================= Grid point 46 (20/36) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 5.846 5.973 4.823) 9.650 1.261 ( 4.558 4.685 6.585) 9.278 1.387 ( 0.751 4.469 0.738) 4.592 1.456 ( 1.978 3.501 1.620) 4.335 1.561 ( -0.451 1.556 0.123) 1.624 1.623 ( 1.906 5.609 4.957) 7.724 1.734 ( -6.898 3.543 3.361) 8.452 1.776 ( 1.445 1.310 0.372) 1.986 1.822 ( -2.972 -1.885 1.082) 3.681 1.848 ( -1.702 3.122 2.950) 4.620 1.925 ( 2.925 2.073 1.141) 3.762 1.975 ( 2.411 3.966 -0.400) 4.658 2.065 ( 0.422 3.693 9.920) 10.593 2.082 ( 2.200 -0.051 2.414) 3.266 2.111 ( 2.575 0.380 3.752) 4.566 2.157 ( 4.466 0.756 1.613) 4.809 2.218 ( -0.112 -0.971 0.629) 1.162 2.265 ( 0.561 -3.080 5.869) 6.652 2.308 ( 2.652 0.120 4.345) 5.092 2.384 ( 2.867 -3.935 4.061) 6.340 2.441 ( -0.052 -0.097 0.407) 0.422 2.487 ( 2.643 2.245 -0.099) 3.469 2.526 ( -3.079 3.470 3.087) 5.572 2.584 ( 2.472 4.350 2.444) 5.569 2.646 ( 5.968 1.688 -3.053) 6.913 2.778 ( 6.740 15.525 7.419) 18.480 2.882 ( 3.880 7.244 -1.014) 8.280 2.985 ( 2.597 4.152 -3.346) 5.931 3.047 ( 2.748 -5.147 5.287) 7.874 3.182 ( -2.384 -2.025 3.201) 4.475 3.221 ( -2.956 -3.049 0.655) 4.297 3.286 ( -1.830 -0.164 -1.593) 2.432 3.362 ( -0.987 -1.401 2.129) 2.733 3.433 ( 1.137 1.484 0.968) 2.105 3.504 ( -1.934 -4.180 1.607) 4.878 3.556 ( -1.925 1.428 0.440) 2.436 3.608 ( -6.581 -0.067 1.380) 6.725 3.645 ( 0.431 0.003 0.198) 0.474 3.768 ( -0.113 3.085 0.302) 3.102 3.829 ( 0.145 3.505 -1.908) 3.993 3.916 ( 2.248 1.006 -4.529) 5.155 3.977 ( 2.371 0.852 2.360) 3.452 4.087 ( 1.198 3.754 -4.968) 6.341 4.117 ( -2.214 -0.712 -2.745) 3.598 4.259 ( 1.944 -4.431 -4.598) 6.675 4.331 ( -9.138 -0.131 -3.413) 9.756 4.409 ( -3.378 -2.249 -1.537) 4.339 4.529 ( -5.619 -0.929 -7.884) 9.726 4.682 ( -5.526 6.060 -3.450) 8.898 4.750 ( -5.432 -2.847 -3.705) 7.166 4.785 ( -9.820 -1.242 -2.464) 10.201 4.900 ( -3.388 -3.067 -10.273) 11.244 5.000 ( 1.485 -1.579 -3.454) 4.078 5.046 ( 0.454 0.167 -3.712) 3.743 5.172 ( -0.513 2.060 -0.286) 2.142 5.205 ( 1.523 -0.795 -1.543) 2.310 5.324 ( -2.242 1.034 -0.262) 2.483 5.367 ( 2.261 4.557 0.828) 5.154 5.440 ( 1.958 5.397 -0.247) 5.746 5.510 ( 2.769 -0.634 -3.492) 4.502 5.543 ( 1.802 1.010 2.825) 3.499 5.615 ( -2.242 -1.057 3.857) 4.585 5.650 ( -0.408 0.962 2.784) 2.973 5.749 ( 2.294 2.454 0.550) 3.404 5.776 ( 0.043 1.573 -1.871) 2.445 5.815 ( 1.520 1.405 1.422) 2.511 5.849 ( 0.839 3.045 -1.320) 3.423 5.899 ( 0.348 4.431 1.179) 4.599 5.949 ( 1.723 3.711 1.424) 4.332 6.037 ( -1.602 -0.902 2.533) 3.130 6.090 ( 0.406 1.285 -0.665) 1.503 6.187 ( 3.268 -2.860 2.686) 5.106 6.278 ( 1.660 -3.150 3.829) 5.229 6.376 ( 5.575 -1.153 4.353) 7.166 6.451 ( 0.310 -6.911 5.446) 8.804 6.561 ( 3.329 3.279 0.940) 4.766 6.577 ( 0.082 2.646 1.592) 3.090 6.676 ( 2.393 0.208 -1.085) 2.636 6.713 ( 3.786 -1.393 -1.994) 4.500 6.817 ( 0.045 2.481 -1.130) 2.726 6.961 ( -4.410 1.595 -0.399) 4.707 7.015 ( -4.994 3.386 0.385) 6.046 7.169 ( -0.735 7.872 -1.602) 8.066 7.290 ( -0.322 1.473 3.934) 4.213 7.386 ( -3.438 2.326 -6.969) 8.112 7.546 ( -5.390 2.459 -3.094) 6.683 7.644 ( -2.125 2.101 0.535) 3.036 7.684 ( -3.958 -0.597 2.097) 4.519 7.744 ( -0.572 -4.115 -2.656) 4.931 7.852 ( 3.890 1.433 -2.369) 4.774 7.990 ( -1.366 2.194 6.388) 6.891 8.098 ( 1.260 -0.506 5.030) 5.210 8.292 ( 4.700 -2.623 2.412) 5.898 8.366 ( 5.060 -0.647 -5.459) 7.471 8.469 ( 1.106 4.942 -6.490) 8.232 8.564 ( -5.459 1.432 -7.526) 9.407 8.649 ( 0.034 3.667 0.157) 3.671 8.726 ( 2.454 -0.433 -0.875) 2.641 8.817 ( -0.453 0.591 -4.542) 4.602 8.924 ( 0.534 -1.711 0.167) 1.800 9.023 ( 2.386 -0.730 -2.688) 3.668 9.093 ( 0.702 -1.467 0.514) 1.705 9.241 ( -1.848 -2.509 6.110) 6.859 9.299 ( -3.242 -4.714 -1.011) 5.810 9.394 ( 2.723 0.374 2.761) 3.896 9.485 ( 1.661 -3.811 1.131) 4.308 9.569 ( -2.531 -2.077 6.485) 7.264 9.734 ( -3.405 -7.657 1.851) 8.583 9.819 ( 6.402 -5.472 7.511) 11.284 10.108 ( 5.251 -11.761 2.471) 13.115 10.454 ( -3.105 -1.516 0.332) 3.472 10.648 ( -3.843 -7.578 -0.606) 8.518 11.728 ( 0.671 -1.422 -2.474) 2.931 11.865 ( 2.840 -3.580 -5.326) 7.018 11.935 ( 0.456 1.261 4.981) 5.158 12.057 ( -0.175 -7.878 -2.374) 8.230 12.090 ( 0.615 -9.064 -2.216) 9.351 12.173 ( -1.073 -3.363 -0.910) 3.645 12.251 ( -2.433 -7.154 3.695) 8.411 12.315 ( -2.687 -7.631 3.100) 8.663 12.639 ( 2.229 0.277 1.794) 2.875 12.723 ( -0.649 -1.418 4.231) 4.509 12.840 ( -6.560 1.663 -1.338) 6.899 12.888 ( -4.904 2.137 0.668) 5.391 13.089 ( 6.819 3.254 0.654) 7.584 13.218 ( 2.577 4.475 1.002) 5.261 13.328 ( -0.800 5.212 -2.559) 5.861 13.353 ( 0.111 4.097 -2.071) 4.592 13.376 ( 0.032 4.690 -0.937) 4.783 13.514 ( 1.897 -0.806 -4.442) 4.897 13.549 ( -0.684 2.418 3.247) 4.106 13.666 ( 1.736 1.265 1.083) 2.406 13.954 ( -1.379 2.479 1.160) 3.065 14.033 ( -1.281 0.622 3.330) 3.621 14.125 ( -0.928 -0.639 -3.651) 3.821 14.246 ( 0.263 -2.417 -0.594) 2.503 14.297 ( -1.011 -1.223 0.422) 1.642 14.449 ( 6.570 0.504 -1.438) 6.745 14.498 ( -2.402 -0.079 6.229) 6.676 14.601 ( 4.999 -4.039 -0.120) 6.428 14.632 ( 9.530 -2.660 -0.425) 9.903 14.795 ( -6.161 1.918 -0.631) 6.483 14.879 ( -2.646 -3.189 1.564) 4.429 15.001 ( -6.478 -3.522 -2.219) 7.700 15.268 ( 1.675 2.776 3.134) 4.509 15.285 ( 0.505 2.645 5.634) 6.244 15.669 ( 0.321 10.446 -1.417) 10.547 15.681 ( 1.381 10.631 -3.610) 11.312 15.863 ( -3.291 5.380 -8.551) 10.626 16.022 ( 2.935 1.872 -2.247) 4.143 16.090 ( 0.599 1.632 -6.224) 6.462 16.239 ( -0.336 -3.472 -3.273) 4.783 18.874 ( 0.587 6.341 8.456) 10.585 18.978 ( -0.756 8.326 12.045) 14.662 19.364 ( 0.929 -8.006 2.315) 8.386 19.576 ( -1.985 -6.994 8.524) 11.203 20.142 ( -0.019 1.304 -13.013) 13.078 20.343 ( -0.530 -0.931 -1.449) 1.802 20.584 ( 2.394 -10.143 -6.776) 12.431 20.680 ( -0.535 -12.170 -12.731) 17.620 21.030 ( 2.695 -0.803 0.148) 2.816 21.215 ( 1.195 -4.322 -4.506) 6.357 21.379 ( -5.922 -1.385 4.916) 7.820 21.494 ( -1.402 -0.559 7.808) 7.952 21.577 ( 0.388 1.715 1.121) 2.086 21.658 ( 1.911 0.627 3.642) 4.160 21.787 ( -0.003 -1.425 2.044) 2.492 21.792 ( -0.085 -1.859 3.749) 4.186 22.037 ( 0.800 0.310 -1.045) 1.353 22.077 ( -0.091 -0.005 -4.210) 4.211 22.178 ( -0.822 3.211 5.016) 6.013 22.196 ( -0.047 0.769 0.220) 0.801 22.300 ( -1.417 0.519 -3.714) 4.009 22.435 ( 1.309 2.626 1.595) 3.340 22.493 ( -0.272 1.622 1.007) 1.928 22.527 ( -1.570 0.397 -1.266) 2.056 23.839 ( 1.798 -0.774 -2.282) 3.007 23.920 ( -2.435 -3.377 0.047) 4.163 24.079 ( 2.448 0.461 1.828) 3.089 24.142 ( 1.002 -2.950 -8.597) 9.144 24.319 ( -0.772 4.651 8.114) 9.384 24.484 ( 1.412 -0.219 3.652) 3.922 24.535 ( -0.015 -0.872 -8.729) 8.772 24.558 ( 0.553 -0.225 -5.543) 5.575 24.643 ( 0.200 0.998 -1.761) 2.034 24.684 ( 0.979 -0.278 -1.329) 1.674 24.761 ( -2.123 -2.478 0.422) 3.290 24.799 ( -1.227 -2.308 1.045) 2.815 25.451 ( -0.091 2.134 3.062) 3.733 25.522 ( 1.192 2.136 1.469) 2.853 25.593 ( -1.800 3.431 2.065) 4.391 25.616 ( -0.582 3.065 1.722) 3.563 ======================= Grid point 47 (21/36) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 0.000 0.359 0.682) 0.771 1.294 ( 0.000 -1.069 6.383) 6.472 1.411 ( 0.000 2.387 -3.386) 4.143 1.523 ( 0.000 0.833 2.073) 2.234 1.575 ( -0.000 6.839 5.790) 8.961 1.585 ( 0.000 6.190 3.008) 6.882 1.665 ( 0.000 9.946 4.248) 10.815 1.765 ( 0.000 3.869 6.720) 7.754 1.786 ( 0.000 -1.860 -2.619) 3.212 1.848 ( 0.000 0.633 1.678) 1.793 1.977 ( 0.000 2.922 1.483) 3.277 1.982 ( -0.000 1.445 1.058) 1.791 2.065 ( -0.000 -0.289 3.576) 3.588 2.071 ( 0.000 4.000 6.661) 7.770 2.163 ( 0.000 -2.651 1.612) 3.103 2.187 ( 0.000 -2.749 0.556) 2.805 2.225 ( 0.000 -1.661 1.834) 2.474 2.272 ( 0.000 2.353 5.638) 6.109 2.348 ( 0.000 0.609 8.715) 8.736 2.410 ( -0.000 -0.034 0.389) 0.391 2.465 ( 0.000 0.177 3.919) 3.923 2.489 ( 0.000 3.798 4.077) 5.572 2.495 ( -0.000 0.666 -4.136) 4.189 2.617 ( -0.000 0.498 -1.252) 1.347 2.746 ( 0.000 5.644 -4.404) 7.159 2.918 ( 0.000 11.557 0.213) 11.559 3.016 ( -0.000 -5.790 4.712) 7.465 3.050 ( 0.000 6.598 7.924) 10.311 3.056 ( -0.000 10.024 0.846) 10.059 3.108 ( -0.000 0.947 1.341) 1.642 3.175 ( 0.000 0.963 1.493) 1.776 3.253 ( 0.000 6.407 4.588) 7.880 3.352 ( -0.000 -3.893 6.992) 8.003 3.356 ( 0.000 3.624 3.531) 5.060 3.491 ( -0.000 -4.487 -0.790) 4.556 3.512 ( 0.000 -8.110 0.216) 8.113 3.545 ( 0.000 -1.927 -0.133) 1.931 3.625 ( 0.000 3.519 1.323) 3.760 3.767 ( 0.000 1.742 -3.330) 3.759 3.858 ( 0.000 3.802 1.653) 4.146 3.951 ( -0.000 7.340 -5.578) 9.219 3.976 ( 0.000 -3.796 -4.578) 5.947 4.078 ( 0.000 3.330 -7.251) 7.980 4.150 ( 0.000 -0.917 -1.358) 1.638 4.178 ( -0.000 0.256 -11.403) 11.406 4.285 ( 0.000 -6.333 -10.606) 12.353 4.402 ( 0.000 -7.015 0.934) 7.077 4.480 ( 0.000 -4.388 4.828) 6.524 4.621 ( 0.000 4.302 -2.465) 4.958 4.657 ( 0.000 -5.536 -4.039) 6.853 4.700 ( 0.000 2.159 -1.634) 2.708 4.821 ( 0.000 1.436 -4.192) 4.432 5.037 ( 0.000 1.725 -0.868) 1.931 5.050 ( -0.000 -2.882 -8.341) 8.825 5.157 ( 0.000 -1.720 -2.486) 3.023 5.210 ( 0.000 -3.690 1.089) 3.848 5.313 ( 0.000 5.904 -4.614) 7.493 5.409 ( 0.000 -1.620 0.475) 1.688 5.458 ( 0.000 9.369 -4.637) 10.454 5.545 ( 0.000 -1.107 -2.695) 2.914 5.573 ( -0.000 -0.865 2.059) 2.234 5.574 ( 0.000 3.363 3.930) 5.173 5.652 ( 0.000 -1.158 2.908) 3.130 5.736 ( -0.000 6.413 0.643) 6.445 5.789 ( 0.000 -0.894 -3.335) 3.453 5.825 ( 0.000 5.221 2.827) 5.937 5.887 ( 0.000 6.251 -2.884) 6.884 5.907 ( 0.000 3.223 1.321) 3.483 5.981 ( 0.000 0.055 1.347) 1.348 5.999 ( 0.000 6.199 1.401) 6.355 6.071 ( 0.000 -2.721 1.727) 3.223 6.219 ( 0.000 -3.115 2.612) 4.065 6.321 ( 0.000 -3.014 7.447) 8.034 6.415 ( 0.000 -6.279 3.132) 7.017 6.486 ( 0.000 -0.825 7.514) 7.560 6.568 ( 0.000 -4.504 6.516) 7.921 6.663 ( 0.000 2.543 -3.680) 4.473 6.666 ( -0.000 0.616 -4.828) 4.867 6.774 ( 0.000 -3.401 -1.932) 3.911 6.817 ( -0.000 0.689 0.767) 1.031 6.824 ( 0.000 10.223 -5.862) 11.785 7.022 ( 0.000 5.056 -0.160) 5.058 7.168 ( 0.000 10.850 1.571) 10.963 7.231 ( 0.000 3.424 4.317) 5.510 7.390 ( 0.000 0.112 -7.263) 7.264 7.482 ( 0.000 -2.307 3.459) 4.158 7.599 ( 0.000 -4.451 2.991) 5.363 7.658 ( 0.000 2.417 1.049) 2.634 7.709 ( 0.000 -1.216 -5.645) 5.774 7.934 ( 0.000 -1.587 -4.889) 5.140 7.963 ( -0.000 -1.343 7.488) 7.607 8.134 ( 0.000 0.387 6.796) 6.807 8.317 ( 0.000 -2.467 -5.807) 6.309 8.433 ( 0.000 -1.694 -13.068) 13.178 8.447 ( 0.000 7.295 -4.026) 8.332 8.495 ( 0.000 6.280 -0.652) 6.314 8.722 ( -0.000 3.944 2.392) 4.613 8.732 ( 0.000 2.676 -3.369) 4.303 8.808 ( 0.000 -0.180 -0.243) 0.302 8.906 ( 0.000 -0.310 -5.351) 5.360 9.040 ( 0.000 -2.594 4.032) 4.795 9.130 ( 0.000 -1.231 2.971) 3.216 9.228 ( 0.000 -4.593 -0.697) 4.645 9.241 ( 0.000 -4.257 2.069) 4.733 9.431 ( -0.000 0.306 2.748) 2.765 9.493 ( 0.000 -1.110 8.462) 8.534 9.555 ( 0.000 -6.025 -2.622) 6.571 9.681 ( 0.000 -8.531 3.745) 9.317 9.916 ( 0.000 -6.993 3.137) 7.664 10.150 ( 0.000 -3.990 12.680) 13.293 10.426 ( 0.000 -7.148 -8.250) 10.916 10.595 ( 0.000 -4.655 -0.122) 4.657 11.735 ( 0.000 -1.533 -2.737) 3.137 11.902 ( 0.000 -3.321 -8.100) 8.754 11.937 ( 0.000 1.219 6.369) 6.484 12.046 ( 0.000 -8.142 -2.078) 8.403 12.099 ( 0.000 -10.253 -2.659) 10.592 12.197 ( 0.000 -1.929 2.124) 2.869 12.213 ( 0.000 -6.501 4.243) 7.763 12.271 ( -0.000 -7.415 3.189) 8.072 12.696 ( -0.000 -0.401 1.439) 1.494 12.710 ( 0.000 0.148 1.027) 1.037 12.748 ( 0.000 1.971 -1.016) 2.217 12.827 ( 0.000 1.659 2.137) 2.705 13.172 ( -0.000 2.679 -0.150) 2.683 13.228 ( 0.000 5.591 2.669) 6.195 13.320 ( 0.000 5.209 -2.864) 5.945 13.361 ( 0.000 2.407 -2.130) 3.214 13.374 ( 0.000 5.030 -0.978) 5.125 13.528 ( 0.000 4.238 5.619) 7.038 13.546 ( 0.000 -2.587 -6.751) 7.230 13.685 ( 0.000 1.330 0.525) 1.430 13.944 ( 0.000 1.204 0.974) 1.549 14.011 ( 0.000 1.704 4.565) 4.872 14.130 ( 0.000 -2.727 -5.392) 6.043 14.240 ( -0.000 -2.324 -1.345) 2.686 14.305 ( 0.000 -0.772 1.767) 1.928 14.439 ( 0.000 0.405 9.282) 9.291 14.564 ( -0.000 -2.884 -7.254) 7.806 14.664 ( 0.000 2.507 0.110) 2.509 14.701 ( -0.000 -1.618 0.620) 1.733 14.809 ( 0.000 -2.310 -2.467) 3.380 14.826 ( -0.000 -2.333 2.172) 3.187 14.870 ( 0.000 -5.646 1.565) 5.859 15.288 ( 0.000 4.505 4.751) 6.548 15.291 ( -0.000 1.088 5.441) 5.548 15.672 ( 0.000 9.854 -1.540) 9.974 15.700 ( 0.000 10.586 -3.647) 11.197 15.826 ( -0.000 5.448 -9.452) 10.910 16.051 ( 0.000 4.987 3.379) 6.024 16.099 ( 0.000 -2.761 -11.637) 11.960 16.235 ( 0.000 -2.827 -3.543) 4.532 18.882 ( 0.000 6.304 7.813) 10.039 18.968 ( 0.000 8.192 12.784) 15.184 19.377 ( 0.000 -6.910 -0.728) 6.948 19.551 ( 0.000 -7.228 11.934) 13.952 20.142 ( 0.000 1.394 -13.322) 13.395 20.337 ( 0.000 -0.965 -0.940) 1.347 20.616 ( 0.000 -9.393 -7.901) 12.274 20.670 ( 0.000 -13.635 -12.152) 18.265 21.071 ( 0.000 -0.611 -0.042) 0.612 21.229 ( 0.000 -3.237 -3.523) 4.784 21.304 ( 0.000 -3.019 4.359) 5.303 21.477 ( 0.000 -1.363 9.166) 9.266 21.580 ( 0.000 1.589 -0.380) 1.634 21.679 ( 0.000 1.284 3.547) 3.773 21.787 ( 0.000 -1.738 2.144) 2.760 21.790 ( 0.000 -1.065 4.003) 4.142 22.041 ( 0.000 -1.731 -3.609) 4.002 22.084 ( 0.000 1.819 -2.451) 3.052 22.166 ( 0.000 4.817 4.278) 6.442 22.195 ( 0.000 0.725 -0.228) 0.760 22.284 ( 0.000 0.733 -2.747) 2.843 22.451 ( 0.000 2.558 2.350) 3.473 22.493 ( 0.000 1.156 0.131) 1.163 22.505 ( 0.000 -0.104 -0.656) 0.664 23.866 ( -0.000 0.386 -3.721) 3.741 23.888 ( 0.000 -4.332 1.710) 4.657 24.104 ( 0.000 -0.332 1.555) 1.590 24.155 ( 0.000 -2.595 -8.048) 8.456 24.310 ( 0.000 6.164 8.480) 10.484 24.495 ( 0.000 0.093 3.350) 3.351 24.539 ( 0.000 -2.037 -8.451) 8.693 24.561 ( 0.000 1.089 -5.590) 5.695 24.659 ( 0.000 0.537 -1.331) 1.436 24.701 ( -0.000 -1.661 0.101) 1.664 24.720 ( 0.000 -2.556 -2.370) 3.485 24.785 ( 0.000 -1.624 1.202) 2.020 25.450 ( 0.000 1.880 2.380) 3.033 25.549 ( 0.000 3.834 5.228) 6.483 25.559 ( 0.000 2.258 -0.991) 2.466 25.609 ( 0.000 3.179 1.558) 3.540 ======================= Grid point 50 (22/36) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 0.000 2.252 1.157) 2.532 1.298 ( 0.000 0.604 2.549) 2.620 1.441 ( 0.000 1.025 -1.163) 1.550 1.443 ( 0.000 0.832 -0.794) 1.150 1.663 ( 0.000 5.724 3.073) 6.497 1.684 ( 0.000 2.907 3.375) 4.455 1.742 ( 0.000 -2.179 -2.262) 3.141 1.763 ( 0.000 -1.885 1.342) 2.314 1.850 ( 0.000 -2.100 1.486) 2.573 1.869 ( 0.000 -1.408 2.448) 2.824 2.002 ( 0.000 -0.333 0.685) 0.762 2.004 ( 0.000 -0.457 0.513) 0.688 2.040 ( 0.000 3.932 4.282) 5.813 2.083 ( 0.000 4.829 2.890) 5.628 2.118 ( 0.000 1.482 3.305) 3.622 2.129 ( 0.000 2.245 5.478) 5.920 2.215 ( 0.000 5.930 6.799) 9.022 2.239 ( 0.000 -4.427 5.497) 7.058 2.275 ( 0.000 1.766 6.186) 6.433 2.303 ( 0.000 -1.966 1.724) 2.615 2.435 ( 0.000 -2.351 0.659) 2.442 2.465 ( 0.000 0.550 0.764) 0.942 2.565 ( 0.000 1.344 -4.226) 4.435 2.588 ( 0.000 -1.407 -5.354) 5.536 2.626 ( 0.000 0.075 2.836) 2.837 2.681 ( 0.000 -9.905 6.305) 11.742 2.977 ( 0.000 -4.232 2.697) 5.018 2.983 ( 0.000 -2.195 6.878) 7.220 3.060 ( 0.000 5.288 -2.257) 5.749 3.160 ( 0.000 4.016 2.877) 4.940 3.216 ( 0.000 7.751 5.948) 9.770 3.258 ( 0.000 -7.055 6.065) 9.304 3.428 ( 0.000 6.927 5.907) 9.103 3.436 ( 0.000 0.974 0.025) 0.974 3.519 ( 0.000 -5.998 0.154) 6.000 3.529 ( 0.000 -3.953 -2.404) 4.626 3.625 ( 0.000 2.805 -0.292) 2.820 3.677 ( 0.000 3.316 0.071) 3.317 3.758 ( 0.000 -1.274 -1.840) 2.238 3.783 ( 0.000 -6.105 0.470) 6.123 3.994 ( 0.000 4.884 -6.023) 7.754 4.096 ( 0.000 6.271 -3.442) 7.154 4.153 ( 0.000 6.031 -3.335) 6.892 4.171 ( 0.000 5.181 -0.333) 5.192 4.305 ( 0.000 5.462 0.401) 5.477 4.342 ( 0.000 -7.374 -10.356) 12.713 4.537 ( 0.000 2.318 -4.515) 5.075 4.625 ( 0.000 -6.343 -11.255) 12.919 4.742 ( 0.000 -0.608 -10.488) 10.506 4.756 ( 0.000 -0.091 -4.622) 4.623 4.932 ( 0.000 1.588 -1.188) 1.983 4.943 ( 0.000 3.056 -3.640) 4.753 5.033 ( 0.000 2.857 -1.569) 3.260 5.040 ( 0.000 0.402 -4.658) 4.675 5.173 ( 0.000 1.584 0.687) 1.727 5.241 ( 0.000 0.082 1.245) 1.248 5.311 ( 0.000 -2.306 -3.146) 3.901 5.336 ( 0.000 -1.840 -1.841) 2.603 5.487 ( 0.000 0.872 8.317) 8.363 5.506 ( 0.000 -0.582 7.253) 7.276 5.525 ( 0.000 4.030 -1.799) 4.413 5.591 ( 0.000 -3.417 4.540) 5.682 5.692 ( 0.000 -0.079 -0.983) 0.986 5.731 ( 0.000 -3.535 1.184) 3.728 5.772 ( 0.000 2.596 1.941) 3.242 5.776 ( 0.000 1.156 3.871) 4.040 5.926 ( 0.000 1.786 1.634) 2.421 5.936 ( 0.000 0.933 4.026) 4.133 6.025 ( 0.000 0.707 0.308) 0.771 6.032 ( 0.000 7.043 0.498) 7.060 6.095 ( 0.000 -1.441 -6.333) 6.495 6.184 ( 0.000 2.280 -2.895) 3.686 6.210 ( 0.000 -1.578 0.539) 1.667 6.274 ( 0.000 -9.432 3.153) 9.945 6.324 ( 0.000 6.637 0.346) 6.646 6.518 ( 0.000 -0.237 2.760) 2.770 6.526 ( 0.000 -8.956 0.698) 8.983 6.594 ( 0.000 -5.147 5.325) 7.406 6.841 ( 0.000 9.886 -0.865) 9.924 6.902 ( 0.000 5.768 -0.935) 5.844 7.026 ( 0.000 0.712 -7.555) 7.589 7.075 ( 0.000 -0.046 2.029) 2.029 7.239 ( 0.000 -0.996 3.389) 3.532 7.278 ( 0.000 -0.771 1.693) 1.861 7.600 ( 0.000 2.438 -2.520) 3.506 7.650 ( 0.000 5.070 6.402) 8.166 7.655 ( 0.000 -1.101 3.106) 3.295 7.731 ( 0.000 -2.559 0.738) 2.663 7.799 ( 0.000 9.085 -8.389) 12.366 7.951 ( 0.000 0.825 -1.313) 1.551 7.998 ( 0.000 0.297 0.474) 0.559 8.062 ( 0.000 -5.298 -2.310) 5.780 8.189 ( 0.000 -1.907 -4.358) 4.757 8.218 ( 0.000 -0.687 3.861) 3.922 8.505 ( 0.000 2.282 2.955) 3.734 8.563 ( 0.000 -3.421 -3.774) 5.094 8.637 ( 0.000 1.450 -8.285) 8.411 8.699 ( 0.000 -4.207 -6.765) 7.966 8.894 ( 0.000 5.247 -1.720) 5.522 8.919 ( 0.000 2.978 -0.328) 2.996 9.005 ( 0.000 2.130 -4.643) 5.108 9.085 ( 0.000 -3.305 -1.344) 3.567 9.189 ( 0.000 -1.198 8.212) 8.299 9.232 ( 0.000 -4.905 1.807) 5.228 9.370 ( 0.000 0.051 -1.684) 1.685 9.396 ( 0.000 -2.814 -1.748) 3.313 9.604 ( 0.000 -1.692 4.099) 4.435 9.625 ( 0.000 -3.294 3.814) 5.039 9.709 ( 0.000 0.642 6.106) 6.139 9.782 ( 0.000 -7.202 3.456) 7.989 10.483 ( 0.000 0.442 2.364) 2.405 10.536 ( 0.000 -4.877 1.338) 5.057 11.714 ( 0.000 0.989 -4.481) 4.589 11.760 ( 0.000 -3.062 -5.354) 6.168 11.897 ( 0.000 -3.233 -3.539) 4.793 11.911 ( 0.000 -4.676 -5.193) 6.988 12.017 ( 0.000 2.762 3.478) 4.441 12.099 ( 0.000 -4.259 2.677) 5.031 12.188 ( 0.000 -1.196 5.118) 5.256 12.218 ( 0.000 -3.953 2.845) 4.870 12.645 ( 0.000 1.617 3.635) 3.978 12.685 ( 0.000 -2.212 5.416) 5.850 12.940 ( 0.000 0.297 1.304) 1.338 12.943 ( 0.000 -0.140 0.744) 0.757 13.136 ( 0.000 6.501 -3.110) 7.206 13.223 ( 0.000 -0.865 -1.701) 1.908 13.408 ( 0.000 1.615 -3.914) 4.234 13.420 ( 0.000 0.683 -4.280) 4.334 13.450 ( 0.000 2.336 -1.491) 2.772 13.471 ( 0.000 -0.378 -3.220) 3.242 13.622 ( 0.000 2.649 4.502) 5.224 13.656 ( 0.000 -0.386 3.115) 3.139 14.048 ( 0.000 2.367 0.200) 2.376 14.052 ( 0.000 0.962 1.670) 1.927 14.150 ( 0.000 -1.123 -0.411) 1.196 14.158 ( 0.000 -3.024 1.360) 3.316 14.357 ( 0.000 2.031 0.721) 2.155 14.375 ( 0.000 1.498 -0.889) 1.742 14.425 ( 0.000 -1.951 1.060) 2.220 14.460 ( 0.000 -3.985 -1.441) 4.238 14.628 ( 0.000 5.103 5.447) 7.464 14.756 ( 0.000 -6.777 3.026) 7.422 14.955 ( 0.000 3.208 -1.375) 3.491 15.010 ( 0.000 -2.196 -3.011) 3.727 15.299 ( 0.000 1.705 3.670) 4.047 15.312 ( 0.000 0.502 5.038) 5.063 15.845 ( 0.000 7.399 -6.143) 9.617 15.889 ( 0.000 7.558 -3.589) 8.367 15.957 ( 0.000 -2.240 -7.013) 7.362 15.979 ( 0.000 -0.207 -6.060) 6.063 16.115 ( 0.000 0.451 2.757) 2.794 16.154 ( 0.000 -3.636 2.021) 4.160 19.015 ( 0.000 7.341 6.946) 10.107 19.176 ( 0.000 -7.910 5.394) 9.574 19.187 ( 0.000 10.219 11.267) 15.211 19.408 ( 0.000 -10.233 10.002) 14.309 20.208 ( 0.000 4.783 -10.342) 11.395 20.348 ( 0.000 -8.557 -6.700) 10.868 20.362 ( 0.000 2.607 -7.276) 7.728 20.474 ( 0.000 -7.917 -11.103) 13.636 21.029 ( 0.000 2.431 -2.538) 3.515 21.099 ( 0.000 -4.109 -4.308) 5.953 21.476 ( 0.000 1.184 5.909) 6.027 21.496 ( 0.000 -0.682 4.313) 4.366 21.606 ( 0.000 1.022 2.237) 2.460 21.619 ( 0.000 -0.469 -0.892) 1.007 21.762 ( 0.000 -0.663 2.662) 2.744 21.762 ( 0.000 -0.704 6.237) 6.277 22.044 ( 0.000 0.554 0.337) 0.649 22.057 ( 0.000 -0.810 -1.099) 1.365 22.193 ( 0.000 0.045 1.546) 1.547 22.200 ( 0.000 -0.511 4.732) 4.759 22.378 ( 0.000 4.102 -4.059) 5.771 22.442 ( 0.000 -1.244 -0.421) 1.314 22.533 ( 0.000 1.161 0.995) 1.529 22.546 ( 0.000 -0.245 -0.965) 0.995 23.809 ( 0.000 0.571 -2.074) 2.151 23.856 ( 0.000 -3.810 -0.668) 3.868 24.084 ( 0.000 1.263 -3.602) 3.817 24.099 ( 0.000 -0.553 -7.330) 7.351 24.397 ( 0.000 3.115 6.847) 7.522 24.448 ( 0.000 -1.454 7.297) 7.440 24.531 ( 0.000 -0.310 -8.639) 8.644 24.536 ( 0.000 -0.858 -8.148) 8.193 24.666 ( 0.000 0.739 -1.320) 1.513 24.675 ( 0.000 -0.056 -0.936) 0.938 24.758 ( 0.000 -0.278 0.962) 1.002 24.767 ( 0.000 -1.221 0.466) 1.306 25.502 ( 0.000 1.975 2.329) 3.054 25.526 ( 0.000 -0.174 1.071) 1.085 25.666 ( 0.000 1.357 2.598) 2.932 25.668 ( 0.000 1.117 2.566) 2.799 ======================= Grid point 51 (23/36) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( -1.076 0.372 0.071) 1.141 1.294 ( -0.707 0.432 4.287) 4.366 1.426 ( -0.156 0.558 -3.617) 3.663 1.482 ( 1.890 -0.287 -0.233) 1.926 1.658 ( -0.329 2.698 1.910) 3.322 1.699 ( 0.523 3.515 0.575) 3.599 1.750 ( -0.226 -1.198 -1.239) 1.738 1.776 ( 1.837 -0.387 2.883) 3.441 1.848 ( 1.147 1.328 1.670) 2.422 1.907 ( 2.666 -2.031 1.809) 3.808 1.981 ( -1.566 4.011 2.070) 4.778 2.007 ( 0.402 1.463 0.677) 1.662 2.064 ( 0.383 -0.987 1.794) 2.083 2.088 ( 0.595 0.115 3.405) 3.459 2.118 ( -3.586 -0.293 5.758) 6.790 2.148 ( 0.489 -1.191 2.284) 2.622 2.240 ( 0.798 3.685 3.296) 5.008 2.291 ( 5.338 4.341 3.693) 7.808 2.320 ( 7.037 -0.075 4.103) 8.146 2.368 ( 4.439 1.924 1.843) 5.177 2.403 ( 1.361 1.000 5.251) 5.516 2.477 ( 4.751 -2.912 6.508) 8.568 2.569 ( 0.976 3.152 0.889) 3.417 2.628 ( 1.792 0.679 7.586) 7.825 2.699 ( 1.835 -2.624 -2.162) 3.863 2.739 ( 6.223 -6.082 4.963) 10.017 2.915 ( 2.439 -5.659 4.313) 7.522 3.006 ( -1.294 -3.671 -0.565) 3.933 3.077 ( -2.180 -1.529 -1.486) 3.049 3.128 ( -2.712 4.063 2.027) 5.289 3.188 ( -0.346 1.861 3.041) 3.582 3.300 ( -0.747 -3.637 1.503) 4.005 3.362 ( 4.295 0.477 2.820) 5.161 3.462 ( -0.841 3.456 1.453) 3.842 3.522 ( -0.398 1.145 1.371) 1.830 3.531 ( -1.000 2.473 -1.760) 3.196 3.620 ( -0.849 1.988 0.052) 2.162 3.686 ( -2.613 0.239 1.757) 3.158 3.796 ( 12.230 0.722 -1.454) 12.338 3.873 ( 3.277 -2.182 -3.192) 5.068 4.014 ( -3.174 4.473 -2.959) 6.232 4.079 ( -0.626 3.774 -3.772) 5.372 4.111 ( -3.733 2.135 -1.923) 4.711 4.152 ( -2.781 4.420 -5.729) 7.752 4.269 ( -3.934 0.463 -2.310) 4.586 4.291 ( -4.237 -0.056 -4.309) 6.043 4.459 ( -6.670 1.810 -3.474) 7.735 4.533 ( -7.376 1.933 -6.234) 9.849 4.630 ( -6.839 -4.258 -6.730) 10.497 4.745 ( -2.040 -1.671 -7.388) 7.845 4.848 ( -3.143 3.480 -7.147) 8.548 4.900 ( -3.447 5.558 -1.556) 6.722 4.980 ( -3.620 0.626 -1.360) 3.917 5.047 ( -1.499 -3.060 -1.316) 3.653 5.135 ( -7.786 -4.024 3.500) 9.437 5.163 ( -3.430 -1.818 1.883) 4.314 5.330 ( 0.044 -1.462 -1.057) 1.805 5.396 ( 4.780 1.371 -0.483) 4.996 5.465 ( 2.811 0.637 -1.074) 3.075 5.522 ( 0.702 -1.936 1.920) 2.816 5.575 ( 2.345 1.370 -0.585) 2.778 5.639 ( 4.436 2.559 2.457) 5.680 5.702 ( -0.147 0.474 0.375) 0.621 5.727 ( 0.361 2.773 -1.459) 3.154 5.801 ( 4.403 -2.070 1.196) 5.010 5.828 ( 1.634 0.637 3.055) 3.523 5.897 ( -1.463 -0.577 -1.445) 2.135 5.981 ( 1.339 0.281 2.749) 3.071 6.025 ( 2.711 5.273 1.908) 6.228 6.079 ( 0.899 4.015 0.731) 4.179 6.127 ( 1.160 0.557 -0.426) 1.356 6.166 ( 0.446 1.872 -1.224) 2.281 6.230 ( 1.092 -0.832 2.850) 3.163 6.277 ( 0.251 -7.547 4.254) 8.667 6.391 ( 8.118 1.961 1.568) 8.498 6.452 ( -0.338 -5.237 1.926) 5.590 6.626 ( 2.150 -2.011 1.988) 3.552 6.641 ( 1.797 -3.705 2.087) 4.617 6.766 ( -1.385 5.137 -0.975) 5.409 6.928 ( -1.368 4.832 -4.231) 6.567 7.011 ( 0.567 4.054 -1.599) 4.395 7.083 ( 0.953 0.989 -2.173) 2.570 7.269 ( 3.444 -0.731 6.387) 7.293 7.300 ( 1.653 1.859 -0.092) 2.489 7.475 ( -11.298 3.311 2.336) 12.002 7.542 ( -9.744 -2.964 3.514) 10.774 7.595 ( -4.514 -1.318 0.615) 4.743 7.714 ( -1.877 0.301 0.879) 2.094 7.752 ( -2.999 5.747 -4.468) 7.873 7.872 ( -2.057 -0.448 -6.545) 6.876 8.026 ( -6.640 -2.105 2.968) 7.572 8.107 ( 5.554 1.461 4.001) 7.000 8.162 ( 4.443 -4.848 -7.454) 9.940 8.378 ( 9.111 2.578 -4.091) 10.315 8.546 ( 5.495 -1.134 -1.018) 5.702 8.601 ( -0.052 1.107 -3.651) 3.815 8.697 ( 1.341 1.048 -4.165) 4.499 8.725 ( 5.329 1.479 -7.731) 9.506 8.850 ( -1.009 2.650 -0.471) 2.874 8.912 ( -1.715 -0.459 -1.524) 2.339 8.989 ( -2.781 -2.237 0.309) 3.583 9.089 ( 1.360 1.558 -0.382) 2.103 9.181 ( -1.660 -2.728 4.011) 5.127 9.201 ( -3.193 -3.166 4.642) 6.463 9.376 ( 2.884 -2.134 -2.172) 4.194 9.419 ( 1.086 -1.438 0.347) 1.835 9.542 ( -3.861 -1.203 3.482) 5.337 9.613 ( -3.539 -2.154 3.270) 5.278 9.711 ( 4.022 -4.235 4.046) 7.105 9.934 ( 10.222 -3.739 7.848) 13.419 10.415 ( -5.960 -1.565 -1.450) 6.331 10.539 ( -0.307 -2.398 1.431) 2.809 11.718 ( 0.423 0.335 -4.808) 4.838 11.799 ( 3.433 -2.291 -6.254) 7.493 11.890 ( -0.557 -3.209 -3.827) 5.025 11.910 ( -0.231 -4.868 -5.491) 7.342 12.020 ( 0.107 2.310 4.427) 4.995 12.102 ( 0.725 -3.535 3.906) 5.318 12.160 ( -2.194 -2.077 5.256) 6.062 12.199 ( -1.790 -2.665 4.125) 5.227 12.661 ( 1.754 1.318 3.101) 3.798 12.692 ( 1.123 -1.440 3.972) 4.371 12.857 ( -6.071 0.286 -0.730) 6.122 12.913 ( -4.284 0.343 2.152) 4.806 13.181 ( 3.811 4.245 -3.051) 6.470 13.275 ( 3.942 0.468 0.261) 3.978 13.394 ( -0.665 1.535 -3.818) 4.169 13.422 ( -0.414 1.487 -3.198) 3.551 13.455 ( 0.403 2.220 -1.721) 2.838 13.477 ( 0.650 -1.297 -5.252) 5.448 13.608 ( -0.886 2.011 4.798) 5.277 13.682 ( 1.850 0.189 2.528) 3.138 13.996 ( -2.731 1.253 0.607) 3.065 14.056 ( -0.736 1.173 2.695) 3.030 14.105 ( -2.678 -0.495 0.102) 2.725 14.164 ( -0.495 -3.734 2.085) 4.305 14.323 ( 0.678 2.724 -1.129) 3.025 14.424 ( 2.731 -3.227 -3.678) 5.604 14.522 ( 5.349 2.324 1.821) 6.110 14.572 ( 8.113 -1.877 -0.061) 8.327 14.606 ( 1.700 2.728 4.194) 5.284 14.723 ( -2.889 -5.755 2.994) 7.102 14.895 ( -5.940 2.703 -0.416) 6.539 14.948 ( -6.349 -2.115 -2.100) 7.013 15.301 ( 0.605 0.747 4.374) 4.479 15.339 ( 1.792 1.530 5.879) 6.333 15.838 ( -0.512 5.772 -6.783) 8.921 15.893 ( 0.129 7.304 -3.982) 8.320 15.929 ( -1.503 1.440 -7.172) 7.467 16.009 ( 1.844 -2.796 -6.322) 7.155 16.117 ( 0.147 0.793 2.939) 3.047 16.155 ( 0.125 -3.560 1.781) 3.983 19.021 ( 0.536 7.112 6.383) 9.571 19.163 ( -0.846 5.581 11.171) 12.516 19.206 ( 1.378 -3.439 5.194) 6.380 19.391 ( -1.547 -9.657 11.073) 14.774 20.207 ( -0.033 4.198 -11.816) 12.540 20.348 ( -0.353 0.783 -5.318) 5.387 20.385 ( 2.503 -6.255 -8.121) 10.552 20.464 ( -1.019 -7.733 -10.563) 13.131 21.030 ( 1.040 0.296 -2.802) 3.004 21.146 ( 3.590 -1.893 -2.557) 4.797 21.363 ( -7.884 -0.290 4.561) 9.112 21.481 ( -2.388 -0.420 8.121) 8.475 21.615 ( 0.801 1.453 -2.515) 3.013 21.667 ( 2.894 0.166 0.177) 2.904 21.752 ( -0.409 -1.324 1.579) 2.101 21.774 ( 0.500 -0.258 6.755) 6.779 22.023 ( -1.206 -0.589 -1.317) 1.881 22.088 ( 2.029 0.406 -0.679) 2.178 22.183 ( -0.623 -0.393 2.964) 3.054 22.212 ( 0.667 0.080 3.539) 3.602 22.375 ( -0.188 4.583 -3.393) 5.705 22.453 ( 1.079 -1.430 -0.610) 1.892 22.517 ( -1.578 0.427 0.746) 1.796 22.529 ( -1.443 0.259 -0.305) 1.497 23.817 ( 0.599 -0.432 0.021) 0.739 23.854 ( -0.177 -2.379 -0.221) 2.396 24.075 ( -0.114 -0.418 -8.296) 8.307 24.134 ( 2.255 0.611 -3.197) 3.960 24.397 ( 0.064 2.521 7.595) 8.003 24.469 ( 1.758 -0.898 7.285) 7.548 24.513 ( -0.993 -0.809 -8.301) 8.400 24.549 ( 0.534 -0.604 -10.355) 10.386 24.664 ( 0.072 0.694 -0.887) 1.129 24.681 ( 0.494 -0.124 -1.632) 1.710 24.729 ( -2.312 -0.447 0.443) 2.396 24.767 ( -0.328 -0.700 1.187) 1.416 25.488 ( -0.745 1.048 1.959) 2.344 25.555 ( 2.289 0.837 1.449) 2.835 25.645 ( -1.846 1.284 2.795) 3.588 25.665 ( -0.380 1.295 2.204) 2.584 ======================= Grid point 52 (24/36) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.254 ( 0.000 -0.763 -0.638) 0.995 1.283 ( 0.000 0.004 5.268) 5.268 1.425 ( 0.000 -0.023 -4.589) 4.589 1.500 ( 0.000 -0.961 -0.279) 1.001 1.654 ( 0.000 0.493 0.335) 0.596 1.701 ( 0.000 4.759 0.677) 4.807 1.744 ( 0.000 -0.350 -1.096) 1.151 1.800 ( 0.000 -0.637 2.637) 2.712 1.894 ( -0.000 7.239 2.904) 7.800 1.898 ( 0.000 0.957 0.167) 0.972 1.989 ( 0.000 -0.351 2.663) 2.686 1.991 ( -0.000 -0.283 1.243) 1.275 2.059 ( 0.000 -1.099 4.203) 4.344 2.074 ( 0.000 -0.431 1.394) 1.459 2.111 ( -0.000 -2.684 3.529) 4.434 2.142 ( 0.000 -3.088 1.556) 3.458 2.254 ( -0.000 5.779 2.110) 6.152 2.285 ( 0.000 1.168 -0.327) 1.212 2.364 ( 0.000 -3.237 1.398) 3.526 2.469 ( -0.000 2.359 6.999) 7.386 2.472 ( 0.000 6.529 9.219) 11.297 2.555 ( 0.000 4.387 13.818) 14.498 2.591 ( 0.000 9.438 7.754) 12.214 2.627 ( -0.000 1.405 5.796) 5.964 2.723 ( 0.000 -8.686 -1.727) 8.856 2.847 ( 0.000 -10.099 10.060) 14.254 2.971 ( -0.000 -10.551 0.387) 10.558 2.997 ( 0.000 5.592 -1.982) 5.933 3.023 ( 0.000 -13.824 2.547) 14.057 3.121 ( 0.000 4.270 -6.010) 7.372 3.146 ( 0.000 -3.593 -5.967) 6.965 3.325 ( -0.000 4.317 4.323) 6.110 3.350 ( 0.000 0.210 -2.145) 2.155 3.479 ( 0.000 0.203 1.425) 1.439 3.522 ( 0.000 7.169 7.136) 10.115 3.559 ( 0.000 3.503 6.123) 7.054 3.669 ( 0.000 2.758 -2.373) 3.638 3.709 ( -0.000 9.997 0.062) 9.997 3.775 ( 0.000 -1.090 -5.744) 5.847 3.862 ( -0.000 -4.403 -2.361) 4.996 3.944 ( 0.000 2.025 -2.616) 3.309 4.074 ( 0.000 -3.331 -9.112) 9.702 4.085 ( -0.000 2.343 -6.407) 6.822 4.137 ( 0.000 -3.399 -4.642) 5.753 4.222 ( 0.000 5.795 -5.646) 8.091 4.268 ( 0.000 7.081 -0.483) 7.097 4.366 ( 0.000 1.156 -3.453) 3.641 4.441 ( 0.000 -0.990 0.938) 1.364 4.576 ( 0.000 -2.263 -5.864) 6.285 4.767 ( 0.000 5.987 -2.107) 6.347 4.773 ( -0.000 6.531 -4.870) 8.147 4.846 ( 0.000 1.587 -2.743) 3.169 4.983 ( 0.000 -2.403 -5.906) 6.376 5.005 ( -0.000 -3.507 3.740) 5.127 5.054 ( 0.000 -7.818 0.182) 7.820 5.107 ( 0.000 -6.462 2.408) 6.896 5.328 ( 0.000 -1.397 -1.758) 2.246 5.460 ( 0.000 6.799 -1.518) 6.966 5.514 ( 0.000 -1.099 -3.201) 3.384 5.518 ( 0.000 -0.109 0.157) 0.191 5.602 ( 0.000 -1.371 -0.399) 1.428 5.674 ( 0.000 2.006 -0.022) 2.006 5.695 ( 0.000 4.865 1.994) 5.258 5.752 ( 0.000 1.695 -2.500) 3.021 5.814 ( 0.000 0.655 -2.679) 2.758 5.878 ( 0.000 0.024 3.055) 3.055 5.883 ( 0.000 -5.535 -1.518) 5.739 5.996 ( 0.000 5.091 4.613) 6.870 6.065 ( 0.000 4.496 0.743) 4.557 6.073 ( 0.000 -1.000 2.610) 2.795 6.106 ( 0.000 4.686 -3.726) 5.987 6.194 ( 0.000 0.554 4.832) 4.864 6.245 ( 0.000 -7.118 2.719) 7.619 6.277 ( 0.000 -0.917 8.467) 8.516 6.485 ( 0.000 0.901 -3.258) 3.380 6.514 ( 0.000 0.285 5.588) 5.595 6.602 ( -0.000 -5.086 3.802) 6.350 6.625 ( 0.000 -3.948 -4.137) 5.719 6.777 ( 0.000 2.307 -0.731) 2.420 6.924 ( 0.000 7.697 1.626) 7.867 7.032 ( 0.000 7.602 -7.185) 10.461 7.101 ( -0.000 -0.515 3.243) 3.283 7.276 ( 0.000 -0.450 -5.248) 5.267 7.351 ( -0.000 -3.197 3.469) 4.718 7.358 ( 0.000 3.124 6.946) 7.616 7.413 ( 0.000 0.857 3.264) 3.375 7.519 ( 0.000 -1.131 2.071) 2.360 7.674 ( 0.000 0.557 -2.910) 2.963 7.734 ( 0.000 1.282 -1.821) 2.226 7.896 ( 0.000 -2.771 -10.766) 11.117 7.924 ( 0.000 -1.486 7.318) 7.468 8.173 ( 0.000 1.668 6.721) 6.925 8.201 ( 0.000 -4.004 -11.452) 12.131 8.496 ( 0.000 4.208 -11.781) 12.510 8.558 ( 0.000 3.288 0.779) 3.379 8.656 ( 0.000 6.749 -5.659) 8.807 8.679 ( -0.000 -3.766 1.141) 3.935 8.778 ( 0.000 1.821 -6.214) 6.476 8.863 ( -0.000 -4.196 -6.799) 7.990 8.878 ( 0.000 2.774 -1.363) 3.091 8.962 ( 0.000 -2.898 8.538) 9.016 9.116 ( 0.000 0.114 3.046) 3.048 9.143 ( -0.000 -2.665 0.953) 2.830 9.159 ( 0.000 -2.798 3.141) 4.206 9.426 ( 0.000 -0.475 1.244) 1.332 9.461 ( -0.000 -2.509 -2.223) 3.352 9.462 ( 0.000 -1.391 4.838) 5.034 9.578 ( 0.000 -1.529 2.584) 3.002 9.757 ( 0.000 -5.500 3.890) 6.736 10.063 ( 0.000 -2.873 15.261) 15.530 10.328 ( 0.000 -2.236 -9.152) 9.421 10.532 ( 0.000 -1.330 0.790) 1.547 11.723 ( 0.000 0.191 -5.053) 5.057 11.845 ( 0.000 -1.784 -8.602) 8.785 11.882 ( 0.000 -3.311 -4.354) 5.470 11.904 ( 0.000 -4.738 -5.500) 7.260 12.015 ( 0.000 0.764 7.227) 7.267 12.119 ( 0.000 -1.962 5.405) 5.750 12.144 ( 0.000 -3.741 4.940) 6.197 12.166 ( 0.000 -0.947 5.178) 5.264 12.697 ( 0.000 0.167 2.284) 2.290 12.714 ( 0.000 0.125 1.662) 1.667 12.775 ( 0.000 0.540 -0.739) 0.915 12.849 ( 0.000 0.349 3.146) 3.165 13.224 ( 0.000 2.107 -3.404) 4.003 13.319 ( -0.000 2.487 2.573) 3.578 13.389 ( 0.000 1.724 -3.546) 3.943 13.415 ( 0.000 1.375 -3.532) 3.790 13.458 ( 0.000 2.365 -0.948) 2.548 13.487 ( 0.000 -2.233 -7.657) 7.976 13.598 ( 0.000 1.982 5.091) 5.464 13.702 ( 0.000 0.274 1.897) 1.917 13.971 ( 0.000 1.071 0.850) 1.367 14.050 ( 0.000 1.938 5.407) 5.743 14.074 ( 0.000 -1.811 -1.818) 2.566 14.155 ( 0.000 -3.856 2.624) 4.664 14.343 ( 0.000 3.108 -2.093) 3.747 14.469 ( 0.000 -4.502 -5.920) 7.437 14.510 ( 0.000 4.684 5.844) 7.489 14.654 ( 0.000 -4.208 1.218) 4.381 14.710 ( 0.000 1.040 -0.363) 1.101 14.772 ( -0.000 -1.230 -1.828) 2.203 14.775 ( 0.000 0.449 3.251) 3.282 14.814 ( 0.000 -1.480 0.865) 1.714 15.309 ( 0.000 0.500 4.950) 4.975 15.358 ( 0.000 1.844 6.873) 7.116 15.833 ( 0.000 3.890 -7.325) 8.294 15.889 ( 0.000 6.236 -6.107) 8.728 15.918 ( -0.000 4.459 -5.751) 7.277 16.029 ( 0.000 -3.931 -6.895) 7.937 16.118 ( 0.000 1.504 3.481) 3.792 16.157 ( 0.000 -3.573 1.494) 3.873 19.028 ( 0.000 6.801 5.638) 8.834 19.154 ( 0.000 8.829 13.159) 15.847 19.223 ( 0.000 -6.987 2.480) 7.414 19.371 ( 0.000 -8.871 12.751) 15.534 20.207 ( 0.000 3.855 -13.268) 13.817 20.343 ( 0.000 2.034 -4.245) 4.707 20.430 ( 0.000 -7.992 -12.346) 14.706 20.437 ( -0.000 -6.819 -6.429) 9.372 21.055 ( -0.000 -0.601 -1.966) 2.056 21.188 ( 0.000 -0.844 -1.810) 1.997 21.267 ( 0.000 -0.703 3.328) 3.402 21.450 ( 0.000 -0.827 10.874) 10.906 21.623 ( 0.000 1.908 -3.835) 4.283 21.696 ( 0.000 0.355 -1.408) 1.452 21.748 ( 0.000 -1.658 0.507) 1.734 21.779 ( 0.000 -0.149 7.419) 7.420 22.010 ( 0.000 -0.843 -2.489) 2.628 22.112 ( 0.000 0.667 -0.810) 1.049 22.175 ( 0.000 -0.587 3.109) 3.164 22.219 ( 0.000 0.438 3.564) 3.591 22.374 ( 0.000 5.260 -2.736) 5.929 22.474 ( 0.000 -2.839 -2.029) 3.490 22.490 ( 0.000 0.992 1.956) 2.193 22.512 ( 0.000 0.484 0.261) 0.550 23.824 ( -0.000 -1.599 2.645) 3.091 23.852 ( 0.000 -0.874 -0.419) 0.969 24.076 ( 0.000 -0.982 -10.198) 10.245 24.158 ( 0.000 0.789 -1.738) 1.909 24.398 ( 0.000 2.287 8.212) 8.524 24.489 ( 0.000 -0.582 8.076) 8.097 24.502 ( 0.000 -1.060 -9.132) 9.194 24.555 ( 0.000 -0.775 -12.136) 12.160 24.671 ( 0.000 0.539 -1.707) 1.790 24.689 ( -0.000 -0.713 -2.194) 2.307 24.694 ( 0.000 0.350 1.391) 1.434 24.762 ( 0.000 -0.478 1.599) 1.669 25.481 ( 0.000 0.842 1.921) 2.097 25.596 ( 0.000 0.998 -1.277) 1.621 25.607 ( 0.000 1.453 5.630) 5.815 25.661 ( 0.000 1.351 1.978) 2.395 ======================= Grid point 70 (25/36) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 0.000 0.000 23.340) 23.340 1.056 ( 0.000 0.000 25.634) 25.634 1.296 ( 0.000 0.000 -7.537) 7.537 1.379 ( 0.000 0.000 2.835) 2.835 1.462 ( 0.000 0.000 -0.570) 0.570 1.506 ( 0.000 0.000 -9.230) 9.230 1.509 ( 0.000 0.000 -8.277) 8.277 1.537 ( 0.000 0.000 -3.638) 3.638 1.692 ( 0.000 0.000 13.342) 13.342 1.844 ( 0.000 0.000 1.270) 1.270 1.852 ( 0.000 0.000 0.285) 0.285 1.868 ( 0.000 0.000 -5.924) 5.924 2.063 ( 0.000 0.000 3.645) 3.645 2.127 ( 0.000 0.000 -3.250) 3.250 2.136 ( 0.000 0.000 5.024) 5.024 2.169 ( 0.000 0.000 -0.903) 0.903 2.256 ( 0.000 0.000 4.485) 4.485 2.296 ( 0.000 0.000 3.390) 3.390 2.314 ( 0.000 0.000 2.528) 2.528 2.367 ( 0.000 0.000 -2.285) 2.285 2.472 ( 0.000 0.000 0.548) 0.548 2.478 ( 0.000 0.000 -1.859) 1.859 2.505 ( 0.000 0.000 0.168) 0.168 2.559 ( 0.000 0.000 -7.259) 7.259 2.617 ( 0.000 0.000 36.232) 36.232 2.693 ( 0.000 0.000 2.930) 2.930 2.754 ( 0.000 0.000 -4.089) 4.089 2.816 ( 0.000 0.000 14.494) 14.494 3.088 ( 0.000 0.000 7.918) 7.918 3.091 ( 0.000 0.000 -8.186) 8.186 3.210 ( 0.000 0.000 -7.133) 7.133 3.336 ( 0.000 0.000 -30.957) 30.957 3.463 ( 0.000 0.000 11.596) 11.596 3.467 ( 0.000 0.000 1.458) 1.458 3.529 ( 0.000 0.000 4.326) 4.326 3.572 ( 0.000 0.000 3.017) 3.017 3.666 ( 0.000 0.000 -6.187) 6.187 3.726 ( 0.000 0.000 -0.436) 0.436 3.841 ( 0.000 0.000 4.284) 4.284 3.901 ( 0.000 0.000 -1.608) 1.608 3.918 ( 0.000 0.000 -4.854) 4.854 3.946 ( 0.000 0.000 -6.877) 6.877 4.050 ( 0.000 0.000 -2.359) 2.359 4.139 ( 0.000 0.000 -9.512) 9.512 4.196 ( 0.000 0.000 5.387) 5.387 4.285 ( 0.000 0.000 -3.880) 3.880 4.386 ( 0.000 0.000 3.704) 3.704 4.526 ( 0.000 0.000 -9.291) 9.291 4.557 ( 0.000 0.000 8.036) 8.036 4.732 ( 0.000 0.000 -8.608) 8.608 4.804 ( 0.000 0.000 9.060) 9.060 4.959 ( 0.000 0.000 -6.781) 6.781 5.020 ( 0.000 0.000 3.960) 3.960 5.084 ( 0.000 0.000 -2.762) 2.762 5.102 ( 0.000 0.000 -0.032) 0.032 5.146 ( 0.000 0.000 -4.165) 4.165 5.264 ( 0.000 0.000 4.007) 4.007 5.370 ( 0.000 0.000 -7.909) 7.909 5.406 ( 0.000 0.000 3.764) 3.764 5.419 ( 0.000 0.000 2.385) 2.385 5.494 ( 0.000 0.000 1.993) 1.993 5.564 ( 0.000 0.000 -5.070) 5.070 5.582 ( 0.000 0.000 -0.047) 0.047 5.608 ( 0.000 0.000 -3.102) 3.102 5.759 ( 0.000 0.000 4.860) 4.860 5.831 ( 0.000 0.000 3.924) 3.924 5.847 ( 0.000 0.000 -4.348) 4.348 5.866 ( 0.000 0.000 0.528) 0.528 6.065 ( 0.000 0.000 3.952) 3.952 6.084 ( 0.000 0.000 1.854) 1.854 6.103 ( 0.000 0.000 7.414) 7.414 6.187 ( 0.000 0.000 2.848) 2.848 6.253 ( 0.000 0.000 -0.017) 0.017 6.271 ( 0.000 0.000 -8.618) 8.618 6.394 ( 0.000 0.000 3.781) 3.781 6.461 ( 0.000 0.000 -2.205) 2.205 6.581 ( 0.000 0.000 3.997) 3.997 6.695 ( 0.000 0.000 7.687) 7.687 6.707 ( 0.000 0.000 -7.116) 7.116 6.849 ( 0.000 0.000 -8.128) 8.128 6.856 ( 0.000 0.000 5.149) 5.149 6.966 ( 0.000 0.000 8.460) 8.460 7.011 ( 0.000 0.000 -11.895) 11.895 7.185 ( 0.000 0.000 -13.526) 13.526 7.346 ( 0.000 0.000 2.155) 2.155 7.396 ( 0.000 0.000 -2.074) 2.074 7.512 ( 0.000 0.000 2.638) 2.638 7.565 ( 0.000 0.000 -1.859) 1.859 7.898 ( 0.000 0.000 -0.595) 0.595 7.926 ( 0.000 0.000 -4.061) 4.061 8.107 ( 0.000 0.000 6.680) 6.680 8.158 ( 0.000 0.000 4.673) 4.673 8.270 ( 0.000 0.000 1.034) 1.034 8.301 ( 0.000 0.000 11.912) 11.912 8.376 ( 0.000 0.000 -6.582) 6.582 8.490 ( 0.000 0.000 -6.634) 6.634 8.799 ( 0.000 0.000 -0.095) 0.095 8.802 ( 0.000 0.000 3.197) 3.197 8.834 ( 0.000 0.000 -2.746) 2.746 8.877 ( 0.000 0.000 -2.432) 2.432 8.955 ( 0.000 0.000 -1.148) 1.148 8.975 ( 0.000 0.000 -5.154) 5.154 9.374 ( 0.000 0.000 6.785) 6.785 9.466 ( 0.000 0.000 -3.138) 3.138 9.501 ( 0.000 0.000 11.770) 11.770 9.632 ( 0.000 0.000 -1.874) 1.874 9.862 ( 0.000 0.000 6.462) 6.462 9.983 ( 0.000 0.000 -6.431) 6.431 10.267 ( 0.000 0.000 3.075) 3.075 10.338 ( 0.000 0.000 -4.620) 4.620 10.629 ( 0.000 0.000 12.033) 12.033 10.851 ( 0.000 0.000 -11.238) 11.238 11.835 ( 0.000 0.000 3.285) 3.285 11.894 ( 0.000 0.000 -2.945) 2.945 11.996 ( 0.000 0.000 6.774) 6.774 12.131 ( 0.000 0.000 -7.567) 7.567 12.186 ( 0.000 0.000 0.647) 0.647 12.205 ( 0.000 0.000 -1.262) 1.262 12.636 ( 0.000 0.000 1.253) 1.253 12.656 ( 0.000 0.000 -1.078) 1.078 12.836 ( 0.000 0.000 3.123) 3.123 12.861 ( 0.000 0.000 2.088) 2.088 12.884 ( 0.000 0.000 -1.863) 1.863 12.893 ( 0.000 0.000 -1.265) 1.265 12.953 ( 0.000 0.000 4.298) 4.298 13.037 ( 0.000 0.000 -4.524) 4.524 13.115 ( 0.000 0.000 3.429) 3.429 13.174 ( 0.000 0.000 -2.909) 2.909 13.238 ( 0.000 0.000 6.897) 6.897 13.364 ( 0.000 0.000 -6.088) 6.088 13.544 ( 0.000 0.000 2.592) 2.592 13.585 ( 0.000 0.000 -1.724) 1.724 13.927 ( 0.000 0.000 4.823) 4.823 14.025 ( 0.000 0.000 -5.431) 5.431 14.138 ( 0.000 0.000 5.241) 5.241 14.237 ( 0.000 0.000 -4.819) 4.819 14.330 ( 0.000 0.000 0.655) 0.655 14.334 ( 0.000 0.000 0.201) 0.201 14.640 ( 0.000 0.000 1.423) 1.423 14.676 ( 0.000 0.000 -2.372) 2.372 14.689 ( 0.000 0.000 3.468) 3.468 14.789 ( 0.000 0.000 -7.001) 7.001 14.914 ( 0.000 0.000 3.814) 3.814 14.975 ( 0.000 0.000 -2.452) 2.452 15.074 ( 0.000 0.000 2.238) 2.238 15.131 ( 0.000 0.000 -4.020) 4.020 15.178 ( 0.000 0.000 0.819) 0.819 15.206 ( 0.000 0.000 -1.975) 1.975 15.742 ( 0.000 0.000 8.340) 8.340 15.879 ( 0.000 0.000 -6.397) 6.397 15.912 ( 0.000 0.000 10.858) 10.858 16.128 ( 0.000 0.000 -11.835) 11.835 18.998 ( 0.000 0.000 18.774) 18.774 19.056 ( 0.000 0.000 17.928) 17.928 19.363 ( 0.000 0.000 -19.412) 19.412 19.407 ( 0.000 0.000 -18.869) 18.869 20.468 ( 0.000 0.000 9.577) 9.577 20.477 ( 0.000 0.000 9.589) 9.589 20.653 ( 0.000 0.000 -8.928) 8.928 20.673 ( 0.000 0.000 -12.103) 12.103 21.441 ( 0.000 0.000 4.517) 4.517 21.460 ( 0.000 0.000 2.752) 2.752 21.484 ( 0.000 0.000 -0.291) 0.291 21.485 ( 0.000 0.000 0.126) 0.126 21.619 ( 0.000 0.000 9.049) 9.049 21.703 ( 0.000 0.000 2.861) 2.861 21.771 ( 0.000 0.000 -4.235) 4.235 21.773 ( 0.000 0.000 -6.358) 6.358 21.925 ( 0.000 0.000 4.533) 4.533 22.044 ( 0.000 0.000 -6.805) 6.805 22.081 ( 0.000 0.000 2.418) 2.418 22.132 ( 0.000 0.000 -2.986) 2.986 22.299 ( 0.000 0.000 3.014) 3.014 22.363 ( 0.000 0.000 -3.607) 3.607 22.433 ( 0.000 0.000 2.400) 2.400 22.474 ( 0.000 0.000 -1.723) 1.723 23.886 ( 0.000 0.000 3.045) 3.045 23.939 ( 0.000 0.000 -4.037) 4.037 24.124 ( 0.000 0.000 6.570) 6.570 24.243 ( 0.000 0.000 -5.786) 5.786 24.348 ( 0.000 0.000 -1.181) 1.181 24.379 ( 0.000 0.000 -5.585) 5.585 24.576 ( 0.000 0.000 3.086) 3.086 24.596 ( 0.000 0.000 2.647) 2.647 24.640 ( 0.000 0.000 -2.105) 2.105 24.671 ( 0.000 0.000 -4.000) 4.000 24.866 ( 0.000 0.000 4.805) 4.805 24.920 ( 0.000 0.000 -1.144) 1.144 25.450 ( 0.000 0.000 4.027) 4.027 25.491 ( 0.000 0.000 1.039) 1.039 25.498 ( 0.000 0.000 0.195) 0.195 25.505 ( 0.000 0.000 -1.962) 1.962 ======================= Grid point 71 (26/36) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( 8.500 0.000 19.246) 21.040 1.218 ( 10.310 0.000 18.535) 21.210 1.331 ( 2.125 0.000 -8.608) 8.867 1.397 ( -4.869 0.000 7.725) 9.132 1.452 ( 1.563 0.000 4.549) 4.810 1.505 ( 3.948 0.000 -5.030) 6.395 1.569 ( 4.867 0.000 -7.751) 9.152 1.593 ( 6.332 0.000 -7.702) 9.971 1.758 ( 5.526 0.000 9.518) 11.006 1.821 ( -1.702 0.000 1.644) 2.366 1.857 ( 0.223 0.000 -1.439) 1.456 1.914 ( 2.661 0.000 -5.313) 5.942 2.020 ( -2.418 0.000 1.874) 3.059 2.071 ( -6.086 0.000 -3.156) 6.856 2.107 ( -3.278 0.000 4.809) 5.820 2.150 ( -1.918 0.000 -1.291) 2.312 2.278 ( 2.063 0.000 3.427) 4.000 2.289 ( 0.314 0.000 5.240) 5.250 2.335 ( 2.490 0.000 3.300) 4.134 2.336 ( -2.497 0.000 -0.212) 2.506 2.405 ( -2.949 0.000 2.633) 3.953 2.483 ( -2.149 0.000 0.790) 2.290 2.495 ( 1.325 0.000 -3.424) 3.671 2.566 ( 0.079 0.000 -7.716) 7.716 2.659 ( 2.512 0.000 9.432) 9.760 2.712 ( 6.094 0.000 17.595) 18.621 2.794 ( -2.439 0.000 16.117) 16.301 2.810 ( 6.370 0.000 4.867) 8.017 3.076 ( -3.243 0.000 -7.825) 8.470 3.203 ( 9.456 0.000 5.376) 10.877 3.280 ( 5.771 0.000 -10.359) 11.858 3.326 ( -11.021 0.000 9.542) 14.578 3.399 ( 7.216 0.000 -17.705) 19.119 3.451 ( -5.683 0.000 -2.229) 6.104 3.530 ( -0.259 0.000 10.292) 10.295 3.610 ( 3.798 0.000 0.834) 3.888 3.685 ( -6.465 0.000 3.345) 7.279 3.699 ( 3.654 0.000 -8.226) 9.001 3.788 ( -4.195 0.000 -0.606) 4.239 3.862 ( -2.969 0.000 -0.536) 3.017 3.889 ( -5.159 0.000 -5.211) 7.333 3.924 ( 0.145 0.000 -6.576) 6.578 3.924 ( -6.692 0.000 -4.443) 8.032 4.071 ( -9.356 0.000 -12.322) 15.472 4.243 ( 4.615 0.000 6.497) 7.969 4.365 ( 7.356 0.000 -5.511) 9.192 4.407 ( -1.242 0.000 2.824) 3.085 4.512 ( 2.117 0.000 -0.898) 2.300 4.640 ( 5.697 0.000 2.030) 6.047 4.780 ( 6.265 0.000 -6.112) 8.753 4.798 ( 0.096 0.000 8.623) 8.623 4.933 ( -2.746 0.000 -4.645) 5.396 4.980 ( -3.870 0.000 2.324) 4.514 5.017 ( -7.197 0.000 1.396) 7.331 5.037 ( -5.082 0.000 -2.895) 5.848 5.117 ( -4.359 0.000 -7.454) 8.635 5.271 ( 1.201 0.000 3.483) 3.685 5.359 ( -3.108 0.000 3.344) 4.565 5.371 ( -0.929 0.000 -6.882) 6.944 5.399 ( -2.939 0.000 0.217) 2.947 5.499 ( 0.966 0.000 1.129) 1.486 5.538 ( -0.425 0.000 -3.511) 3.537 5.550 ( -1.370 0.000 1.605) 2.110 5.607 ( -1.348 0.000 -3.687) 3.926 5.786 ( 1.348 0.000 3.218) 3.489 5.815 ( -1.357 0.000 3.656) 3.900 5.852 ( 0.058 0.000 -3.839) 3.839 5.853 ( -0.842 0.000 -0.251) 0.879 6.046 ( -2.639 0.000 7.913) 8.341 6.051 ( -0.779 0.000 5.009) 5.070 6.110 ( 1.833 0.000 -1.464) 2.346 6.176 ( -1.119 0.000 -4.137) 4.285 6.288 ( 5.428 0.000 3.411) 6.411 6.406 ( 1.167 0.000 5.943) 6.056 6.409 ( 8.959 0.000 -6.501) 11.069 6.510 ( 3.309 0.000 -4.740) 5.780 6.653 ( 6.049 0.000 2.794) 6.663 6.680 ( -0.933 0.000 0.416) 1.022 6.727 ( 2.106 0.000 6.844) 7.161 6.839 ( -1.941 0.000 -1.929) 2.736 6.885 ( 1.090 0.000 3.663) 3.821 6.904 ( -4.511 0.000 4.391) 6.295 7.030 ( 1.955 0.000 -10.770) 10.946 7.114 ( -5.004 0.000 -11.612) 12.645 7.358 ( 0.828 0.000 2.405) 2.544 7.419 ( 0.989 0.000 -3.112) 3.265 7.445 ( -5.279 0.000 3.392) 6.275 7.526 ( -4.153 0.000 -4.203) 5.909 7.949 ( 5.336 0.000 -0.069) 5.336 7.983 ( 5.956 0.000 -3.306) 6.812 8.104 ( 0.392 0.000 8.841) 8.849 8.173 ( -1.321 0.000 6.489) 6.622 8.261 ( 0.928 0.000 -5.775) 5.849 8.265 ( -3.627 0.000 10.188) 10.814 8.325 ( -5.242 0.000 -8.162) 9.700 8.445 ( -4.200 0.000 -7.160) 8.301 8.726 ( -2.308 0.000 7.542) 7.887 8.759 ( -2.988 0.000 3.984) 4.980 8.836 ( -0.213 0.000 -3.478) 3.484 8.857 ( -2.564 0.000 -5.527) 6.092 9.076 ( 10.810 0.000 1.304) 10.889 9.107 ( 9.722 0.000 -2.284) 9.987 9.343 ( -3.347 0.000 6.742) 7.527 9.429 ( -4.234 0.000 -2.548) 4.941 9.524 ( 2.846 0.000 10.414) 10.796 9.667 ( 3.409 0.000 -4.437) 5.595 9.807 ( -7.733 0.000 3.816) 8.623 9.851 ( -8.705 0.000 -0.509) 8.720 10.273 ( 2.288 0.000 8.330) 8.639 10.427 ( 7.604 0.000 -7.830) 10.915 10.533 ( -8.897 0.000 11.930) 14.882 10.745 ( -8.587 0.000 -10.268) 13.386 11.864 ( 2.846 0.000 4.039) 4.941 11.941 ( 4.381 0.000 -4.029) 5.952 11.976 ( -2.088 0.000 6.283) 6.621 12.096 ( -3.129 0.000 -6.301) 7.035 12.225 ( 4.457 0.000 1.675) 4.761 12.258 ( 5.596 0.000 -1.809) 5.881 12.523 ( -8.919 0.000 3.411) 9.549 12.580 ( -8.036 0.000 -2.863) 8.531 12.837 ( 0.066 0.000 2.808) 2.809 12.848 ( -0.542 0.000 1.276) 1.387 12.864 ( -1.070 0.000 -0.264) 1.102 12.880 ( -0.478 0.000 -1.632) 1.700 12.966 ( 1.454 0.000 4.383) 4.618 13.049 ( 1.323 0.000 -4.355) 4.552 13.074 ( -3.099 0.000 4.281) 5.285 13.141 ( -3.254 0.000 -2.230) 3.945 13.343 ( 7.852 0.000 6.333) 10.088 13.485 ( 6.417 0.000 -8.111) 10.342 13.523 ( -2.268 0.000 3.265) 3.975 13.578 ( -0.756 0.000 -2.594) 2.701 13.947 ( 2.285 0.000 4.327) 4.893 14.035 ( 2.318 0.000 -4.879) 5.402 14.099 ( -3.830 0.000 5.255) 6.503 14.199 ( -3.857 0.000 -4.984) 6.302 14.401 ( 7.288 0.000 1.825) 7.513 14.429 ( 7.545 0.000 -1.005) 7.612 14.656 ( -3.731 0.000 2.649) 4.575 14.717 ( -6.469 0.000 -3.131) 7.187 14.773 ( 9.405 0.000 1.106) 9.469 14.852 ( 16.460 0.000 -8.586) 18.565 14.945 ( 1.841 0.000 1.228) 2.213 14.982 ( 0.943 0.000 -1.930) 2.148 15.068 ( -0.168 0.000 1.893) 1.901 15.122 ( -0.756 0.000 -3.952) 4.023 15.152 ( -2.543 0.000 1.570) 2.988 15.210 ( -0.389 0.000 -4.373) 4.390 15.757 ( 1.769 0.000 8.682) 8.860 15.880 ( -3.175 0.000 10.383) 10.858 15.909 ( 3.287 0.000 -7.828) 8.490 16.091 ( -3.821 0.000 -11.988) 12.582 19.006 ( 0.892 0.000 18.573) 18.594 19.048 ( -0.835 0.000 17.908) 17.927 19.365 ( 0.227 0.000 -18.758) 18.759 19.393 ( -1.227 0.000 -17.823) 17.866 20.459 ( -0.428 0.000 11.273) 11.281 20.470 ( -0.585 0.000 10.596) 10.612 20.671 ( 1.653 0.000 -10.410) 10.540 20.693 ( 1.347 0.000 -13.654) 13.721 21.442 ( 0.203 0.000 4.259) 4.264 21.457 ( -0.297 0.000 2.959) 2.974 21.485 ( 0.042 0.000 -0.315) 0.318 21.485 ( 0.040 0.000 0.081) 0.090 21.637 ( 1.764 0.000 8.379) 8.563 21.698 ( -0.625 0.000 4.057) 4.105 21.784 ( 1.090 0.000 -6.447) 6.538 21.787 ( 1.338 0.000 -5.285) 5.452 21.921 ( -0.227 0.000 4.727) 4.733 22.017 ( -5.363 0.000 3.664) 6.495 22.039 ( -0.343 0.000 -6.725) 6.734 22.089 ( -3.350 0.000 -3.880) 5.126 22.334 ( 2.822 0.000 3.037) 4.146 22.397 ( 2.706 0.000 -3.717) 4.598 22.420 ( -1.393 0.000 2.585) 2.936 22.467 ( -0.859 0.000 -2.181) 2.344 23.919 ( 3.746 0.000 4.142) 5.584 23.982 ( 4.101 0.000 -2.975) 5.067 24.108 ( -1.939 0.000 5.614) 5.940 24.194 ( -5.940 0.000 -2.351) 6.388 24.349 ( 0.285 0.000 -1.060) 1.097 24.390 ( 1.271 0.000 -6.058) 6.190 24.432 ( -6.871 0.000 4.665) 8.305 24.542 ( -6.334 0.000 -6.272) 8.913 24.698 ( 4.607 0.000 2.883) 5.434 24.742 ( 4.643 0.000 -1.954) 5.037 24.842 ( -2.507 0.000 4.596) 5.235 24.895 ( -2.626 0.000 -1.237) 2.903 25.454 ( 0.413 0.000 3.649) 3.673 25.481 ( -0.889 0.000 1.556) 1.792 25.497 ( -0.054 0.000 -0.207) 0.214 25.503 ( -0.192 0.000 -1.710) 1.721 ======================= Grid point 72 (27/36) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -6.847 0.000 10.740) 12.737 1.237 ( 6.847 0.000 10.740) 12.737 1.329 ( -0.525 0.000 2.607) 2.659 1.329 ( 0.525 0.000 2.607) 2.659 1.531 ( -2.370 0.000 3.281) 4.047 1.531 ( 2.370 0.000 3.281) 4.047 1.650 ( -0.437 0.000 -5.028) 5.047 1.650 ( 0.437 0.000 -5.028) 5.047 1.798 ( -0.007 0.000 2.753) 2.753 1.798 ( 0.007 0.000 2.753) 2.753 1.889 ( -1.836 0.000 -4.467) 4.829 1.889 ( 1.836 0.000 -4.467) 4.829 2.022 ( -1.935 0.000 4.167) 4.594 2.022 ( 1.935 0.000 4.167) 4.594 2.087 ( -3.247 0.000 -2.823) 4.303 2.087 ( 3.247 0.000 -2.823) 4.303 2.297 ( -0.523 0.000 2.938) 2.985 2.297 ( 0.523 0.000 2.938) 2.985 2.334 ( -2.878 0.000 0.972) 3.038 2.334 ( 2.878 0.000 0.972) 3.038 2.423 ( -4.168 0.000 4.329) 6.010 2.423 ( 4.168 0.000 4.329) 6.010 2.552 ( -2.017 0.000 -8.316) 8.557 2.552 ( 2.017 0.000 -8.316) 8.557 2.722 ( -3.892 0.000 14.579) 15.089 2.722 ( 3.892 0.000 14.579) 15.089 2.924 ( -12.619 0.000 2.207) 12.811 2.924 ( 12.619 0.000 2.207) 12.811 3.029 ( -17.472 0.000 12.397) 21.423 3.029 ( 17.472 0.000 12.397) 21.423 3.348 ( -5.045 0.000 -6.264) 8.043 3.348 ( 5.045 0.000 -6.264) 8.043 3.427 ( -8.415 0.000 3.898) 9.274 3.427 ( 8.415 0.000 3.898) 9.274 3.551 ( -7.538 0.000 -1.889) 7.771 3.551 ( 7.538 0.000 -1.889) 7.771 3.696 ( -5.055 0.000 -0.356) 5.068 3.696 ( 5.055 0.000 -0.356) 5.068 3.810 ( -6.311 0.000 -12.070) 13.620 3.810 ( 6.311 0.000 -12.070) 13.620 3.825 ( -0.182 0.000 -0.465) 0.500 3.825 ( 0.182 0.000 -0.465) 0.500 3.937 ( -0.937 0.000 -8.264) 8.317 3.937 ( 0.937 0.000 -8.264) 8.317 4.337 ( -2.525 0.000 6.023) 6.530 4.337 ( 2.525 0.000 6.023) 6.530 4.499 ( -5.245 0.000 -8.969) 10.390 4.499 ( 5.245 0.000 -8.969) 10.390 4.776 ( -6.454 0.000 11.473) 13.164 4.776 ( 6.454 0.000 11.473) 13.164 4.873 ( -0.267 0.000 2.682) 2.695 4.873 ( 0.267 0.000 2.682) 2.695 4.948 ( -0.015 0.000 -4.276) 4.276 4.948 ( 0.015 0.000 -4.276) 4.276 4.982 ( -6.443 0.000 -8.952) 11.030 4.982 ( 6.443 0.000 -8.952) 11.030 5.315 ( -0.661 0.000 1.017) 1.213 5.315 ( 0.661 0.000 1.017) 1.213 5.351 ( -0.000 0.000 -1.751) 1.751 5.351 ( 0.000 0.000 -1.751) 1.751 5.526 ( -1.547 0.000 1.119) 1.909 5.526 ( 1.547 0.000 1.119) 1.909 5.567 ( -0.665 0.000 -2.586) 2.670 5.567 ( 0.665 0.000 -2.586) 2.670 5.797 ( -0.048 0.000 2.849) 2.849 5.797 ( 0.048 0.000 2.849) 2.849 5.848 ( -0.014 0.000 -2.555) 2.555 5.848 ( 0.014 0.000 -2.555) 2.555 6.036 ( -0.077 0.000 6.757) 6.757 6.036 ( 0.077 0.000 6.757) 6.757 6.145 ( -1.665 0.000 -4.845) 5.123 6.145 ( 1.665 0.000 -4.845) 5.123 6.393 ( -1.966 0.000 6.210) 6.514 6.393 ( 1.966 0.000 6.210) 6.514 6.526 ( -1.488 0.000 -7.155) 7.309 6.526 ( 1.488 0.000 -7.155) 7.309 6.694 ( -3.102 0.000 4.282) 5.287 6.694 ( 3.102 0.000 4.282) 5.287 6.780 ( -4.866 0.000 -1.805) 5.190 6.780 ( 4.866 0.000 -1.805) 5.190 6.873 ( -1.903 0.000 8.287) 8.502 6.873 ( 1.903 0.000 8.287) 8.502 7.059 ( -0.733 0.000 -8.085) 8.118 7.059 ( 0.733 0.000 -8.085) 8.118 7.378 ( -0.733 0.000 1.363) 1.547 7.378 ( 0.733 0.000 1.363) 1.547 7.445 ( -1.860 0.000 -4.997) 5.332 7.445 ( 1.860 0.000 -4.997) 5.332 8.073 ( -3.725 0.000 3.032) 4.803 8.073 ( 3.725 0.000 3.032) 4.803 8.106 ( -1.278 0.000 3.858) 4.064 8.106 ( 1.278 0.000 3.858) 4.064 8.214 ( -1.023 0.000 0.447) 1.116 8.214 ( 1.023 0.000 0.447) 1.116 8.349 ( -4.692 0.000 -8.688) 9.874 8.349 ( 4.692 0.000 -8.688) 9.874 8.721 ( -0.249 0.000 7.674) 7.678 8.721 ( 0.249 0.000 7.674) 7.678 8.831 ( -0.014 0.000 -3.628) 3.628 8.831 ( 0.014 0.000 -3.628) 3.628 9.245 ( -6.849 0.000 4.975) 8.465 9.245 ( 6.849 0.000 4.975) 8.465 9.300 ( -9.219 0.000 -1.531) 9.345 9.300 ( 9.219 0.000 -1.531) 9.345 9.623 ( -5.342 0.000 7.510) 9.216 9.623 ( 5.342 0.000 7.510) 9.216 9.745 ( -1.998 0.000 -5.520) 5.871 9.745 ( 1.998 0.000 -5.520) 5.871 10.367 ( -4.765 0.000 12.657) 13.525 10.367 ( 4.765 0.000 12.657) 13.525 10.583 ( -6.494 0.000 -10.299) 12.175 10.583 ( 6.494 0.000 -10.299) 12.175 11.925 ( -0.969 0.000 5.314) 5.402 11.925 ( 0.969 0.000 5.314) 5.402 12.026 ( -1.293 0.000 -5.478) 5.629 12.026 ( 1.293 0.000 -5.478) 5.629 12.352 ( -6.517 0.000 2.976) 7.165 12.352 ( 6.517 0.000 2.976) 7.165 12.404 ( -8.027 0.000 -2.550) 8.423 12.404 ( 8.027 0.000 -2.550) 8.423 12.839 ( -0.006 0.000 2.044) 2.044 12.839 ( 0.006 0.000 2.044) 2.044 12.868 ( -0.042 0.000 -0.937) 0.938 12.868 ( 0.042 0.000 -0.937) 0.938 13.010 ( -0.965 0.000 4.393) 4.497 13.010 ( 0.965 0.000 4.393) 4.497 13.086 ( -0.567 0.000 -3.542) 3.588 13.086 ( 0.567 0.000 -3.542) 3.588 13.460 ( -2.791 0.000 4.841) 5.588 13.460 ( 2.791 0.000 4.841) 5.588 13.554 ( -0.657 0.000 -4.938) 4.982 13.554 ( 0.657 0.000 -4.938) 4.982 14.015 ( -3.484 0.000 4.962) 6.063 14.015 ( 3.484 0.000 4.962) 6.063 14.110 ( -3.868 0.000 -4.968) 6.296 14.110 ( 3.868 0.000 -4.968) 6.296 14.550 ( -5.415 0.000 1.596) 5.646 14.550 ( 5.415 0.000 1.596) 5.646 14.577 ( -6.721 0.000 -0.975) 6.791 14.577 ( 6.721 0.000 -0.975) 6.791 14.930 ( -1.898 0.000 3.080) 3.618 14.930 ( 1.898 0.000 3.080) 3.618 15.001 ( -0.000 0.000 -2.511) 2.511 15.001 ( 0.000 0.000 -2.511) 2.511 15.102 ( -0.414 0.000 -1.065) 1.143 15.102 ( 0.414 0.000 -1.065) 1.143 15.158 ( -4.100 0.000 -7.684) 8.709 15.158 ( 4.100 0.000 -7.684) 8.709 15.810 ( -0.860 0.000 9.342) 9.382 15.810 ( 0.860 0.000 9.342) 9.382 15.997 ( -2.660 0.000 -10.928) 11.247 15.997 ( 2.660 0.000 -10.928) 11.247 19.028 ( -0.350 0.000 18.147) 18.150 19.028 ( 0.350 0.000 18.147) 18.150 19.373 ( -0.079 0.000 -17.588) 17.588 19.373 ( 0.079 0.000 -17.588) 17.588 20.460 ( -0.024 0.000 11.977) 11.977 20.460 ( 0.024 0.000 11.977) 11.977 20.698 ( -0.521 0.000 -13.126) 13.136 20.698 ( 0.521 0.000 -13.126) 13.136 21.449 ( -0.012 0.000 3.592) 3.592 21.449 ( 0.012 0.000 3.592) 3.592 21.485 ( -0.000 0.000 -0.171) 0.171 21.485 ( 0.000 0.000 -0.171) 0.171 21.675 ( -1.715 0.000 6.446) 6.670 21.675 ( 1.715 0.000 6.446) 6.670 21.801 ( -0.064 0.000 -6.685) 6.685 21.801 ( 0.064 0.000 -6.685) 6.685 21.936 ( -1.659 0.000 5.206) 5.464 21.936 ( 1.659 0.000 5.206) 5.464 22.043 ( -0.495 0.000 -5.847) 5.868 22.043 ( 0.495 0.000 -5.847) 5.868 22.384 ( -2.017 0.000 2.893) 3.527 22.384 ( 2.017 0.000 2.893) 3.527 22.441 ( -1.862 0.000 -3.115) 3.629 22.441 ( 1.862 0.000 -3.115) 3.629 24.027 ( -3.322 0.000 5.146) 6.125 24.027 ( 3.322 0.000 5.146) 6.125 24.070 ( -4.202 0.000 0.553) 4.238 24.070 ( 4.202 0.000 0.553) 4.238 24.364 ( -0.337 0.000 0.140) 0.365 24.364 ( 0.337 0.000 0.140) 0.365 24.438 ( -3.224 0.000 -7.241) 7.926 24.438 ( 3.224 0.000 -7.241) 7.926 24.779 ( -2.225 0.000 3.925) 4.512 24.779 ( 2.225 0.000 3.925) 4.512 24.828 ( -3.228 0.000 -1.478) 3.550 24.828 ( 3.228 0.000 -1.478) 3.550 25.465 ( -0.212 0.000 2.667) 2.676 25.465 ( 0.212 0.000 2.667) 2.676 25.498 ( -0.021 0.000 -1.042) 1.042 25.498 ( 0.021 0.000 -1.042) 1.042 ======================= Grid point 75 (28/36) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 0.000 7.424 19.974) 21.309 1.197 ( 0.000 10.945 12.578) 16.673 1.398 ( 0.000 3.854 0.775) 3.931 1.438 ( 0.000 -1.102 -1.238) 1.657 1.500 ( 0.000 -0.208 -4.265) 4.270 1.533 ( 0.000 12.204 4.229) 12.916 1.586 ( 0.000 7.300 -8.404) 11.132 1.712 ( 0.000 11.777 -8.862) 14.739 1.787 ( 0.000 8.069 9.833) 12.720 1.853 ( 0.000 0.205 0.487) 0.529 1.858 ( 0.000 1.213 0.299) 1.249 1.893 ( 0.000 3.206 -2.547) 4.094 2.009 ( 0.000 -0.958 4.313) 4.418 2.070 ( 0.000 -2.269 -2.260) 3.203 2.171 ( 0.000 -0.041 -0.140) 0.146 2.182 ( 0.000 0.273 -1.248) 1.277 2.256 ( 0.000 1.940 4.107) 4.542 2.270 ( 0.000 1.543 1.069) 1.877 2.367 ( 0.000 1.803 2.350) 2.962 2.377 ( 0.000 -0.041 0.435) 0.437 2.483 ( 0.000 -0.296 3.898) 3.910 2.497 ( 0.000 -1.790 -0.120) 1.794 2.519 ( 0.000 2.987 4.387) 5.307 2.614 ( 0.000 4.310 -5.934) 7.334 2.663 ( 0.000 4.115 24.907) 25.245 2.708 ( 0.000 0.682 5.625) 5.666 2.729 ( 0.000 0.636 5.542) 5.578 2.963 ( 0.000 9.488 -2.021) 9.701 3.053 ( 0.000 0.873 10.167) 10.204 3.157 ( 0.000 3.848 -4.498) 5.919 3.178 ( 0.000 -1.981 -5.642) 5.979 3.263 ( 0.000 -5.362 -17.302) 18.114 3.356 ( 0.000 -4.328 6.364) 7.697 3.439 ( 0.000 -1.715 -0.742) 1.868 3.512 ( 0.000 -1.708 2.553) 3.071 3.622 ( 0.000 1.262 5.498) 5.641 3.634 ( 0.000 -0.163 -7.742) 7.744 3.749 ( 0.000 -3.368 2.972) 4.492 3.784 ( 0.000 0.201 -3.165) 3.171 3.854 ( 0.000 0.190 -2.802) 2.809 3.944 ( 0.000 0.126 -3.356) 3.359 3.990 ( 0.000 -4.156 -6.779) 7.951 4.066 ( 0.000 2.230 2.358) 3.246 4.100 ( 0.000 -5.716 1.870) 6.015 4.150 ( 0.000 0.481 3.513) 3.545 4.254 ( 0.000 3.067 -9.570) 10.049 4.427 ( 0.000 1.319 -0.032) 1.319 4.513 ( 0.000 -3.591 -8.016) 8.784 4.562 ( 0.000 -1.512 3.299) 3.629 4.696 ( 0.000 -4.918 -9.810) 10.974 4.833 ( 0.000 4.718 4.806) 6.735 4.930 ( 0.000 3.147 -4.994) 5.902 5.027 ( 0.000 -7.017 1.409) 7.157 5.055 ( 0.000 -5.867 -0.887) 5.933 5.105 ( 0.000 -2.246 1.633) 2.777 5.135 ( 0.000 0.155 -2.196) 2.202 5.255 ( 0.000 4.322 -1.146) 4.471 5.268 ( 0.000 5.673 -1.164) 5.791 5.450 ( 0.000 -0.844 0.456) 0.959 5.477 ( 0.000 -0.367 -1.092) 1.152 5.558 ( 0.000 3.656 2.628) 4.502 5.566 ( 0.000 4.269 3.501) 5.521 5.632 ( 0.000 5.022 -0.611) 5.059 5.680 ( 0.000 3.443 -2.837) 4.461 5.765 ( 0.000 -0.192 0.522) 0.556 5.788 ( 0.000 -3.430 -2.083) 4.013 5.838 ( 0.000 1.103 2.750) 2.963 5.868 ( 0.000 0.370 0.392) 0.539 6.006 ( 0.000 -1.346 3.101) 3.381 6.042 ( 0.000 -2.633 0.606) 2.701 6.189 ( 0.000 -3.357 1.235) 3.577 6.194 ( 0.000 -0.382 2.170) 2.203 6.312 ( 0.000 7.833 4.993) 9.289 6.347 ( 0.000 4.596 -2.505) 5.235 6.411 ( 0.000 4.346 1.615) 4.637 6.425 ( 0.000 -2.443 -2.941) 3.824 6.577 ( 0.000 -0.525 2.019) 2.086 6.652 ( 0.000 -4.096 -5.925) 7.203 6.753 ( 0.000 4.554 7.459) 8.739 6.867 ( 0.000 0.446 -4.264) 4.287 6.937 ( 0.000 6.640 0.887) 6.699 7.001 ( 0.000 1.667 -7.317) 7.504 7.049 ( 0.000 6.800 11.885) 13.693 7.277 ( 0.000 -7.059 1.302) 7.178 7.310 ( 0.000 0.290 -8.170) 8.175 7.340 ( 0.000 5.516 -10.624) 11.971 7.531 ( 0.000 -0.261 -0.357) 0.442 7.560 ( 0.000 2.515 -2.115) 3.286 7.858 ( 0.000 -3.432 4.296) 5.499 7.927 ( 0.000 2.455 -0.894) 2.613 8.148 ( 0.000 2.649 7.613) 8.061 8.169 ( 0.000 0.335 5.689) 5.699 8.244 ( 0.000 -2.481 3.748) 4.494 8.326 ( 0.000 3.015 -6.180) 6.876 8.409 ( 0.000 0.641 -0.601) 0.878 8.464 ( 0.000 -3.587 -3.452) 4.978 8.697 ( 0.000 -6.046 -0.605) 6.077 8.710 ( 0.000 -3.259 -1.728) 3.689 8.874 ( 0.000 0.730 1.928) 2.062 8.897 ( 0.000 -0.661 0.101) 0.669 8.950 ( 0.000 -0.625 -1.425) 1.556 8.984 ( 0.000 0.835 -6.034) 6.091 9.375 ( 0.000 -0.053 5.189) 5.189 9.444 ( 0.000 -2.217 -1.934) 2.942 9.468 ( 0.000 -3.079 7.496) 8.104 9.549 ( 0.000 -6.036 -1.226) 6.159 9.802 ( 0.000 -3.538 7.024) 7.865 9.890 ( 0.000 -5.133 -1.306) 5.297 10.143 ( 0.000 -10.469 4.040) 11.222 10.224 ( 0.000 -10.091 -4.815) 11.181 10.628 ( 0.000 -0.802 9.428) 9.462 10.795 ( 0.000 -4.877 -7.644) 9.067 11.784 ( 0.000 -3.831 2.311) 4.474 11.839 ( 0.000 -4.207 -3.537) 5.496 11.999 ( 0.000 0.439 4.944) 4.964 12.071 ( 0.000 -0.822 -3.030) 3.140 12.235 ( 0.000 -1.117 2.119) 2.396 12.295 ( 0.000 -2.126 -4.276) 4.776 12.514 ( 0.000 -10.668 0.508) 10.681 12.521 ( 0.000 -8.083 -0.074) 8.083 12.694 ( 0.000 -4.560 1.737) 4.879 12.733 ( 0.000 -1.495 -2.654) 3.046 12.948 ( 0.000 0.989 1.652) 1.926 12.949 ( 0.000 -0.338 3.828) 3.843 13.023 ( 0.000 -0.644 1.432) 1.570 13.055 ( 0.000 5.333 -0.522) 5.359 13.182 ( 0.000 6.492 0.638) 6.523 13.211 ( 0.000 4.332 -2.359) 4.932 13.287 ( 0.000 3.537 3.031) 4.658 13.375 ( 0.000 0.901 -5.759) 5.829 13.575 ( 0.000 2.149 2.895) 3.605 13.612 ( 0.000 1.929 -1.131) 2.236 13.954 ( 0.000 2.356 4.264) 4.872 14.039 ( 0.000 1.168 -4.359) 4.513 14.136 ( 0.000 -0.039 3.977) 3.977 14.215 ( 0.000 -1.308 -3.994) 4.203 14.327 ( 0.000 0.204 1.167) 1.184 14.348 ( 0.000 0.673 -1.190) 1.367 14.566 ( 0.000 -3.993 1.580) 4.294 14.606 ( 0.000 -4.551 -2.764) 5.325 14.736 ( 0.000 0.928 5.594) 5.670 14.838 ( 0.000 2.264 -5.606) 6.046 14.867 ( 0.000 0.002 6.783) 6.783 15.022 ( 0.000 -0.315 -9.379) 9.385 15.209 ( 0.000 3.385 2.008) 3.936 15.243 ( 0.000 4.601 -1.210) 4.758 15.320 ( 0.000 16.065 0.222) 16.066 15.374 ( 0.000 18.509 -6.939) 19.767 15.683 ( 0.000 -2.389 9.271) 9.574 15.855 ( 0.000 -1.622 -8.278) 8.436 16.007 ( 0.000 6.022 7.034) 9.260 16.154 ( 0.000 1.783 -8.587) 8.770 19.019 ( 0.000 2.103 17.038) 17.167 19.123 ( 0.000 5.776 18.851) 19.716 19.344 ( 0.000 -1.382 -16.957) 17.013 19.484 ( 0.000 6.038 -18.094) 19.075 20.293 ( 0.000 -11.854 14.107) 18.427 20.464 ( 0.000 -3.654 6.655) 7.592 20.583 ( 0.000 -8.126 -15.025) 17.082 20.604 ( 0.000 -4.907 -9.035) 10.281 21.189 ( 0.000 -11.025 3.719) 11.635 21.252 ( 0.000 -9.353 -3.288) 9.914 21.563 ( 0.000 0.415 3.841) 3.864 21.573 ( 0.000 -1.243 1.946) 2.309 21.663 ( 0.000 2.272 8.514) 8.812 21.724 ( 0.000 1.125 2.083) 2.367 21.782 ( 0.000 1.265 -1.338) 1.841 21.857 ( 0.000 3.380 -7.413) 8.147 21.906 ( 0.000 1.048 5.014) 5.123 22.022 ( 0.000 -0.919 -6.190) 6.257 22.122 ( 0.000 3.632 1.012) 3.771 22.150 ( 0.000 1.463 -2.162) 2.611 22.359 ( 0.000 4.380 1.899) 4.774 22.382 ( 0.000 0.114 0.040) 0.121 22.443 ( 0.000 1.886 1.244) 2.260 22.487 ( 0.000 0.871 -2.412) 2.565 23.880 ( 0.000 -0.439 4.638) 4.659 23.946 ( 0.000 0.846 -3.200) 3.310 24.140 ( 0.000 -0.756 5.295) 5.349 24.181 ( 0.000 -7.275 -1.945) 7.531 24.298 ( 0.000 -5.500 -5.511) 7.786 24.347 ( 0.000 0.830 -6.818) 6.868 24.534 ( 0.000 -1.599 4.943) 5.195 24.571 ( 0.000 -0.682 1.553) 1.696 24.626 ( 0.000 -1.224 -1.649) 2.054 24.641 ( 0.000 0.243 -2.090) 2.104 24.864 ( 0.000 -1.374 2.977) 3.278 24.895 ( 0.000 -2.781 -0.342) 2.802 25.468 ( 0.000 1.256 2.051) 2.405 25.488 ( 0.000 0.786 -0.154) 0.801 25.554 ( 0.000 4.547 1.212) 4.706 25.566 ( 0.000 4.124 -0.003) 4.124 ======================= Grid point 76 (29/36) ======================= q-point: ( 0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 4.404 6.232 10.010) 12.587 1.306 ( 9.119 6.134 10.703) 15.340 1.371 ( 0.856 4.258 2.204) 4.870 1.430 ( -0.862 0.226 4.543) 4.629 1.511 ( -1.324 4.098 -1.840) 4.684 1.545 ( 1.654 5.015 -0.040) 5.281 1.667 ( 5.962 7.965 -4.606) 10.963 1.728 ( 0.278 9.026 -4.513) 10.095 1.800 ( -0.070 2.575 2.944) 3.912 1.848 ( -0.099 0.458 -0.697) 0.840 1.889 ( 4.124 3.874 2.567) 6.214 1.915 ( 0.079 -0.520 0.688) 0.866 1.998 ( 1.392 2.337 2.205) 3.502 2.068 ( -0.555 3.367 -3.063) 4.586 2.161 ( -1.011 0.340 0.370) 1.129 2.176 ( -1.406 2.224 -1.385) 2.973 2.271 ( 2.824 1.341 3.554) 4.733 2.299 ( 2.135 2.445 0.275) 3.258 2.355 ( 0.195 1.557 3.278) 3.634 2.406 ( 0.535 2.781 -1.454) 3.184 2.449 ( -3.631 4.080 2.497) 6.005 2.464 ( -0.372 -2.688 1.050) 2.910 2.507 ( -0.552 2.172 1.555) 2.728 2.579 ( -2.039 2.187 -5.542) 6.297 2.676 ( 3.466 2.107 13.077) 13.692 2.742 ( 4.334 3.077 15.620) 16.499 2.795 ( 5.895 1.829 8.207) 10.269 2.942 ( 0.004 9.235 8.368) 12.462 3.100 ( 0.399 2.506 -0.702) 2.633 3.179 ( 2.767 -2.714 1.196) 4.056 3.254 ( 3.874 -0.801 -7.694) 8.652 3.310 ( 5.364 -2.992 -3.737) 7.190 3.368 ( -0.544 -1.672 -0.986) 2.015 3.441 ( 0.223 -1.229 2.387) 2.694 3.462 ( -4.329 -1.385 -3.392) 5.672 3.581 ( -3.576 -2.736 0.938) 4.600 3.668 ( 0.943 1.176 -3.871) 4.154 3.702 ( -2.870 -3.482 0.468) 4.537 3.768 ( -3.578 1.786 -4.673) 6.151 3.814 ( -3.564 -0.331 -1.142) 3.757 3.867 ( -4.255 -2.872 -0.918) 5.215 3.946 ( -0.024 -1.470 -2.443) 2.851 4.003 ( -4.975 2.765 -1.751) 5.955 4.103 ( -7.268 2.075 -6.723) 10.116 4.178 ( 2.050 -2.587 2.648) 4.232 4.283 ( 5.482 -4.051 0.015) 6.817 4.408 ( -2.529 -2.124 -5.069) 6.050 4.472 ( -0.268 -4.938 -3.793) 6.233 4.619 ( 3.322 -0.652 1.389) 3.660 4.723 ( 3.894 -3.774 -5.794) 7.936 4.828 ( -1.435 -0.446 3.731) 4.022 4.919 ( -5.768 -4.088 -2.949) 7.660 4.950 ( -3.826 -0.804 -0.798) 3.990 5.005 ( -1.261 -3.354 -2.346) 4.283 5.090 ( -2.729 4.230 1.868) 5.369 5.150 ( -0.139 -0.386 -2.417) 2.452 5.220 ( -3.140 2.953 -1.218) 4.479 5.250 ( -0.346 1.277 -2.682) 2.991 5.391 ( -3.783 0.696 2.531) 4.605 5.463 ( -1.448 3.572 -3.677) 5.327 5.566 ( 1.592 2.514 1.387) 3.283 5.588 ( 0.839 3.931 0.811) 4.100 5.614 ( -0.491 5.267 2.778) 5.975 5.697 ( 0.226 3.395 -3.442) 4.840 5.758 ( -0.359 -0.563 1.796) 1.916 5.807 ( 1.251 -0.258 -2.157) 2.507 5.829 ( -0.908 0.210 3.290) 3.420 5.868 ( -0.315 1.174 -0.443) 1.294 5.991 ( -0.203 -2.458 6.217) 6.689 6.083 ( 1.839 -1.261 -1.460) 2.665 6.108 ( -3.305 -0.204 3.491) 4.811 6.203 ( -2.460 -0.508 -5.490) 6.037 6.352 ( 6.446 6.327 4.074) 9.908 6.418 ( 5.428 1.003 -0.737) 5.569 6.475 ( 6.469 3.854 0.598) 7.554 6.502 ( 4.444 0.071 0.122) 4.446 6.623 ( 3.980 -0.830 1.474) 4.324 6.658 ( 0.548 -1.770 -2.951) 3.484 6.758 ( -0.092 1.001 6.413) 6.491 6.840 ( -3.689 0.631 -0.371) 3.761 6.901 ( -4.647 3.154 0.269) 5.622 6.979 ( -0.042 2.799 0.650) 2.874 7.012 ( -1.872 2.648 -0.241) 3.251 7.148 ( -7.082 -0.180 -5.864) 9.197 7.354 ( 2.471 -0.689 0.913) 2.722 7.424 ( 4.684 5.042 -8.438) 10.888 7.523 ( -4.466 3.647 1.238) 5.897 7.547 ( 0.336 2.725 -1.632) 3.194 7.881 ( 3.541 -5.262 1.934) 6.631 7.935 ( 0.091 -2.156 -2.772) 3.513 8.091 ( -0.839 -2.093 9.957) 10.209 8.194 ( -2.232 -0.360 3.874) 4.485 8.227 ( 0.385 1.873 0.642) 2.017 8.318 ( -0.460 1.386 -9.726) 9.835 8.396 ( -3.095 4.733 0.485) 5.676 8.462 ( -1.039 0.272 -2.329) 2.565 8.662 ( -2.220 -4.661 4.423) 6.798 8.708 ( 0.840 -2.654 1.919) 3.381 8.815 ( -0.976 -1.566 -1.839) 2.605 8.855 ( -3.711 -0.045 -5.021) 6.244 9.073 ( 9.275 -0.962 1.730) 9.484 9.102 ( 8.452 -0.653 -1.569) 8.621 9.339 ( -3.696 -0.823 4.561) 5.928 9.391 ( -4.294 -3.132 -0.806) 5.376 9.500 ( 2.251 -2.347 5.893) 6.731 9.581 ( 2.654 -5.592 -2.507) 6.678 9.764 ( -4.474 -3.075 5.753) 7.910 9.836 ( -3.601 -1.920 -1.429) 4.324 10.163 ( 3.062 -8.888 8.885) 12.935 10.311 ( 7.284 -9.488 -6.223) 13.484 10.546 ( -7.674 -0.096 8.432) 11.402 10.708 ( -7.641 -3.575 -7.878) 11.542 11.799 ( 1.187 -4.410 2.601) 5.255 11.863 ( 1.839 -5.107 -4.284) 6.915 12.008 ( 0.747 1.721 5.886) 6.177 12.098 ( 2.698 0.277 -3.662) 4.557 12.237 ( 0.383 -3.653 0.959) 3.796 12.262 ( -0.975 -3.466 -1.771) 4.013 12.461 ( -4.752 -6.314 1.789) 8.102 12.490 ( -3.877 -6.997 -1.007) 8.062 12.702 ( 0.940 -3.998 1.333) 4.318 12.727 ( -0.312 -2.147 -1.482) 2.628 12.848 ( -5.002 -2.520 2.379) 6.085 12.878 ( -5.094 -1.700 -0.341) 5.381 13.075 ( 2.900 5.527 2.880) 6.874 13.115 ( 2.273 6.381 -1.231) 6.884 13.175 ( -0.899 6.717 2.071) 7.087 13.226 ( 0.142 4.704 -2.889) 5.522 13.333 ( 4.705 -0.354 4.452) 6.487 13.444 ( 4.692 -2.305 -6.625) 8.439 13.559 ( -1.597 2.693 3.547) 4.731 13.613 ( 0.046 2.425 -2.166) 3.252 13.959 ( 0.929 1.171 3.912) 4.187 14.039 ( 1.108 0.339 -4.408) 4.558 14.106 ( -2.809 0.595 4.886) 5.667 14.201 ( -2.344 0.223 -4.895) 5.432 14.370 ( 4.604 -2.318 2.455) 5.709 14.415 ( 6.239 -0.939 -2.088) 6.646 14.629 ( 1.308 -2.485 1.991) 3.443 14.658 ( 2.639 -4.078 -1.743) 5.161 14.736 ( 2.436 -2.280 1.545) 3.677 14.759 ( -1.741 -0.279 -0.026) 1.763 14.915 ( 0.882 -1.225 2.690) 3.084 15.018 ( -1.550 -3.044 -6.316) 7.180 15.222 ( 1.033 6.334 2.096) 6.751 15.235 ( 1.137 8.843 0.578) 8.934 15.343 ( 1.151 13.578 -3.184) 13.993 15.383 ( 0.685 16.369 -8.404) 18.413 15.682 ( -0.118 -2.673 9.891) 10.247 15.874 ( 1.900 -2.087 -10.122) 10.508 15.996 ( -1.009 6.713 6.456) 9.369 16.133 ( -2.009 2.709 -8.325) 8.982 19.021 ( 0.168 1.872 16.613) 16.719 19.121 ( -0.171 5.950 19.073) 19.980 19.333 ( -0.898 -1.389 -15.752) 15.839 19.484 ( 0.007 6.263 -18.010) 19.068 20.293 ( 0.064 -11.505 14.707) 18.672 20.460 ( -0.348 -3.512 7.316) 8.123 20.601 ( 1.451 -8.524 -16.146) 18.316 20.615 ( 0.845 -5.511 -9.986) 11.437 21.201 ( 1.078 -9.844 4.054) 10.701 21.265 ( 1.145 -8.694 -3.032) 9.278 21.521 ( -2.925 -2.405 4.458) 5.849 21.571 ( -1.228 -0.058 0.178) 1.242 21.659 ( 0.188 -0.615 7.609) 7.636 21.743 ( 1.221 3.084 4.714) 5.764 21.790 ( 0.769 -0.069 -3.748) 3.827 21.862 ( 0.158 1.874 -5.472) 5.786 21.921 ( 1.890 3.565 3.995) 5.678 22.013 ( -0.952 -0.326 -3.690) 3.825 22.075 ( -4.048 4.161 0.364) 5.817 22.118 ( -2.553 2.465 -3.674) 5.109 22.372 ( 0.962 1.873 3.164) 3.800 22.405 ( 1.744 0.858 0.649) 2.049 22.446 ( 0.304 2.379 -0.277) 2.414 22.478 ( -0.905 0.826 -2.362) 2.661 23.887 ( 0.835 -1.813 5.675) 6.016 23.979 ( 3.097 -0.012 -2.841) 4.203 24.104 ( -2.947 -3.287 3.648) 5.727 24.193 ( 0.275 -0.269 -2.718) 2.746 24.284 ( -0.888 -4.405 -1.102) 4.627 24.371 ( 2.079 -0.441 -7.503) 7.798 24.465 ( -3.969 2.270 3.772) 5.927 24.548 ( -3.873 0.863 -4.109) 5.712 24.653 ( 3.884 -2.164 2.832) 5.271 24.693 ( 3.650 -2.638 -1.428) 4.724 24.840 ( -2.436 -1.437 2.599) 3.841 24.868 ( -2.601 -2.592 -0.345) 3.688 25.468 ( -0.040 1.220 2.258) 2.567 25.492 ( 0.517 1.132 -0.269) 1.273 25.542 ( -1.118 4.276 1.522) 4.674 25.558 ( -0.701 3.835 -0.142) 3.901 ======================= Grid point 77 (30/36) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 0.000 2.384 4.501) 5.093 1.334 ( 0.000 0.096 -2.233) 2.235 1.397 ( 0.000 5.599 6.371) 8.481 1.477 ( 0.000 9.556 -0.684) 9.580 1.565 ( 0.000 0.663 5.810) 5.848 1.574 ( 0.000 1.480 1.878) 2.391 1.592 ( -0.000 8.350 11.818) 14.470 1.770 ( -0.000 4.624 -4.909) 6.744 1.781 ( 0.000 0.138 0.463) 0.483 1.880 ( -0.000 1.739 -6.566) 6.793 1.891 ( 0.000 0.272 2.283) 2.300 1.935 ( 0.000 -0.645 -2.137) 2.232 2.008 ( 0.000 7.265 5.825) 9.312 2.109 ( -0.000 6.771 -3.994) 7.861 2.128 ( 0.000 2.254 0.956) 2.449 2.156 ( 0.000 2.829 -2.400) 3.709 2.302 ( -0.000 0.510 2.791) 2.837 2.325 ( 0.000 4.261 4.387) 6.116 2.346 ( 0.000 1.781 -2.417) 3.002 2.384 ( 0.000 3.931 -0.924) 4.038 2.441 ( 0.000 1.397 2.401) 2.778 2.474 ( 0.000 2.999 3.959) 4.967 2.496 ( 0.000 -3.821 -2.103) 4.362 2.557 ( 0.000 1.367 -3.622) 3.871 2.775 ( 0.000 9.651 15.428) 18.198 2.795 ( -0.000 4.868 11.972) 12.924 2.981 ( -0.000 6.209 1.436) 6.373 2.987 ( 0.000 3.791 4.259) 5.702 3.057 ( -0.000 2.164 5.405) 5.822 3.071 ( 0.000 3.145 14.839) 15.168 3.291 ( 0.000 -5.807 6.974) 9.075 3.333 ( -0.000 -4.705 -6.140) 7.736 3.360 ( 0.000 1.590 -11.120) 11.233 3.411 ( 0.000 -1.893 4.390) 4.781 3.494 ( -0.000 -4.141 -9.289) 10.170 3.550 ( 0.000 -1.585 1.324) 2.065 3.643 ( 0.000 -2.557 -5.722) 6.267 3.672 ( 0.000 -1.589 0.708) 1.740 3.726 ( 0.000 -0.773 2.276) 2.404 3.768 ( 0.000 -0.873 -12.879) 12.908 3.832 ( 0.000 0.247 -1.709) 1.727 3.929 ( 0.000 2.429 1.468) 2.839 3.946 ( 0.000 0.581 -5.841) 5.869 4.028 ( 0.000 3.892 -7.360) 8.326 4.246 ( 0.000 -2.631 6.671) 7.171 4.258 ( -0.000 -11.276 5.523) 12.556 4.433 ( 0.000 -5.237 -11.439) 12.581 4.463 ( 0.000 -1.315 -10.983) 11.062 4.712 ( 0.000 -4.977 6.273) 8.008 4.733 ( 0.000 -0.787 8.041) 8.080 4.804 ( 0.000 -7.889 1.633) 8.056 4.824 ( 0.000 -7.480 -4.855) 8.918 4.918 ( 0.000 0.731 -4.657) 4.714 5.015 ( 0.000 4.790 6.079) 7.739 5.026 ( -0.000 2.612 -9.921) 10.259 5.132 ( 0.000 4.924 -5.772) 7.586 5.199 ( 0.000 -0.565 1.098) 1.235 5.252 ( 0.000 -0.712 -3.889) 3.954 5.353 ( 0.000 4.594 3.968) 6.071 5.452 ( 0.000 5.624 -6.195) 8.368 5.581 ( 0.000 3.118 1.208) 3.344 5.602 ( 0.000 2.531 5.174) 5.760 5.607 ( 0.000 4.891 -0.905) 4.974 5.697 ( 0.000 2.172 -3.838) 4.409 5.756 ( 0.000 2.407 5.568) 6.066 5.800 ( 0.000 -1.551 2.774) 3.178 5.846 ( 0.000 -1.607 -1.897) 2.486 5.849 ( -0.000 4.653 -2.305) 5.193 5.988 ( 0.000 -1.378 7.821) 7.942 6.065 ( 0.000 -1.278 4.589) 4.763 6.130 ( -0.000 -1.724 -1.772) 2.473 6.159 ( 0.000 0.305 -9.235) 9.240 6.452 ( -0.000 6.559 2.529) 7.030 6.519 ( 0.000 5.446 3.571) 6.512 6.521 ( -0.000 2.025 -5.664) 6.015 6.535 ( 0.000 -0.840 2.045) 2.211 6.653 ( -0.000 -2.164 3.495) 4.111 6.705 ( 0.000 -3.619 1.239) 3.825 6.709 ( -0.000 0.610 1.442) 1.566 6.806 ( 0.000 2.992 -6.669) 7.310 6.871 ( 0.000 -1.016 7.048) 7.121 6.908 ( 0.000 1.544 8.954) 9.086 7.042 ( 0.000 0.657 -2.790) 2.866 7.076 ( 0.000 0.740 -11.444) 11.468 7.394 ( 0.000 3.008 6.833) 7.466 7.440 ( 0.000 3.541 0.121) 3.543 7.483 ( 0.000 5.372 -4.853) 7.239 7.534 ( 0.000 4.906 -6.870) 8.442 7.914 ( 0.000 -8.462 4.874) 9.765 7.959 ( 0.000 -6.162 -0.870) 6.223 8.109 ( 0.000 -0.727 3.152) 3.235 8.158 ( 0.000 -0.803 -1.475) 1.679 8.230 ( -0.000 0.816 -0.087) 0.820 8.316 ( 0.000 8.432 5.867) 10.272 8.325 ( 0.000 -2.279 -8.741) 9.033 8.447 ( 0.000 5.862 -4.730) 7.532 8.647 ( 0.000 -3.373 5.977) 6.863 8.735 ( -0.000 0.546 6.837) 6.859 8.784 ( 0.000 -2.783 -6.836) 7.381 8.833 ( 0.000 -1.357 -3.296) 3.565 9.196 ( 0.000 -2.994 4.801) 5.658 9.241 ( 0.000 -1.369 5.198) 5.375 9.261 ( -0.000 -2.610 -2.748) 3.790 9.308 ( -0.000 -1.076 -1.588) 1.918 9.531 ( 0.000 -3.337 5.311) 6.272 9.622 ( 0.000 -5.746 -4.528) 7.316 9.686 ( 0.000 0.420 8.330) 8.340 9.803 ( 0.000 -0.816 -4.508) 4.581 10.221 ( 0.000 -8.029 12.239) 14.637 10.413 ( 0.000 -0.181 11.663) 11.665 10.439 ( 0.000 -8.925 -10.860) 14.057 10.600 ( 0.000 -1.834 -8.218) 8.420 11.812 ( 0.000 -5.096 2.778) 5.804 11.882 ( 0.000 -6.080 -4.820) 7.758 12.016 ( 0.000 3.206 6.823) 7.539 12.131 ( 0.000 2.069 -5.334) 5.722 12.250 ( 0.000 -6.651 2.099) 6.975 12.291 ( 0.000 -8.125 -2.082) 8.388 12.390 ( 0.000 -2.406 2.257) 3.299 12.418 ( 0.000 -2.945 -0.630) 3.012 12.715 ( 0.000 -2.137 0.722) 2.256 12.732 ( 0.000 -3.200 -0.898) 3.324 12.785 ( 0.000 -5.077 3.021) 5.908 12.831 ( 0.000 -3.762 -1.250) 3.964 13.106 ( 0.000 7.292 1.614) 7.468 13.136 ( 0.000 7.623 -1.826) 7.839 13.157 ( 0.000 6.628 3.939) 7.710 13.224 ( 0.000 5.915 -3.054) 6.657 13.392 ( 0.000 -3.368 4.046) 5.265 13.490 ( 0.000 -3.306 -6.002) 6.852 13.534 ( 0.000 3.988 4.985) 6.384 13.613 ( 0.000 2.863 -3.369) 4.421 13.982 ( 0.000 -0.843 4.069) 4.156 14.063 ( 0.000 2.263 5.348) 5.808 14.069 ( 0.000 -1.656 -5.131) 5.391 14.159 ( 0.000 2.274 -4.718) 5.237 14.441 ( 0.000 -5.589 3.051) 6.368 14.511 ( 0.000 -3.284 -4.149) 5.292 14.597 ( 0.000 0.620 3.255) 3.313 14.621 ( 0.000 2.078 0.356) 2.108 14.783 ( 0.000 -4.908 1.048) 5.018 14.824 ( 0.000 -4.854 -3.074) 5.746 14.901 ( -0.000 -3.796 3.697) 5.299 14.982 ( 0.000 -5.440 -3.419) 6.426 15.239 ( 0.000 8.164 4.528) 9.336 15.258 ( 0.000 12.174 2.982) 12.534 15.351 ( 0.000 11.085 -7.229) 13.234 15.390 ( 0.000 14.272 -11.039) 18.043 15.681 ( 0.000 -3.031 10.644) 11.067 15.901 ( 0.000 -3.185 -12.946) 13.333 15.984 ( 0.000 7.488 5.765) 9.450 16.105 ( 0.000 4.328 -7.458) 8.623 19.023 ( 0.000 1.611 16.143) 16.223 19.119 ( 0.000 6.168 19.378) 20.336 19.323 ( 0.000 -1.393 -14.708) 14.774 19.484 ( 0.000 6.437 -17.958) 19.077 20.294 ( 0.000 -11.256 15.237) 18.943 20.456 ( 0.000 -3.409 7.928) 8.629 20.618 ( 0.000 -8.900 -18.223) 20.280 20.624 ( 0.000 -5.959 -9.738) 11.417 21.214 ( 0.000 -8.324 4.475) 9.451 21.280 ( 0.000 -7.889 -2.791) 8.368 21.486 ( 0.000 -4.367 4.885) 6.552 21.553 ( 0.000 -1.101 -0.976) 1.472 21.663 ( 0.000 -1.617 6.990) 7.174 21.755 ( 0.000 3.774 6.223) 7.278 21.800 ( 0.000 -1.469 -6.174) 6.347 21.861 ( 0.000 1.078 -3.015) 3.202 21.971 ( -0.000 7.670 3.951) 8.628 21.979 ( 0.000 2.583 1.376) 2.927 22.026 ( 0.000 0.078 -2.979) 2.980 22.089 ( 0.000 3.354 -6.174) 7.026 22.382 ( 0.000 -0.197 4.385) 4.389 22.425 ( -0.000 2.733 1.989) 3.381 22.457 ( 0.000 0.932 -3.421) 3.546 22.458 ( -0.000 1.600 -1.464) 2.169 23.900 ( 0.000 -3.896 7.023) 8.031 24.035 ( -0.000 -2.045 -6.098) 6.432 24.050 ( 0.000 -1.610 6.802) 6.990 24.190 ( 0.000 5.274 -5.153) 7.374 24.276 ( 0.000 -4.555 3.892) 5.991 24.404 ( 0.000 -1.856 -9.248) 9.433 24.422 ( 0.000 3.045 2.119) 3.709 24.497 ( 0.000 3.643 -4.030) 5.432 24.702 ( 0.000 -3.215 3.090) 4.459 24.753 ( -0.000 -4.222 -2.483) 4.898 24.794 ( 0.000 -1.672 3.304) 3.703 24.829 ( 0.000 -1.402 -0.438) 1.469 25.467 ( 0.000 1.248 2.548) 2.838 25.501 ( -0.000 1.248 -1.185) 1.721 25.526 ( 0.000 4.145 2.440) 4.810 25.550 ( 0.000 3.506 -0.268) 3.516 ======================= Grid point 80 (31/36) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 0.000 3.800 7.248) 8.184 1.311 ( 0.000 1.848 2.785) 3.343 1.417 ( 0.000 -0.513 -1.149) 1.258 1.421 ( 0.000 -1.160 -1.096) 1.596 1.586 ( 0.000 7.811 4.550) 9.040 1.692 ( 0.000 3.070 -0.011) 3.070 1.731 ( 0.000 3.873 -2.827) 4.795 1.756 ( 0.000 -1.981 -1.567) 2.526 1.888 ( 0.000 1.467 -0.076) 1.469 1.890 ( 0.000 1.439 -0.813) 1.652 1.955 ( 0.000 3.852 2.230) 4.451 1.969 ( 0.000 6.429 1.964) 6.722 2.037 ( 0.000 0.565 4.173) 4.211 2.076 ( 0.000 -1.462 0.705) 1.624 2.180 ( 0.000 1.180 2.088) 2.399 2.206 ( 0.000 0.908 -1.091) 1.420 2.290 ( 0.000 1.057 4.035) 4.171 2.327 ( 0.000 0.481 0.117) 0.495 2.377 ( 0.000 -2.921 -1.128) 3.131 2.384 ( 0.000 -0.404 -0.541) 0.675 2.475 ( 0.000 2.544 3.534) 4.354 2.475 ( 0.000 0.679 7.204) 7.236 2.615 ( 0.000 -2.079 -1.872) 2.797 2.618 ( 0.000 2.106 7.178) 7.481 2.708 ( 0.000 2.301 -6.311) 6.717 2.752 ( 0.000 7.018 18.071) 19.386 2.794 ( 0.000 3.335 -1.374) 3.607 3.025 ( 0.000 -0.776 -2.567) 2.682 3.112 ( 0.000 0.168 0.969) 0.984 3.198 ( 0.000 2.740 -9.923) 10.294 3.265 ( 0.000 2.375 16.273) 16.446 3.310 ( 0.000 7.875 -2.109) 8.152 3.375 ( 0.000 8.831 -0.993) 8.887 3.418 ( 0.000 -1.289 0.682) 1.458 3.470 ( 0.000 0.034 4.747) 4.747 3.596 ( 0.000 -9.458 -1.296) 9.547 3.645 ( 0.000 0.948 -1.187) 1.520 3.648 ( 0.000 2.988 1.931) 3.558 3.804 ( 0.000 0.508 -0.216) 0.552 3.824 ( 0.000 -6.483 1.703) 6.703 3.883 ( 0.000 -2.735 -1.213) 2.992 3.934 ( 0.000 2.287 -6.047) 6.465 4.091 ( 0.000 0.033 1.006) 1.007 4.123 ( 0.000 2.590 2.874) 3.869 4.209 ( 0.000 4.606 1.055) 4.725 4.241 ( 0.000 -0.236 -13.254) 13.256 4.404 ( 0.000 -2.388 -4.168) 4.804 4.436 ( 0.000 -0.852 -6.226) 6.285 4.617 ( 0.000 -2.818 -6.163) 6.776 4.623 ( 0.000 5.273 -5.468) 7.596 4.836 ( 0.000 -2.664 2.323) 3.534 4.888 ( 0.000 -3.414 -2.755) 4.387 4.981 ( 0.000 1.557 0.873) 1.786 5.007 ( 0.000 1.883 -1.391) 2.341 5.124 ( 0.000 3.421 -0.448) 3.450 5.136 ( 0.000 0.676 -2.141) 2.246 5.321 ( 0.000 -0.999 -0.590) 1.161 5.367 ( 0.000 -1.813 -3.546) 3.982 5.480 ( 0.000 3.421 2.434) 4.198 5.513 ( 0.000 6.696 -0.374) 6.706 5.634 ( 0.000 0.495 6.029) 6.049 5.644 ( 0.000 3.356 2.975) 4.485 5.697 ( 0.000 0.675 1.238) 1.410 5.723 ( 0.000 3.378 -1.211) 3.589 5.766 ( 0.000 1.345 1.029) 1.694 5.772 ( 0.000 1.591 -0.828) 1.794 5.885 ( 0.000 1.710 0.579) 1.805 5.894 ( 0.000 1.805 0.693) 1.933 5.998 ( 0.000 -0.958 -0.969) 1.363 6.012 ( 0.000 2.194 -2.536) 3.354 6.119 ( 0.000 -2.538 4.059) 4.787 6.145 ( 0.000 -3.075 3.901) 4.967 6.281 ( 0.000 -5.771 -2.493) 6.286 6.292 ( 0.000 -4.921 -3.961) 6.318 6.495 ( 0.000 2.105 2.637) 3.374 6.567 ( 0.000 1.499 -3.913) 4.190 6.640 ( 0.000 3.745 7.563) 8.439 6.672 ( 0.000 8.430 2.218) 8.717 6.711 ( 0.000 -4.121 3.267) 5.259 6.809 ( 0.000 -4.364 -3.475) 5.579 7.008 ( 0.000 -3.309 0.658) 3.374 7.122 ( 0.000 6.000 0.286) 6.007 7.162 ( 0.000 4.985 -0.053) 4.985 7.251 ( 0.000 0.087 -3.540) 3.541 7.303 ( 0.000 10.305 5.579) 11.718 7.527 ( 0.000 8.403 -10.463) 13.420 7.595 ( 0.000 5.047 -5.649) 7.576 7.602 ( 0.000 2.130 -3.120) 3.778 7.831 ( 0.000 0.184 11.129) 11.130 7.981 ( 0.000 1.638 -0.232) 1.655 8.123 ( 0.000 -2.142 5.831) 6.212 8.129 ( 0.000 -4.607 4.719) 6.595 8.234 ( 0.000 -6.394 -2.972) 7.051 8.312 ( 0.000 -5.688 -2.333) 6.148 8.407 ( 0.000 4.345 -1.025) 4.464 8.416 ( 0.000 3.131 -6.734) 7.426 8.607 ( 0.000 -2.357 2.855) 3.702 8.701 ( 0.000 -0.675 -5.023) 5.069 8.861 ( 0.000 -1.533 2.514) 2.944 8.865 ( 0.000 -0.485 1.154) 1.252 8.933 ( 0.000 -0.380 -1.077) 1.142 8.997 ( 0.000 -0.105 -7.026) 7.027 9.349 ( 0.000 -2.783 2.599) 3.807 9.373 ( 0.000 -4.011 0.479) 4.039 9.407 ( 0.000 -1.765 3.531) 3.948 9.447 ( 0.000 -3.548 -1.294) 3.776 9.757 ( 0.000 -1.587 5.739) 5.954 9.800 ( 0.000 -4.185 1.602) 4.481 9.895 ( 0.000 -10.694 4.262) 11.512 9.970 ( 0.000 -11.762 -3.884) 12.386 10.584 ( 0.000 -2.944 5.456) 6.200 10.666 ( 0.000 -6.490 -2.900) 7.109 11.703 ( 0.000 -3.380 0.643) 3.440 11.746 ( 0.000 -4.200 -3.943) 5.761 12.000 ( 0.000 -3.468 2.042) 4.025 12.020 ( 0.000 -8.221 -1.075) 8.291 12.078 ( 0.000 -7.167 1.520) 7.326 12.132 ( 0.000 -3.939 -3.660) 5.377 12.343 ( 0.000 -5.625 2.991) 6.371 12.370 ( 0.000 -6.542 0.155) 6.544 12.682 ( 0.000 2.135 4.596) 5.068 12.771 ( 0.000 1.882 -3.862) 4.296 12.957 ( 0.000 0.007 0.668) 0.668 12.959 ( 0.000 1.077 1.539) 1.879 13.020 ( 0.000 1.121 6.086) 6.188 13.140 ( 0.000 2.845 -4.405) 5.244 13.305 ( 0.000 4.236 -0.757) 4.303 13.314 ( 0.000 3.721 -1.909) 4.182 13.366 ( 0.000 3.746 0.228) 3.753 13.396 ( 0.000 1.488 -3.431) 3.740 13.628 ( 0.000 2.761 2.688) 3.853 13.655 ( 0.000 2.092 -0.339) 2.119 14.011 ( 0.000 2.623 2.633) 3.717 14.059 ( 0.000 0.515 -1.697) 1.773 14.145 ( 0.000 0.826 1.858) 2.034 14.193 ( 0.000 -0.873 -2.557) 2.702 14.342 ( 0.000 1.098 0.955) 1.455 14.357 ( 0.000 0.294 -0.650) 0.714 14.492 ( 0.000 -2.938 0.736) 3.028 14.513 ( 0.000 -3.978 -1.784) 4.360 14.730 ( 0.000 -0.651 9.012) 9.035 14.851 ( 0.000 -1.470 -3.966) 4.230 14.901 ( 0.000 2.079 2.853) 3.530 14.984 ( 0.000 -2.059 -5.399) 5.778 15.297 ( 0.000 4.560 3.387) 5.680 15.344 ( 0.000 4.300 -0.235) 4.306 15.642 ( 0.000 12.829 0.522) 12.839 15.668 ( 0.000 4.567 3.030) 5.481 15.730 ( 0.000 9.406 -6.112) 11.217 15.831 ( 0.000 -0.586 -9.109) 9.128 16.113 ( 0.000 3.567 3.398) 4.927 16.179 ( 0.000 0.373 -3.645) 3.664 19.081 ( 0.000 3.500 13.137) 13.595 19.279 ( 0.000 8.528 19.233) 21.038 19.302 ( 0.000 -2.638 -9.178) 9.550 19.621 ( 0.000 5.820 -13.083) 14.320 20.042 ( 0.000 -10.310 10.642) 14.817 20.352 ( 0.000 -12.341 -17.784) 21.647 20.358 ( 0.000 -5.357 3.290) 6.287 20.462 ( 0.000 -7.798 -7.728) 10.979 21.033 ( 0.000 -3.883 2.717) 4.739 21.101 ( 0.000 -5.203 -4.663) 6.987 21.541 ( 0.000 -1.045 1.757) 2.044 21.555 ( 0.000 -0.587 1.995) 2.079 21.663 ( 0.000 -1.502 3.899) 4.178 21.693 ( 0.000 -2.882 1.846) 3.423 21.816 ( 0.000 1.548 3.572) 3.893 21.865 ( 0.000 -0.111 0.602) 0.613 21.996 ( 0.000 4.383 -0.916) 4.478 22.030 ( 0.000 1.536 -2.695) 3.102 22.179 ( 0.000 1.034 -0.307) 1.079 22.203 ( 0.000 2.932 -2.486) 3.844 22.356 ( 0.000 -1.353 6.096) 6.244 22.432 ( 0.000 1.424 -1.252) 1.896 22.504 ( 0.000 2.834 -0.267) 2.847 22.507 ( 0.000 1.446 -1.453) 2.050 23.839 ( 0.000 -3.849 4.754) 6.117 23.959 ( 0.000 -4.790 -4.997) 6.922 24.002 ( 0.000 -2.478 0.992) 2.669 24.080 ( 0.000 -1.288 -1.078) 1.679 24.277 ( 0.000 1.366 -3.152) 3.435 24.365 ( 0.000 0.246 -8.738) 8.742 24.537 ( 0.000 0.896 3.979) 4.079 24.561 ( 0.000 -0.145 1.260) 1.268 24.639 ( 0.000 1.463 0.548) 1.562 24.653 ( 0.000 0.830 -0.968) 1.275 24.809 ( 0.000 -3.014 1.105) 3.211 24.819 ( 0.000 -3.564 -0.106) 3.566 25.502 ( 0.000 1.773 1.596) 2.385 25.516 ( 0.000 1.545 -0.106) 1.548 25.650 ( 0.000 3.926 1.359) 4.155 25.654 ( 0.000 3.676 0.946) 3.795 ======================= Grid point 81 (32/36) ======================= q-point: ( 0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.288 0.742 2.862) 2.971 1.337 ( 0.259 0.359 -2.451) 2.490 1.396 ( 1.637 -0.743 5.349) 5.643 1.477 ( 2.618 -0.938 -2.139) 3.508 1.611 ( 2.789 8.308 6.598) 10.970 1.704 ( 0.809 3.302 1.095) 3.572 1.734 ( 0.127 0.038 -0.264) 0.296 1.794 ( 2.243 -0.033 -2.645) 3.468 1.874 ( -0.888 3.653 3.093) 4.869 1.894 ( -3.313 2.737 3.309) 5.423 1.909 ( 0.595 2.370 -1.883) 3.085 1.958 ( -0.278 3.947 -0.974) 4.075 2.105 ( 3.563 1.314 0.440) 3.823 2.118 ( 2.316 -0.676 -0.868) 2.564 2.176 ( 0.272 2.003 2.832) 3.480 2.216 ( -0.492 0.797 -1.198) 1.521 2.283 ( 0.154 0.267 5.659) 5.667 2.339 ( 1.091 -1.495 -0.466) 1.909 2.387 ( 3.779 1.224 1.909) 4.407 2.418 ( 1.893 -0.762 2.675) 3.364 2.474 ( 1.698 2.991 1.357) 3.698 2.515 ( 0.523 2.735 3.410) 4.402 2.556 ( -4.320 -0.544 0.236) 4.361 2.642 ( 1.536 6.110 0.744) 6.344 2.740 ( 4.577 0.793 4.885) 6.741 2.790 ( 7.696 1.292 3.582) 8.587 2.901 ( 9.186 8.665 6.163) 14.051 3.079 ( 3.175 -2.092 2.962) 4.820 3.147 ( 3.637 1.742 4.369) 5.946 3.201 ( -0.497 1.544 -2.762) 3.203 3.213 ( -1.358 0.359 1.991) 2.437 3.329 ( 1.000 5.390 6.645) 8.614 3.388 ( -1.322 7.129 -5.878) 9.334 3.413 ( 0.224 -0.045 -0.182) 0.292 3.500 ( -0.077 1.105 0.233) 1.132 3.560 ( 0.095 -6.190 -1.809) 6.449 3.631 ( -1.087 3.009 3.296) 4.593 3.695 ( -0.810 0.318 -4.106) 4.197 3.738 ( -5.941 -4.477 4.276) 8.581 3.799 ( -4.082 1.196 -0.772) 4.323 3.848 ( 1.848 1.944 -1.179) 2.930 3.924 ( -0.450 -0.870 -7.161) 7.227 4.011 ( -5.980 0.021 -0.146) 5.982 4.128 ( -6.029 -3.013 -7.157) 9.831 4.174 ( -1.726 5.984 4.193) 7.508 4.237 ( -3.379 -0.386 1.909) 3.900 4.349 ( -3.193 -2.397 -6.607) 7.720 4.408 ( 1.089 1.580 -7.320) 7.568 4.618 ( 0.136 -1.749 -2.734) 3.248 4.656 ( 1.611 -4.391 -6.552) 8.050 4.737 ( -6.898 -4.004 -1.153) 8.059 4.767 ( -7.575 -1.699 -1.660) 7.939 4.982 ( -2.935 0.530 1.644) 3.406 5.017 ( 2.022 2.212 -0.038) 2.997 5.138 ( -1.380 1.157 -2.118) 2.780 5.162 ( 2.335 1.759 -1.993) 3.538 5.312 ( -1.785 3.302 0.000) 3.754 5.358 ( -0.659 6.300 -3.542) 7.257 5.427 ( -1.414 -0.190 2.000) 2.457 5.475 ( -1.122 -0.068 -2.235) 2.502 5.629 ( 0.655 3.647 5.387) 6.539 5.671 ( -1.105 2.403 2.981) 3.986 5.709 ( -1.060 -0.699 1.057) 1.652 5.732 ( 0.321 2.782 -2.005) 3.444 5.754 ( 0.794 0.224 0.486) 0.958 5.788 ( 1.769 1.552 -2.610) 3.515 5.887 ( 0.807 2.316 3.124) 3.972 5.924 ( 2.459 2.472 0.322) 3.501 5.997 ( 0.613 4.163 2.411) 4.850 6.042 ( 2.222 -1.215 -3.281) 4.145 6.076 ( -2.764 -1.618 3.183) 4.515 6.169 ( -0.766 -1.685 -4.055) 4.457 6.349 ( 7.936 -3.349 3.130) 9.165 6.397 ( 6.947 -2.631 -1.534) 7.585 6.503 ( 0.319 -3.452 2.924) 4.535 6.572 ( 0.829 -3.272 -4.058) 5.279 6.658 ( 1.640 5.956 4.292) 7.523 6.681 ( 1.630 5.627 1.441) 6.033 6.742 ( 4.292 -0.839 6.183) 7.573 6.823 ( -0.204 -0.012 -0.615) 0.648 6.960 ( -4.388 0.304 2.112) 4.879 7.057 ( -6.511 3.485 5.655) 9.302 7.103 ( -2.922 6.090 -8.541) 10.889 7.183 ( -4.335 4.571 -7.609) 9.878 7.390 ( 5.272 4.483 6.300) 9.359 7.555 ( 0.496 3.296 -7.693) 8.384 7.582 ( 0.279 3.894 0.491) 3.935 7.632 ( 0.210 4.768 -2.141) 5.231 7.801 ( -0.987 -2.467 4.082) 4.871 7.849 ( -8.856 -5.963 1.265) 10.752 8.081 ( 2.123 1.846 3.310) 4.344 8.160 ( -2.140 -2.917 -2.313) 4.294 8.243 ( -1.184 -3.216 0.588) 3.477 8.332 ( -2.374 -0.659 -5.633) 6.148 8.411 ( 4.663 -0.021 4.804) 6.695 8.489 ( 2.933 2.895 -2.220) 4.681 8.615 ( 2.377 -0.157 -0.047) 2.383 8.688 ( 0.678 -0.225 -5.008) 5.058 8.795 ( -2.031 0.614 2.110) 2.992 8.859 ( -4.133 0.270 -4.854) 6.381 9.030 ( 7.914 -2.470 2.378) 8.625 9.076 ( 6.514 -1.701 -2.227) 7.091 9.294 ( -4.559 -3.188 1.962) 5.899 9.319 ( -4.416 -3.298 0.259) 5.518 9.445 ( 2.993 -2.512 2.588) 4.687 9.480 ( 2.225 -3.866 -1.104) 4.596 9.695 ( -4.278 -3.740 5.471) 7.888 9.751 ( -3.829 -5.860 -0.686) 7.034 9.971 ( 6.731 -7.957 8.221) 13.274 10.095 ( 10.002 -9.023 -4.386) 14.166 10.512 ( -7.358 -2.853 5.447) 9.589 10.608 ( -5.310 -5.062 -4.016) 8.363 11.712 ( 0.677 -3.443 0.886) 3.619 11.763 ( 1.277 -4.142 -4.563) 6.293 12.003 ( -0.237 -7.138 1.370) 7.272 12.024 ( -0.097 -9.901 -1.380) 9.997 12.085 ( 1.527 -3.555 2.641) 4.684 12.141 ( 2.231 -0.874 -2.607) 3.541 12.319 ( -2.476 -5.595 3.069) 6.845 12.348 ( -2.367 -6.321 0.117) 6.751 12.690 ( 1.186 1.817 3.585) 4.190 12.754 ( -1.430 1.824 -2.275) 3.248 12.839 ( -6.625 0.972 2.371) 7.104 12.883 ( -5.630 1.726 -1.619) 6.107 13.137 ( 6.505 0.773 4.774) 8.106 13.219 ( 5.030 3.127 -2.162) 6.305 13.304 ( -0.317 4.505 -0.109) 4.517 13.315 ( 0.390 3.246 -1.518) 3.605 13.361 ( -0.502 3.249 0.050) 3.288 13.406 ( 0.884 -0.769 -4.896) 5.034 13.624 ( -0.427 3.082 3.326) 4.554 13.665 ( 0.671 2.264 -1.124) 2.615 13.990 ( -1.275 1.573 2.662) 3.345 14.046 ( -0.623 0.299 -3.011) 3.089 14.125 ( -1.400 1.247 4.368) 4.753 14.204 ( -0.195 -0.153 -3.587) 3.595 14.330 ( 0.911 -1.174 2.773) 3.146 14.392 ( 3.330 -1.289 -3.671) 5.121 14.573 ( 5.247 -2.252 1.732) 5.966 14.598 ( 6.896 -1.750 -1.037) 7.190 14.697 ( -1.336 -1.064 6.587) 6.805 14.779 ( -5.176 0.271 -1.902) 5.521 14.895 ( -2.082 -0.705 1.213) 2.511 14.947 ( -4.098 -2.912 -3.626) 6.198 15.345 ( 4.423 5.002 4.672) 8.149 15.382 ( 3.535 4.916 2.626) 6.600 15.604 ( -2.784 8.461 -2.271) 9.192 15.658 ( -3.066 8.572 -5.050) 10.411 15.719 ( 0.400 6.273 1.335) 6.426 15.857 ( 1.946 0.905 -10.059) 10.286 16.111 ( -0.167 3.882 3.208) 5.039 16.173 ( -0.502 0.866 -3.525) 3.665 19.082 ( 0.063 3.573 12.921) 13.406 19.277 ( -0.146 8.393 19.336) 21.080 19.299 ( -0.275 -2.083 -8.896) 9.141 19.621 ( -0.027 5.639 -13.000) 14.171 20.042 ( -0.018 -10.565 10.904) 15.183 20.353 ( 0.067 -8.112 -4.576) 9.314 20.360 ( 0.214 -9.939 -10.361) 14.359 20.464 ( 0.203 -7.987 -7.762) 11.139 21.069 ( 3.438 -3.343 3.138) 5.731 21.134 ( 3.035 -3.901 -3.977) 6.344 21.473 ( -5.643 -1.408 4.792) 7.536 21.548 ( -2.424 -1.362 -2.540) 3.766 21.620 ( -1.023 -2.257 5.288) 5.840 21.728 ( 1.297 -2.907 -2.355) 3.960 21.794 ( -1.549 0.194 4.529) 4.791 21.867 ( 0.038 0.165 0.681) 0.702 22.023 ( 1.926 2.939 -0.578) 3.561 22.026 ( 0.201 2.492 -0.541) 2.558 22.172 ( -0.646 2.428 -1.277) 2.819 22.182 ( -1.849 4.575 -2.068) 5.351 22.359 ( 0.248 -1.336 6.488) 6.629 22.445 ( 1.216 0.796 -1.744) 2.270 22.497 ( -0.919 1.319 -0.856) 1.821 22.500 ( -0.458 2.210 -0.386) 2.289 23.848 ( 0.669 -2.236 3.923) 4.564 23.965 ( 0.621 -5.037 -5.827) 7.728 23.998 ( 0.063 -1.484 5.173) 5.382 24.137 ( 4.763 -1.950 -1.307) 5.310 24.271 ( -0.884 0.994 -5.033) 5.206 24.361 ( -0.303 -0.730 -9.100) 9.134 24.516 ( -1.593 2.122 4.747) 5.438 24.570 ( 0.189 0.646 -0.361) 0.764 24.642 ( 0.808 0.834 1.125) 1.617 24.663 ( 1.102 -0.409 -1.022) 1.558 24.783 ( -2.477 -2.981 1.690) 4.229 24.806 ( -1.256 -2.623 -0.490) 2.950 25.502 ( 0.064 1.719 2.130) 2.738 25.527 ( 0.951 1.830 -0.608) 2.150 25.635 ( -1.313 3.979 1.589) 4.481 25.642 ( -0.963 3.694 0.755) 3.891 ======================= Grid point 82 (33/36) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.000 -0.555 1.385) 1.492 1.333 ( 0.000 0.177 -4.099) 4.103 1.418 ( 0.000 -1.044 5.984) 6.074 1.503 ( 0.000 -1.457 -3.241) 3.553 1.659 ( 0.000 4.151 4.048) 5.798 1.719 ( -0.000 2.822 -2.012) 3.466 1.724 ( 0.000 1.872 8.640) 8.840 1.812 ( -0.000 6.056 7.576) 9.699 1.831 ( 0.000 0.591 -1.297) 1.425 1.875 ( 0.000 1.711 2.653) 3.157 1.942 ( 0.000 4.138 -5.130) 6.591 1.942 ( -0.000 2.523 -4.008) 4.736 2.125 ( 0.000 -0.701 2.039) 2.157 2.160 ( -0.000 -1.202 -2.221) 2.526 2.162 ( 0.000 2.984 2.034) 3.611 2.199 ( 0.000 -0.158 -0.915) 0.929 2.296 ( 0.000 -1.249 6.309) 6.432 2.379 ( 0.000 1.632 -2.819) 3.257 2.428 ( 0.000 1.256 10.222) 10.298 2.445 ( -0.000 -0.054 0.613) 0.615 2.456 ( 0.000 2.904 2.777) 4.018 2.500 ( 0.000 2.366 -3.421) 4.159 2.533 ( 0.000 4.406 -0.646) 4.453 2.641 ( 0.000 7.853 -3.204) 8.481 2.862 ( 0.000 -1.133 15.930) 15.971 2.971 ( 0.000 -1.307 10.916) 10.994 3.016 ( -0.000 -1.192 -0.931) 1.512 3.128 ( -0.000 3.589 4.226) 5.544 3.143 ( 0.000 5.575 -0.916) 5.650 3.174 ( 0.000 0.317 3.497) 3.512 3.247 ( -0.000 5.742 0.798) 5.797 3.257 ( 0.000 4.537 -2.431) 5.147 3.421 ( -0.000 1.642 -0.050) 1.643 3.437 ( 0.000 8.250 5.857) 10.117 3.511 ( 0.000 -3.317 0.199) 3.323 3.518 ( -0.000 4.841 -4.560) 6.650 3.588 ( 0.000 1.929 6.106) 6.403 3.631 ( 0.000 -4.214 -1.199) 4.382 3.689 ( 0.000 -4.583 -5.677) 7.296 3.781 ( -0.000 1.908 -11.931) 12.082 3.817 ( 0.000 0.358 1.336) 1.383 3.936 ( 0.000 -1.408 3.170) 3.469 3.949 ( -0.000 0.793 -9.644) 9.677 4.050 ( 0.000 -3.257 -9.445) 9.991 4.134 ( 0.000 5.147 13.924) 14.845 4.186 ( 0.000 -2.903 3.405) 4.475 4.317 ( 0.000 -5.221 -8.846) 10.272 4.459 ( 0.000 1.104 -13.048) 13.094 4.615 ( -0.000 -7.482 1.275) 7.590 4.630 ( 0.000 -0.468 3.730) 3.759 4.679 ( 0.000 -4.648 -3.623) 5.893 4.721 ( 0.000 -1.035 -5.504) 5.600 4.928 ( 0.000 0.974 2.742) 2.910 5.068 ( 0.000 0.653 -7.622) 7.650 5.082 ( -0.000 2.427 4.899) 5.467 5.181 ( 0.000 0.228 -4.458) 4.464 5.286 ( 0.000 7.417 2.034) 7.691 5.365 ( 0.000 8.440 -5.416) 10.028 5.427 ( 0.000 -1.660 1.627) 2.324 5.475 ( 0.000 -2.728 -3.528) 4.460 5.636 ( 0.000 1.343 4.383) 4.584 5.652 ( 0.000 3.383 4.394) 5.546 5.690 ( 0.000 1.770 -0.174) 1.778 5.729 ( 0.000 2.659 -2.703) 3.792 5.763 ( 0.000 -2.012 0.710) 2.133 5.815 ( 0.000 0.907 -4.293) 4.387 5.891 ( 0.000 6.299 5.752) 8.530 5.974 ( 0.000 3.335 -0.014) 3.335 6.016 ( 0.000 6.479 4.611) 7.952 6.018 ( -0.000 -1.940 2.504) 3.167 6.065 ( 0.000 -3.564 -2.188) 4.182 6.158 ( 0.000 0.711 -7.738) 7.770 6.455 ( 0.000 -5.058 2.499) 5.642 6.456 ( -0.000 -4.385 6.722) 8.026 6.513 ( 0.000 -6.272 -3.126) 7.007 6.566 ( 0.000 -2.547 -5.062) 5.667 6.696 ( -0.000 6.106 1.742) 6.350 6.745 ( -0.000 6.410 -3.173) 7.152 6.767 ( 0.000 4.743 10.377) 11.409 6.837 ( 0.000 -0.986 12.281) 12.320 6.901 ( 0.000 3.018 4.799) 5.669 6.952 ( 0.000 5.631 -2.275) 6.074 7.090 ( 0.000 0.479 -13.377) 13.386 7.119 ( 0.000 6.181 -8.023) 10.128 7.461 ( 0.000 2.090 8.411) 8.667 7.539 ( -0.000 4.898 2.993) 5.740 7.589 ( 0.000 -0.634 -4.355) 4.401 7.610 ( 0.000 4.540 -3.588) 5.786 7.739 ( 0.000 -6.669 5.604) 8.711 7.840 ( 0.000 -5.272 -5.118) 7.347 8.089 ( 0.000 -0.216 6.080) 6.084 8.185 ( 0.000 3.728 -3.145) 4.877 8.220 ( 0.000 -5.496 -3.386) 6.455 8.251 ( -0.000 -0.291 -5.785) 5.792 8.458 ( 0.000 2.473 7.531) 7.926 8.525 ( 0.000 3.982 2.272) 4.584 8.658 ( 0.000 2.831 -3.607) 4.586 8.727 ( -0.000 -1.932 -10.713) 10.885 8.767 ( 0.000 1.178 2.039) 2.355 8.794 ( 0.000 -0.818 -1.054) 1.334 9.129 ( 0.000 -3.070 4.049) 5.081 9.192 ( 0.000 -3.636 -2.837) 4.612 9.200 ( -0.000 -2.226 4.093) 4.659 9.255 ( 0.000 -3.494 -1.149) 3.678 9.479 ( 0.000 -1.918 2.166) 2.893 9.513 ( 0.000 -4.329 -1.871) 4.716 9.641 ( 0.000 -3.967 6.287) 7.434 9.709 ( 0.000 -6.413 -1.071) 6.502 10.054 ( 0.000 -7.750 10.401) 12.971 10.252 ( 0.000 -7.625 -10.396) 12.893 10.377 ( 0.000 -2.703 11.100) 11.424 10.538 ( 0.000 -3.203 -6.053) 6.848 11.719 ( 0.000 -3.463 1.068) 3.624 11.776 ( 0.000 -3.952 -5.142) 6.486 11.996 ( 0.000 -9.183 0.715) 9.211 12.018 ( 0.000 -10.610 -1.700) 10.745 12.118 ( 0.000 -0.826 4.863) 4.932 12.195 ( 0.000 0.340 -2.536) 2.559 12.279 ( 0.000 -5.709 2.687) 6.310 12.303 ( -0.000 -6.121 0.222) 6.125 12.726 ( 0.000 1.145 0.659) 1.321 12.736 ( 0.000 1.857 -0.456) 1.912 12.749 ( 0.000 0.812 4.137) 4.216 12.823 ( 0.000 2.159 -2.833) 3.562 13.203 ( 0.000 1.139 3.768) 3.937 13.277 ( 0.000 4.663 -3.041) 5.566 13.284 ( 0.000 5.351 3.199) 6.234 13.339 ( 0.000 5.085 -2.635) 5.727 13.344 ( 0.000 -0.183 1.322) 1.334 13.418 ( 0.000 -3.128 -6.318) 7.050 13.618 ( 0.000 3.529 3.945) 5.293 13.671 ( 0.000 2.430 -1.859) 3.059 13.981 ( 0.000 0.616 2.865) 2.930 14.044 ( 0.000 -0.603 -3.983) 4.029 14.107 ( 0.000 1.933 5.407) 5.742 14.194 ( 0.000 0.756 -3.712) 3.788 14.354 ( 0.000 -2.442 3.616) 4.363 14.441 ( 0.000 -3.282 -5.792) 6.657 14.594 ( 0.000 -0.213 6.575) 6.578 14.661 ( 0.000 1.194 -1.041) 1.584 14.724 ( 0.000 -1.212 1.689) 2.079 14.762 ( 0.000 -1.757 -2.450) 3.015 14.844 ( 0.000 -1.723 1.142) 2.067 14.876 ( 0.000 -4.254 -1.395) 4.477 15.410 ( 0.000 7.215 8.248) 10.959 15.426 ( 0.000 3.229 8.600) 9.186 15.575 ( 0.000 9.376 -8.966) 12.973 15.601 ( -0.000 5.290 -9.607) 10.968 15.728 ( 0.000 6.582 3.860) 7.630 15.879 ( 0.000 1.008 -11.058) 11.104 16.109 ( 0.000 4.193 3.086) 5.206 16.167 ( 0.000 1.454 -3.368) 3.669 19.082 ( 0.000 3.644 12.701) 13.213 19.276 ( 0.000 8.283 19.624) 21.300 19.295 ( 0.000 -1.563 -8.803) 8.941 19.621 ( 0.000 5.458 -12.922) 14.027 20.042 ( 0.000 -10.815 11.163) 15.543 20.353 ( 0.000 -5.227 3.701) 6.405 20.363 ( 0.000 -13.183 -19.052) 23.168 20.467 ( 0.000 -8.161 -7.810) 11.295 21.119 ( 0.000 -2.083 3.370) 3.962 21.174 ( 0.000 -2.393 -2.725) 3.626 21.397 ( 0.000 -3.189 6.083) 6.868 21.511 ( 0.000 -1.949 -4.938) 5.308 21.616 ( 0.000 -2.216 4.707) 5.202 21.737 ( -0.000 -3.799 -7.019) 7.981 21.779 ( 0.000 -0.431 7.867) 7.879 21.867 ( 0.000 0.289 0.565) 0.634 22.021 ( 0.000 1.418 1.959) 2.419 22.059 ( -0.000 2.320 -1.513) 2.770 22.151 ( 0.000 7.079 -1.444) 7.225 22.169 ( 0.000 3.748 -2.069) 4.282 22.362 ( 0.000 -1.275 6.920) 7.037 22.465 ( 0.000 -0.536 -3.888) 3.925 22.480 ( 0.000 2.143 1.151) 2.432 22.494 ( 0.000 1.510 -0.312) 1.542 23.855 ( 0.000 -0.997 3.302) 3.449 23.974 ( 0.000 -3.599 -8.587) 9.310 24.001 ( 0.000 -2.624 10.453) 10.778 24.207 ( 0.000 -1.500 6.581) 6.750 24.244 ( 0.000 0.493 -14.334) 14.343 24.358 ( 0.000 -2.104 -9.676) 9.902 24.497 ( 0.000 3.271 5.404) 6.317 24.568 ( 0.000 2.334 -1.364) 2.703 24.659 ( 0.000 -0.911 0.888) 1.272 24.683 ( 0.000 -2.066 -1.659) 2.649 24.745 ( 0.000 -1.953 3.467) 3.979 24.789 ( 0.000 -1.753 -1.027) 2.032 25.503 ( 0.000 1.784 2.675) 3.215 25.539 ( 0.000 1.986 -1.360) 2.406 25.618 ( 0.000 4.016 2.108) 4.535 25.631 ( 0.000 3.689 0.501) 3.723 ======================= Grid point 85 (34/36) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 0.974 2.005) 2.229 1.324 ( 0.000 -0.089 0.688) 0.694 1.402 ( 0.000 -0.102 -1.920) 1.923 1.411 ( 0.000 -0.398 -2.265) 2.300 1.672 ( 0.000 -0.090 -0.684) 0.690 1.680 ( 0.000 -1.463 -1.503) 2.097 1.767 ( 0.000 3.049 3.167) 4.396 1.800 ( 0.000 0.946 0.197) 0.966 1.889 ( 0.000 -0.311 1.965) 1.989 1.902 ( 0.000 -0.134 0.597) 0.612 1.989 ( 0.000 -0.961 -0.128) 0.969 2.002 ( 0.000 -2.461 -0.847) 2.603 2.132 ( 0.000 7.120 2.084) 7.418 2.133 ( 0.000 4.289 3.011) 5.240 2.175 ( 0.000 -0.038 2.420) 2.421 2.188 ( 0.000 2.245 0.835) 2.395 2.285 ( 0.000 -3.085 -0.219) 3.093 2.289 ( 0.000 -2.431 -0.579) 2.499 2.360 ( 0.000 -0.132 1.139) 1.147 2.365 ( 0.000 -1.137 0.835) 1.410 2.506 ( 0.000 1.264 7.358) 7.466 2.515 ( 0.000 1.762 6.222) 6.467 2.573 ( 0.000 -0.487 9.528) 9.541 2.597 ( 0.000 0.564 3.250) 3.299 2.730 ( 0.000 -1.926 -1.902) 2.707 2.731 ( 0.000 -5.082 -2.386) 5.614 2.992 ( 0.000 7.773 2.730) 8.239 3.045 ( 0.000 -2.047 -0.646) 2.147 3.055 ( 0.000 1.744 5.810) 6.066 3.225 ( 0.000 -5.235 -3.092) 6.080 3.345 ( 0.000 2.793 5.657) 6.309 3.363 ( 0.000 -0.296 4.381) 4.391 3.424 ( 0.000 2.231 -1.297) 2.580 3.442 ( 0.000 -0.934 -2.649) 2.809 3.473 ( 0.000 1.398 0.053) 1.399 3.520 ( 0.000 3.312 -0.362) 3.331 3.701 ( 0.000 -3.215 5.128) 6.052 3.711 ( 0.000 3.359 5.686) 6.604 3.749 ( 0.000 2.064 3.258) 3.856 3.768 ( 0.000 -5.695 -1.804) 5.974 3.880 ( 0.000 -0.097 -7.660) 7.661 3.925 ( 0.000 1.752 -12.929) 13.047 4.148 ( 0.000 2.580 2.750) 3.771 4.168 ( 0.000 5.476 -0.160) 5.478 4.231 ( 0.000 1.025 -1.151) 1.541 4.288 ( 0.000 -3.235 -3.082) 4.468 4.387 ( 0.000 0.735 -6.037) 6.081 4.430 ( 0.000 -1.979 -7.756) 8.004 4.632 ( 0.000 4.301 -1.019) 4.420 4.679 ( 0.000 0.558 -4.839) 4.871 4.876 ( 0.000 3.505 -1.613) 3.858 4.880 ( 0.000 1.951 -2.119) 2.880 5.016 ( 0.000 0.497 -0.331) 0.597 5.017 ( 0.000 -0.421 -0.097) 0.432 5.169 ( 0.000 2.553 -0.424) 2.588 5.200 ( 0.000 1.890 -3.795) 4.239 5.282 ( 0.000 -1.530 0.122) 1.535 5.300 ( 0.000 -2.741 -1.776) 3.266 5.512 ( 0.000 0.587 1.214) 1.348 5.539 ( 0.000 -1.422 -1.050) 1.768 5.662 ( 0.000 2.047 7.592) 7.863 5.708 ( 0.000 0.612 1.835) 1.935 5.714 ( 0.000 -1.930 4.531) 4.924 5.745 ( 0.000 -1.378 0.084) 1.380 5.827 ( 0.000 5.010 3.351) 6.028 5.831 ( 0.000 2.637 1.974) 3.294 5.927 ( 0.000 2.838 -1.196) 3.080 5.947 ( 0.000 1.885 -5.255) 5.583 6.001 ( 0.000 1.115 2.678) 2.900 6.053 ( 0.000 -3.970 1.090) 4.117 6.093 ( 0.000 2.580 -4.070) 4.819 6.094 ( 0.000 1.018 1.924) 2.177 6.190 ( 0.000 -0.246 -0.711) 0.753 6.255 ( 0.000 2.886 -5.408) 6.130 6.383 ( 0.000 -10.776 5.844) 12.259 6.484 ( 0.000 -11.090 -4.652) 12.026 6.597 ( 0.000 2.091 4.992) 5.412 6.657 ( 0.000 -2.847 -0.057) 2.847 6.838 ( 0.000 5.958 0.500) 5.978 6.868 ( 0.000 2.958 -3.594) 4.654 7.035 ( 0.000 7.094 9.564) 11.908 7.159 ( 0.000 -2.555 4.683) 5.335 7.238 ( 0.000 1.412 -6.445) 6.598 7.253 ( 0.000 -0.585 -1.856) 1.946 7.557 ( 0.000 11.288 1.298) 11.362 7.654 ( 0.000 3.153 -5.029) 5.935 7.686 ( 0.000 4.642 -0.806) 4.712 7.696 ( 0.000 2.358 -2.499) 3.436 7.825 ( 0.000 -0.001 8.481) 8.481 7.967 ( 0.000 -5.718 -5.618) 8.016 8.000 ( 0.000 -7.343 4.241) 8.480 8.023 ( 0.000 -3.728 1.575) 4.047 8.142 ( 0.000 2.817 -0.730) 2.910 8.209 ( 0.000 -3.755 -5.077) 6.314 8.504 ( 0.000 4.050 0.043) 4.050 8.534 ( 0.000 4.124 -0.504) 4.155 8.564 ( 0.000 -1.399 0.867) 1.646 8.624 ( 0.000 -4.890 -3.290) 5.893 8.845 ( 0.000 0.918 -1.424) 1.694 8.883 ( 0.000 -0.537 -4.172) 4.206 8.956 ( 0.000 2.295 -0.282) 2.313 8.983 ( 0.000 -0.390 -3.881) 3.900 9.283 ( 0.000 -2.679 1.514) 3.077 9.288 ( 0.000 -3.371 1.003) 3.517 9.381 ( 0.000 -0.654 2.055) 2.157 9.390 ( 0.000 -1.612 0.922) 1.857 9.683 ( 0.000 -2.947 3.775) 4.789 9.699 ( 0.000 -4.056 2.606) 4.821 9.787 ( 0.000 -1.004 2.034) 2.269 9.807 ( 0.000 -3.503 -0.493) 3.538 10.534 ( 0.000 -1.103 2.513) 2.744 10.556 ( 0.000 -3.317 0.283) 3.329 11.656 ( 0.000 -0.782 -1.313) 1.529 11.674 ( 0.000 -2.346 -3.173) 3.946 11.838 ( 0.000 -5.229 -1.928) 5.573 11.839 ( 0.000 -5.281 -2.129) 5.694 12.082 ( 0.000 2.191 2.829) 3.578 12.115 ( 0.000 -0.503 -0.669) 0.837 12.257 ( 0.000 -2.289 2.072) 3.087 12.262 ( 0.000 -3.038 1.412) 3.350 12.731 ( 0.000 2.107 4.785) 5.228 12.769 ( 0.000 -1.407 1.841) 2.317 12.965 ( 0.000 0.850 1.743) 1.939 12.981 ( 0.000 -0.027 2.363) 2.363 13.068 ( 0.000 3.630 -1.904) 4.099 13.144 ( 0.000 -2.526 -6.552) 7.022 13.363 ( 0.000 1.484 -0.909) 1.740 13.366 ( 0.000 1.488 -0.897) 1.737 13.427 ( 0.000 1.715 -0.722) 1.861 13.434 ( 0.000 1.106 -1.358) 1.751 13.679 ( 0.000 1.674 1.741) 2.416 13.689 ( 0.000 0.742 0.585) 0.945 14.054 ( 0.000 1.297 0.516) 1.396 14.065 ( 0.000 0.086 -0.374) 0.384 14.161 ( 0.000 0.624 1.339) 1.478 14.175 ( 0.000 -0.779 0.119) 0.788 14.366 ( 0.000 0.850 0.109) 0.857 14.366 ( 0.000 0.564 -0.089) 0.571 14.444 ( 0.000 -1.422 0.697) 1.584 14.447 ( 0.000 -1.945 0.025) 1.945 14.731 ( 0.000 1.215 4.993) 5.139 14.786 ( 0.000 -3.614 -0.510) 3.650 14.937 ( 0.000 1.281 -0.119) 1.287 14.958 ( 0.000 -0.784 -2.263) 2.395 15.380 ( 0.000 2.780 4.264) 5.091 15.402 ( 0.000 0.862 2.958) 3.081 15.753 ( 0.000 3.828 -1.977) 4.309 15.810 ( 0.000 -0.821 -6.451) 6.503 15.839 ( 0.000 4.482 -2.153) 4.973 15.865 ( 0.000 2.516 -4.627) 5.267 16.160 ( 0.000 1.139 1.760) 2.097 16.175 ( 0.000 -0.522 0.154) 0.544 19.159 ( 0.000 3.730 7.299) 8.197 19.236 ( 0.000 -3.464 -0.222) 3.472 19.470 ( 0.000 9.233 17.959) 20.193 19.644 ( 0.000 -5.458 10.109) 11.489 19.948 ( 0.000 3.253 -11.419) 11.873 20.107 ( 0.000 -10.170 -17.453) 20.200 20.279 ( 0.000 -1.270 -1.333) 1.841 20.318 ( 0.000 -4.828 -5.211) 7.104 20.997 ( 0.000 -0.048 -0.426) 0.429 21.022 ( 0.000 -2.392 -3.151) 3.957 21.534 ( 0.000 0.236 0.454) 0.511 21.544 ( 0.000 -0.530 0.131) 0.546 21.633 ( 0.000 -0.795 2.369) 2.499 21.641 ( 0.000 -1.605 1.972) 2.543 21.843 ( 0.000 1.019 3.871) 4.003 21.859 ( 0.000 -0.523 2.672) 2.723 22.065 ( 0.000 1.856 0.989) 2.103 22.068 ( 0.000 1.393 1.007) 1.719 22.194 ( 0.000 0.654 -0.361) 0.747 22.217 ( 0.000 -1.129 -2.326) 2.585 22.367 ( 0.000 2.187 2.877) 3.614 22.417 ( 0.000 -2.060 -2.154) 2.981 22.542 ( 0.000 1.194 0.391) 1.257 22.545 ( 0.000 0.942 0.265) 0.978 23.774 ( 0.000 -1.064 -0.385) 1.131 23.814 ( 0.000 -4.865 -3.720) 6.124 24.043 ( 0.000 2.400 1.598) 2.883 24.076 ( 0.000 -0.475 0.461) 0.662 24.311 ( 0.000 1.871 -6.010) 6.294 24.351 ( 0.000 -1.514 -8.387) 8.523 24.551 ( 0.000 0.357 3.282) 3.301 24.557 ( 0.000 -0.249 2.562) 2.574 24.661 ( 0.000 0.479 0.614) 0.779 24.665 ( 0.000 0.139 0.110) 0.178 24.767 ( 0.000 -0.737 0.047) 0.738 24.769 ( 0.000 -0.994 -0.209) 1.016 25.534 ( 0.000 1.052 1.028) 1.471 25.540 ( 0.000 0.511 0.313) 0.600 25.708 ( 0.000 1.451 1.450) 2.051 25.709 ( 0.000 1.384 1.372) 1.948 ======================= Grid point 86 (35/36) ======================= q-point: ( 0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.528 -0.176 2.057) 2.568 1.341 ( -0.344 0.127 -3.742) 3.760 1.391 ( 1.096 0.064 4.150) 4.292 1.457 ( 2.232 -0.574 -2.540) 3.430 1.675 ( 0.321 -0.978 0.611) 1.197 1.699 ( 1.257 -0.231 -1.475) 1.952 1.761 ( -1.026 1.161 2.881) 3.271 1.803 ( 0.037 0.193 -0.901) 0.922 1.896 ( 1.646 0.536 3.231) 3.665 1.936 ( 2.719 0.677 -0.104) 2.804 1.985 ( -0.105 0.146 0.277) 0.330 2.009 ( 0.172 0.443 -1.058) 1.160 2.114 ( -1.187 1.956 3.143) 3.888 2.145 ( 0.563 1.622 0.781) 1.886 2.181 ( -0.830 -0.300 1.873) 2.070 2.203 ( -1.785 0.163 0.330) 1.823 2.299 ( 0.553 1.495 3.541) 3.883 2.348 ( 4.454 1.025 -0.297) 4.580 2.359 ( 4.145 -2.057 2.692) 5.353 2.427 ( 4.925 0.687 3.804) 6.261 2.485 ( -0.314 -0.713 3.247) 3.339 2.557 ( 1.028 0.700 0.933) 1.555 2.615 ( 6.876 6.555 6.004) 11.238 2.691 ( 7.944 1.548 2.741) 8.545 2.771 ( 6.173 -1.372 -0.736) 6.366 2.800 ( 6.156 -3.098 -3.974) 7.955 2.975 ( -2.097 5.504 10.989) 12.468 3.018 ( -1.594 -5.775 3.374) 6.875 3.079 ( 0.851 -2.329 1.000) 2.674 3.231 ( -0.146 -1.142 -2.395) 2.657 3.291 ( -3.719 -2.343 3.338) 5.519 3.339 ( -3.684 -1.384 0.945) 4.047 3.413 ( 1.748 0.411 3.520) 3.952 3.448 ( 1.446 1.034 1.953) 2.640 3.505 ( 0.392 2.922 1.120) 3.154 3.522 ( 2.455 0.973 -2.354) 3.538 3.642 ( -3.412 0.049 4.593) 5.721 3.686 ( -3.932 -1.537 -1.359) 4.435 3.759 ( 2.899 1.648 -1.152) 3.528 3.807 ( 1.497 -2.674 -2.882) 4.207 3.888 ( 0.981 -0.042 -8.542) 8.598 3.969 ( 2.383 5.296 -9.056) 10.758 4.093 ( -8.726 7.199 3.747) 11.917 4.138 ( -3.695 5.024 0.906) 6.302 4.198 ( -4.083 -1.267 0.488) 4.303 4.283 ( -1.846 -1.695 -3.432) 4.250 4.358 ( -4.313 2.374 -1.379) 5.113 4.459 ( 0.706 0.133 -6.520) 6.559 4.525 ( -5.538 -2.129 -1.997) 6.260 4.584 ( -1.428 -1.674 -6.466) 6.830 4.762 ( -6.781 3.768 -0.673) 7.787 4.826 ( -5.911 4.174 -6.098) 9.463 4.976 ( -2.661 -0.277 2.330) 3.548 5.021 ( -0.002 -2.691 -1.621) 3.142 5.163 ( -2.420 1.172 0.313) 2.707 5.182 ( -2.960 -0.122 -0.591) 3.021 5.335 ( 3.282 -0.695 1.550) 3.696 5.368 ( 4.832 -1.399 -1.856) 5.362 5.491 ( -1.777 4.562 1.974) 5.279 5.518 ( -1.014 2.502 -0.910) 2.849 5.636 ( -3.138 -1.712 4.467) 5.721 5.672 ( 0.231 -4.220 1.961) 4.660 5.723 ( -1.592 2.939 -0.372) 3.364 5.728 ( 0.817 1.052 1.532) 2.030 5.800 ( -2.417 1.629 -1.620) 3.335 5.817 ( 0.669 -1.201 -2.069) 2.484 5.911 ( 3.186 0.470 2.135) 3.863 5.964 ( 1.949 0.121 -3.681) 4.167 6.055 ( 0.859 5.201 1.100) 5.385 6.070 ( -1.378 1.925 -0.943) 2.548 6.118 ( 3.168 3.736 2.446) 5.475 6.177 ( 4.104 2.148 -1.891) 5.004 6.273 ( 6.277 -3.936 4.035) 8.437 6.335 ( 2.128 -6.631 0.224) 6.968 6.396 ( 4.097 -1.708 0.038) 4.438 6.442 ( -0.360 -5.208 -3.293) 6.172 6.666 ( 4.624 -1.692 2.318) 5.442 6.685 ( 4.314 -3.115 0.815) 5.383 6.830 ( 3.086 4.919 5.664) 8.112 6.935 ( 2.728 6.049 -3.837) 7.665 7.003 ( -3.890 3.767 11.210) 12.449 7.098 ( -3.413 -0.331 3.939) 5.222 7.190 ( -3.904 1.573 -6.644) 7.865 7.290 ( 0.959 3.433 -12.028) 12.545 7.500 ( -4.739 5.426 3.198) 7.882 7.564 ( -6.015 0.444 -1.130) 6.136 7.656 ( -5.951 -1.590 4.150) 7.427 7.687 ( -8.063 -1.193 1.353) 8.262 7.741 ( -1.535 -0.214 -0.779) 1.735 7.778 ( -3.140 -0.463 -3.420) 4.666 8.039 ( 3.522 -4.053 3.196) 6.248 8.154 ( 1.708 2.838 0.124) 3.315 8.209 ( 1.636 -1.134 2.447) 3.154 8.247 ( 5.046 -2.957 -3.339) 6.735 8.492 ( 1.428 2.590 -3.523) 4.600 8.526 ( 0.253 1.605 -6.131) 6.343 8.625 ( 4.006 0.436 0.610) 4.075 8.661 ( 3.966 -1.537 -1.267) 4.438 8.827 ( -3.136 1.270 -0.932) 3.509 8.855 ( -2.270 -0.935 -3.346) 4.150 9.005 ( 4.825 0.403 1.801) 5.166 9.049 ( 5.498 -0.440 -2.781) 6.177 9.226 ( -4.172 -2.497 2.195) 5.334 9.256 ( -4.803 -2.283 -0.803) 5.379 9.392 ( 3.498 -1.823 3.147) 5.046 9.426 ( 1.931 -1.269 -0.244) 2.323 9.614 ( -4.071 -2.594 3.588) 6.015 9.652 ( -3.927 -2.485 -0.030) 4.648 9.841 ( 6.171 -3.660 8.801) 11.355 9.973 ( 11.297 -2.702 -3.867) 12.243 10.451 ( -7.672 -2.008 4.728) 9.233 10.529 ( -2.990 -1.921 -2.685) 4.454 11.664 ( 0.702 -1.009 -0.708) 1.419 11.696 ( 1.757 -1.909 -4.062) 4.820 11.830 ( -0.711 -4.972 -1.812) 5.339 11.835 ( -0.498 -5.367 -2.347) 5.879 12.102 ( 2.156 1.752 3.531) 4.493 12.138 ( 2.654 -0.434 -0.121) 2.692 12.235 ( -2.131 -2.307 2.517) 4.025 12.248 ( -1.568 -2.466 1.033) 3.099 12.732 ( 0.341 1.635 3.763) 4.117 12.762 ( -0.543 -0.640 1.720) 1.914 12.860 ( -6.514 0.688 2.332) 6.953 12.927 ( -4.879 1.528 -2.148) 5.545 13.143 ( 4.986 0.481 1.340) 5.185 13.229 ( 5.977 -1.487 -5.635) 8.348 13.360 ( 0.126 1.415 -0.230) 1.439 13.368 ( 0.013 1.505 -0.936) 1.772 13.416 ( -1.048 1.336 -0.771) 1.865 13.431 ( -0.379 1.710 -1.806) 2.516 13.675 ( -0.249 1.410 2.467) 2.852 13.700 ( 0.741 0.904 -0.307) 1.208 14.018 ( -2.104 0.857 1.607) 2.783 14.051 ( -1.356 0.090 -1.732) 2.201 14.156 ( -0.527 1.522 3.275) 3.650 14.188 ( 0.248 -1.259 -0.045) 1.284 14.322 ( -0.134 0.240 1.148) 1.180 14.360 ( 0.556 -1.379 -2.895) 3.255 14.551 ( 7.414 0.008 1.341) 7.534 14.569 ( 8.514 -1.053 -0.474) 8.592 14.694 ( -2.555 0.889 4.444) 5.202 14.745 ( -3.450 -2.627 -0.809) 4.411 14.894 ( -4.312 0.557 0.293) 4.358 14.911 ( -4.797 -0.874 -1.630) 5.141 15.413 ( 3.119 1.441 6.779) 7.600 15.454 ( 4.682 1.877 4.508) 6.765 15.712 ( -3.716 2.751 -4.616) 6.533 15.766 ( -3.560 1.694 -8.388) 9.269 15.848 ( 0.797 4.512 -0.738) 4.641 15.890 ( 1.403 0.833 -5.207) 5.457 16.162 ( 0.200 1.163 1.663) 2.039 16.175 ( 0.052 -0.331 0.234) 0.409 19.161 ( 0.178 3.630 7.399) 8.243 19.243 ( 0.601 -3.022 -0.620) 3.143 19.464 ( -0.574 8.835 18.120) 20.167 19.639 ( -0.392 -5.368 10.232) 11.561 19.942 ( -0.486 2.577 -10.978) 11.287 20.112 ( 0.435 -9.548 -18.326) 20.669 20.278 ( -0.125 -1.248 -1.348) 1.841 20.318 ( -0.020 -4.921 -5.283) 7.220 21.028 ( 3.834 -0.866 2.105) 4.458 21.086 ( 5.272 -0.957 -3.634) 6.474 21.462 ( -7.568 0.068 4.759) 8.940 21.521 ( -2.474 -0.985 -2.083) 3.381 21.589 ( -0.402 -0.561 1.710) 1.844 21.674 ( 0.078 -1.666 -4.135) 4.459 21.793 ( -2.891 -0.078 6.413) 7.035 21.871 ( 0.250 0.136 0.711) 0.766 22.052 ( -0.715 0.870 2.865) 3.078 22.084 ( 1.036 1.476 -0.456) 1.860 22.209 ( 1.078 1.177 0.887) 1.826 22.233 ( 1.359 0.091 -1.335) 1.907 22.366 ( -0.052 2.233 2.706) 3.509 22.422 ( 0.548 -2.299 -2.544) 3.473 22.526 ( -1.289 0.916 0.530) 1.669 22.532 ( -1.264 0.769 0.026) 1.479 23.810 ( 2.952 -0.590 0.179) 3.015 23.847 ( 3.383 -3.882 -2.449) 5.702 24.008 ( -2.741 0.618 4.438) 5.252 24.126 ( 4.147 0.064 -1.542) 4.425 24.292 ( -2.231 1.046 -7.998) 8.369 24.339 ( -0.996 -1.201 -8.566) 8.707 24.542 ( -0.393 0.422 4.588) 4.624 24.574 ( 1.139 -0.085 1.535) 1.914 24.658 ( -0.343 0.331 0.111) 0.489 24.661 ( -0.265 -0.032 -0.356) 0.445 24.746 ( -1.386 -0.490 1.460) 2.072 24.773 ( -0.171 -0.554 -0.804) 0.991 25.531 ( 0.023 0.800 2.099) 2.246 25.557 ( 1.232 0.820 -0.738) 1.654 25.695 ( -1.188 1.490 1.692) 2.548 25.699 ( -0.856 1.460 1.096) 2.016 ======================= Grid point 87 (36/36) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 -0.473 2.304) 2.352 1.334 ( 0.000 -0.000 -4.730) 4.730 1.406 ( 0.000 -0.097 5.941) 5.942 1.479 ( 0.000 -0.672 -2.236) 2.335 1.679 ( 0.000 -0.623 1.943) 2.041 1.715 ( -0.000 -0.573 -1.852) 1.939 1.742 ( 0.000 0.757 3.413) 3.496 1.802 ( 0.000 -1.351 -2.296) 2.664 1.932 ( 0.000 1.004 3.194) 3.348 1.959 ( 0.000 4.105 3.466) 5.373 1.984 ( 0.000 0.854 -1.943) 2.123 2.007 ( 0.000 1.505 -1.314) 1.998 2.106 ( 0.000 -1.117 3.004) 3.205 2.150 ( 0.000 -0.690 2.832) 2.915 2.159 ( 0.000 0.865 -1.561) 1.785 2.176 ( 0.000 -2.032 1.591) 2.581 2.307 ( 0.000 2.218 6.169) 6.555 2.387 ( -0.000 -1.606 1.157) 1.979 2.402 ( 0.000 -1.181 12.855) 12.909 2.449 ( 0.000 1.494 -3.548) 3.850 2.549 ( -0.000 1.442 -11.115) 11.208 2.556 ( 0.000 2.704 -1.397) 3.043 2.655 ( 0.000 9.546 6.289) 11.431 2.848 ( 0.000 7.126 -9.215) 11.649 2.879 ( -0.000 4.668 9.594) 10.670 2.917 ( -0.000 -0.804 11.630) 11.658 2.941 ( 0.000 -2.807 -2.056) 3.479 3.007 ( 0.000 -8.648 0.960) 8.701 3.099 ( -0.000 -7.126 12.238) 14.161 3.116 ( 0.000 -4.332 7.266) 8.460 3.271 ( 0.000 -5.869 -6.350) 8.647 3.308 ( 0.000 -5.546 2.792) 6.209 3.438 ( -0.000 1.891 7.176) 7.421 3.502 ( 0.000 0.250 1.473) 1.494 3.532 ( 0.000 5.526 -1.183) 5.651 3.579 ( 0.000 0.518 -3.857) 3.891 3.622 ( 0.000 3.609 -2.958) 4.666 3.661 ( -0.000 -0.160 -3.715) 3.718 3.762 ( 0.000 8.279 3.432) 8.962 3.821 ( 0.000 -2.812 -1.096) 3.018 3.882 ( -0.000 1.628 -0.759) 1.796 3.884 ( 0.000 3.334 -4.518) 5.615 3.956 ( 0.000 -4.579 -3.387) 5.695 4.043 ( 0.000 3.922 -12.285) 12.896 4.180 ( -0.000 2.425 4.461) 5.078 4.268 ( 0.000 0.878 -6.018) 6.082 4.305 ( 0.000 8.224 4.961) 9.605 4.450 ( 0.000 -3.854 -5.881) 7.031 4.527 ( 0.000 -0.940 1.362) 1.655 4.622 ( 0.000 0.144 -9.580) 9.581 4.686 ( 0.000 3.294 -1.402) 3.580 4.741 ( 0.000 1.604 -6.223) 6.427 4.956 ( 0.000 1.870 4.293) 4.682 5.042 ( 0.000 -2.773 -2.830) 3.963 5.091 ( 0.000 -1.847 3.543) 3.995 5.124 ( 0.000 -4.133 -0.130) 4.135 5.367 ( 0.000 -1.355 3.948) 4.174 5.442 ( -0.000 -0.336 -4.101) 4.115 5.463 ( 0.000 7.617 1.722) 7.809 5.504 ( 0.000 3.320 -2.129) 3.944 5.622 ( 0.000 -0.967 3.216) 3.358 5.683 ( 0.000 -3.899 -2.017) 4.390 5.707 ( 0.000 2.050 0.681) 2.161 5.747 ( 0.000 3.260 3.337) 4.665 5.751 ( -0.000 -0.814 -3.451) 3.546 5.834 ( 0.000 -2.532 -4.649) 5.294 5.960 ( 0.000 1.341 4.655) 4.845 6.018 ( 0.000 0.377 -1.234) 1.290 6.029 ( -0.000 3.502 -1.602) 3.851 6.047 ( 0.000 1.980 -2.337) 3.063 6.150 ( 0.000 4.566 4.690) 6.545 6.228 ( 0.000 3.951 -2.758) 4.818 6.299 ( 0.000 -7.208 4.004) 8.246 6.365 ( -0.000 -3.411 5.533) 6.500 6.393 ( 0.000 -4.449 -5.345) 6.955 6.491 ( 0.000 -3.237 -7.009) 7.721 6.759 ( 0.000 -0.455 6.805) 6.820 6.797 ( -0.000 1.660 2.681) 3.153 6.820 ( 0.000 0.365 19.286) 19.290 6.941 ( 0.000 6.616 -0.192) 6.618 7.016 ( -0.000 6.648 8.289) 10.626 7.064 ( 0.000 2.987 -6.369) 7.035 7.079 ( 0.000 -1.952 -11.024) 11.195 7.289 ( 0.000 8.631 -17.169) 19.217 7.473 ( -0.000 -0.059 5.201) 5.201 7.516 ( -0.000 -6.034 5.672) 8.281 7.534 ( 0.000 -2.891 -1.239) 3.145 7.575 ( -0.000 -4.443 -0.770) 4.509 7.734 ( 0.000 0.427 1.302) 1.370 7.790 ( 0.000 1.857 -2.710) 3.285 8.106 ( -0.000 1.032 11.914) 11.959 8.110 ( 0.000 -3.066 1.708) 3.510 8.257 ( 0.000 0.183 -12.337) 12.338 8.269 ( 0.000 2.560 -0.505) 2.609 8.492 ( 0.000 2.519 -2.637) 3.647 8.582 ( 0.000 -1.023 -6.333) 6.415 8.670 ( 0.000 0.537 -0.208) 0.576 8.736 ( 0.000 0.953 -5.387) 5.470 8.745 ( -0.000 -0.973 4.746) 4.845 8.828 ( 0.000 1.407 -3.849) 4.098 9.078 ( 0.000 -1.410 3.658) 3.921 9.128 ( 0.000 -1.866 -2.015) 2.747 9.160 ( -0.000 -1.177 1.738) 2.099 9.182 ( 0.000 -2.574 -0.402) 2.605 9.447 ( 0.000 -0.942 0.850) 1.269 9.452 ( 0.000 -1.300 0.367) 1.351 9.560 ( 0.000 -2.486 4.705) 5.321 9.610 ( 0.000 -2.344 -0.317) 2.365 9.914 ( 0.000 -4.252 11.756) 12.501 10.136 ( 0.000 -3.056 -11.565) 11.962 10.323 ( 0.000 -1.752 12.050) 12.177 10.488 ( 0.000 -1.274 -5.696) 5.837 11.672 ( 0.000 -0.966 -0.256) 1.000 11.716 ( 0.000 -1.574 -4.952) 5.197 11.820 ( 0.000 -4.856 -1.686) 5.141 11.828 ( 0.000 -5.308 -2.467) 5.853 12.139 ( 0.000 0.941 5.504) 5.584 12.195 ( -0.000 -1.943 2.509) 3.174 12.204 ( 0.000 0.215 -1.090) 1.111 12.205 ( -0.000 -2.691 1.432) 3.048 12.743 ( 0.000 0.394 1.355) 1.412 12.763 ( 0.000 0.583 -0.752) 0.951 12.778 ( 0.000 1.117 5.965) 6.068 12.870 ( 0.000 1.452 -2.351) 2.763 13.194 ( 0.000 -0.531 2.037) 2.105 13.297 ( 0.000 -1.585 -7.685) 7.847 13.367 ( 0.000 1.139 0.468) 1.231 13.371 ( 0.000 2.388 3.014) 3.846 13.396 ( 0.000 0.628 -2.650) 2.724 13.424 ( 0.000 2.369 -2.581) 3.504 13.672 ( 0.000 1.386 2.928) 3.240 13.708 ( 0.000 0.894 -0.963) 1.314 13.999 ( 0.000 0.756 1.972) 2.112 14.038 ( 0.000 -0.180 -2.126) 2.133 14.147 ( 0.000 1.795 4.219) 4.585 14.186 ( 0.000 -1.290 0.073) 1.292 14.333 ( 0.000 0.235 1.048) 1.074 14.379 ( 0.000 -2.249 -3.790) 4.407 14.606 ( 0.000 1.455 4.116) 4.365 14.653 ( 0.000 -1.858 -1.075) 2.146 14.713 ( 0.000 -0.050 0.762) 0.764 14.737 ( 0.000 -0.660 -1.724) 1.846 14.815 ( 0.000 -0.771 1.162) 1.395 14.826 ( 0.000 -0.681 0.089) 0.687 15.454 ( 0.000 0.400 10.174) 10.182 15.520 ( 0.000 2.836 10.354) 10.735 15.657 ( 0.000 0.877 -11.056) 11.091 15.722 ( 0.000 3.897 -10.893) 11.569 15.856 ( 0.000 4.299 -0.523) 4.331 15.904 ( 0.000 0.251 -5.508) 5.513 16.164 ( 0.000 1.231 1.595) 2.015 16.176 ( 0.000 -0.177 0.305) 0.353 19.163 ( 0.000 3.548 7.500) 8.297 19.250 ( 0.000 -2.574 -1.104) 2.801 19.457 ( 0.000 8.410 18.369) 20.203 19.635 ( 0.000 -5.271 10.352) 11.616 19.936 ( 0.000 2.035 -10.603) 10.796 20.117 ( 0.000 -9.066 -19.080) 21.124 20.277 ( 0.000 -1.223 -1.360) 1.829 20.318 ( 0.000 -5.017 -5.366) 7.346 21.092 ( 0.000 -0.616 3.927) 3.975 21.154 ( 0.000 -0.167 -2.396) 2.402 21.356 ( 0.000 -0.857 6.397) 6.454 21.484 ( 0.000 -0.604 -6.101) 6.131 21.588 ( 0.000 -0.367 0.932) 1.002 21.666 ( 0.000 -2.332 -6.654) 7.051 21.768 ( 0.000 -0.346 8.653) 8.660 21.872 ( 0.000 0.163 -0.300) 0.341 22.045 ( 0.000 0.671 3.847) 3.905 22.096 ( 0.000 0.951 -1.509) 1.783 22.220 ( 0.000 1.595 2.163) 2.687 22.249 ( 0.000 1.195 -0.548) 1.314 22.365 ( 0.000 2.281 2.506) 3.389 22.431 ( 0.000 -2.530 -3.064) 3.973 22.511 ( 0.000 0.780 0.563) 0.962 22.516 ( 0.000 0.441 0.053) 0.445 23.841 ( 0.000 -0.354 0.744) 0.824 23.911 ( -0.000 -1.751 -6.837) 7.058 23.957 ( 0.000 -1.188 11.941) 12.000 24.198 ( 0.000 0.050 5.049) 5.050 24.241 ( 0.000 -0.346 -17.573) 17.576 24.327 ( 0.000 -0.697 -8.787) 8.815 24.539 ( 0.000 0.715 5.378) 5.425 24.587 ( 0.000 0.022 0.859) 0.860 24.653 ( 0.000 0.052 -0.287) 0.291 24.659 ( 0.000 -0.478 -0.995) 1.104 24.730 ( 0.000 0.148 2.670) 2.674 24.770 ( 0.000 -0.231 -0.978) 1.005 25.532 ( 0.000 0.783 2.800) 2.907 25.572 ( 0.000 0.876 -1.577) 1.804 25.680 ( 0.000 1.563 2.093) 2.612 25.689 ( 0.000 1.511 0.817) 1.718 =================== 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 3/26880 10.0 126.325 76.203 160.657 0.000 0.000 0.000 3/26880 20.0 17.489 13.429 22.013 0.000 0.000 0.000 3/26880 30.0 7.390 6.414 9.843 0.000 0.000 0.000 3/26880 40.0 4.544 4.199 6.293 0.000 0.000 0.000 3/26880 50.0 3.296 3.163 4.683 0.000 0.000 0.000 3/26880 60.0 2.611 2.569 3.775 0.000 0.000 0.000 3/26880 70.0 2.180 2.185 3.191 0.000 0.000 0.000 3/26880 80.0 1.882 1.913 2.782 0.000 0.000 0.000 3/26880 90.0 1.663 1.710 2.477 0.000 0.000 0.000 3/26880 100.0 1.494 1.551 2.239 0.000 0.000 0.000 3/26880 110.0 1.358 1.422 2.047 0.000 0.000 0.000 3/26880 120.0 1.247 1.315 1.889 0.000 0.000 0.000 3/26880 130.0 1.153 1.224 1.755 0.000 0.000 0.000 3/26880 140.0 1.073 1.146 1.641 0.000 0.000 0.000 3/26880 150.0 1.004 1.079 1.541 0.000 0.000 0.000 3/26880 160.0 0.943 1.019 1.455 0.000 0.000 0.000 3/26880 170.0 0.889 0.967 1.378 0.000 0.000 0.000 3/26880 180.0 0.842 0.919 1.310 0.000 0.000 0.000 3/26880 190.0 0.799 0.877 1.249 0.000 0.000 0.000 3/26880 200.0 0.760 0.838 1.194 0.000 0.000 0.000 3/26880 210.0 0.725 0.803 1.143 0.000 0.000 0.000 3/26880 220.0 0.693 0.771 1.098 0.000 0.000 0.000 3/26880 230.0 0.664 0.742 1.056 0.000 0.000 0.000 3/26880 240.0 0.637 0.714 1.017 0.000 0.000 0.000 3/26880 250.0 0.612 0.689 0.981 0.000 0.000 0.000 3/26880 260.0 0.589 0.665 0.948 0.000 0.000 0.000 3/26880 270.0 0.568 0.643 0.917 0.000 0.000 0.000 3/26880 280.0 0.548 0.623 0.888 0.000 0.000 0.000 3/26880 290.0 0.530 0.604 0.861 0.000 0.000 0.000 3/26880 300.0 0.513 0.586 0.836 0.000 0.000 0.000 3/26880 310.0 0.497 0.569 0.812 0.000 0.000 0.000 3/26880 320.0 0.481 0.552 0.789 0.000 0.000 0.000 3/26880 330.0 0.467 0.537 0.768 0.000 0.000 0.000 3/26880 340.0 0.454 0.523 0.748 0.000 0.000 0.000 3/26880 350.0 0.441 0.509 0.729 0.000 0.000 0.000 3/26880 360.0 0.429 0.496 0.710 0.000 0.000 0.000 3/26880 370.0 0.418 0.484 0.693 0.000 0.000 0.000 3/26880 380.0 0.407 0.472 0.677 0.000 0.000 0.000 3/26880 390.0 0.397 0.461 0.661 0.000 0.000 0.000 3/26880 400.0 0.387 0.450 0.646 0.000 0.000 0.000 3/26880 410.0 0.377 0.440 0.631 0.000 0.000 0.000 3/26880 420.0 0.369 0.430 0.618 0.000 0.000 0.000 3/26880 430.0 0.360 0.421 0.605 0.000 0.000 0.000 3/26880 440.0 0.352 0.412 0.592 0.000 0.000 0.000 3/26880 450.0 0.344 0.404 0.580 0.000 0.000 0.000 3/26880 460.0 0.337 0.395 0.568 0.000 0.000 0.000 3/26880 470.0 0.330 0.388 0.557 0.000 0.000 0.000 3/26880 480.0 0.323 0.380 0.546 0.000 0.000 0.000 3/26880 490.0 0.317 0.373 0.536 0.000 0.000 0.000 3/26880 500.0 0.310 0.366 0.526 0.000 0.000 0.000 3/26880 510.0 0.304 0.359 0.516 0.000 0.000 0.000 3/26880 520.0 0.299 0.352 0.507 0.000 0.000 0.000 3/26880 530.0 0.293 0.346 0.498 0.000 0.000 0.000 3/26880 540.0 0.288 0.340 0.490 0.000 0.000 0.000 3/26880 550.0 0.283 0.334 0.481 0.000 0.000 0.000 3/26880 560.0 0.278 0.328 0.473 0.000 0.000 0.000 3/26880 570.0 0.273 0.323 0.465 0.000 0.000 0.000 3/26880 580.0 0.268 0.317 0.458 0.000 0.000 0.000 3/26880 590.0 0.264 0.312 0.450 0.000 0.000 0.000 3/26880 600.0 0.259 0.307 0.443 0.000 0.000 0.000 3/26880 610.0 0.255 0.303 0.436 0.000 0.000 0.000 3/26880 620.0 0.251 0.298 0.430 0.000 0.000 0.000 3/26880 630.0 0.247 0.293 0.423 0.000 0.000 0.000 3/26880 640.0 0.243 0.289 0.417 0.000 0.000 0.000 3/26880 650.0 0.239 0.285 0.411 0.000 0.000 0.000 3/26880 660.0 0.236 0.280 0.405 0.000 0.000 0.000 3/26880 670.0 0.232 0.276 0.399 0.000 0.000 0.000 3/26880 680.0 0.229 0.272 0.394 0.000 0.000 0.000 3/26880 690.0 0.226 0.269 0.388 0.000 0.000 0.000 3/26880 700.0 0.222 0.265 0.383 0.000 0.000 0.000 3/26880 710.0 0.219 0.261 0.378 0.000 0.000 0.000 3/26880 720.0 0.216 0.258 0.373 0.000 0.000 0.000 3/26880 730.0 0.213 0.254 0.368 0.000 0.000 0.000 3/26880 740.0 0.211 0.251 0.363 0.000 0.000 0.000 3/26880 750.0 0.208 0.248 0.358 0.000 0.000 0.000 3/26880 760.0 0.205 0.245 0.354 0.000 0.000 0.000 3/26880 770.0 0.202 0.242 0.349 0.000 0.000 0.000 3/26880 780.0 0.200 0.239 0.345 0.000 0.000 0.000 3/26880 790.0 0.197 0.236 0.341 0.000 0.000 0.000 3/26880 800.0 0.195 0.233 0.337 0.000 0.000 0.000 3/26880 810.0 0.192 0.230 0.333 0.000 0.000 0.000 3/26880 820.0 0.190 0.227 0.329 0.000 0.000 0.000 3/26880 830.0 0.188 0.225 0.325 0.000 0.000 0.000 3/26880 840.0 0.186 0.222 0.321 0.000 0.000 0.000 3/26880 850.0 0.183 0.219 0.317 0.000 0.000 0.000 3/26880 860.0 0.181 0.217 0.314 0.000 0.000 0.000 3/26880 870.0 0.179 0.214 0.310 0.000 0.000 0.000 3/26880 880.0 0.177 0.212 0.307 0.000 0.000 0.000 3/26880 890.0 0.175 0.210 0.304 0.000 0.000 0.000 3/26880 900.0 0.173 0.207 0.300 0.000 0.000 0.000 3/26880 910.0 0.171 0.205 0.297 0.000 0.000 0.000 3/26880 920.0 0.170 0.203 0.294 0.000 0.000 0.000 3/26880 930.0 0.168 0.201 0.291 0.000 0.000 0.000 3/26880 940.0 0.166 0.199 0.288 0.000 0.000 0.000 3/26880 950.0 0.164 0.197 0.285 0.000 0.000 0.000 3/26880 960.0 0.163 0.195 0.282 0.000 0.000 0.000 3/26880 970.0 0.161 0.193 0.279 0.000 0.000 0.000 3/26880 980.0 0.159 0.191 0.276 0.000 0.000 0.000 3/26880 990.0 0.158 0.189 0.274 0.000 0.000 0.000 3/26880 1000.0 0.156 0.187 0.271 0.000 0.000 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m475.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:21:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|