# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/97571493-abdd-432a-8c1d-3189a150b377/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Cs3Cu2(BiS2)5 / Pnnm (58) / materials id 669419](https://mdr.nims.go.jp/datasets/0b478182-6a2f-483e-b8df-b9a7ae1838a9) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 21:28:34]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnnm (58)Number of symmetry operations in supercell: 24------------------------------ primitive cell ------------------------------Lattice vectors: a 14.912083770000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.815905820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.038734610000000Atomic positions (fractional): *1 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 *2 Cs 0.52319582075766 0.75158851144059 0.00000000000000 132.905 3 Cs 0.97680417924234 0.25158851144059 0.50000000000000 132.905 4 Cs 0.47680417924234 0.24841148855941 0.00000000000000 132.905 5 Cs 0.02319582075766 0.74841148855941 0.50000000000000 132.905 6 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 *7 Cu 0.78248596710718 0.76332171933398 0.00000000000000 63.546 8 Cu 0.28248596710718 0.73667828066602 0.50000000000000 63.546 9 Cu 0.21751403289282 0.23667828066602 0.00000000000000 63.546 10 Cu 0.71751403289282 0.26332171933398 0.50000000000000 63.546 *11 Bi 0.71267570173514 0.41073090994912 0.00000000000000 208.980 *12 Bi 0.24426842994996 0.39003468290105 0.50000000000000 208.980 13 Bi 0.28732429826486 0.58926909005088 0.00000000000000 208.980 14 Bi 0.75573157005004 0.60996531709895 0.50000000000000 208.980 15 Bi 0.25573157005004 0.89003468290105 0.00000000000000 208.980 16 Bi 0.21267570173514 0.08926909005088 0.50000000000000 208.980 17 Bi 0.78732429826486 0.91073090994912 0.50000000000000 208.980 18 Bi 0.74426842994996 0.10996531709895 0.00000000000000 208.980 *19 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 20 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 *21 S 0.36432623979711 0.84738652812959 0.50000000000000 32.065 *22 S 0.59629729092475 0.36420628730729 0.50000000000000 32.065 *23 S 0.38334956453462 0.44356347009538 0.00000000000000 32.065 24 S 0.86432623979711 0.65261347187041 0.00000000000000 32.065 *25 S 0.82279930361699 0.47213926436213 0.50000000000000 32.065 26 S 0.40370270907525 0.63579371269271 0.50000000000000 32.065 27 S 0.90370270907525 0.86420628730729 0.00000000000000 32.065 *28 S 0.79302409069779 0.27599613881892 0.00000000000000 32.065 29 S 0.09629729092475 0.13579371269270 0.00000000000000 32.065 30 S 0.70697590930221 0.77599613881892 0.50000000000000 32.065 31 S 0.11665043546538 0.94356347009538 0.50000000000000 32.065 32 S 0.29302409069779 0.22400386118108 0.50000000000000 32.065 33 S 0.20697590930221 0.72400386118108 0.00000000000000 32.065 34 S 0.32279930361699 0.02786073563787 0.00000000000000 32.065 35 S 0.67720069638301 0.97213926436214 0.00000000000000 32.065 36 S 0.88334956453462 0.05643652990462 0.50000000000000 32.065 37 S 0.63567376020289 0.15261347187041 0.50000000000000 32.065 38 S 0.13567376020289 0.34738652812959 0.00000000000000 32.065 39 S 0.17720069638301 0.52786073563786 0.50000000000000 32.065 40 S 0.61665043546538 0.55643652990462 0.00000000000000 32.065-------------------------------- unit cell ---------------------------------Lattice vectors: a 14.912083770000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.815905820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.038734610000000Atomic positions (fractional): *1 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 > 1 *2 Cs 0.52319582075766 0.75158851144059 0.00000000000000 132.905 > 2 3 Cs 0.97680417924234 0.25158851144059 0.50000000000000 132.905 > 3 4 Cs 0.47680417924234 0.24841148855941 0.00000000000000 132.905 > 4 5 Cs 0.02319582075766 0.74841148855941 0.50000000000000 132.905 > 5 6 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 6 *7 Cu 0.78248596710718 0.76332171933398 0.00000000000000 63.546 > 7 8 Cu 0.28248596710718 0.73667828066602 0.50000000000000 63.546 > 8 9 Cu 0.21751403289282 0.23667828066602 0.00000000000000 63.546 > 9 10 Cu 0.71751403289282 0.26332171933398 0.50000000000000 63.546 > 10 *11 Bi 0.71267570173514 0.41073090994912 0.00000000000000 208.980 > 11 *12 Bi 0.24426842994996 0.39003468290105 0.50000000000000 208.980 > 12 13 Bi 0.28732429826486 0.58926909005088 0.00000000000000 208.980 > 13 14 Bi 0.75573157005004 0.60996531709895 0.50000000000000 208.980 > 14 15 Bi 0.25573157005004 0.89003468290105 0.00000000000000 208.980 > 15 16 Bi 0.21267570173514 0.08926909005088 0.50000000000000 208.980 > 16 17 Bi 0.78732429826486 0.91073090994912 0.50000000000000 208.980 > 17 18 Bi 0.74426842994996 0.10996531709895 0.00000000000000 208.980 > 18 *19 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 19 20 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 20 *21 S 0.36432623979711 0.84738652812959 0.50000000000000 32.065 > 21 *22 S 0.59629729092475 0.36420628730729 0.50000000000000 32.065 > 22 *23 S 0.38334956453462 0.44356347009538 0.00000000000000 32.065 > 23 24 S 0.86432623979711 0.65261347187041 0.00000000000000 32.065 > 24 *25 S 0.82279930361699 0.47213926436213 0.50000000000000 32.065 > 25 26 S 0.40370270907525 0.63579371269271 0.50000000000000 32.065 > 26 27 S 0.90370270907525 0.86420628730729 0.00000000000000 32.065 > 27 *28 S 0.79302409069779 0.27599613881892 0.00000000000000 32.065 > 28 29 S 0.09629729092475 0.13579371269270 0.00000000000000 32.065 > 29 30 S 0.70697590930221 0.77599613881892 0.50000000000000 32.065 > 30 31 S 0.11665043546538 0.94356347009538 0.50000000000000 32.065 > 31 32 S 0.29302409069779 0.22400386118108 0.50000000000000 32.065 > 32 33 S 0.20697590930221 0.72400386118108 0.00000000000000 32.065 > 33 34 S 0.32279930361699 0.02786073563787 0.00000000000000 32.065 > 34 35 S 0.67720069638301 0.97213926436214 0.00000000000000 32.065 > 35 36 S 0.88334956453462 0.05643652990462 0.50000000000000 32.065 > 36 37 S 0.63567376020289 0.15261347187041 0.50000000000000 32.065 > 37 38 S 0.13567376020289 0.34738652812959 0.00000000000000 32.065 > 38 39 S 0.17720069638301 0.52786073563786 0.50000000000000 32.065 > 39 40 S 0.61665043546538 0.55643652990462 0.00000000000000 32.065 > 40-------------------------------- super cell --------------------------------Lattice vectors: a 14.912083770000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.815905820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.116203830000000Atomic positions (fractional): *1 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 > 1 2 Cs 0.00000000000000 0.50000000000000 0.33333333333333 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.66666666666667 132.905 > 1 *4 Cs 0.52319582075766 0.75158851144059 0.00000000000000 132.905 > 2 5 Cs 0.52319582075766 0.75158851144059 0.33333333333333 132.905 > 2 6 Cs 0.52319582075766 0.75158851144059 0.66666666666667 132.905 > 2 7 Cs 0.97680417924234 0.25158851144059 0.16666666666667 132.905 > 3 8 Cs 0.97680417924234 0.25158851144059 0.50000000000000 132.905 > 3 9 Cs 0.97680417924234 0.25158851144059 0.83333333333333 132.905 > 3 10 Cs 0.47680417924234 0.24841148855941 0.00000000000000 132.905 > 4 11 Cs 0.47680417924234 0.24841148855941 0.33333333333333 132.905 > 4 12 Cs 0.47680417924234 0.24841148855941 0.66666666666667 132.905 > 4 13 Cs 0.02319582075766 0.74841148855941 0.16666666666667 132.905 > 5 14 Cs 0.02319582075766 0.74841148855941 0.50000000000000 132.905 > 5 15 Cs 0.02319582075766 0.74841148855941 0.83333333333333 132.905 > 5 16 Cs 0.50000000000000 0.00000000000000 0.16666666666667 132.905 > 6 17 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 6 18 Cs 0.50000000000000 0.00000000000000 0.83333333333333 132.905 > 6 *19 Cu 0.78248596710718 0.76332171933398 0.00000000000000 63.546 > 7 20 Cu 0.78248596710718 0.76332171933398 0.33333333333333 63.546 > 7 21 Cu 0.78248596710718 0.76332171933398 0.66666666666667 63.546 > 7 22 Cu 0.28248596710718 0.73667828066602 0.16666666666667 63.546 > 8 23 Cu 0.28248596710718 0.73667828066602 0.50000000000000 63.546 > 8 24 Cu 0.28248596710718 0.73667828066602 0.83333333333333 63.546 > 8 25 Cu 0.21751403289282 0.23667828066602 0.00000000000000 63.546 > 9 26 Cu 0.21751403289282 0.23667828066602 0.33333333333333 63.546 > 9 27 Cu 0.21751403289282 0.23667828066602 0.66666666666667 63.546 > 9 28 Cu 0.71751403289282 0.26332171933398 0.16666666666667 63.546 > 10 29 Cu 0.71751403289282 0.26332171933398 0.50000000000000 63.546 > 10 30 Cu 0.71751403289282 0.26332171933398 0.83333333333333 63.546 > 10 *31 Bi 0.71267570173514 0.41073090994912 0.00000000000000 208.980 > 11 32 Bi 0.71267570173514 0.41073090994912 0.33333333333333 208.980 > 11 33 Bi 0.71267570173514 0.41073090994912 0.66666666666667 208.980 > 11 *34 Bi 0.24426842994996 0.39003468290105 0.16666666666667 208.980 > 12 35 Bi 0.24426842994996 0.39003468290105 0.50000000000000 208.980 > 12 36 Bi 0.24426842994996 0.39003468290105 0.83333333333333 208.980 > 12 37 Bi 0.28732429826486 0.58926909005088 0.00000000000000 208.980 > 13 38 Bi 0.28732429826486 0.58926909005088 0.33333333333333 208.980 > 13 39 Bi 0.28732429826486 0.58926909005088 0.66666666666667 208.980 > 13 40 Bi 0.75573157005004 0.60996531709895 0.16666666666667 208.980 > 14 41 Bi 0.75573157005004 0.60996531709895 0.50000000000000 208.980 > 14 42 Bi 0.75573157005004 0.60996531709895 0.83333333333333 208.980 > 14 43 Bi 0.25573157005004 0.89003468290105 0.00000000000000 208.980 > 15 44 Bi 0.25573157005004 0.89003468290105 0.33333333333333 208.980 > 15 45 Bi 0.25573157005004 0.89003468290105 0.66666666666667 208.980 > 15 46 Bi 0.21267570173514 0.08926909005088 0.16666666666667 208.980 > 16 47 Bi 0.21267570173514 0.08926909005088 0.50000000000000 208.980 > 16 48 Bi 0.21267570173514 0.08926909005088 0.83333333333333 208.980 > 16 49 Bi 0.78732429826486 0.91073090994912 0.16666666666667 208.980 > 17 50 Bi 0.78732429826486 0.91073090994912 0.50000000000000 208.980 > 17 51 Bi 0.78732429826486 0.91073090994912 0.83333333333333 208.980 > 17 52 Bi 0.74426842994996 0.10996531709895 0.00000000000000 208.980 > 18 53 Bi 0.74426842994996 0.10996531709895 0.33333333333333 208.980 > 18 54 Bi 0.74426842994996 0.10996531709895 0.66666666666667 208.980 > 18 *55 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 19 56 Bi 0.00000000000000 0.00000000000000 0.33333333333333 208.980 > 19 57 Bi 0.00000000000000 0.00000000000000 0.66666666666667 208.980 > 19 58 Bi 0.50000000000000 0.50000000000000 0.16666666666667 208.980 > 20 59 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 20 60 Bi 0.50000000000000 0.50000000000000 0.83333333333333 208.980 > 20 *61 S 0.36432623979711 0.84738652812959 0.16666666666667 32.065 > 21 62 S 0.36432623979711 0.84738652812959 0.50000000000000 32.065 > 21 63 S 0.36432623979711 0.84738652812959 0.83333333333333 32.065 > 21 *64 S 0.59629729092475 0.36420628730729 0.16666666666667 32.065 > 22 65 S 0.59629729092475 0.36420628730729 0.50000000000000 32.065 > 22 66 S 0.59629729092475 0.36420628730729 0.83333333333333 32.065 > 22 *67 S 0.38334956453462 0.44356347009538 0.00000000000000 32.065 > 23 68 S 0.38334956453462 0.44356347009538 0.33333333333333 32.065 > 23 69 S 0.38334956453462 0.44356347009538 0.66666666666667 32.065 > 23 70 S 0.86432623979711 0.65261347187041 0.00000000000000 32.065 > 24 71 S 0.86432623979711 0.65261347187041 0.33333333333333 32.065 > 24 72 S 0.86432623979711 0.65261347187041 0.66666666666667 32.065 > 24 *73 S 0.82279930361699 0.47213926436213 0.16666666666667 32.065 > 25 74 S 0.82279930361699 0.47213926436213 0.50000000000000 32.065 > 25 75 S 0.82279930361699 0.47213926436213 0.83333333333333 32.065 > 25 76 S 0.40370270907525 0.63579371269271 0.16666666666667 32.065 > 26 77 S 0.40370270907525 0.63579371269271 0.50000000000000 32.065 > 26 78 S 0.40370270907525 0.63579371269271 0.83333333333333 32.065 > 26 79 S 0.90370270907525 0.86420628730729 0.00000000000000 32.065 > 27 80 S 0.90370270907525 0.86420628730729 0.33333333333333 32.065 > 27 81 S 0.90370270907525 0.86420628730729 0.66666666666667 32.065 > 27 *82 S 0.79302409069779 0.27599613881892 0.00000000000000 32.065 > 28 83 S 0.79302409069779 0.27599613881892 0.33333333333333 32.065 > 28 84 S 0.79302409069779 0.27599613881892 0.66666666666667 32.065 > 28 85 S 0.09629729092475 0.13579371269270 0.00000000000000 32.065 > 29 86 S 0.09629729092475 0.13579371269270 0.33333333333333 32.065 > 29 87 S 0.09629729092475 0.13579371269270 0.66666666666667 32.065 > 29 88 S 0.70697590930221 0.77599613881892 0.16666666666667 32.065 > 30 89 S 0.70697590930221 0.77599613881892 0.50000000000000 32.065 > 30 90 S 0.70697590930221 0.77599613881892 0.83333333333333 32.065 > 30 91 S 0.11665043546538 0.94356347009538 0.16666666666667 32.065 > 31 92 S 0.11665043546538 0.94356347009538 0.50000000000000 32.065 > 31 93 S 0.11665043546538 0.94356347009538 0.83333333333333 32.065 > 31 94 S 0.29302409069779 0.22400386118108 0.16666666666667 32.065 > 32 95 S 0.29302409069779 0.22400386118108 0.50000000000000 32.065 > 32 96 S 0.29302409069779 0.22400386118108 0.83333333333333 32.065 > 32 97 S 0.20697590930221 0.72400386118108 0.00000000000000 32.065 > 33 98 S 0.20697590930221 0.72400386118108 0.33333333333333 32.065 > 33 99 S 0.20697590930221 0.72400386118108 0.66666666666667 32.065 > 33 100 S 0.32279930361699 0.02786073563787 0.00000000000000 32.065 > 34 101 S 0.32279930361699 0.02786073563787 0.33333333333333 32.065 > 34 102 S 0.32279930361699 0.02786073563787 0.66666666666667 32.065 > 34 103 S 0.67720069638301 0.97213926436214 0.00000000000000 32.065 > 35 104 S 0.67720069638301 0.97213926436214 0.33333333333333 32.065 > 35 105 S 0.67720069638301 0.97213926436214 0.66666666666667 32.065 > 35 106 S 0.88334956453462 0.05643652990462 0.16666666666667 32.065 > 36 107 S 0.88334956453462 0.05643652990462 0.50000000000000 32.065 > 36 108 S 0.88334956453462 0.05643652990462 0.83333333333333 32.065 > 36 109 S 0.63567376020289 0.15261347187041 0.16666666666667 32.065 > 37 110 S 0.63567376020289 0.15261347187041 0.50000000000000 32.065 > 37 111 S 0.63567376020289 0.15261347187041 0.83333333333333 32.065 > 37 112 S 0.13567376020289 0.34738652812959 0.00000000000000 32.065 > 38 113 S 0.13567376020289 0.34738652812959 0.33333333333333 32.065 > 38 114 S 0.13567376020289 0.34738652812959 0.66666666666667 32.065 > 38 115 S 0.17720069638301 0.52786073563786 0.16666666666667 32.065 > 39 116 S 0.17720069638301 0.52786073563786 0.50000000000000 32.065 > 39 117 S 0.17720069638301 0.52786073563786 0.83333333333333 32.065 > 39 118 S 0.61665043546538 0.55643652990462 0.00000000000000 32.065 > 40 119 S 0.61665043546538 0.55643652990462 0.33333333333333 32.065 > 40 120 S 0.61665043546538 0.55643652990462 0.66666666666667 32.065 > 40----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.9573734 0.0000000 0.0000000 0.0000000 11.0513824 0.0000000 0.0000000 0.0000000 11.1148123-------------------------- Born effective charges -------------------------- 1 Cs 2.6820532 -0.4912156 0.0000000 -0.4336995 0.9682503 0.0000000 0.0000000 0.0000000 0.9653836 2 Cs 2.0243080 0.0542937 0.0000000 0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 3 Cs 2.0243080 -0.0542937 0.0000000 -0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 4 Cs 2.0243080 0.0542937 0.0000000 0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 5 Cs 2.0243080 -0.0542937 0.0000000 -0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 6 Cs 2.6820532 0.4912156 0.0000000 0.4336995 0.9682503 0.0000000 0.0000000 0.0000000 0.9653836 7 Cu 0.4259718 0.2587139 0.0000000 0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 8 Cu 0.4259718 -0.2587139 0.0000000 -0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 9 Cu 0.4259718 0.2587139 0.0000000 0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 10 Cu 0.4259718 -0.2587139 0.0000000 -0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 11 Bi 3.0876584 -0.6689758 0.0000000 -0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 12 Bi 2.3852668 1.7396489 0.0000000 0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 13 Bi 3.0876584 -0.6689758 0.0000000 -0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 14 Bi 2.3852668 1.7396489 0.0000000 0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 15 Bi 2.3852668 -1.7396489 0.0000000 -0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 16 Bi 3.0876584 0.6689758 0.0000000 0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 17 Bi 3.0876584 0.6689758 0.0000000 0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 18 Bi 2.3852668 -1.7396489 0.0000000 -0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 19 Bi 5.8366362 1.6707434 0.0000000 0.9490375 3.6697310 0.0000000 0.0000000 0.0000000 6.6556509 20 Bi 5.8366362 -1.6707434 0.0000000 -0.9490375 3.6697310 0.0000000 0.0000000 0.0000000 6.6556509 21 S -2.1948871 0.6204581 0.0000000 0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 22 S -2.6847659 1.0143915 0.0000000 0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 23 S -3.4893860 -0.5657958 0.0000000 -0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 24 S -2.1948871 -0.6204581 0.0000000 -0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 25 S -1.8942662 -0.6835244 0.0000000 0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 26 S -2.6847659 1.0143915 0.0000000 0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 27 S -2.6847659 -1.0143915 0.0000000 -0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 28 S -1.9192444 1.4949656 0.0000000 1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 29 S -2.6847659 -1.0143915 0.0000000 -0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 30 S -1.9192444 -1.4949656 0.0000000 -1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 31 S -3.4893860 0.5657958 0.0000000 0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 32 S -1.9192444 -1.4949656 0.0000000 -1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 33 S -1.9192444 1.4949656 0.0000000 1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 34 S -1.8942662 0.6835244 0.0000000 -0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 35 S -1.8942662 0.6835244 0.0000000 -0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 36 S -3.4893860 0.5657958 0.0000000 0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 37 S -2.1948871 0.6204581 0.0000000 0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 38 S -2.1948871 -0.6204581 0.0000000 -0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 39 S -1.8942662 -0.6835244 0.0000000 0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 40 S -3.4893860 -0.5657958 0.0000000 -0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110----------------------------------------------------------------------------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: 360/360Permutation basis: 21900/21900Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2932Number of blocks in projector: 2932Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 808Use submatrix version of eigh solver.(1) Block: 500 / 808 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 808 / 808(1) 288 eigenvectors found.(1) Complementary block size: 42(1) Compute compressed projector.(1) Use standard solver.(1) 20 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 444Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 444Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 444Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 396Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 396Use standard eigh solver.Tree of FC basis block matrices:- (2932, 2877), data: False|-- (396, 396), data: True|-- (396, 396), data: True|-- (444, 433), data: True|-- (444, 433), data: True|-- (444, 433), data: True|-- (808, 786), data: False |-- (808, 20), data: (808, 42) @ (42, 20) |-- (308, 288), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: True-----Solver_atoms: 1 -- 120 / 120Time (Solver_compr_matrix_reshape): 0.003Solver_block: 100 / 640 - Time: 0.953Solver_block: 200 / 640 - Time: 0.770Solver_block: 300 / 640 - Time: 0.770Solver_block: 400 / 640 - Time: 0.769Solver_block: 500 / 640 - Time: 0.772Solver_block: 600 / 640 - Time: 0.765Solver_block: 640 / 640 - Time: 0.422Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.341--------------------------------- Symfc end --------------------------------Max drift of force constants: 0.00000000 (yx) 0.00000000 (yx) Permutation basis: 360/360Permutation basis: 21900/21900Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 2932Number of blocks in projector: 2932Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 808Use submatrix version of eigh solver.(1) Block: 500 / 808 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 43 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found.(1) 478 eigenvectors found.(1) Block: 808 / 808(1) 288 eigenvectors found.(1) Complementary block size: 42(1) Compute compressed projector.(1) Use standard solver.(1) 20 eigenvectors found.--- Eigsh_solver_block: 2 / 6 ---Block_size: 444Use standard eigh solver.--- Eigsh_solver_block: 3 / 6 ---Block_size: 444Use standard eigh solver.--- Eigsh_solver_block: 4 / 6 ---Block_size: 444Use standard eigh solver.--- Eigsh_solver_block: 5 / 6 ---Block_size: 396Use standard eigh solver.--- Eigsh_solver_block: 6 / 6 ---Block_size: 396Use standard eigh solver.Tree of FC basis block matrices:- (2932, 2877), data: False|-- (396, 396), data: True|-- (396, 396), data: True|-- (444, 433), data: True|-- (444, 433), data: True|-- (444, 433), data: True|-- (808, 786), data: False |-- (808, 20), data: (808, 42) @ (42, 20) |-- (308, 288), data: True |-- (500, 478), data: False |-- (500, 21), data: (500, 43) @ (43, 21) |-- (250, 229), data: True |-- (250, 228), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 21:29:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:29:09]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [1 1 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnnm (58)------------------------------ primitive cell ------------------------------Lattice vectors: a 14.912083770000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.815905820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.038734610000000Atomic positions (fractional): 1 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 2 Cs 0.52319582075766 0.75158851144059 0.00000000000000 132.905 3 Cs 0.97680417924234 0.25158851144059 0.50000000000000 132.905 4 Cs 0.47680417924234 0.24841148855941 0.00000000000000 132.905 5 Cs 0.02319582075766 0.74841148855941 0.50000000000000 132.905 6 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 7 Cu 0.78248596710718 0.76332171933398 0.00000000000000 63.546 8 Cu 0.28248596710718 0.73667828066602 0.50000000000000 63.546 9 Cu 0.21751403289282 0.23667828066602 0.00000000000000 63.546 10 Cu 0.71751403289282 0.26332171933398 0.50000000000000 63.546 11 Bi 0.71267570173514 0.41073090994912 0.00000000000000 208.980 12 Bi 0.24426842994996 0.39003468290105 0.50000000000000 208.980 13 Bi 0.28732429826486 0.58926909005088 0.00000000000000 208.980 14 Bi 0.75573157005004 0.60996531709895 0.50000000000000 208.980 15 Bi 0.25573157005004 0.89003468290105 0.00000000000000 208.980 16 Bi 0.21267570173514 0.08926909005088 0.50000000000000 208.980 17 Bi 0.78732429826486 0.91073090994912 0.50000000000000 208.980 18 Bi 0.74426842994996 0.10996531709895 0.00000000000000 208.980 19 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 20 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 21 S 0.36432623979711 0.84738652812959 0.50000000000000 32.065 22 S 0.59629729092475 0.36420628730729 0.50000000000000 32.065 23 S 0.38334956453462 0.44356347009538 0.00000000000000 32.065 24 S 0.86432623979711 0.65261347187041 0.00000000000000 32.065 25 S 0.82279930361699 0.47213926436213 0.50000000000000 32.065 26 S 0.40370270907525 0.63579371269271 0.50000000000000 32.065 27 S 0.90370270907525 0.86420628730729 0.00000000000000 32.065 28 S 0.79302409069779 0.27599613881892 0.00000000000000 32.065 29 S 0.09629729092475 0.13579371269270 0.00000000000000 32.065 30 S 0.70697590930221 0.77599613881892 0.50000000000000 32.065 31 S 0.11665043546538 0.94356347009538 0.50000000000000 32.065 32 S 0.29302409069779 0.22400386118108 0.50000000000000 32.065 33 S 0.20697590930221 0.72400386118108 0.00000000000000 32.065 34 S 0.32279930361699 0.02786073563787 0.00000000000000 32.065 35 S 0.67720069638301 0.97213926436214 0.00000000000000 32.065 36 S 0.88334956453462 0.05643652990462 0.50000000000000 32.065 37 S 0.63567376020289 0.15261347187041 0.50000000000000 32.065 38 S 0.13567376020289 0.34738652812959 0.00000000000000 32.065 39 S 0.17720069638301 0.52786073563786 0.50000000000000 32.065 40 S 0.61665043546538 0.55643652990462 0.00000000000000 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 14.912083770000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.815905820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.116203830000000Atomic positions (fractional): 1 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 > 1 2 Cs 0.00000000000000 0.50000000000000 0.33333333333333 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.66666666666667 132.905 > 1 4 Cs 0.52319582075766 0.75158851144059 0.00000000000000 132.905 > 4 5 Cs 0.52319582075766 0.75158851144059 0.33333333333333 132.905 > 4 6 Cs 0.52319582075766 0.75158851144059 0.66666666666667 132.905 > 4 7 Cs 0.97680417924234 0.25158851144059 0.16666666666667 132.905 > 7 8 Cs 0.97680417924234 0.25158851144059 0.50000000000000 132.905 > 7 9 Cs 0.97680417924234 0.25158851144059 0.83333333333333 132.905 > 7 10 Cs 0.47680417924234 0.24841148855941 0.00000000000000 132.905 > 10 11 Cs 0.47680417924234 0.24841148855941 0.33333333333333 132.905 > 10 12 Cs 0.47680417924234 0.24841148855941 0.66666666666667 132.905 > 10 13 Cs 0.02319582075766 0.74841148855941 0.16666666666667 132.905 > 13 14 Cs 0.02319582075766 0.74841148855941 0.50000000000000 132.905 > 13 15 Cs 0.02319582075766 0.74841148855941 0.83333333333333 132.905 > 13 16 Cs 0.50000000000000 0.00000000000000 0.16666666666667 132.905 > 16 17 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 16 18 Cs 0.50000000000000 0.00000000000000 0.83333333333333 132.905 > 16 19 Cu 0.78248596710718 0.76332171933398 0.00000000000000 63.546 > 19 20 Cu 0.78248596710718 0.76332171933398 0.33333333333333 63.546 > 19 21 Cu 0.78248596710718 0.76332171933398 0.66666666666667 63.546 > 19 22 Cu 0.28248596710718 0.73667828066602 0.16666666666667 63.546 > 22 23 Cu 0.28248596710718 0.73667828066602 0.50000000000000 63.546 > 22 24 Cu 0.28248596710718 0.73667828066602 0.83333333333333 63.546 > 22 25 Cu 0.21751403289282 0.23667828066602 0.00000000000000 63.546 > 25 26 Cu 0.21751403289282 0.23667828066602 0.33333333333333 63.546 > 25 27 Cu 0.21751403289282 0.23667828066602 0.66666666666667 63.546 > 25 28 Cu 0.71751403289282 0.26332171933398 0.16666666666667 63.546 > 28 29 Cu 0.71751403289282 0.26332171933398 0.50000000000000 63.546 > 28 30 Cu 0.71751403289282 0.26332171933398 0.83333333333333 63.546 > 28 31 Bi 0.71267570173514 0.41073090994912 0.00000000000000 208.980 > 31 32 Bi 0.71267570173514 0.41073090994912 0.33333333333333 208.980 > 31 33 Bi 0.71267570173514 0.41073090994912 0.66666666666667 208.980 > 31 34 Bi 0.24426842994996 0.39003468290105 0.16666666666667 208.980 > 34 35 Bi 0.24426842994996 0.39003468290105 0.50000000000000 208.980 > 34 36 Bi 0.24426842994996 0.39003468290105 0.83333333333333 208.980 > 34 37 Bi 0.28732429826486 0.58926909005088 0.00000000000000 208.980 > 37 38 Bi 0.28732429826486 0.58926909005088 0.33333333333333 208.980 > 37 39 Bi 0.28732429826486 0.58926909005088 0.66666666666667 208.980 > 37 40 Bi 0.75573157005004 0.60996531709895 0.16666666666667 208.980 > 40 41 Bi 0.75573157005004 0.60996531709895 0.50000000000000 208.980 > 40 42 Bi 0.75573157005004 0.60996531709895 0.83333333333333 208.980 > 40 43 Bi 0.25573157005004 0.89003468290105 0.00000000000000 208.980 > 43 44 Bi 0.25573157005004 0.89003468290105 0.33333333333333 208.980 > 43 45 Bi 0.25573157005004 0.89003468290105 0.66666666666667 208.980 > 43 46 Bi 0.21267570173514 0.08926909005088 0.16666666666667 208.980 > 46 47 Bi 0.21267570173514 0.08926909005088 0.50000000000000 208.980 > 46 48 Bi 0.21267570173514 0.08926909005088 0.83333333333333 208.980 > 46 49 Bi 0.78732429826486 0.91073090994912 0.16666666666667 208.980 > 49 50 Bi 0.78732429826486 0.91073090994912 0.50000000000000 208.980 > 49 51 Bi 0.78732429826486 0.91073090994912 0.83333333333333 208.980 > 49 52 Bi 0.74426842994996 0.10996531709895 0.00000000000000 208.980 > 52 53 Bi 0.74426842994996 0.10996531709895 0.33333333333333 208.980 > 52 54 Bi 0.74426842994996 0.10996531709895 0.66666666666667 208.980 > 52 55 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 55 56 Bi 0.00000000000000 0.00000000000000 0.33333333333333 208.980 > 55 57 Bi 0.00000000000000 0.00000000000000 0.66666666666667 208.980 > 55 58 Bi 0.50000000000000 0.50000000000000 0.16666666666667 208.980 > 58 59 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 58 60 Bi 0.50000000000000 0.50000000000000 0.83333333333333 208.980 > 58 61 S 0.36432623979711 0.84738652812959 0.16666666666667 32.065 > 61 62 S 0.36432623979711 0.84738652812959 0.50000000000000 32.065 > 61 63 S 0.36432623979711 0.84738652812959 0.83333333333333 32.065 > 61 64 S 0.59629729092475 0.36420628730729 0.16666666666667 32.065 > 64 65 S 0.59629729092475 0.36420628730729 0.50000000000000 32.065 > 64 66 S 0.59629729092475 0.36420628730729 0.83333333333333 32.065 > 64 67 S 0.38334956453462 0.44356347009538 0.00000000000000 32.065 > 67 68 S 0.38334956453462 0.44356347009538 0.33333333333333 32.065 > 67 69 S 0.38334956453462 0.44356347009538 0.66666666666667 32.065 > 67 70 S 0.86432623979711 0.65261347187041 0.00000000000000 32.065 > 70 71 S 0.86432623979711 0.65261347187041 0.33333333333333 32.065 > 70 72 S 0.86432623979711 0.65261347187041 0.66666666666667 32.065 > 70 73 S 0.82279930361699 0.47213926436213 0.16666666666667 32.065 > 73 74 S 0.82279930361699 0.47213926436213 0.50000000000000 32.065 > 73 75 S 0.82279930361699 0.47213926436213 0.83333333333333 32.065 > 73 76 S 0.40370270907525 0.63579371269271 0.16666666666667 32.065 > 76 77 S 0.40370270907525 0.63579371269271 0.50000000000000 32.065 > 76 78 S 0.40370270907525 0.63579371269271 0.83333333333333 32.065 > 76 79 S 0.90370270907525 0.86420628730729 0.00000000000000 32.065 > 79 80 S 0.90370270907525 0.86420628730729 0.33333333333333 32.065 > 79 81 S 0.90370270907525 0.86420628730729 0.66666666666667 32.065 > 79 82 S 0.79302409069779 0.27599613881892 0.00000000000000 32.065 > 82 83 S 0.79302409069779 0.27599613881892 0.33333333333333 32.065 > 82 84 S 0.79302409069779 0.27599613881892 0.66666666666667 32.065 > 82 85 S 0.09629729092475 0.13579371269270 0.00000000000000 32.065 > 85 86 S 0.09629729092475 0.13579371269270 0.33333333333333 32.065 > 85 87 S 0.09629729092475 0.13579371269270 0.66666666666667 32.065 > 85 88 S 0.70697590930221 0.77599613881892 0.16666666666667 32.065 > 88 89 S 0.70697590930221 0.77599613881892 0.50000000000000 32.065 > 88 90 S 0.70697590930221 0.77599613881892 0.83333333333333 32.065 > 88 91 S 0.11665043546538 0.94356347009538 0.16666666666667 32.065 > 91 92 S 0.11665043546538 0.94356347009538 0.50000000000000 32.065 > 91 93 S 0.11665043546538 0.94356347009538 0.83333333333333 32.065 > 91 94 S 0.29302409069779 0.22400386118108 0.16666666666667 32.065 > 94 95 S 0.29302409069779 0.22400386118108 0.50000000000000 32.065 > 94 96 S 0.29302409069779 0.22400386118108 0.83333333333333 32.065 > 94 97 S 0.20697590930221 0.72400386118108 0.00000000000000 32.065 > 97 98 S 0.20697590930221 0.72400386118108 0.33333333333333 32.065 > 97 99 S 0.20697590930221 0.72400386118108 0.66666666666667 32.065 > 97 100 S 0.32279930361699 0.02786073563787 0.00000000000000 32.065 > 100 101 S 0.32279930361699 0.02786073563787 0.33333333333333 32.065 > 100 102 S 0.32279930361699 0.02786073563787 0.66666666666667 32.065 > 100 103 S 0.67720069638301 0.97213926436214 0.00000000000000 32.065 > 103 104 S 0.67720069638301 0.97213926436214 0.33333333333333 32.065 > 103 105 S 0.67720069638301 0.97213926436214 0.66666666666667 32.065 > 103 106 S 0.88334956453462 0.05643652990462 0.16666666666667 32.065 > 106 107 S 0.88334956453462 0.05643652990462 0.50000000000000 32.065 > 106 108 S 0.88334956453462 0.05643652990462 0.83333333333333 32.065 > 106 109 S 0.63567376020289 0.15261347187041 0.16666666666667 32.065 > 109 110 S 0.63567376020289 0.15261347187041 0.50000000000000 32.065 > 109 111 S 0.63567376020289 0.15261347187041 0.83333333333333 32.065 > 109 112 S 0.13567376020289 0.34738652812959 0.00000000000000 32.065 > 112 113 S 0.13567376020289 0.34738652812959 0.33333333333333 32.065 > 112 114 S 0.13567376020289 0.34738652812959 0.66666666666667 32.065 > 112 115 S 0.17720069638301 0.52786073563786 0.16666666666667 32.065 > 115 116 S 0.17720069638301 0.52786073563786 0.50000000000000 32.065 > 115 117 S 0.17720069638301 0.52786073563786 0.83333333333333 32.065 > 115 118 S 0.61665043546538 0.55643652990462 0.00000000000000 32.065 > 118 119 S 0.61665043546538 0.55643652990462 0.33333333333333 32.065 > 118 120 S 0.61665043546538 0.55643652990462 0.66666666666667 32.065 > 118----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 7.9573734 0.0000000 0.0000000 0.0000000 11.0513824 0.0000000 0.0000000 0.0000000 11.1148123-------------------------- Born effective charges -------------------------- 1 Cs 2.6820532 -0.4912156 0.0000000 -0.4336995 0.9682503 0.0000000 0.0000000 0.0000000 0.9653836 2 Cs 2.0243080 0.0542937 0.0000000 0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 3 Cs 2.0243080 -0.0542937 0.0000000 -0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 4 Cs 2.0243080 0.0542937 0.0000000 0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 5 Cs 2.0243080 -0.0542937 0.0000000 -0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 6 Cs 2.6820532 0.4912156 0.0000000 0.4336995 0.9682503 0.0000000 0.0000000 0.0000000 0.9653836 7 Cu 0.4259718 0.2587139 0.0000000 0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 8 Cu 0.4259718 -0.2587139 0.0000000 -0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 9 Cu 0.4259718 0.2587139 0.0000000 0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 10 Cu 0.4259718 -0.2587139 0.0000000 -0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 11 Bi 3.0876584 -0.6689758 0.0000000 -0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 12 Bi 2.3852668 1.7396489 0.0000000 0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 13 Bi 3.0876584 -0.6689758 0.0000000 -0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 14 Bi 2.3852668 1.7396489 0.0000000 0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 15 Bi 2.3852668 -1.7396489 0.0000000 -0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 16 Bi 3.0876584 0.6689758 0.0000000 0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 17 Bi 3.0876584 0.6689758 0.0000000 0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 18 Bi 2.3852668 -1.7396489 0.0000000 -0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 19 Bi 5.8366362 1.6707434 0.0000000 0.9490375 3.6697310 0.0000000 0.0000000 0.0000000 6.6556509 20 Bi 5.8366362 -1.6707434 0.0000000 -0.9490375 3.6697310 0.0000000 0.0000000 0.0000000 6.6556509 21 S -2.1948871 0.6204581 0.0000000 0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 22 S -2.6847659 1.0143915 0.0000000 0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 23 S -3.4893860 -0.5657958 0.0000000 -0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 24 S -2.1948871 -0.6204581 0.0000000 -0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 25 S -1.8942662 -0.6835244 0.0000000 0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 26 S -2.6847659 1.0143915 0.0000000 0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 27 S -2.6847659 -1.0143915 0.0000000 -0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 28 S -1.9192444 1.4949656 0.0000000 1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 29 S -2.6847659 -1.0143915 0.0000000 -0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 30 S -1.9192444 -1.4949656 0.0000000 -1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 31 S -3.4893860 0.5657958 0.0000000 0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 32 S -1.9192444 -1.4949656 0.0000000 -1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 33 S -1.9192444 1.4949656 0.0000000 1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 34 S -1.8942662 0.6835244 0.0000000 -0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 35 S -1.8942662 0.6835244 0.0000000 -0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 36 S -3.4893860 0.5657958 0.0000000 0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 37 S -2.1948871 0.6204581 0.0000000 0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 38 S -2.1948871 -0.6204581 0.0000000 -0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 39 S -1.8942662 -0.6835244 0.0000000 0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 40 S -3.4893860 -0.5657958 0.0000000 -0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110----------------------------------------------------------------------------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[ 4, 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[ 19, 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[ 34, 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[ 55, 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[ 61, 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[ 64, 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[ 67, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 73, 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[ 82, 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 (xzz) 0.00000000 (xzz) 0.00000000 (xzz)fc3 was written into "fc3.hdf5".Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:29:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 21:29:50]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [1 1 3]Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.]Spacegroup: Pnnm (58)------------------------------ primitive cell ------------------------------Lattice vectors: a 14.912083770000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.815905820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.038734610000000Atomic positions (fractional): 1 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 2 Cs 0.52319582075766 0.75158851144059 0.00000000000000 132.905 3 Cs 0.97680417924234 0.25158851144059 0.50000000000000 132.905 4 Cs 0.47680417924234 0.24841148855941 0.00000000000000 132.905 5 Cs 0.02319582075766 0.74841148855941 0.50000000000000 132.905 6 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 7 Cu 0.78248596710718 0.76332171933398 0.00000000000000 63.546 8 Cu 0.28248596710718 0.73667828066602 0.50000000000000 63.546 9 Cu 0.21751403289282 0.23667828066602 0.00000000000000 63.546 10 Cu 0.71751403289282 0.26332171933398 0.50000000000000 63.546 11 Bi 0.71267570173514 0.41073090994912 0.00000000000000 208.980 12 Bi 0.24426842994996 0.39003468290105 0.50000000000000 208.980 13 Bi 0.28732429826486 0.58926909005088 0.00000000000000 208.980 14 Bi 0.75573157005004 0.60996531709895 0.50000000000000 208.980 15 Bi 0.25573157005004 0.89003468290105 0.00000000000000 208.980 16 Bi 0.21267570173514 0.08926909005088 0.50000000000000 208.980 17 Bi 0.78732429826486 0.91073090994912 0.50000000000000 208.980 18 Bi 0.74426842994996 0.10996531709895 0.00000000000000 208.980 19 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 20 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 21 S 0.36432623979711 0.84738652812959 0.50000000000000 32.065 22 S 0.59629729092475 0.36420628730729 0.50000000000000 32.065 23 S 0.38334956453462 0.44356347009538 0.00000000000000 32.065 24 S 0.86432623979711 0.65261347187041 0.00000000000000 32.065 25 S 0.82279930361699 0.47213926436213 0.50000000000000 32.065 26 S 0.40370270907525 0.63579371269271 0.50000000000000 32.065 27 S 0.90370270907525 0.86420628730729 0.00000000000000 32.065 28 S 0.79302409069779 0.27599613881892 0.00000000000000 32.065 29 S 0.09629729092475 0.13579371269270 0.00000000000000 32.065 30 S 0.70697590930221 0.77599613881892 0.50000000000000 32.065 31 S 0.11665043546538 0.94356347009538 0.50000000000000 32.065 32 S 0.29302409069779 0.22400386118108 0.50000000000000 32.065 33 S 0.20697590930221 0.72400386118108 0.00000000000000 32.065 34 S 0.32279930361699 0.02786073563787 0.00000000000000 32.065 35 S 0.67720069638301 0.97213926436214 0.00000000000000 32.065 36 S 0.88334956453462 0.05643652990462 0.50000000000000 32.065 37 S 0.63567376020289 0.15261347187041 0.50000000000000 32.065 38 S 0.13567376020289 0.34738652812959 0.00000000000000 32.065 39 S 0.17720069638301 0.52786073563786 0.50000000000000 32.065 40 S 0.61665043546538 0.55643652990462 0.00000000000000 32.065-------------------------------- supercell ---------------------------------Lattice vectors: a 14.912083770000001 0.000000000000000 0.000000000000000 b 0.000000000000000 17.815905820000001 0.000000000000000 c 0.000000000000000 0.000000000000000 12.116203830000000Atomic positions (fractional): 1 Cs 0.00000000000000 0.50000000000000 0.00000000000000 132.905 > 1 2 Cs 0.00000000000000 0.50000000000000 0.33333333333333 132.905 > 1 3 Cs 0.00000000000000 0.50000000000000 0.66666666666667 132.905 > 1 4 Cs 0.52319582075766 0.75158851144059 0.00000000000000 132.905 > 4 5 Cs 0.52319582075766 0.75158851144059 0.33333333333333 132.905 > 4 6 Cs 0.52319582075766 0.75158851144059 0.66666666666667 132.905 > 4 7 Cs 0.97680417924234 0.25158851144059 0.16666666666667 132.905 > 7 8 Cs 0.97680417924234 0.25158851144059 0.50000000000000 132.905 > 7 9 Cs 0.97680417924234 0.25158851144059 0.83333333333333 132.905 > 7 10 Cs 0.47680417924234 0.24841148855941 0.00000000000000 132.905 > 10 11 Cs 0.47680417924234 0.24841148855941 0.33333333333333 132.905 > 10 12 Cs 0.47680417924234 0.24841148855941 0.66666666666667 132.905 > 10 13 Cs 0.02319582075766 0.74841148855941 0.16666666666667 132.905 > 13 14 Cs 0.02319582075766 0.74841148855941 0.50000000000000 132.905 > 13 15 Cs 0.02319582075766 0.74841148855941 0.83333333333333 132.905 > 13 16 Cs 0.50000000000000 0.00000000000000 0.16666666666667 132.905 > 16 17 Cs 0.50000000000000 0.00000000000000 0.50000000000000 132.905 > 16 18 Cs 0.50000000000000 0.00000000000000 0.83333333333333 132.905 > 16 19 Cu 0.78248596710718 0.76332171933398 0.00000000000000 63.546 > 19 20 Cu 0.78248596710718 0.76332171933398 0.33333333333333 63.546 > 19 21 Cu 0.78248596710718 0.76332171933398 0.66666666666667 63.546 > 19 22 Cu 0.28248596710718 0.73667828066602 0.16666666666667 63.546 > 22 23 Cu 0.28248596710718 0.73667828066602 0.50000000000000 63.546 > 22 24 Cu 0.28248596710718 0.73667828066602 0.83333333333333 63.546 > 22 25 Cu 0.21751403289282 0.23667828066602 0.00000000000000 63.546 > 25 26 Cu 0.21751403289282 0.23667828066602 0.33333333333333 63.546 > 25 27 Cu 0.21751403289282 0.23667828066602 0.66666666666667 63.546 > 25 28 Cu 0.71751403289282 0.26332171933398 0.16666666666667 63.546 > 28 29 Cu 0.71751403289282 0.26332171933398 0.50000000000000 63.546 > 28 30 Cu 0.71751403289282 0.26332171933398 0.83333333333333 63.546 > 28 31 Bi 0.71267570173514 0.41073090994912 0.00000000000000 208.980 > 31 32 Bi 0.71267570173514 0.41073090994912 0.33333333333333 208.980 > 31 33 Bi 0.71267570173514 0.41073090994912 0.66666666666667 208.980 > 31 34 Bi 0.24426842994996 0.39003468290105 0.16666666666667 208.980 > 34 35 Bi 0.24426842994996 0.39003468290105 0.50000000000000 208.980 > 34 36 Bi 0.24426842994996 0.39003468290105 0.83333333333333 208.980 > 34 37 Bi 0.28732429826486 0.58926909005088 0.00000000000000 208.980 > 37 38 Bi 0.28732429826486 0.58926909005088 0.33333333333333 208.980 > 37 39 Bi 0.28732429826486 0.58926909005088 0.66666666666667 208.980 > 37 40 Bi 0.75573157005004 0.60996531709895 0.16666666666667 208.980 > 40 41 Bi 0.75573157005004 0.60996531709895 0.50000000000000 208.980 > 40 42 Bi 0.75573157005004 0.60996531709895 0.83333333333333 208.980 > 40 43 Bi 0.25573157005004 0.89003468290105 0.00000000000000 208.980 > 43 44 Bi 0.25573157005004 0.89003468290105 0.33333333333333 208.980 > 43 45 Bi 0.25573157005004 0.89003468290105 0.66666666666667 208.980 > 43 46 Bi 0.21267570173514 0.08926909005088 0.16666666666667 208.980 > 46 47 Bi 0.21267570173514 0.08926909005088 0.50000000000000 208.980 > 46 48 Bi 0.21267570173514 0.08926909005088 0.83333333333333 208.980 > 46 49 Bi 0.78732429826486 0.91073090994912 0.16666666666667 208.980 > 49 50 Bi 0.78732429826486 0.91073090994912 0.50000000000000 208.980 > 49 51 Bi 0.78732429826486 0.91073090994912 0.83333333333333 208.980 > 49 52 Bi 0.74426842994996 0.10996531709895 0.00000000000000 208.980 > 52 53 Bi 0.74426842994996 0.10996531709895 0.33333333333333 208.980 > 52 54 Bi 0.74426842994996 0.10996531709895 0.66666666666667 208.980 > 52 55 Bi 0.00000000000000 0.00000000000000 0.00000000000000 208.980 > 55 56 Bi 0.00000000000000 0.00000000000000 0.33333333333333 208.980 > 55 57 Bi 0.00000000000000 0.00000000000000 0.66666666666667 208.980 > 55 58 Bi 0.50000000000000 0.50000000000000 0.16666666666667 208.980 > 58 59 Bi 0.50000000000000 0.50000000000000 0.50000000000000 208.980 > 58 60 Bi 0.50000000000000 0.50000000000000 0.83333333333333 208.980 > 58 61 S 0.36432623979711 0.84738652812959 0.16666666666667 32.065 > 61 62 S 0.36432623979711 0.84738652812959 0.50000000000000 32.065 > 61 63 S 0.36432623979711 0.84738652812959 0.83333333333333 32.065 > 61 64 S 0.59629729092475 0.36420628730729 0.16666666666667 32.065 > 64 65 S 0.59629729092475 0.36420628730729 0.50000000000000 32.065 > 64 66 S 0.59629729092475 0.36420628730729 0.83333333333333 32.065 > 64 67 S 0.38334956453462 0.44356347009538 0.00000000000000 32.065 > 67 68 S 0.38334956453462 0.44356347009538 0.33333333333333 32.065 > 67 69 S 0.38334956453462 0.44356347009538 0.66666666666667 32.065 > 67 70 S 0.86432623979711 0.65261347187041 0.00000000000000 32.065 > 70 71 S 0.86432623979711 0.65261347187041 0.33333333333333 32.065 > 70 72 S 0.86432623979711 0.65261347187041 0.66666666666667 32.065 > 70 73 S 0.82279930361699 0.47213926436213 0.16666666666667 32.065 > 73 74 S 0.82279930361699 0.47213926436213 0.50000000000000 32.065 > 73 75 S 0.82279930361699 0.47213926436213 0.83333333333333 32.065 > 73 76 S 0.40370270907525 0.63579371269271 0.16666666666667 32.065 > 76 77 S 0.40370270907525 0.63579371269271 0.50000000000000 32.065 > 76 78 S 0.40370270907525 0.63579371269271 0.83333333333333 32.065 > 76 79 S 0.90370270907525 0.86420628730729 0.00000000000000 32.065 > 79 80 S 0.90370270907525 0.86420628730729 0.33333333333333 32.065 > 79 81 S 0.90370270907525 0.86420628730729 0.66666666666667 32.065 > 79 82 S 0.79302409069779 0.27599613881892 0.00000000000000 32.065 > 82 83 S 0.79302409069779 0.27599613881892 0.33333333333333 32.065 > 82 84 S 0.79302409069779 0.27599613881892 0.66666666666667 32.065 > 82 85 S 0.09629729092475 0.13579371269270 0.00000000000000 32.065 > 85 86 S 0.09629729092475 0.13579371269270 0.33333333333333 32.065 > 85 87 S 0.09629729092475 0.13579371269270 0.66666666666667 32.065 > 85 88 S 0.70697590930221 0.77599613881892 0.16666666666667 32.065 > 88 89 S 0.70697590930221 0.77599613881892 0.50000000000000 32.065 > 88 90 S 0.70697590930221 0.77599613881892 0.83333333333333 32.065 > 88 91 S 0.11665043546538 0.94356347009538 0.16666666666667 32.065 > 91 92 S 0.11665043546538 0.94356347009538 0.50000000000000 32.065 > 91 93 S 0.11665043546538 0.94356347009538 0.83333333333333 32.065 > 91 94 S 0.29302409069779 0.22400386118108 0.16666666666667 32.065 > 94 95 S 0.29302409069779 0.22400386118108 0.50000000000000 32.065 > 94 96 S 0.29302409069779 0.22400386118108 0.83333333333333 32.065 > 94 97 S 0.20697590930221 0.72400386118108 0.00000000000000 32.065 > 97 98 S 0.20697590930221 0.72400386118108 0.33333333333333 32.065 > 97 99 S 0.20697590930221 0.72400386118108 0.66666666666667 32.065 > 97 100 S 0.32279930361699 0.02786073563787 0.00000000000000 32.065 > 100 101 S 0.32279930361699 0.02786073563787 0.33333333333333 32.065 > 100 102 S 0.32279930361699 0.02786073563787 0.66666666666667 32.065 > 100 103 S 0.67720069638301 0.97213926436214 0.00000000000000 32.065 > 103 104 S 0.67720069638301 0.97213926436214 0.33333333333333 32.065 > 103 105 S 0.67720069638301 0.97213926436214 0.66666666666667 32.065 > 103 106 S 0.88334956453462 0.05643652990462 0.16666666666667 32.065 > 106 107 S 0.88334956453462 0.05643652990462 0.50000000000000 32.065 > 106 108 S 0.88334956453462 0.05643652990462 0.83333333333333 32.065 > 106 109 S 0.63567376020289 0.15261347187041 0.16666666666667 32.065 > 109 110 S 0.63567376020289 0.15261347187041 0.50000000000000 32.065 > 109 111 S 0.63567376020289 0.15261347187041 0.83333333333333 32.065 > 109 112 S 0.13567376020289 0.34738652812959 0.00000000000000 32.065 > 112 113 S 0.13567376020289 0.34738652812959 0.33333333333333 32.065 > 112 114 S 0.13567376020289 0.34738652812959 0.66666666666667 32.065 > 112 115 S 0.17720069638301 0.52786073563786 0.16666666666667 32.065 > 115 116 S 0.17720069638301 0.52786073563786 0.50000000000000 32.065 > 115 117 S 0.17720069638301 0.52786073563786 0.83333333333333 32.065 > 115 118 S 0.61665043546538 0.55643652990462 0.00000000000000 32.065 > 118 119 S 0.61665043546538 0.55643652990462 0.33333333333333 32.065 > 118 120 S 0.61665043546538 0.55643652990462 0.66666666666667 32.065 > 118----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 7.9573734 0.0000000 0.0000000 0.0000000 11.0513824 0.0000000 0.0000000 0.0000000 11.1148123-------------------------- Born effective charges -------------------------- 1 Cs 2.6820532 -0.4912156 0.0000000 -0.4336995 0.9682503 0.0000000 0.0000000 0.0000000 0.9653836 2 Cs 2.0243080 0.0542937 0.0000000 0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 3 Cs 2.0243080 -0.0542937 0.0000000 -0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 4 Cs 2.0243080 0.0542937 0.0000000 0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 5 Cs 2.0243080 -0.0542937 0.0000000 -0.5099434 1.5526645 0.0000000 0.0000000 0.0000000 1.1379013 6 Cs 2.6820532 0.4912156 0.0000000 0.4336995 0.9682503 0.0000000 0.0000000 0.0000000 0.9653836 7 Cu 0.4259718 0.2587139 0.0000000 0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 8 Cu 0.4259718 -0.2587139 0.0000000 -0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 9 Cu 0.4259718 0.2587139 0.0000000 0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 10 Cu 0.4259718 -0.2587139 0.0000000 -0.1663744 0.6553982 0.0000000 0.0000000 0.0000000 0.9811214 11 Bi 3.0876584 -0.6689758 0.0000000 -0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 12 Bi 2.3852668 1.7396489 0.0000000 0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 13 Bi 3.0876584 -0.6689758 0.0000000 -0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 14 Bi 2.3852668 1.7396489 0.0000000 0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 15 Bi 2.3852668 -1.7396489 0.0000000 -0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 16 Bi 3.0876584 0.6689758 0.0000000 0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 17 Bi 3.0876584 0.6689758 0.0000000 0.3932044 4.5752269 0.0000000 0.0000000 0.0000000 6.1641804 18 Bi 2.3852668 -1.7396489 0.0000000 -0.6240668 6.3791866 0.0000000 0.0000000 0.0000000 6.1305027 19 Bi 5.8366362 1.6707434 0.0000000 0.9490375 3.6697310 0.0000000 0.0000000 0.0000000 6.6556509 20 Bi 5.8366362 -1.6707434 0.0000000 -0.9490375 3.6697310 0.0000000 0.0000000 0.0000000 6.6556509 21 S -2.1948871 0.6204581 0.0000000 0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 22 S -2.6847659 1.0143915 0.0000000 0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 23 S -3.4893860 -0.5657958 0.0000000 -0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 24 S -2.1948871 -0.6204581 0.0000000 -0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 25 S -1.8942662 -0.6835244 0.0000000 0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 26 S -2.6847659 1.0143915 0.0000000 0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 27 S -2.6847659 -1.0143915 0.0000000 -0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 28 S -1.9192444 1.4949656 0.0000000 1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 29 S -2.6847659 -1.0143915 0.0000000 -0.7388377 -2.3257778 0.0000000 0.0000000 0.0000000 -3.5046592 30 S -1.9192444 -1.4949656 0.0000000 -1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 31 S -3.4893860 0.5657958 0.0000000 0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 32 S -1.9192444 -1.4949656 0.0000000 -1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 33 S -1.9192444 1.4949656 0.0000000 1.3094031 -5.1213602 0.0000000 0.0000000 0.0000000 -2.0097368 34 S -1.8942662 0.6835244 0.0000000 -0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 35 S -1.8942662 0.6835244 0.0000000 -0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 36 S -3.4893860 0.5657958 0.0000000 0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110 37 S -2.1948871 0.6204581 0.0000000 0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 38 S -2.1948871 -0.6204581 0.0000000 -0.4585396 -1.7152873 0.0000000 0.0000000 0.0000000 -4.6604944 39 S -1.8942662 -0.6835244 0.0000000 0.1720197 -3.6286517 0.0000000 0.0000000 0.0000000 -3.2520214 40 S -3.4893860 -0.5657958 0.0000000 -0.7222562 -2.6903899 0.0000000 0.0000000 0.0000000 -4.7973110----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: 0.00000000 (xzz) 0.00000000 (xzz) 0.00000000 (xzz)Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... [ 3 3 12 ]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: 0.41, Number of G-points: 313, Lambda: 0.13Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/28) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.486 ( 0.000 0.000 0.000) 0.000 0.682 ( 0.000 0.000 0.000) 0.000 0.715 ( 0.000 0.000 0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 1.024 ( 0.000 0.000 0.000) 0.000 1.028 ( 0.000 0.000 0.000) 0.000 1.036 ( 0.000 0.000 0.000) 0.000 1.066 ( 0.000 0.000 0.000) 0.000 1.100 ( 0.000 0.000 0.000) 0.000 1.131 ( 0.000 0.000 0.000) 0.000 1.163 ( 0.000 0.000 0.000) 0.000 1.163 ( 0.000 0.000 0.000) 0.000 1.213 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.301 ( 0.000 0.000 0.000) 0.000 1.308 ( 0.000 0.000 0.000) 0.000 1.309 ( 0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.354 ( 0.000 0.000 0.000) 0.000 1.370 ( 0.000 0.000 0.000) 0.000 1.456 ( 0.000 0.000 0.000) 0.000 1.460 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.470 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.570 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.658 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.797 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.809 ( 0.000 0.000 0.000) 0.000 1.814 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.260 ( 0.000 0.000 0.000) 0.000 2.353 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.470 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.601 ( 0.000 0.000 0.000) 0.000 2.637 ( 0.000 0.000 0.000) 0.000 2.702 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.969 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.012 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.574 ( 0.000 0.000 0.000) 0.000 4.614 ( 0.000 0.000 0.000) 0.000 4.621 ( 0.000 0.000 0.000) 0.000 4.622 ( 0.000 0.000 0.000) 0.000 4.651 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.076 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.263 ( 0.000 0.000 0.000) 0.000 5.274 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 0.000) 0.000 5.482 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.100 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.339 ( 0.000 0.000 0.000) 0.000 6.358 ( 0.000 0.000 0.000) 0.000 6.423 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.632 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 6.915 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 6.960 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.109 ( 0.000 0.000 0.000) 0.000 7.240 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.317 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.364 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.491 ( 0.000 0.000 0.000) 0.000 7.593 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.781 ( 0.000 0.000 0.000) 0.000 7.799 ( 0.000 0.000 0.000) 0.000 7.843 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.039 ( 0.000 0.000 0.000) 0.000 8.083 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.399 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/28) =======================q-point: ( 0.33 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.342 ( 13.486 0.000 0.000) 13.486 0.453 ( 18.197 0.000 0.000) 18.197 0.576 ( -4.965 0.000 0.000) 4.965 0.685 ( 24.641 0.000 0.000) 24.641 0.718 ( 15.428 0.000 0.000) 15.428 0.718 ( -1.034 0.000 0.000) 1.034 0.890 ( -4.669 0.000 0.000) 4.669 0.893 ( -4.453 0.000 0.000) 4.453 0.929 ( -9.033 0.000 0.000) 9.033 0.954 ( -5.539 0.000 0.000) 5.539 1.073 ( 1.279 0.000 0.000) 1.279 1.084 ( -8.425 0.000 0.000) 8.425 1.117 ( -2.523 0.000 0.000) 2.523 1.173 ( 2.010 0.000 0.000) 2.010 1.184 ( 1.386 0.000 0.000) 1.386 1.200 ( 3.858 0.000 0.000) 3.858 1.217 ( -1.367 0.000 0.000) 1.367 1.223 ( -10.334 0.000 0.000) 10.334 1.246 ( -3.674 0.000 0.000) 3.674 1.286 ( 1.625 0.000 0.000) 1.625 1.330 ( -1.775 0.000 0.000) 1.775 1.341 ( -7.532 0.000 0.000) 7.532 1.400 ( 2.275 0.000 0.000) 2.275 1.441 ( 3.825 0.000 0.000) 3.825 1.442 ( -1.404 0.000 0.000) 1.404 1.500 ( 1.701 0.000 0.000) 1.701 1.517 ( 3.154 0.000 0.000) 3.154 1.519 ( 1.563 0.000 0.000) 1.563 1.519 ( 4.084 0.000 0.000) 4.084 1.585 ( -2.629 0.000 0.000) 2.629 1.587 ( -2.399 0.000 0.000) 2.399 1.602 ( -2.595 0.000 0.000) 2.595 1.633 ( 0.319 0.000 0.000) 0.319 1.646 ( 1.121 0.000 0.000) 1.121 1.659 ( 2.643 0.000 0.000) 2.643 1.754 ( -3.774 0.000 0.000) 3.774 1.798 ( 0.206 0.000 0.000) 0.206 1.799 ( 0.026 0.000 0.000) 0.026 1.811 ( 0.030 0.000 0.000) 0.030 1.812 ( -0.103 0.000 0.000) 0.103 1.844 ( 5.530 0.000 0.000) 5.530 1.892 ( 0.465 0.000 0.000) 0.465 1.914 ( -1.436 0.000 0.000) 1.436 1.929 ( -0.197 0.000 0.000) 0.197 2.040 ( 0.145 0.000 0.000) 0.145 2.092 ( -7.801 0.000 0.000) 7.801 2.215 ( -1.246 0.000 0.000) 1.246 2.258 ( -6.739 0.000 0.000) 6.739 2.416 ( 3.894 0.000 0.000) 3.894 2.459 ( -0.637 0.000 0.000) 0.637 2.511 ( 3.279 0.000 0.000) 3.279 2.526 ( 0.961 0.000 0.000) 0.961 2.597 ( 4.094 0.000 0.000) 4.094 2.629 ( 2.101 0.000 0.000) 2.101 2.708 ( 0.319 0.000 0.000) 0.319 2.710 ( 1.383 0.000 0.000) 1.383 2.776 ( 4.222 0.000 0.000) 4.222 2.860 ( 2.061 0.000 0.000) 2.061 2.899 ( -1.013 0.000 0.000) 1.013 3.030 ( -6.431 0.000 0.000) 6.431 3.033 ( 1.285 0.000 0.000) 1.285 3.034 ( 1.182 0.000 0.000) 1.182 4.230 ( 1.577 0.000 0.000) 1.577 4.262 ( -1.012 0.000 0.000) 1.012 4.376 ( 4.890 0.000 0.000) 4.890 4.501 ( -5.406 0.000 0.000) 5.406 4.611 ( -0.182 0.000 0.000) 0.182 4.617 ( -0.432 0.000 0.000) 0.432 4.622 ( 0.249 0.000 0.000) 0.249 4.634 ( -0.945 0.000 0.000) 0.945 4.693 ( 2.042 0.000 0.000) 2.042 4.757 ( -3.120 0.000 0.000) 3.120 5.057 ( -0.678 0.000 0.000) 0.678 5.077 ( -2.245 0.000 0.000) 2.245 5.247 ( -0.558 0.000 0.000) 0.558 5.253 ( -0.670 0.000 0.000) 0.670 5.460 ( 3.237 0.000 0.000) 3.237 5.539 ( -3.047 0.000 0.000) 3.047 5.693 ( 12.704 0.000 0.000) 12.704 5.762 ( 0.140 0.000 0.000) 0.140 5.789 ( -0.565 0.000 0.000) 0.565 5.983 ( -10.081 0.000 0.000) 10.081 6.121 ( 2.440 0.000 0.000) 2.440 6.132 ( 1.676 0.000 0.000) 1.676 6.324 ( -0.719 0.000 0.000) 0.719 6.325 ( 0.666 0.000 0.000) 0.666 6.336 ( -1.496 0.000 0.000) 1.496 6.365 ( -2.945 0.000 0.000) 2.945 6.459 ( 0.725 0.000 0.000) 0.725 6.471 ( -0.027 0.000 0.000) 0.027 6.496 ( 0.023 0.000 0.000) 0.023 6.505 ( -0.529 0.000 0.000) 0.529 6.592 ( 3.442 0.000 0.000) 3.442 6.633 ( -0.339 0.000 0.000) 0.339 6.878 ( -0.087 0.000 0.000) 0.087 6.897 ( -1.962 0.000 0.000) 1.962 6.956 ( 0.489 0.000 0.000) 0.489 6.985 ( -1.552 0.000 0.000) 1.552 7.152 ( 2.241 0.000 0.000) 2.241 7.198 ( -2.626 0.000 0.000) 2.626 7.273 ( 2.882 0.000 0.000) 2.882 7.275 ( 0.106 0.000 0.000) 0.106 7.277 ( -0.118 0.000 0.000) 0.118 7.319 ( 0.201 0.000 0.000) 0.201 7.324 ( -0.160 0.000 0.000) 0.160 7.326 ( 0.490 0.000 0.000) 0.490 7.326 ( 1.017 0.000 0.000) 1.017 7.352 ( -3.244 0.000 0.000) 3.244 7.423 ( 0.179 0.000 0.000) 0.179 7.456 ( -2.201 0.000 0.000) 2.201 7.647 ( 2.540 0.000 0.000) 2.540 7.678 ( -0.274 0.000 0.000) 0.274 7.773 ( 0.070 0.000 0.000) 0.070 7.813 ( -2.920 0.000 0.000) 2.920 7.850 ( 0.418 0.000 0.000) 0.418 7.856 ( -0.174 0.000 0.000) 0.174 8.074 ( 1.847 0.000 0.000) 1.847 8.091 ( 0.238 0.000 0.000) 0.238 8.417 ( 1.194 0.000 0.000) 1.194 8.436 ( -0.408 0.000 0.000) 0.408======================= Grid point 3 (3/28) =======================q-point: ( 0.00 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.274 ( 0.000 13.383 0.000) 13.383 0.305 ( 0.000 15.454 0.000) 15.454 0.465 ( 0.000 -6.167 0.000) 6.167 0.554 ( 0.000 27.891 0.000) 27.891 0.561 ( 0.000 -11.255 0.000) 11.255 0.826 ( 0.000 9.685 0.000) 9.685 0.954 ( 0.000 -10.823 0.000) 10.823 1.001 ( 0.000 1.318 0.000) 1.318 1.029 ( 0.000 -1.171 0.000) 1.171 1.042 ( 0.000 -13.046 0.000) 13.046 1.086 ( 0.000 5.747 0.000) 5.747 1.092 ( 0.000 3.127 0.000) 3.127 1.126 ( 0.000 4.114 0.000) 4.114 1.142 ( 0.000 -1.956 0.000) 1.956 1.169 ( 0.000 -3.558 0.000) 3.558 1.194 ( 0.000 3.101 0.000) 3.101 1.235 ( 0.000 -1.609 0.000) 1.609 1.237 ( 0.000 0.801 0.000) 0.801 1.276 ( 0.000 -1.173 0.000) 1.173 1.279 ( 0.000 -1.777 0.000) 1.777 1.280 ( 0.000 -3.573 0.000) 3.573 1.304 ( 0.000 -6.681 0.000) 6.681 1.318 ( 0.000 1.344 0.000) 1.344 1.390 ( 0.000 -7.815 0.000) 7.815 1.409 ( 0.000 2.360 0.000) 2.360 1.444 ( 0.000 -1.466 0.000) 1.466 1.463 ( 0.000 0.710 0.000) 0.710 1.475 ( 0.000 -0.384 0.000) 0.384 1.549 ( 0.000 -0.133 0.000) 0.133 1.559 ( 0.000 -0.680 0.000) 0.680 1.571 ( 0.000 5.277 0.000) 5.277 1.620 ( 0.000 0.395 0.000) 0.395 1.627 ( 0.000 -0.366 0.000) 0.366 1.658 ( 0.000 -1.525 0.000) 1.525 1.724 ( 0.000 0.061 0.000) 0.061 1.797 ( 0.000 -5.982 0.000) 5.982 1.799 ( 0.000 0.440 0.000) 0.440 1.803 ( 0.000 0.265 0.000) 0.265 1.807 ( 0.000 -0.299 0.000) 0.299 1.809 ( 0.000 -0.418 0.000) 0.418 1.845 ( 0.000 5.304 0.000) 5.304 1.891 ( 0.000 1.107 0.000) 1.107 1.975 ( 0.000 -1.351 0.000) 1.351 1.980 ( 0.000 -1.281 0.000) 1.281 2.116 ( 0.000 8.722 0.000) 8.722 2.226 ( 0.000 -0.736 0.000) 0.736 2.297 ( 0.000 4.522 0.000) 4.522 2.361 ( 0.000 -2.131 0.000) 2.131 2.387 ( 0.000 0.692 0.000) 0.692 2.447 ( 0.000 -2.575 0.000) 2.575 2.467 ( 0.000 -1.327 0.000) 1.327 2.476 ( 0.000 0.033 0.000) 0.033 2.543 ( 0.000 -0.766 0.000) 0.766 2.543 ( 0.000 0.279 0.000) 0.279 2.674 ( 0.000 1.590 0.000) 1.590 2.703 ( 0.000 -0.922 0.000) 0.922 2.785 ( 0.000 5.529 0.000) 5.529 2.908 ( 0.000 -4.745 0.000) 4.745 2.983 ( 0.000 0.675 0.000) 0.675 2.990 ( 0.000 -1.300 0.000) 1.300 3.010 ( 0.000 0.059 0.000) 0.059 3.011 ( 0.000 -0.071 0.000) 0.071 4.119 ( 0.000 17.858 0.000) 17.858 4.283 ( 0.000 2.713 0.000) 2.713 4.365 ( 0.000 3.963 0.000) 3.963 4.447 ( 0.000 -3.803 0.000) 3.803 4.614 ( 0.000 0.007 0.000) 0.007 4.615 ( 0.000 -0.177 0.000) 0.177 4.633 ( 0.000 0.708 0.000) 0.708 4.645 ( 0.000 -0.513 0.000) 0.513 4.660 ( 0.000 8.376 0.000) 8.376 4.916 ( 0.000 -15.048 0.000) 15.048 5.065 ( 0.000 1.643 0.000) 1.643 5.085 ( 0.000 0.907 0.000) 0.907 5.104 ( 0.000 -0.934 0.000) 0.934 5.200 ( 0.000 -12.585 0.000) 12.585 5.350 ( 0.000 4.462 0.000) 4.462 5.459 ( 0.000 -0.110 0.000) 0.110 5.518 ( 0.000 -7.826 0.000) 7.826 5.564 ( 0.000 -7.874 0.000) 7.874 5.952 ( 0.000 8.581 0.000) 8.581 6.062 ( 0.000 -2.215 0.000) 2.215 6.086 ( 0.000 0.469 0.000) 0.469 6.095 ( 0.000 -0.432 0.000) 0.432 6.343 ( 0.000 0.448 0.000) 0.448 6.353 ( 0.000 -0.469 0.000) 0.469 6.454 ( 0.000 0.406 0.000) 0.406 6.463 ( 0.000 -0.463 0.000) 0.463 6.468 ( 0.000 9.126 0.000) 9.126 6.502 ( 0.000 0.311 0.000) 0.311 6.509 ( 0.000 -0.321 0.000) 0.321 6.525 ( 0.000 -0.129 0.000) 0.129 6.634 ( 0.000 3.590 0.000) 3.590 6.642 ( 0.000 1.498 0.000) 1.498 6.728 ( 0.000 -6.524 0.000) 6.524 6.809 ( 0.000 -9.512 0.000) 9.512 7.020 ( 0.000 1.894 0.000) 1.894 7.070 ( 0.000 -3.148 0.000) 3.148 7.118 ( 0.000 9.799 0.000) 9.799 7.242 ( 0.000 -2.978 0.000) 2.978 7.284 ( 0.000 1.065 0.000) 1.065 7.291 ( 0.000 1.153 0.000) 1.153 7.306 ( 0.000 -1.039 0.000) 1.039 7.314 ( 0.000 -1.115 0.000) 1.115 7.327 ( 0.000 3.842 0.000) 3.842 7.333 ( 0.000 2.534 0.000) 2.534 7.393 ( 0.000 1.128 0.000) 1.128 7.400 ( 0.000 -2.822 0.000) 2.822 7.485 ( 0.000 -0.797 0.000) 0.797 7.501 ( 0.000 -4.770 0.000) 4.770 7.695 ( 0.000 5.745 0.000) 5.745 7.775 ( 0.000 0.016 0.000) 0.016 7.780 ( 0.000 -2.118 0.000) 2.118 7.808 ( 0.000 -3.255 0.000) 3.255 7.814 ( 0.000 1.631 0.000) 1.631 7.879 ( 0.000 -6.439 0.000) 6.439 8.143 ( 0.000 6.581 0.000) 6.581 8.248 ( 0.000 -4.075 0.000) 4.075 8.258 ( 0.000 8.127 0.000) 8.127 8.369 ( 0.000 -3.525 0.000) 3.525======================= Grid point 4 (4/28) =======================q-point: ( 0.33 0.33 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 35Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.455 ( 11.930 9.960 0.000) 15.541 0.525 ( 13.704 6.758 0.000) 15.280 0.647 ( 10.587 -8.790 0.000) 13.760 0.658 ( 5.485 -6.140 0.000) 8.233 0.698 ( -7.259 11.199 0.000) 13.346 0.819 ( 13.794 12.715 0.000) 18.760 0.866 ( -5.002 -4.477 0.000) 6.713 0.892 ( -7.300 1.183 0.000) 7.395 0.930 ( -7.146 -2.286 0.000) 7.503 0.974 ( 0.261 3.939 0.000) 3.948 1.027 ( -0.991 -4.337 0.000) 4.448 1.102 ( -4.426 -4.950 0.000) 6.640 1.106 ( 1.118 2.740 0.000) 2.959 1.137 ( -1.311 0.662 0.000) 1.469 1.173 ( 0.481 -0.018 0.000) 0.481 1.182 ( -6.205 -0.523 0.000) 6.227 1.203 ( -1.905 -1.696 0.000) 2.550 1.225 ( -2.086 1.744 0.000) 2.719 1.262 ( -1.280 -3.322 0.000) 3.560 1.291 ( 1.659 0.734 0.000) 1.814 1.313 ( 0.033 -1.400 0.000) 1.400 1.326 ( 1.679 -6.209 0.000) 6.432 1.416 ( 2.253 1.557 0.000) 2.739 1.416 ( 0.671 1.258 0.000) 1.426 1.436 ( -0.833 -0.721 0.000) 1.102 1.470 ( 1.707 0.624 0.000) 1.818 1.480 ( 1.836 -1.709 0.000) 2.508 1.517 ( 3.489 0.081 0.000) 3.489 1.519 ( 3.674 -0.079 0.000) 3.674 1.552 ( -4.714 -4.081 0.000) 6.235 1.591 ( -2.451 0.366 0.000) 2.478 1.594 ( 6.128 -0.937 0.000) 6.199 1.598 ( -2.550 -0.346 0.000) 2.573 1.606 ( 3.381 -2.582 0.000) 4.254 1.675 ( -2.484 3.554 0.000) 4.336 1.764 ( -1.191 -2.483 0.000) 2.754 1.801 ( 0.102 0.276 0.000) 0.294 1.802 ( 0.099 0.286 0.000) 0.303 1.804 ( -7.261 -0.358 0.000) 7.270 1.808 ( -0.042 -0.301 0.000) 0.304 1.809 ( -0.004 -0.279 0.000) 0.279 1.835 ( -8.137 -5.842 0.000) 10.017 1.924 ( 1.199 1.424 0.000) 1.861 1.931 ( 0.195 1.284 0.000) 1.299 2.122 ( 1.433 5.293 0.000) 5.484 2.191 ( -0.139 -2.246 0.000) 2.250 2.211 ( -4.706 6.281 0.000) 7.848 2.286 ( -6.200 -0.034 0.000) 6.200 2.457 ( 1.494 3.320 0.000) 3.641 2.474 ( -1.516 1.163 0.000) 1.911 2.492 ( 3.192 -0.508 0.000) 3.232 2.515 ( 1.252 -0.804 0.000) 1.488 2.605 ( 4.804 -0.376 0.000) 4.819 2.624 ( 4.652 -1.931 0.000) 5.037 2.711 ( 0.989 1.031 0.000) 1.429 2.714 ( 0.695 0.451 0.000) 0.828 2.801 ( 3.375 3.130 0.000) 4.603 2.857 ( 1.052 -1.530 0.000) 1.857 2.924 ( -2.924 2.621 0.000) 3.927 2.991 ( -4.630 -3.885 0.000) 6.044 3.033 ( 1.268 0.031 0.000) 1.269 3.033 ( 1.217 -0.023 0.000) 1.217 4.231 ( 3.409 3.000 0.000) 4.541 4.272 ( -1.061 1.225 0.000) 1.621 4.439 ( 5.982 5.797 0.000) 8.330 4.548 ( 7.480 -4.888 0.000) 8.935 4.583 ( -4.749 6.816 0.000) 8.308 4.612 ( -0.163 0.134 0.000) 0.211 4.615 ( -0.194 -0.178 0.000) 0.264 4.626 ( -0.236 0.290 0.000) 0.374 4.631 ( -0.742 -0.253 0.000) 0.784 4.762 ( -9.342 -8.083 0.000) 12.354 5.062 ( -1.065 0.477 0.000) 1.167 5.072 ( -1.848 -0.488 0.000) 1.912 5.171 ( 4.744 -3.261 0.000) 5.757 5.237 ( 0.679 -7.631 0.000) 7.662 5.287 ( -0.574 -1.716 0.000) 1.809 5.363 ( -5.232 -8.606 0.000) 10.072 5.671 ( 11.863 3.755 0.000) 12.443 5.766 ( 9.555 -5.385 0.000) 10.968 5.887 ( -5.653 6.867 0.000) 8.894 5.981 ( -7.383 -2.235 0.000) 7.714 6.124 ( 2.282 0.317 0.000) 2.303 6.130 ( 1.899 -0.231 0.000) 1.913 6.327 ( -0.946 0.244 0.000) 0.977 6.332 ( -1.334 -0.311 0.000) 1.369 6.418 ( -1.778 4.545 0.000) 4.881 6.449 ( -4.521 0.891 0.000) 4.608 6.463 ( 0.632 0.309 0.000) 0.703 6.469 ( 0.273 -0.254 0.000) 0.373 6.498 ( -0.225 0.161 0.000) 0.276 6.502 ( -0.482 -0.280 0.000) 0.558 6.650 ( 1.444 4.750 0.000) 4.965 6.660 ( 0.509 2.435 0.000) 2.488 6.777 ( 3.291 -2.976 0.000) 4.437 6.828 ( -0.683 -5.259 0.000) 5.303 7.040 ( 1.967 4.069 0.000) 4.519 7.093 ( 5.498 -1.306 0.000) 5.651 7.152 ( -1.104 3.495 0.000) 3.665 7.236 ( -2.561 -3.334 0.000) 4.204 7.273 ( -3.020 6.677 0.000) 7.328 7.285 ( 0.072 0.966 0.000) 0.969 7.288 ( -0.178 0.935 0.000) 0.952 7.307 ( -2.738 2.275 0.000) 3.560 7.310 ( 0.224 -0.866 0.000) 0.894 7.313 ( -0.094 -0.977 0.000) 0.982 7.354 ( -0.291 0.299 0.000) 0.417 7.384 ( -1.904 -2.006 0.000) 2.766 7.463 ( -0.967 1.320 0.000) 1.637 7.487 ( -4.002 4.108 0.000) 5.736 7.569 ( 0.558 -1.709 0.000) 1.798 7.660 ( -6.464 -4.999 0.000) 8.171 7.780 ( 1.118 1.441 0.000) 1.824 7.808 ( -1.092 0.275 0.000) 1.126 7.817 ( 0.759 -2.294 0.000) 2.417 7.831 ( -0.279 -1.777 0.000) 1.799 8.192 ( 2.532 8.671 0.000) 9.033 8.225 ( -0.513 10.133 0.000) 10.146 8.346 ( 2.628 -6.400 0.000) 6.919 8.381 ( -0.252 -5.359 0.000) 5.365======================= Grid point 9 (5/28) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.333 ( 0.000 0.000 15.743) 15.743 0.452 ( 0.000 0.000 21.513) 21.513 0.635 ( 0.000 0.000 28.113) 28.113 0.664 ( 0.000 0.000 14.903) 14.903 0.774 ( 0.000 0.000 7.375) 7.375 0.796 ( 0.000 0.000 7.923) 7.923 0.924 ( 0.000 0.000 1.153) 1.153 0.948 ( 0.000 0.000 -1.772) 1.772 1.006 ( 0.000 0.000 -2.258) 2.258 1.121 ( 0.000 0.000 3.068) 3.068 1.132 ( 0.000 0.000 4.119) 4.119 1.146 ( 0.000 0.000 3.677) 3.677 1.165 ( 0.000 0.000 -0.430) 0.430 1.182 ( 0.000 0.000 2.183) 2.183 1.228 ( 0.000 0.000 0.526) 0.526 1.236 ( 0.000 0.000 -2.891) 2.891 1.272 ( 0.000 0.000 5.897) 5.897 1.338 ( 0.000 0.000 1.213) 1.213 1.350 ( 0.000 0.000 8.196) 8.196 1.351 ( 0.000 0.000 9.877) 9.877 1.375 ( 0.000 0.000 5.599) 5.599 1.408 ( 0.000 0.000 2.773) 2.773 1.409 ( 0.000 0.000 4.505) 4.505 1.458 ( 0.000 0.000 6.129) 6.129 1.480 ( 0.000 0.000 6.499) 6.499 1.487 ( 0.000 0.000 1.276) 1.276 1.496 ( 0.000 0.000 3.468) 3.468 1.505 ( 0.000 0.000 8.095) 8.095 1.599 ( 0.000 0.000 2.365) 2.365 1.603 ( 0.000 0.000 2.964) 2.964 1.612 ( 0.000 0.000 2.396) 2.396 1.664 ( 0.000 0.000 10.776) 10.776 1.697 ( 0.000 0.000 5.168) 5.168 1.740 ( 0.000 0.000 0.488) 0.488 1.767 ( 0.000 0.000 4.588) 4.588 1.809 ( 0.000 0.000 4.730) 4.730 1.835 ( 0.000 0.000 4.605) 4.605 1.858 ( 0.000 0.000 6.702) 6.702 1.876 ( 0.000 0.000 2.183) 2.183 1.884 ( 0.000 0.000 7.295) 7.295 1.888 ( 0.000 0.000 7.769) 7.769 1.894 ( 0.000 0.000 5.344) 5.344 2.012 ( 0.000 0.000 2.449) 2.449 2.073 ( 0.000 0.000 8.170) 8.170 2.099 ( 0.000 0.000 9.138) 9.138 2.212 ( 0.000 0.000 3.194) 3.194 2.250 ( 0.000 0.000 -1.066) 1.066 2.349 ( 0.000 0.000 0.381) 0.381 2.384 ( 0.000 0.000 2.365) 2.365 2.394 ( 0.000 0.000 -0.393) 0.393 2.464 ( 0.000 0.000 -3.126) 3.126 2.468 ( 0.000 0.000 -0.136) 0.136 2.534 ( 0.000 0.000 2.988) 2.988 2.595 ( 0.000 0.000 -0.507) 0.507 2.640 ( 0.000 0.000 0.190) 0.190 2.697 ( 0.000 0.000 -0.303) 0.303 2.729 ( 0.000 0.000 -1.596) 1.596 2.826 ( 0.000 0.000 0.356) 0.356 2.904 ( 0.000 0.000 -3.011) 3.011 2.940 ( 0.000 0.000 -2.612) 2.612 3.520 ( 0.000 0.000 36.961) 36.961 3.952 ( 0.000 0.000 4.259) 4.259 4.203 ( 0.000 0.000 2.509) 2.509 4.213 ( 0.000 0.000 -4.903) 4.903 4.375 ( 0.000 0.000 16.120) 16.120 4.466 ( 0.000 0.000 -2.582) 2.582 4.513 ( 0.000 0.000 -0.562) 0.562 4.531 ( 0.000 0.000 -6.128) 6.128 4.570 ( 0.000 0.000 -10.847) 10.847 4.688 ( 0.000 0.000 -8.918) 8.918 4.836 ( 0.000 0.000 14.454) 14.454 4.851 ( 0.000 0.000 4.776) 4.776 5.046 ( 0.000 0.000 11.680) 11.680 5.239 ( 0.000 0.000 -3.320) 3.320 5.295 ( 0.000 0.000 1.530) 1.530 5.443 ( 0.000 0.000 -2.793) 2.793 5.482 ( 0.000 0.000 -20.357) 20.357 5.502 ( 0.000 0.000 12.954) 12.954 5.528 ( 0.000 0.000 -21.134) 21.134 5.744 ( 0.000 0.000 7.664) 7.664 5.812 ( 0.000 0.000 18.250) 18.250 5.854 ( 0.000 0.000 0.510) 0.510 5.994 ( 0.000 0.000 -10.553) 10.553 6.075 ( 0.000 0.000 -17.657) 17.657 6.109 ( 0.000 0.000 -18.346) 18.346 6.242 ( 0.000 0.000 -9.195) 9.195 6.276 ( 0.000 0.000 -5.945) 5.945 6.306 ( 0.000 0.000 -3.970) 3.970 6.322 ( 0.000 0.000 -12.119) 12.119 6.530 ( 0.000 0.000 5.057) 5.057 6.597 ( 0.000 0.000 4.296) 4.296 6.632 ( 0.000 0.000 -0.587) 0.587 6.661 ( 0.000 0.000 3.999) 3.999 6.817 ( 0.000 0.000 -4.959) 4.959 6.899 ( 0.000 0.000 -3.426) 3.426 6.941 ( 0.000 0.000 0.292) 0.292 6.971 ( 0.000 0.000 -2.508) 2.508 6.986 ( 0.000 0.000 4.372) 4.372 7.079 ( 0.000 0.000 -2.969) 2.969 7.181 ( 0.000 0.000 -4.763) 4.763 7.181 ( 0.000 0.000 2.511) 2.511 7.278 ( 0.000 0.000 3.421) 3.421 7.316 ( 0.000 0.000 -1.266) 1.266 7.380 ( 0.000 0.000 -1.807) 1.807 7.382 ( 0.000 0.000 8.845) 8.845 7.435 ( 0.000 0.000 6.248) 6.248 7.448 ( 0.000 0.000 6.299) 6.299 7.461 ( 0.000 0.000 1.098) 1.098 7.467 ( 0.000 0.000 -2.244) 2.244 7.552 ( 0.000 0.000 -3.376) 3.376 7.674 ( 0.000 0.000 -0.879) 0.879 7.682 ( 0.000 0.000 2.089) 2.089 7.756 ( 0.000 0.000 -4.313) 4.313 7.773 ( 0.000 0.000 4.203) 4.203 7.793 ( 0.000 0.000 -4.514) 4.514 7.796 ( 0.000 0.000 -4.648) 4.648 7.988 ( 0.000 0.000 -4.653) 4.653 8.036 ( 0.000 0.000 -4.470) 4.470 8.249 ( 0.000 0.000 -3.561) 3.561 8.322 ( 0.000 0.000 -7.016) 7.016======================= Grid point 10 (6/28) =======================q-point: ( 0.33 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.315 ( 12.131 0.000 6.031) 13.547 0.434 ( 8.047 0.000 8.476) 11.688 0.641 ( -9.400 0.000 4.861) 10.582 0.656 ( 3.868 0.000 3.293) 5.080 0.731 ( -15.936 0.000 -2.248) 16.094 0.836 ( -7.063 0.000 0.274) 7.068 0.913 ( -2.588 0.000 4.691) 5.358 0.938 ( -4.000 0.000 3.533) 5.336 1.004 ( 8.082 0.000 7.581) 11.082 1.091 ( 9.172 0.000 14.309) 16.997 1.105 ( 6.280 0.000 3.982) 7.436 1.182 ( 6.478 0.000 0.960) 6.549 1.191 ( -0.157 0.000 7.255) 7.257 1.213 ( -3.165 0.000 2.602) 4.097 1.240 ( -1.992 0.000 5.116) 5.490 1.254 ( 0.090 0.000 7.707) 7.707 1.275 ( -2.189 0.000 4.546) 5.045 1.320 ( 0.575 0.000 10.003) 10.020 1.331 ( -0.099 0.000 4.897) 4.898 1.345 ( -0.471 0.000 3.740) 3.769 1.404 ( 4.012 0.000 1.608) 4.323 1.413 ( -1.997 0.000 4.429) 4.858 1.430 ( 2.254 0.000 9.800) 10.056 1.469 ( 2.900 0.000 3.723) 4.719 1.475 ( 1.000 0.000 6.163) 6.244 1.490 ( -0.702 0.000 4.522) 4.576 1.525 ( 0.142 0.000 2.590) 2.594 1.550 ( 2.922 0.000 2.327) 3.735 1.583 ( -5.872 0.000 1.142) 5.982 1.597 ( -0.279 0.000 4.225) 4.234 1.615 ( 0.141 0.000 2.678) 2.681 1.656 ( -0.840 0.000 3.205) 3.313 1.678 ( -2.294 0.000 3.185) 3.925 1.730 ( -6.419 0.000 7.627) 9.968 1.766 ( 4.892 0.000 9.785) 10.939 1.822 ( -1.681 0.000 8.152) 8.324 1.862 ( 3.156 0.000 3.208) 4.501 1.867 ( 0.604 0.000 5.904) 5.934 1.875 ( 0.377 0.000 4.227) 4.244 1.882 ( 0.429 0.000 6.429) 6.443 1.900 ( 1.903 0.000 7.551) 7.787 1.941 ( -0.157 0.000 5.494) 5.496 1.961 ( -0.006 0.000 5.046) 5.046 1.964 ( -2.123 0.000 4.890) 5.331 2.065 ( -0.998 0.000 3.311) 3.458 2.121 ( -6.674 0.000 2.633) 7.175 2.225 ( -0.748 0.000 1.275) 1.478 2.272 ( -5.981 0.000 1.806) 6.248 2.415 ( 4.017 0.000 0.543) 4.054 2.464 ( -0.602 0.000 0.213) 0.639 2.499 ( 2.903 0.000 -0.437) 2.935 2.503 ( 1.321 0.000 -1.945) 2.351 2.578 ( 2.766 0.000 -0.783) 2.874 2.601 ( 0.731 0.000 -2.056) 2.182 2.692 ( 1.340 0.000 -1.109) 1.740 2.698 ( 0.079 0.000 -0.704) 0.709 2.757 ( 3.467 0.000 -1.577) 3.809 2.824 ( -0.731 0.000 -1.283) 1.477 2.878 ( -0.926 0.000 -1.388) 1.669 2.912 ( -2.252 0.000 -1.900) 2.947 3.560 ( 4.180 0.000 35.276) 35.522 3.743 ( -12.373 0.000 27.328) 29.999 4.188 ( -0.289 0.000 -1.517) 1.545 4.201 ( -0.961 0.000 -4.738) 4.834 4.398 ( 3.502 0.000 5.901) 6.862 4.482 ( -2.928 0.000 0.722) 3.016 4.516 ( 1.499 0.000 -2.814) 3.188 4.528 ( -0.098 0.000 -4.635) 4.636 4.578 ( 0.893 0.000 -8.779) 8.825 4.626 ( -3.627 0.000 -8.204) 8.970 4.830 ( -0.394 0.000 10.794) 10.801 4.836 ( -0.909 0.000 6.558) 6.621 5.070 ( 2.794 0.000 14.214) 14.486 5.211 ( -8.941 0.000 12.541) 15.402 5.253 ( -2.190 0.000 2.667) 3.451 5.262 ( -1.303 0.000 0.911) 1.590 5.505 ( 3.687 0.000 -7.582) 8.431 5.554 ( -0.350 0.000 -15.996) 16.000 5.563 ( 2.250 0.000 -11.078) 11.304 5.622 ( -3.523 0.000 3.218) 4.771 5.964 ( 10.114 0.000 11.165) 15.064 5.999 ( 4.636 0.000 -0.780) 4.701 6.020 ( 2.733 0.000 -10.078) 10.442 6.077 ( 0.187 0.000 -17.521) 17.522 6.099 ( -0.814 0.000 -19.172) 19.189 6.168 ( -5.652 0.000 -12.613) 13.822 6.286 ( 2.296 0.000 -1.424) 2.701 6.306 ( 0.030 0.000 -4.820) 4.821 6.309 ( -0.746 0.000 -10.399) 10.426 6.506 ( -16.482 0.000 13.288) 21.171 6.539 ( 0.033 0.000 6.144) 6.144 6.571 ( -1.825 0.000 5.278) 5.584 6.643 ( 0.430 0.000 0.041) 0.432 6.651 ( -0.434 0.000 1.260) 1.333 6.847 ( -0.562 0.000 -2.556) 2.617 6.864 ( -1.925 0.000 -3.187) 3.724 6.993 ( 0.750 0.000 1.238) 1.447 7.002 ( 0.167 0.000 -1.030) 1.043 7.159 ( 3.597 0.000 -0.578) 3.643 7.175 ( -0.159 0.000 -2.636) 2.641 7.201 ( 3.034 0.000 -1.205) 3.265 7.277 ( 0.756 0.000 1.955) 2.096 7.309 ( -1.920 0.000 0.910) 2.124 7.352 ( -7.329 0.000 7.257) 10.314 7.391 ( 0.641 0.000 7.847) 7.874 7.400 ( -0.243 0.000 -0.434) 0.497 7.418 ( -0.461 0.000 6.003) 6.021 7.428 ( -1.127 0.000 -0.144) 1.136 7.494 ( 1.242 0.000 2.710) 2.981 7.504 ( 0.803 0.000 1.093) 1.356 7.662 ( -0.180 0.000 -1.691) 1.700 7.665 ( -0.428 0.000 -1.777) 1.827 7.762 ( 0.447 0.000 -0.423) 0.616 7.790 ( -0.966 0.000 -3.641) 3.767 7.821 ( 1.453 0.000 -0.338) 1.492 7.847 ( -0.434 0.000 0.021) 0.434 8.015 ( 3.045 0.000 -5.406) 6.204 8.048 ( 0.228 0.000 -4.063) 4.069 8.320 ( 2.249 0.000 -8.404) 8.700 8.331 ( 0.511 0.000 -7.664) 7.680======================= Grid point 12 (7/28) =======================q-point: ( 0.00 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.438 ( 0.000 9.059 11.103) 14.330 0.519 ( 0.000 5.383 16.998) 17.830 0.640 ( 0.000 -2.716 15.119) 15.361 0.650 ( 0.000 -9.280 8.258) 12.423 0.826 ( 0.000 15.764 19.872) 25.366 0.842 ( 0.000 4.579 3.248) 5.614 0.922 ( 0.000 -3.730 -1.503) 4.022 0.969 ( 0.000 5.421 1.035) 5.519 1.029 ( 0.000 -1.858 3.167) 3.671 1.089 ( 0.000 -3.422 3.171) 4.666 1.142 ( 0.000 2.714 2.890) 3.964 1.179 ( 0.000 -0.187 2.337) 2.344 1.181 ( 0.000 3.557 3.266) 4.829 1.204 ( 0.000 1.103 0.909) 1.430 1.205 ( 0.000 -0.186 0.085) 0.204 1.261 ( 0.000 -1.260 1.463) 1.931 1.265 ( 0.000 -4.554 3.264) 5.603 1.286 ( 0.000 -5.366 0.991) 5.457 1.302 ( 0.000 0.555 7.990) 8.009 1.303 ( 0.000 -5.000 6.955) 8.566 1.346 ( 0.000 -1.326 7.790) 7.902 1.353 ( 0.000 -3.404 9.574) 10.161 1.408 ( 0.000 -3.795 4.898) 6.197 1.412 ( 0.000 -1.126 2.854) 3.068 1.463 ( 0.000 -0.092 2.940) 2.941 1.471 ( 0.000 1.384 5.706) 5.871 1.477 ( 0.000 -1.628 6.923) 7.111 1.511 ( 0.000 -1.964 4.026) 4.480 1.577 ( 0.000 4.698 2.432) 5.290 1.614 ( 0.000 1.105 3.674) 3.837 1.621 ( 0.000 -1.268 3.659) 3.872 1.653 ( 0.000 -1.007 4.176) 4.296 1.689 ( 0.000 -0.358 5.017) 5.030 1.709 ( 0.000 -2.793 2.692) 3.879 1.790 ( 0.000 1.050 6.107) 6.197 1.819 ( 0.000 -1.760 4.754) 5.070 1.840 ( 0.000 2.382 2.906) 3.758 1.869 ( 0.000 -0.995 3.479) 3.619 1.877 ( 0.000 1.332 7.081) 7.205 1.897 ( 0.000 0.126 7.969) 7.970 1.902 ( 0.000 1.415 5.523) 5.702 1.906 ( 0.000 0.458 6.636) 6.651 2.056 ( 0.000 1.512 6.378) 6.555 2.061 ( 0.000 -0.230 8.642) 8.645 2.124 ( 0.000 5.147 2.638) 5.784 2.222 ( 0.000 -2.342 0.039) 2.342 2.297 ( 0.000 5.247 -0.141) 5.249 2.371 ( 0.000 2.216 0.338) 2.242 2.375 ( 0.000 -0.960 1.963) 2.185 2.416 ( 0.000 0.745 -1.552) 1.722 2.458 ( 0.000 -2.580 1.101) 2.805 2.467 ( 0.000 -0.595 -2.018) 2.104 2.525 ( 0.000 -2.130 -0.024) 2.130 2.531 ( 0.000 -1.151 1.829) 2.161 2.664 ( 0.000 1.534 -0.267) 1.557 2.698 ( 0.000 -1.239 -0.263) 1.266 2.748 ( 0.000 3.410 -1.333) 3.661 2.810 ( 0.000 -2.061 -0.414) 2.102 2.924 ( 0.000 1.648 -2.960) 3.388 2.945 ( 0.000 -0.234 -2.871) 2.880 3.620 ( 0.000 11.006 38.835) 40.364 3.938 ( 0.000 -21.991 31.227) 38.194 4.142 ( 0.000 15.863 2.245) 16.021 4.278 ( 0.000 2.353 -0.286) 2.370 4.341 ( 0.000 3.918 0.367) 3.935 4.410 ( 0.000 -3.886 -2.618) 4.686 4.564 ( 0.000 3.393 -6.621) 7.440 4.612 ( 0.000 -0.324 -4.682) 4.693 4.646 ( 0.000 7.051 -4.072) 8.142 4.689 ( 0.000 1.848 -5.667) 5.961 4.818 ( 0.000 -0.210 12.464) 12.466 4.836 ( 0.000 -0.646 4.892) 4.934 4.902 ( 0.000 -9.666 10.227) 14.072 5.025 ( 0.000 -19.233 6.340) 20.251 5.314 ( 0.000 5.331 -1.967) 5.682 5.420 ( 0.000 -4.072 -8.244) 9.195 5.442 ( 0.000 -1.624 10.197) 10.325 5.498 ( 0.000 -3.855 -5.564) 6.769 5.566 ( 0.000 2.210 -11.370) 11.583 5.624 ( 0.000 -8.221 -6.533) 10.501 5.719 ( 0.000 -0.520 6.226) 6.248 5.749 ( 0.000 -3.521 11.789) 12.304 6.062 ( 0.000 4.723 -13.502) 14.305 6.107 ( 0.000 0.519 -18.725) 18.732 6.210 ( 0.000 3.708 -15.546) 15.982 6.236 ( 0.000 -0.569 -10.548) 10.563 6.270 ( 0.000 0.591 -5.894) 5.924 6.302 ( 0.000 -1.680 -10.750) 10.881 6.351 ( 0.000 4.960 1.375) 5.147 6.515 ( 0.000 -12.728 11.394) 17.083 6.591 ( 0.000 1.609 4.375) 4.661 6.599 ( 0.000 0.599 3.786) 3.834 6.645 ( 0.000 1.338 0.239) 1.359 6.691 ( 0.000 0.129 1.805) 1.809 6.751 ( 0.000 -1.769 0.025) 1.769 6.864 ( 0.000 -7.184 1.209) 7.285 6.988 ( 0.000 1.786 -2.557) 3.119 7.038 ( 0.000 -3.300 -2.772) 4.310 7.087 ( 0.000 8.264 -2.408) 8.608 7.175 ( 0.000 -1.309 -3.926) 4.139 7.277 ( 0.000 1.300 1.569) 2.038 7.288 ( 0.000 0.577 1.435) 1.547 7.346 ( 0.000 0.970 0.866) 1.301 7.355 ( 0.000 -0.920 1.975) 2.179 7.400 ( 0.000 0.056 3.577) 3.578 7.412 ( 0.000 -2.157 3.178) 3.840 7.443 ( 0.000 0.378 1.262) 1.317 7.457 ( 0.000 -0.582 -2.521) 2.587 7.522 ( 0.000 4.987 9.442) 10.678 7.581 ( 0.000 0.297 2.191) 2.211 7.687 ( 0.000 2.051 -1.070) 2.314 7.740 ( 0.000 -1.609 0.071) 1.610 7.742 ( 0.000 -0.331 -3.368) 3.384 7.753 ( 0.000 -3.485 -4.572) 5.749 7.765 ( 0.000 0.594 -4.294) 4.335 7.786 ( 0.000 -1.792 -6.012) 6.274 8.096 ( 0.000 7.194 -4.408) 8.437 8.141 ( 0.000 10.430 -7.551) 12.876 8.205 ( 0.000 -4.441 -4.103) 6.046 8.287 ( 0.000 -4.358 -7.128) 8.355======================= Grid point 13 (8/28) =======================q-point: ( 0.33 0.33 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.422 ( 6.649 9.732 6.181) 13.309 0.582 ( 7.057 4.958 3.370) 9.260 0.595 ( 4.009 0.281 6.170) 7.363 0.683 ( -10.633 1.617 1.068) 10.808 0.758 ( -6.176 0.591 2.385) 6.647 0.819 ( -8.251 -1.381 -0.864) 8.410 0.853 ( -0.217 -1.712 5.910) 6.157 0.930 ( -6.133 -1.232 3.093) 6.978 1.046 ( -1.356 3.044 3.865) 5.103 1.098 ( 5.172 0.166 4.563) 6.899 1.104 ( 1.820 -1.950 8.314) 8.732 1.150 ( 1.203 -3.235 4.058) 5.327 1.203 ( 1.899 1.397 2.981) 3.800 1.225 ( 0.600 2.971 8.904) 9.406 1.244 ( 1.029 1.038 3.723) 4.000 1.254 ( -0.266 -1.226 5.662) 5.799 1.257 ( 2.138 0.298 6.637) 6.979 1.310 ( 0.870 0.866 10.693) 10.764 1.327 ( 2.384 -0.133 4.235) 4.862 1.340 ( 4.344 -1.623 2.268) 5.163 1.372 ( 0.445 -4.480 7.116) 8.420 1.393 ( 2.691 -6.598 9.355) 11.759 1.455 ( -1.884 1.669 5.197) 5.774 1.465 ( 1.571 4.565 3.510) 5.969 1.474 ( -1.900 0.140 3.719) 4.179 1.485 ( 1.166 0.116 5.054) 5.188 1.505 ( 1.673 -0.369 4.685) 4.988 1.538 ( 2.997 0.061 2.992) 4.235 1.564 ( -0.704 -1.978 3.391) 3.988 1.568 ( -0.000 -3.523 2.083) 4.092 1.623 ( -1.444 0.897 3.307) 3.719 1.643 ( -1.666 -1.132 4.520) 4.948 1.674 ( 0.705 -0.191 3.823) 3.893 1.703 ( 1.908 -3.458 6.306) 7.441 1.768 ( -2.502 2.791 7.853) 8.702 1.814 ( 0.591 -0.991 6.227) 6.333 1.839 ( -0.910 -0.501 5.560) 5.656 1.849 ( -2.271 -2.143 5.011) 5.904 1.883 ( -0.329 1.335 7.368) 7.495 1.887 ( -0.159 0.586 6.961) 6.987 1.907 ( -2.707 0.304 7.905) 8.361 1.937 ( -7.037 -3.226 8.463) 11.470 1.947 ( -1.186 0.505 3.547) 3.774 1.948 ( 0.290 0.444 3.683) 3.721 2.134 ( 3.445 5.966 1.101) 6.977 2.192 ( 0.230 0.651 0.528) 0.869 2.229 ( -3.998 2.570 2.119) 5.203 2.287 ( -6.457 -0.209 0.644) 6.492 2.444 ( 3.157 1.710 -0.503) 3.625 2.459 ( 1.392 -0.464 -1.005) 1.779 2.481 ( 1.376 -0.973 -0.374) 1.726 2.488 ( 0.725 -0.391 -0.249) 0.861 2.595 ( 3.946 0.546 -0.976) 4.102 2.605 ( 2.889 -0.613 -0.242) 2.963 2.682 ( 0.965 0.606 -2.147) 2.431 2.696 ( -0.328 -0.806 -1.230) 1.506 2.774 ( 2.544 2.056 -1.402) 3.559 2.815 ( -0.004 -1.446 -1.576) 2.139 2.900 ( -1.205 1.739 -1.672) 2.696 2.919 ( -1.972 0.027 -1.970) 2.788 3.623 ( 1.419 6.177 38.408) 38.927 3.741 ( -9.621 -3.774 36.660) 38.089 4.193 ( 1.547 3.389 -2.854) 4.692 4.235 ( -2.517 1.134 -3.075) 4.132 4.422 ( 5.333 3.288 -0.416) 6.279 4.471 ( 3.122 -1.584 -3.267) 4.789 4.541 ( -2.114 3.797 -0.804) 4.420 4.556 ( -3.014 0.793 -3.724) 4.856 4.643 ( 0.009 5.647 -5.942) 8.197 4.669 ( -1.592 3.069 -4.670) 5.810 4.812 ( -0.297 -1.120 10.100) 10.167 4.821 ( -0.971 -1.400 6.747) 6.958 4.932 ( 2.235 -9.314 9.186) 13.271 4.993 ( -2.724 -15.184 7.850) 17.309 5.279 ( -1.277 2.764 -1.300) 3.311 5.319 ( -5.425 0.273 0.786) 5.489 5.440 ( 0.535 -4.716 3.864) 6.120 5.455 ( -1.185 -5.181 5.749) 7.829 5.593 ( 2.513 1.972 -13.804) 14.169 5.620 ( 0.363 -0.666 -15.446) 15.465 5.876 ( 8.113 -1.376 5.589) 9.948 5.913 ( 7.029 -3.993 4.494) 9.249 6.065 ( 0.725 2.896 -12.957) 13.297 6.107 ( -0.347 -0.663 -17.717) 17.733 6.178 ( -1.997 2.820 -14.520) 14.925 6.194 ( -2.904 1.866 -12.914) 13.368 6.282 ( 1.723 -0.176 -1.723) 2.443 6.297 ( -0.140 -1.081 -8.529) 8.599 6.319 ( -1.961 2.038 -2.735) 3.934 6.400 ( -7.923 -6.649 8.844) 13.609 6.557 ( -0.561 1.134 4.490) 4.664 6.575 ( -1.954 -0.482 4.485) 4.916 6.664 ( 0.847 2.187 0.066) 2.346 6.681 ( -0.705 1.865 0.739) 2.126 6.772 ( 1.740 -1.930 -1.697) 3.104 6.817 ( -2.245 -4.010 -1.859) 4.958 7.056 ( 3.393 3.199 -1.581) 4.924 7.107 ( 2.110 -0.988 -3.290) 4.032 7.115 ( 3.846 4.240 -0.088) 5.725 7.188 ( 0.470 -1.287 -2.957) 3.259 7.249 ( -0.925 1.926 -0.757) 2.267 7.283 ( -1.723 -2.101 0.975) 2.887 7.310 ( -1.666 3.573 2.428) 4.630 7.339 ( -1.695 -0.964 3.527) 4.030 7.380 ( -0.196 0.594 2.766) 2.835 7.408 ( -2.095 1.416 3.325) 4.177 7.438 ( 0.154 -0.240 5.040) 5.048 7.453 ( -0.559 -0.572 0.328) 0.865 7.522 ( 0.361 3.350 5.674) 6.599 7.541 ( -2.096 4.669 1.791) 5.422 7.618 ( -1.164 -2.967 3.309) 4.594 7.651 ( -3.375 -2.710 -1.729) 4.661 7.754 ( 0.727 -0.166 -2.148) 2.274 7.768 ( -0.145 -0.333 -3.428) 3.448 7.782 ( 1.402 -2.919 -2.002) 3.807 7.805 ( -0.404 -3.346 -1.221) 3.585 8.134 ( 2.013 7.730 -5.388) 9.635 8.152 ( 0.370 9.499 -6.475) 11.502 8.261 ( 2.701 -5.389 -7.032) 9.262 8.293 ( -0.154 -4.730 -7.449) 8.825======================= Grid point 18 (9/28) =======================q-point: ( 0.00 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.646 ( 0.000 0.000 14.354) 14.354 0.836 ( 0.000 0.000 12.458) 12.458 0.931 ( 0.000 0.000 7.186) 7.186 0.967 ( 0.000 0.000 10.859) 10.859 0.969 ( 0.000 0.000 4.669) 4.669 0.999 ( 0.000 0.000 13.557) 13.557 1.033 ( 0.000 0.000 9.672) 9.672 1.044 ( 0.000 0.000 7.315) 7.315 1.118 ( 0.000 0.000 12.902) 12.902 1.121 ( 0.000 0.000 -1.938) 1.938 1.226 ( 0.000 0.000 4.858) 4.858 1.227 ( 0.000 0.000 2.709) 2.709 1.233 ( 0.000 0.000 6.100) 6.100 1.236 ( 0.000 0.000 8.367) 8.367 1.278 ( 0.000 0.000 6.456) 6.456 1.320 ( 0.000 0.000 0.358) 0.358 1.366 ( 0.000 0.000 0.447) 0.447 1.367 ( 0.000 0.000 5.290) 5.290 1.394 ( 0.000 0.000 2.196) 2.196 1.487 ( 0.000 0.000 13.717) 13.717 1.508 ( 0.000 0.000 6.379) 6.379 1.544 ( 0.000 0.000 9.416) 9.416 1.571 ( 0.000 0.000 4.135) 4.135 1.582 ( 0.000 0.000 3.685) 3.685 1.614 ( 0.000 0.000 2.192) 2.192 1.621 ( 0.000 0.000 6.604) 6.604 1.627 ( 0.000 0.000 7.284) 7.284 1.659 ( 0.000 0.000 2.130) 2.130 1.659 ( 0.000 0.000 10.219) 10.219 1.689 ( 0.000 0.000 5.438) 5.438 1.734 ( 0.000 0.000 11.284) 11.284 1.736 ( 0.000 0.000 1.170) 1.170 1.806 ( 0.000 0.000 4.597) 4.597 1.843 ( 0.000 0.000 1.883) 1.883 1.919 ( 0.000 0.000 6.321) 6.321 1.930 ( 0.000 0.000 0.538) 0.538 1.964 ( 0.000 0.000 7.061) 7.061 1.966 ( 0.000 0.000 6.984) 6.984 1.988 ( 0.000 0.000 15.230) 15.230 2.057 ( 0.000 0.000 10.299) 10.299 2.080 ( 0.000 0.000 9.740) 9.740 2.086 ( 0.000 0.000 11.222) 11.222 2.163 ( 0.000 0.000 10.030) 10.030 2.244 ( 0.000 0.000 7.571) 7.571 2.249 ( 0.000 0.000 1.812) 1.812 2.292 ( 0.000 0.000 3.951) 3.951 2.334 ( 0.000 0.000 11.928) 11.928 2.362 ( 0.000 0.000 -5.512) 5.512 2.393 ( 0.000 0.000 3.269) 3.269 2.403 ( 0.000 0.000 1.846) 1.846 2.424 ( 0.000 0.000 1.973) 1.973 2.470 ( 0.000 0.000 0.485) 0.485 2.583 ( 0.000 0.000 -0.734) 0.734 2.610 ( 0.000 0.000 2.816) 2.816 2.642 ( 0.000 0.000 0.110) 0.110 2.696 ( 0.000 0.000 -1.409) 1.409 2.700 ( 0.000 0.000 0.767) 0.767 2.800 ( 0.000 0.000 -5.715) 5.715 2.869 ( 0.000 0.000 -3.924) 3.924 2.870 ( 0.000 0.000 2.302) 2.302 4.060 ( 0.000 0.000 9.132) 9.132 4.068 ( 0.000 0.000 6.401) 6.401 4.119 ( 0.000 0.000 -2.979) 2.979 4.254 ( 0.000 0.000 1.294) 1.294 4.356 ( 0.000 0.000 -6.446) 6.446 4.385 ( 0.000 0.000 -7.630) 7.630 4.412 ( 0.000 0.000 -3.168) 3.168 4.521 ( 0.000 0.000 -5.239) 5.239 4.526 ( 0.000 0.000 -8.450) 8.450 4.606 ( 0.000 0.000 -9.976) 9.976 5.025 ( 0.000 0.000 7.312) 7.312 5.039 ( 0.000 0.000 2.816) 2.816 5.085 ( 0.000 0.000 2.150) 2.150 5.127 ( 0.000 0.000 9.264) 9.264 5.272 ( 0.000 0.000 -2.787) 2.787 5.322 ( 0.000 0.000 5.949) 5.949 5.353 ( 0.000 0.000 4.798) 4.798 5.485 ( 0.000 0.000 -0.134) 0.134 5.595 ( 0.000 0.000 -3.709) 3.709 5.660 ( 0.000 0.000 -14.259) 14.259 5.739 ( 0.000 0.000 -16.455) 16.455 5.763 ( 0.000 0.000 -6.708) 6.708 5.788 ( 0.000 0.000 -5.301) 5.301 5.892 ( 0.000 0.000 -3.998) 3.998 5.934 ( 0.000 0.000 -13.400) 13.400 5.942 ( 0.000 0.000 3.442) 3.442 6.340 ( 0.000 0.000 9.688) 9.688 6.376 ( 0.000 0.000 7.716) 7.716 6.384 ( 0.000 0.000 15.118) 15.118 6.580 ( 0.000 0.000 -1.351) 1.351 6.606 ( 0.000 0.000 -2.098) 2.098 6.663 ( 0.000 0.000 -2.157) 2.157 6.668 ( 0.000 0.000 2.766) 2.766 6.720 ( 0.000 0.000 -3.947) 3.947 6.818 ( 0.000 0.000 -4.189) 4.189 6.890 ( 0.000 0.000 -5.138) 5.138 6.893 ( 0.000 0.000 -5.034) 5.034 6.986 ( 0.000 0.000 -5.975) 5.975 7.070 ( 0.000 0.000 -6.013) 6.013 7.108 ( 0.000 0.000 5.996) 5.996 7.190 ( 0.000 0.000 -4.212) 4.212 7.259 ( 0.000 0.000 -4.872) 4.872 7.279 ( 0.000 0.000 -5.286) 5.286 7.316 ( 0.000 0.000 -2.716) 2.716 7.358 ( 0.000 0.000 -7.914) 7.914 7.436 ( 0.000 0.000 -4.216) 4.216 7.442 ( 0.000 0.000 -1.578) 1.578 7.580 ( 0.000 0.000 -4.616) 4.616 7.590 ( 0.000 0.000 6.535) 6.535 7.597 ( 0.000 0.000 5.784) 5.784 7.599 ( 0.000 0.000 -3.556) 3.556 7.658 ( 0.000 0.000 4.968) 4.968 7.671 ( 0.000 0.000 -6.421) 6.421 7.701 ( 0.000 0.000 -0.885) 0.885 7.712 ( 0.000 0.000 0.936) 0.936 7.835 ( 0.000 0.000 -0.330) 0.330 7.873 ( 0.000 0.000 -5.384) 5.384 7.919 ( 0.000 0.000 -5.776) 5.776 8.146 ( 0.000 0.000 -5.918) 5.918 8.147 ( 0.000 0.000 -8.532) 8.532======================= Grid point 19 (10/28) =======================q-point: ( 0.33 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.652 ( -5.925 0.000 19.930) 20.792 0.659 ( 2.240 0.000 12.740) 12.936 0.780 ( -7.974 0.000 8.658) 11.771 0.780 ( -14.985 0.000 7.735) 16.864 0.853 ( -1.988 0.000 12.629) 12.785 0.897 ( -4.349 0.000 5.791) 7.242 1.054 ( 1.530 0.000 9.186) 9.313 1.089 ( 0.783 0.000 8.585) 8.620 1.149 ( 0.198 0.000 4.979) 4.983 1.161 ( 5.717 0.000 5.933) 8.239 1.220 ( 2.851 0.000 3.765) 4.722 1.247 ( 0.735 0.000 4.107) 4.172 1.248 ( -4.748 0.000 0.927) 4.838 1.310 ( -0.781 0.000 4.757) 4.821 1.361 ( 1.458 0.000 4.060) 4.314 1.394 ( 5.665 0.000 2.852) 6.343 1.402 ( -0.958 0.000 4.281) 4.387 1.403 ( 4.529 0.000 3.534) 5.745 1.443 ( 0.977 0.000 2.683) 2.855 1.486 ( -0.902 0.000 4.231) 4.326 1.520 ( -2.507 0.000 6.106) 6.601 1.548 ( -1.084 0.000 10.899) 10.952 1.573 ( 0.296 0.000 2.903) 2.918 1.585 ( 6.504 0.000 5.103) 8.267 1.631 ( -0.606 0.000 6.438) 6.467 1.640 ( 4.285 0.000 9.490) 10.413 1.648 ( 0.510 0.000 7.730) 7.746 1.665 ( 0.562 0.000 7.385) 7.407 1.679 ( 1.601 0.000 3.723) 4.052 1.707 ( -1.526 0.000 3.596) 3.907 1.720 ( 6.508 0.000 11.610) 13.309 1.739 ( 0.071 0.000 9.279) 9.279 1.780 ( -2.491 0.000 6.867) 7.305 1.846 ( -0.209 0.000 3.661) 3.667 1.912 ( -0.500 0.000 1.538) 1.617 1.947 ( 0.777 0.000 5.129) 5.187 1.991 ( 1.140 0.000 7.055) 7.146 1.997 ( 0.488 0.000 5.870) 5.890 2.029 ( 2.003 0.000 11.074) 11.254 2.069 ( 0.110 0.000 11.080) 11.080 2.089 ( 3.935 0.000 7.813) 8.748 2.118 ( 2.915 0.000 11.787) 12.142 2.131 ( -2.615 0.000 9.843) 10.185 2.143 ( -9.091 0.000 11.443) 14.615 2.207 ( -3.351 0.000 9.562) 10.132 2.209 ( -5.083 0.000 6.078) 7.923 2.273 ( 0.163 0.000 3.256) 3.261 2.304 ( -2.723 0.000 0.410) 2.754 2.432 ( 1.973 0.000 0.998) 2.211 2.442 ( 1.375 0.000 -0.725) 1.554 2.487 ( 1.549 0.000 0.825) 1.755 2.503 ( 2.064 0.000 1.483) 2.541 2.566 ( -0.920 0.000 -0.842) 1.247 2.578 ( -1.356 0.000 0.662) 1.509 2.675 ( 0.706 0.000 -0.423) 0.823 2.688 ( -0.782 0.000 -0.260) 0.824 2.714 ( 2.286 0.000 -2.343) 3.274 2.773 ( -2.346 0.000 -3.771) 4.442 2.865 ( -0.022 0.000 0.048) 0.052 2.869 ( -0.108 0.000 -2.605) 2.607 4.033 ( -0.963 0.000 6.994) 7.060 4.044 ( -1.571 0.000 7.070) 7.242 4.135 ( 1.231 0.000 -0.288) 1.265 4.185 ( -3.440 0.000 -0.223) 3.448 4.394 ( 0.696 0.000 -6.710) 6.746 4.407 ( -0.204 0.000 -4.996) 5.000 4.420 ( 3.167 0.000 -2.686) 4.153 4.482 ( -2.215 0.000 -4.277) 4.816 4.583 ( 2.993 0.000 -3.466) 4.579 4.620 ( 0.138 0.000 -5.814) 5.816 5.029 ( 0.848 0.000 8.218) 8.262 5.065 ( 2.037 0.000 -1.187) 2.358 5.071 ( -2.263 0.000 8.171) 8.479 5.105 ( -1.030 0.000 -1.579) 1.886 5.266 ( -0.161 0.000 -1.034) 1.047 5.288 ( -2.311 0.000 2.677) 3.536 5.413 ( 6.107 0.000 6.739) 9.094 5.553 ( -4.662 0.000 1.065) 4.782 5.568 ( 5.323 0.000 -1.549) 5.543 5.642 ( -0.913 0.000 -10.520) 10.560 5.706 ( -2.018 0.000 -18.066) 18.178 5.725 ( -4.010 0.000 -8.605) 9.493 5.782 ( 1.972 0.000 -6.381) 6.678 5.864 ( -5.008 0.000 -10.088) 11.263 5.914 ( 1.579 0.000 -3.796) 4.111 5.944 ( -0.671 0.000 -0.377) 0.770 6.347 ( -0.617 0.000 12.082) 12.097 6.368 ( -1.174 0.000 9.169) 9.243 6.441 ( 7.915 0.000 7.616) 10.984 6.596 ( -1.795 0.000 -2.130) 2.785 6.605 ( -0.373 0.000 0.958) 1.028 6.616 ( -1.540 0.000 -1.464) 2.125 6.673 ( -2.559 0.000 1.110) 2.789 6.677 ( -0.733 0.000 2.183) 2.302 6.792 ( -1.529 0.000 -3.324) 3.659 6.794 ( -2.695 0.000 -2.798) 3.885 6.941 ( 1.155 0.000 -4.741) 4.880 6.958 ( -0.891 0.000 -4.168) 4.262 7.072 ( 1.100 0.000 -5.745) 5.849 7.114 ( -3.051 0.000 -3.574) 4.699 7.232 ( 5.792 0.000 -0.054) 5.792 7.250 ( 0.118 0.000 -6.615) 6.616 7.287 ( 0.045 0.000 -2.469) 2.469 7.327 ( 1.222 0.000 -6.513) 6.626 7.356 ( -0.380 0.000 -6.236) 6.247 7.404 ( -3.895 0.000 -1.683) 4.243 7.459 ( 1.273 0.000 -2.349) 2.672 7.523 ( -4.899 0.000 0.898) 4.981 7.569 ( 0.016 0.000 -0.859) 0.859 7.573 ( -0.214 0.000 2.039) 2.050 7.627 ( 1.604 0.000 5.285) 5.523 7.643 ( -0.691 0.000 4.006) 4.065 7.688 ( 0.667 0.000 -6.201) 6.237 7.690 ( -0.426 0.000 -2.856) 2.888 7.819 ( 3.723 0.000 -0.950) 3.842 7.838 ( 0.275 0.000 -0.675) 0.729 7.888 ( 2.403 0.000 -5.318) 5.836 7.935 ( -0.044 0.000 -6.010) 6.010 8.149 ( 0.256 0.000 -8.287) 8.291 8.154 ( 0.119 0.000 -7.116) 7.117======================= Grid point 21 (11/28) =======================q-point: ( 0.00 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.700 ( 0.000 4.674 13.222) 14.024 0.799 ( 0.000 -5.307 11.476) 12.644 0.924 ( 0.000 0.968 8.824) 8.876 0.941 ( 0.000 0.271 7.826) 7.831 0.968 ( 0.000 1.039 11.713) 11.759 1.000 ( 0.000 -0.643 14.595) 14.610 1.041 ( 0.000 2.819 5.985) 6.616 1.117 ( 0.000 0.666 4.044) 4.098 1.144 ( 0.000 2.734 9.114) 9.515 1.174 ( 0.000 3.109 -0.842) 3.221 1.190 ( 0.000 -1.318 6.224) 6.362 1.225 ( 0.000 -0.049 3.861) 3.861 1.228 ( 0.000 -0.248 4.802) 4.809 1.240 ( 0.000 0.979 3.487) 3.621 1.271 ( 0.000 -3.855 2.992) 4.880 1.294 ( 0.000 -1.581 4.603) 4.867 1.330 ( 0.000 -2.004 2.324) 3.069 1.344 ( 0.000 -2.205 3.142) 3.839 1.438 ( 0.000 4.592 6.800) 8.205 1.470 ( 0.000 -0.429 8.066) 8.077 1.505 ( 0.000 -0.727 9.260) 9.289 1.547 ( 0.000 2.575 11.823) 12.101 1.549 ( 0.000 -5.476 4.214) 6.909 1.588 ( 0.000 1.720 4.879) 5.174 1.603 ( 0.000 -2.396 9.534) 9.830 1.618 ( 0.000 0.174 7.202) 7.204 1.620 ( 0.000 -1.372 6.036) 6.190 1.641 ( 0.000 3.531 3.067) 4.677 1.657 ( 0.000 -2.670 7.872) 8.312 1.696 ( 0.000 -2.126 2.986) 3.666 1.704 ( 0.000 1.879 6.377) 6.648 1.741 ( 0.000 -1.915 7.203) 7.453 1.808 ( 0.000 0.665 5.767) 5.805 1.841 ( 0.000 -3.229 8.036) 8.660 1.871 ( 0.000 2.661 3.860) 4.689 1.927 ( 0.000 -2.793 6.344) 6.931 1.954 ( 0.000 1.803 4.368) 4.726 1.983 ( 0.000 -0.357 6.030) 6.041 2.055 ( 0.000 0.857 9.559) 9.598 2.069 ( 0.000 3.314 8.206) 8.850 2.082 ( 0.000 -0.647 9.728) 9.750 2.092 ( 0.000 0.417 9.482) 9.491 2.179 ( 0.000 2.981 9.476) 9.933 2.249 ( 0.000 -2.391 6.394) 6.827 2.267 ( 0.000 0.746 7.204) 7.242 2.300 ( 0.000 2.794 4.648) 5.423 2.308 ( 0.000 0.571 7.265) 7.287 2.366 ( 0.000 0.705 -1.634) 1.780 2.384 ( 0.000 -1.457 -0.711) 1.621 2.414 ( 0.000 -3.120 1.590) 3.502 2.440 ( 0.000 3.075 1.351) 3.359 2.487 ( 0.000 -1.454 1.521) 2.104 2.542 ( 0.000 0.310 1.494) 1.526 2.585 ( 0.000 -2.632 2.076) 3.352 2.657 ( 0.000 1.491 -0.510) 1.576 2.691 ( 0.000 -1.370 -0.606) 1.498 2.738 ( 0.000 4.187 -0.037) 4.187 2.800 ( 0.000 -1.227 -3.473) 3.684 2.865 ( 0.000 -0.029 -0.055) 0.063 2.871 ( 0.000 -0.106 -3.598) 3.600 4.123 ( 0.000 4.653 6.141) 7.705 4.143 ( 0.000 1.714 -0.864) 1.920 4.214 ( 0.000 11.749 3.091) 12.149 4.318 ( 0.000 2.888 -0.172) 2.894 4.350 ( 0.000 -0.230 -3.052) 3.061 4.371 ( 0.000 -1.529 -3.711) 4.013 4.423 ( 0.000 2.324 -4.412) 4.987 4.481 ( 0.000 -3.402 -2.740) 4.368 4.590 ( 0.000 5.187 -10.240) 11.479 4.632 ( 0.000 1.397 -12.755) 12.831 4.998 ( 0.000 -0.570 5.707) 5.735 5.035 ( 0.000 -1.453 2.135) 2.582 5.038 ( 0.000 -4.551 5.359) 7.031 5.082 ( 0.000 -10.352 3.537) 10.940 5.120 ( 0.000 0.652 4.856) 4.900 5.203 ( 0.000 -10.296 4.746) 11.337 5.440 ( 0.000 3.977 0.851) 4.067 5.473 ( 0.000 -0.731 -1.510) 1.678 5.598 ( 0.000 0.583 -0.077) 0.588 5.643 ( 0.000 -3.964 -1.995) 4.437 5.721 ( 0.000 1.653 -14.590) 14.683 5.759 ( 0.000 -1.274 -12.333) 12.399 5.800 ( 0.000 1.827 1.256) 2.217 5.850 ( 0.000 -3.052 -2.129) 3.721 5.928 ( 0.000 -0.448 -13.280) 13.287 5.929 ( 0.000 -0.798 -6.377) 6.426 6.329 ( 0.000 -0.255 9.505) 9.508 6.348 ( 0.000 -1.929 10.683) 10.856 6.463 ( 0.000 6.434 7.374) 9.786 6.586 ( 0.000 -6.566 -1.999) 6.864 6.613 ( 0.000 3.004 -1.227) 3.245 6.664 ( 0.000 2.837 2.049) 3.500 6.689 ( 0.000 2.881 -4.652) 5.472 6.694 ( 0.000 1.354 3.343) 3.606 6.779 ( 0.000 -6.278 3.434) 7.156 6.830 ( 0.000 -5.973 -3.774) 7.065 6.914 ( 0.000 1.389 -4.770) 4.968 6.951 ( 0.000 -2.615 -5.623) 6.202 7.044 ( 0.000 1.506 -1.082) 1.855 7.074 ( 0.000 -0.367 -5.911) 5.922 7.242 ( 0.000 1.104 -6.205) 6.303 7.251 ( 0.000 -0.254 -5.192) 5.198 7.333 ( 0.000 0.292 -6.553) 6.560 7.336 ( 0.000 0.433 -5.364) 5.382 7.354 ( 0.000 2.992 -3.746) 4.794 7.401 ( 0.000 -1.275 1.316) 1.832 7.502 ( 0.000 3.185 -2.620) 4.124 7.554 ( 0.000 -2.810 3.499) 4.488 7.554 ( 0.000 -0.089 -4.505) 4.506 7.588 ( 0.000 -1.769 -2.902) 3.399 7.628 ( 0.000 1.696 -4.080) 4.419 7.657 ( 0.000 -1.326 -3.203) 3.467 7.665 ( 0.000 0.784 4.091) 4.165 7.691 ( 0.000 -1.908 0.436) 1.957 7.733 ( 0.000 3.194 2.758) 4.221 7.801 ( 0.000 -3.325 1.308) 3.573 7.980 ( 0.000 7.460 -5.963) 9.551 7.991 ( 0.000 7.616 -6.164) 9.798 8.086 ( 0.000 -4.701 -6.660) 8.152 8.125 ( 0.000 -4.228 -7.276) 8.416======================= Grid point 22 (12/28) =======================q-point: ( 0.33 0.33 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.698 ( -0.498 4.106 15.746) 16.280 0.743 ( -0.078 3.174 11.982) 12.396 0.791 ( -8.158 5.393 11.085) 14.783 0.842 ( -3.364 2.494 11.841) 12.560 0.886 ( -8.802 3.785 7.939) 12.443 0.893 ( -6.073 -1.902 10.459) 12.243 0.997 ( -0.164 -3.569 4.181) 5.500 1.015 ( -0.249 -5.466 8.694) 10.273 1.148 ( -0.333 0.723 5.201) 5.262 1.186 ( 2.481 1.398 4.631) 5.436 1.197 ( -2.769 -3.848 2.404) 5.315 1.226 ( 0.315 -1.602 2.880) 3.310 1.268 ( 2.404 1.499 4.546) 5.357 1.301 ( 0.981 0.599 3.918) 4.083 1.323 ( 1.698 -3.550 2.718) 4.782 1.345 ( 2.505 -3.138 4.460) 6.001 1.386 ( 3.349 0.466 3.806) 5.091 1.406 ( 2.528 -1.250 4.783) 5.552 1.492 ( -3.270 1.705 4.005) 5.444 1.509 ( 0.205 2.137 3.304) 3.940 1.529 ( -1.002 1.041 4.634) 4.854 1.559 ( -0.342 2.215 9.436) 9.699 1.567 ( 3.469 -0.137 6.615) 7.471 1.596 ( 4.459 0.504 4.999) 6.717 1.609 ( 1.121 -2.071 3.862) 4.523 1.627 ( 2.952 -0.960 7.832) 8.425 1.635 ( 1.352 -1.254 8.152) 8.358 1.655 ( 0.345 -1.568 6.038) 6.248 1.680 ( 0.081 0.329 8.393) 8.400 1.697 ( 0.200 -0.817 8.021) 8.065 1.714 ( 1.688 2.440 7.209) 7.796 1.760 ( 0.154 -1.651 6.443) 6.653 1.786 ( 1.982 2.387 9.759) 10.241 1.847 ( 1.600 -3.342 7.406) 8.281 1.909 ( 2.514 1.727 5.143) 5.979 1.945 ( -0.127 0.884 4.644) 4.729 1.964 ( 1.780 -1.363 6.536) 6.910 1.990 ( 0.154 -1.377 6.611) 6.755 2.053 ( 0.212 1.396 8.862) 8.974 2.065 ( -1.076 2.365 8.903) 9.275 2.096 ( -0.580 -1.993 9.225) 9.456 2.101 ( -0.378 -1.248 9.475) 9.564 2.136 ( -8.897 -0.235 12.031) 14.965 2.147 ( -4.840 -0.607 9.941) 11.073 2.199 ( 1.322 3.521 7.546) 8.431 2.242 ( -0.827 -0.367 5.511) 5.584 2.287 ( -0.950 1.704 3.853) 4.319 2.318 ( -3.913 -0.388 2.075) 4.447 2.433 ( 2.726 0.471 -0.268) 2.780 2.444 ( 1.753 -0.582 -0.944) 2.074 2.482 ( 1.423 0.906 1.353) 2.162 2.500 ( 0.045 -1.014 1.669) 1.954 2.577 ( 2.418 2.097 -0.235) 3.209 2.612 ( 0.625 -0.093 0.419) 0.758 2.647 ( 0.114 0.067 -0.630) 0.643 2.676 ( -1.238 -1.443 -0.671) 2.017 2.737 ( 0.388 2.011 -2.014) 2.872 2.771 ( -2.167 -0.860 -2.982) 3.785 2.868 ( 0.242 0.287 -1.272) 1.326 2.872 ( -0.009 0.064 -2.685) 2.686 4.110 ( 0.007 5.388 3.469) 6.408 4.137 ( -1.306 3.643 -0.561) 3.910 4.185 ( -0.648 6.876 7.763) 10.390 4.225 ( -3.710 2.957 3.256) 5.754 4.382 ( 1.180 0.117 -3.855) 4.033 4.399 ( -0.214 -1.569 -3.101) 3.482 4.484 ( 4.053 3.130 -4.396) 6.749 4.505 ( 1.634 1.529 -3.185) 3.893 4.582 ( -0.163 1.944 -8.190) 8.419 4.620 ( -1.783 -0.502 -9.310) 9.493 4.991 ( -0.043 -1.399 5.702) 5.871 5.014 ( -1.714 -3.409 6.036) 7.141 5.056 ( 1.628 -2.135 0.387) 2.713 5.090 ( -0.662 -5.567 1.509) 5.806 5.115 ( 0.975 -5.298 3.880) 6.639 5.163 ( -2.591 -9.168 4.511) 10.541 5.489 ( 3.648 3.991 2.910) 6.140 5.525 ( 2.440 -0.751 0.299) 2.570 5.586 ( -0.390 0.631 1.887) 2.028 5.616 ( -1.603 -2.667 0.248) 3.122 5.717 ( 0.307 2.475 -16.873) 17.057 5.755 ( -1.253 -0.215 -14.763) 14.817 5.778 ( -0.947 1.192 -7.265) 7.422 5.825 ( -3.355 -3.016 -8.154) 9.319 5.914 ( 0.637 0.270 -6.421) 6.458 5.928 ( -0.118 -1.175 -3.766) 3.947 6.355 ( 1.442 1.216 9.595) 9.779 6.392 ( 3.263 -2.038 6.428) 7.492 6.429 ( -1.072 3.315 10.069) 10.655 6.532 ( -4.615 -6.635 2.514) 8.464 6.612 ( -0.054 2.529 0.300) 2.547 6.642 ( -2.647 2.538 1.422) 3.933 6.682 ( 0.412 1.779 -0.091) 1.828 6.694 ( -0.341 1.177 1.559) 1.983 6.734 ( -0.300 -4.146 0.194) 4.162 6.760 ( -2.491 -4.108 -3.062) 5.697 6.973 ( 2.338 2.224 -5.981) 6.796 6.995 ( 0.674 1.176 -6.817) 6.950 7.068 ( 1.936 0.674 -4.338) 4.798 7.097 ( 0.235 -1.349 -5.405) 5.575 7.223 ( 0.330 -0.150 -3.862) 3.879 7.239 ( -0.684 -1.233 -5.484) 5.662 7.312 ( -0.848 1.148 -5.013) 5.212 7.329 ( -1.123 -1.004 -6.426) 6.600 7.382 ( 2.379 4.125 -1.248) 4.923 7.421 ( -0.099 0.679 -0.996) 1.209 7.491 ( -1.111 2.006 -1.560) 2.773 7.513 ( -1.959 -1.431 2.188) 3.267 7.547 ( -0.237 -1.873 -0.476) 1.947 7.549 ( -0.387 -1.385 -3.077) 3.397 7.604 ( -1.260 0.159 -3.739) 3.948 7.626 ( -1.861 -1.225 -1.277) 2.568 7.699 ( 2.227 1.788 0.761) 2.956 7.733 ( -0.582 3.147 1.115) 3.389 7.765 ( 3.620 -3.781 2.074) 5.630 7.813 ( -0.367 -3.550 0.948) 3.692 7.997 ( 1.148 7.163 -6.673) 9.857 8.006 ( 0.617 7.214 -6.556) 9.768 8.102 ( 1.326 -4.179 -7.190) 8.422 8.126 ( -0.371 -3.895 -7.324) 8.303======================= Grid point 27 (13/28) =======================q-point: ( 0.00 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.918 ( 0.000 0.000 11.834) 11.834 0.961 ( 0.000 0.000 3.820) 3.820 1.060 ( 0.000 0.000 5.835) 5.835 1.104 ( 0.000 0.000 2.833) 2.833 1.125 ( 0.000 0.000 7.830) 7.830 1.136 ( 0.000 0.000 3.977) 3.977 1.203 ( 0.000 0.000 8.102) 8.102 1.222 ( 0.000 0.000 5.968) 5.968 1.270 ( 0.000 0.000 6.128) 6.128 1.295 ( 0.000 0.000 5.335) 5.335 1.308 ( 0.000 0.000 1.431) 1.431 1.325 ( 0.000 0.000 7.699) 7.699 1.348 ( 0.000 0.000 -1.525) 1.525 1.367 ( 0.000 0.000 6.909) 6.909 1.383 ( 0.000 0.000 1.270) 1.270 1.390 ( 0.000 0.000 8.247) 8.247 1.438 ( 0.000 0.000 7.717) 7.717 1.443 ( 0.000 0.000 10.133) 10.133 1.464 ( 0.000 0.000 4.587) 4.587 1.603 ( 0.000 0.000 1.973) 1.973 1.614 ( 0.000 0.000 -0.147) 0.147 1.650 ( 0.000 0.000 3.736) 3.736 1.667 ( 0.000 0.000 0.046) 0.046 1.667 ( 0.000 0.000 2.021) 2.021 1.692 ( 0.000 0.000 3.634) 3.634 1.738 ( 0.000 0.000 1.152) 1.152 1.741 ( 0.000 0.000 2.825) 2.825 1.762 ( 0.000 0.000 8.054) 8.054 1.786 ( 0.000 0.000 2.558) 2.558 1.803 ( 0.000 0.000 3.074) 3.074 1.824 ( 0.000 0.000 4.799) 4.799 1.841 ( 0.000 0.000 0.913) 0.913 1.905 ( 0.000 0.000 0.402) 0.402 1.916 ( 0.000 0.000 0.436) 0.436 1.957 ( 0.000 0.000 13.005) 13.005 2.079 ( 0.000 0.000 10.948) 10.948 2.082 ( 0.000 0.000 2.948) 2.948 2.084 ( 0.000 0.000 4.482) 4.482 2.166 ( 0.000 0.000 -6.896) 6.896 2.198 ( 0.000 0.000 1.581) 1.581 2.260 ( 0.000 0.000 1.298) 1.298 2.280 ( 0.000 0.000 11.223) 11.223 2.299 ( 0.000 0.000 11.683) 11.683 2.342 ( 0.000 0.000 1.098) 1.098 2.371 ( 0.000 0.000 2.347) 2.347 2.394 ( 0.000 0.000 13.473) 13.473 2.426 ( 0.000 0.000 9.273) 9.273 2.437 ( 0.000 0.000 2.267) 2.267 2.470 ( 0.000 0.000 4.355) 4.355 2.520 ( 0.000 0.000 6.225) 6.225 2.524 ( 0.000 0.000 6.248) 6.248 2.534 ( 0.000 0.000 -5.193) 5.193 2.573 ( 0.000 0.000 10.901) 10.901 2.588 ( 0.000 0.000 -6.167) 6.167 2.672 ( 0.000 0.000 -0.050) 0.050 2.680 ( 0.000 0.000 4.624) 4.624 2.688 ( 0.000 0.000 -2.499) 2.499 2.729 ( 0.000 0.000 2.455) 2.455 2.829 ( 0.000 0.000 1.307) 1.307 2.925 ( 0.000 0.000 3.142) 3.142 3.994 ( 0.000 0.000 -12.203) 12.203 4.026 ( 0.000 0.000 -21.113) 21.113 4.084 ( 0.000 0.000 -2.080) 2.080 4.173 ( 0.000 0.000 2.392) 2.392 4.243 ( 0.000 0.000 -6.567) 6.567 4.286 ( 0.000 0.000 -1.223) 1.223 4.286 ( 0.000 0.000 -3.110) 3.110 4.376 ( 0.000 0.000 1.344) 1.344 4.404 ( 0.000 0.000 0.961) 0.961 4.451 ( 0.000 0.000 -2.042) 2.042 5.049 ( 0.000 0.000 -5.839) 5.839 5.065 ( 0.000 0.000 -13.062) 13.062 5.089 ( 0.000 0.000 -9.442) 9.442 5.144 ( 0.000 0.000 -17.735) 17.735 5.347 ( 0.000 0.000 -10.479) 10.479 5.362 ( 0.000 0.000 14.309) 14.309 5.366 ( 0.000 0.000 -13.907) 13.907 5.449 ( 0.000 0.000 12.972) 12.972 5.521 ( 0.000 0.000 8.235) 8.235 5.537 ( 0.000 0.000 4.061) 4.061 5.570 ( 0.000 0.000 4.329) 4.329 5.599 ( 0.000 0.000 -4.192) 4.192 5.798 ( 0.000 0.000 7.999) 7.999 5.967 ( 0.000 0.000 8.227) 8.227 6.037 ( 0.000 0.000 12.977) 12.977 6.066 ( 0.000 0.000 7.891) 7.891 6.448 ( 0.000 0.000 -0.415) 0.415 6.473 ( 0.000 0.000 -8.234) 8.234 6.492 ( 0.000 0.000 1.153) 1.153 6.532 ( 0.000 0.000 -4.166) 4.166 6.631 ( 0.000 0.000 0.016) 0.016 6.637 ( 0.000 0.000 -5.168) 5.168 6.696 ( 0.000 0.000 9.989) 9.989 6.734 ( 0.000 0.000 -3.683) 3.683 6.753 ( 0.000 0.000 -5.779) 5.779 6.762 ( 0.000 0.000 5.967) 5.967 6.771 ( 0.000 0.000 -6.471) 6.471 6.832 ( 0.000 0.000 -8.711) 8.711 6.935 ( 0.000 0.000 -7.023) 7.023 7.010 ( 0.000 0.000 -10.132) 10.132 7.115 ( 0.000 0.000 -7.880) 7.880 7.140 ( 0.000 0.000 -11.856) 11.856 7.176 ( 0.000 0.000 -8.047) 8.047 7.186 ( 0.000 0.000 -5.597) 5.597 7.195 ( 0.000 0.000 1.861) 1.861 7.386 ( 0.000 0.000 -0.835) 0.835 7.406 ( 0.000 0.000 -2.595) 2.595 7.421 ( 0.000 0.000 -9.225) 9.225 7.433 ( 0.000 0.000 -9.721) 9.721 7.500 ( 0.000 0.000 -8.488) 8.488 7.566 ( 0.000 0.000 -3.008) 3.008 7.609 ( 0.000 0.000 -2.846) 2.846 7.722 ( 0.000 0.000 -2.605) 2.605 7.746 ( 0.000 0.000 -2.612) 2.612 7.822 ( 0.000 0.000 -0.363) 0.363 7.827 ( 0.000 0.000 5.125) 5.125 7.911 ( 0.000 0.000 9.600) 9.600 7.931 ( 0.000 0.000 8.855) 8.855 8.051 ( 0.000 0.000 -0.930) 0.930 8.056 ( 0.000 0.000 1.259) 1.259======================= Grid point 28 (14/28) =======================q-point: ( 0.33 0.00 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.919 ( 0.576 0.000 11.391) 11.405 0.953 ( -1.515 0.000 6.852) 7.018 0.986 ( -3.952 0.000 10.273) 11.007 1.002 ( -3.788 0.000 10.869) 11.510 1.059 ( -1.964 0.000 11.219) 11.389 1.091 ( -3.553 0.000 9.253) 9.912 1.228 ( 3.086 0.000 4.532) 5.483 1.228 ( 1.646 0.000 5.649) 5.884 1.268 ( 0.031 0.000 4.783) 4.783 1.287 ( -1.501 0.000 2.069) 2.556 1.289 ( -2.152 0.000 5.265) 5.688 1.301 ( -2.546 0.000 6.696) 7.164 1.359 ( 1.484 0.000 6.617) 6.782 1.378 ( -0.558 0.000 2.115) 2.187 1.410 ( 1.972 0.000 1.974) 2.790 1.448 ( -0.672 0.000 2.316) 2.411 1.483 ( 3.887 0.000 5.659) 6.866 1.509 ( 3.114 0.000 5.322) 6.166 1.531 ( 4.230 0.000 4.744) 6.357 1.581 ( -2.097 0.000 3.547) 4.120 1.592 ( 0.574 0.000 1.582) 1.683 1.618 ( -3.330 0.000 2.972) 4.464 1.664 ( 1.496 0.000 2.206) 2.665 1.676 ( 2.249 0.000 2.737) 3.543 1.698 ( -0.303 0.000 1.549) 1.579 1.739 ( 0.619 0.000 3.741) 3.791 1.753 ( 1.411 0.000 3.712) 3.971 1.781 ( -0.467 0.000 3.345) 3.378 1.784 ( 1.091 0.000 3.693) 3.851 1.810 ( -0.970 0.000 1.593) 1.865 1.835 ( -0.247 0.000 1.271) 1.295 1.835 ( 0.380 0.000 2.648) 2.675 1.893 ( -1.030 0.000 -0.355) 1.090 1.901 ( -1.984 0.000 -0.557) 2.061 2.047 ( 1.295 0.000 5.461) 5.613 2.064 ( 3.111 0.000 -0.244) 3.120 2.070 ( -0.670 0.000 4.439) 4.490 2.096 ( 0.180 0.000 3.163) 3.168 2.191 ( 3.349 0.000 3.572) 4.896 2.223 ( 2.161 0.000 4.179) 4.705 2.261 ( -0.674 0.000 1.369) 1.526 2.263 ( -0.939 0.000 8.219) 8.272 2.293 ( -0.067 0.000 8.413) 8.414 2.323 ( -1.881 0.000 4.780) 5.136 2.370 ( -0.429 0.000 5.159) 5.176 2.374 ( -1.038 0.000 8.288) 8.353 2.402 ( -0.778 0.000 8.965) 8.999 2.429 ( -3.345 0.000 11.173) 11.663 2.479 ( 1.919 0.000 3.956) 4.397 2.508 ( -0.602 0.000 5.306) 5.340 2.540 ( 1.513 0.000 4.329) 4.586 2.552 ( 1.102 0.000 0.067) 1.104 2.584 ( 0.876 0.000 6.601) 6.659 2.606 ( -0.017 0.000 2.051) 2.052 2.669 ( -0.275 0.000 0.782) 0.829 2.675 ( -0.955 0.000 0.146) 0.966 2.710 ( 2.256 0.000 2.769) 3.572 2.727 ( 0.055 0.000 0.662) 0.665 2.814 ( -0.005 0.000 -0.978) 0.978 2.874 ( -3.838 0.000 1.653) 4.178 4.040 ( 3.334 0.000 -9.647) 10.207 4.057 ( 1.687 0.000 -16.434) 16.521 4.105 ( 1.164 0.000 -0.688) 1.352 4.152 ( -2.149 0.000 2.888) 3.600 4.248 ( 1.252 0.000 -4.432) 4.605 4.289 ( -1.027 0.000 -2.186) 2.415 4.339 ( 2.571 0.000 -5.092) 5.704 4.349 ( -0.161 0.000 -3.815) 3.819 4.429 ( 1.153 0.000 -0.554) 1.279 4.446 ( -0.474 0.000 -2.094) 2.147 5.043 ( 0.321 0.000 -8.554) 8.560 5.060 ( -1.618 0.000 -10.164) 10.292 5.113 ( 2.294 0.000 -10.434) 10.683 5.128 ( -0.821 0.000 -15.368) 15.390 5.230 ( -4.712 0.000 -7.380) 8.756 5.257 ( -4.953 0.000 -7.939) 9.357 5.436 ( 1.610 0.000 5.536) 5.766 5.458 ( -0.458 0.000 10.090) 10.100 5.530 ( 0.836 0.000 3.697) 3.791 5.550 ( 0.958 0.000 5.755) 5.834 5.554 ( -1.203 0.000 2.786) 3.035 5.577 ( -1.403 0.000 1.250) 1.879 5.831 ( 2.803 0.000 7.178) 7.706 5.909 ( -3.773 0.000 7.144) 8.079 6.063 ( 1.846 0.000 12.238) 12.377 6.087 ( 0.317 0.000 9.890) 9.895 6.465 ( 0.815 0.000 -2.501) 2.630 6.466 ( 0.068 0.000 -4.709) 4.710 6.513 ( 1.421 0.000 -1.357) 1.965 6.536 ( -0.365 0.000 -3.895) 3.912 6.615 ( -0.890 0.000 1.496) 1.741 6.621 ( -1.071 0.000 -2.561) 2.776 6.704 ( -1.014 0.000 0.513) 1.136 6.707 ( -1.199 0.000 -1.285) 1.758 6.724 ( 1.538 0.000 1.752) 2.331 6.761 ( -0.990 0.000 2.737) 2.910 6.811 ( 1.458 0.000 -6.514) 6.675 6.828 ( -0.266 0.000 -7.524) 7.529 6.947 ( 1.625 0.000 -6.587) 6.784 6.994 ( -1.687 0.000 -8.693) 8.855 7.102 ( -0.890 0.000 -5.808) 5.876 7.112 ( -1.771 0.000 -8.187) 8.376 7.156 ( -0.076 0.000 -9.184) 9.185 7.161 ( -0.810 0.000 -8.240) 8.280 7.277 ( 4.580 0.000 -2.164) 5.066 7.363 ( -2.571 0.000 -3.113) 4.037 7.413 ( 0.260 0.000 -2.117) 2.133 7.419 ( -0.137 0.000 -7.262) 7.263 7.450 ( 1.927 0.000 -9.294) 9.491 7.502 ( -1.282 0.000 -8.256) 8.355 7.565 ( -0.165 0.000 -4.186) 4.190 7.567 ( -1.515 0.000 -2.119) 2.605 7.726 ( 0.694 0.000 -1.786) 1.916 7.741 ( -0.455 0.000 -2.337) 2.381 7.830 ( 0.481 0.000 0.263) 0.549 7.837 ( 0.059 0.000 1.822) 1.823 7.926 ( 0.990 0.000 8.757) 8.813 7.935 ( 0.153 0.000 8.182) 8.183 8.067 ( 0.671 0.000 1.441) 1.589 8.068 ( 0.772 0.000 0.425) 0.881======================= Grid point 30 (15/28) =======================q-point: ( 0.00 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.953 ( 0.000 3.051 10.651) 11.080 0.989 ( 0.000 1.110 5.758) 5.864 1.071 ( 0.000 -2.039 8.227) 8.476 1.074 ( 0.000 0.762 5.544) 5.596 1.139 ( 0.000 2.647 3.032) 4.025 1.145 ( 0.000 1.032 5.753) 5.845 1.219 ( 0.000 -2.550 3.663) 4.463 1.224 ( 0.000 -3.306 0.909) 3.428 1.231 ( 0.000 3.406 7.007) 7.791 1.275 ( 0.000 0.154 3.801) 3.804 1.294 ( 0.000 -2.154 4.840) 5.298 1.324 ( 0.000 -2.135 4.381) 4.874 1.345 ( 0.000 0.056 8.385) 8.385 1.358 ( 0.000 -1.344 8.589) 8.694 1.381 ( 0.000 0.532 4.268) 4.301 1.388 ( 0.000 0.866 4.144) 4.234 1.431 ( 0.000 0.484 6.576) 6.594 1.435 ( 0.000 -1.469 7.802) 7.939 1.536 ( 0.000 4.218 3.751) 5.645 1.590 ( 0.000 -0.640 3.014) 3.081 1.605 ( 0.000 0.448 1.801) 1.856 1.631 ( 0.000 -1.679 2.901) 3.352 1.671 ( 0.000 0.344 1.985) 2.015 1.672 ( 0.000 -2.433 0.520) 2.488 1.694 ( 0.000 0.619 2.477) 2.553 1.696 ( 0.000 0.802 1.344) 1.566 1.736 ( 0.000 -1.519 7.613) 7.763 1.746 ( 0.000 -2.068 3.648) 4.193 1.789 ( 0.000 0.228 2.626) 2.636 1.791 ( 0.000 0.003 2.726) 2.726 1.846 ( 0.000 1.724 4.013) 4.367 1.860 ( 0.000 0.498 2.247) 2.302 1.930 ( 0.000 1.339 0.992) 1.667 1.949 ( 0.000 -0.617 7.968) 7.992 1.957 ( 0.000 4.416 1.467) 4.653 2.038 ( 0.000 -3.420 3.712) 5.047 2.067 ( 0.000 -0.802 10.379) 10.410 2.074 ( 0.000 -1.687 5.588) 5.838 2.179 ( 0.000 0.640 -2.802) 2.875 2.193 ( 0.000 -0.778 -0.182) 0.799 2.285 ( 0.000 2.289 1.902) 2.976 2.300 ( 0.000 1.925 12.171) 12.322 2.325 ( 0.000 -1.024 2.209) 2.435 2.333 ( 0.000 1.531 10.159) 10.274 2.364 ( 0.000 -1.173 8.381) 8.463 2.377 ( 0.000 -0.518 0.933) 1.067 2.437 ( 0.000 1.094 7.276) 7.358 2.453 ( 0.000 1.120 4.583) 4.717 2.493 ( 0.000 0.117 5.592) 5.593 2.502 ( 0.000 2.433 5.029) 5.587 2.528 ( 0.000 0.146 3.664) 3.666 2.543 ( 0.000 -3.011 10.676) 11.093 2.579 ( 0.000 1.051 1.773) 2.061 2.584 ( 0.000 -0.408 -3.298) 3.323 2.645 ( 0.000 -0.489 1.289) 1.379 2.663 ( 0.000 -0.970 -0.566) 1.123 2.715 ( 0.000 1.049 -0.820) 1.331 2.727 ( 0.000 -0.272 0.910) 0.950 2.852 ( 0.000 2.415 2.032) 3.156 2.903 ( 0.000 -2.303 2.824) 3.644 4.013 ( 0.000 1.289 -16.859) 16.908 4.027 ( 0.000 -0.166 -20.774) 20.775 4.137 ( 0.000 4.022 -0.775) 4.096 4.180 ( 0.000 -0.394 0.021) 0.394 4.293 ( 0.000 3.378 0.333) 3.395 4.301 ( 0.000 1.381 -0.727) 1.561 4.371 ( 0.000 7.210 -5.349) 8.977 4.410 ( 0.000 3.649 0.474) 3.680 4.442 ( 0.000 1.060 -1.265) 1.651 4.459 ( 0.000 0.074 -1.445) 1.447 4.994 ( 0.000 -3.406 -9.171) 9.783 5.016 ( 0.000 -2.202 -4.920) 5.390 5.036 ( 0.000 -3.882 -6.973) 7.980 5.098 ( 0.000 -7.161 -6.708) 9.812 5.262 ( 0.000 0.096 -11.547) 11.547 5.301 ( 0.000 -3.526 -9.823) 10.436 5.449 ( 0.000 2.093 10.800) 11.001 5.473 ( 0.000 -0.911 11.909) 11.944 5.511 ( 0.000 0.502 1.662) 1.737 5.520 ( 0.000 -0.754 1.059) 1.300 5.563 ( 0.000 -0.506 -0.265) 0.571 5.570 ( 0.000 -1.585 -3.735) 4.057 5.855 ( 0.000 4.766 6.971) 8.445 5.956 ( 0.000 -5.901 8.534) 10.376 6.000 ( 0.000 2.793 10.250) 10.623 6.048 ( 0.000 -2.166 11.664) 11.863 6.438 ( 0.000 -0.278 -0.246) 0.371 6.456 ( 0.000 -2.169 0.712) 2.282 6.500 ( 0.000 0.784 -6.646) 6.692 6.517 ( 0.000 -1.711 -4.501) 4.815 6.612 ( 0.000 1.797 -2.876) 3.391 6.666 ( 0.000 2.789 -1.065) 2.985 6.672 ( 0.000 -2.387 2.686) 3.594 6.727 ( 0.000 -3.028 -2.234) 3.763 6.765 ( 0.000 1.397 -3.261) 3.547 6.772 ( 0.000 0.404 0.945) 1.027 6.799 ( 0.000 2.076 -5.807) 6.167 6.823 ( 0.000 -0.657 -5.402) 5.442 6.939 ( 0.000 1.272 -6.432) 6.557 6.984 ( 0.000 -2.667 -7.326) 7.796 7.115 ( 0.000 0.390 -6.257) 6.269 7.132 ( 0.000 -0.920 -8.929) 8.976 7.142 ( 0.000 -1.135 -4.449) 4.592 7.152 ( 0.000 -1.617 -9.620) 9.755 7.270 ( 0.000 4.697 -4.873) 6.768 7.354 ( 0.000 -3.922 -6.744) 7.801 7.429 ( 0.000 2.623 -4.303) 5.039 7.447 ( 0.000 2.490 -4.198) 4.881 7.470 ( 0.000 -2.163 -7.518) 7.823 7.483 ( 0.000 4.808 -5.824) 7.552 7.513 ( 0.000 -3.888 -3.157) 5.008 7.576 ( 0.000 -4.187 -3.357) 5.367 7.770 ( 0.000 2.422 -0.805) 2.552 7.787 ( 0.000 3.908 -0.557) 3.947 7.801 ( 0.000 -1.261 1.882) 2.265 7.835 ( 0.000 -0.773 2.014) 2.157 7.943 ( 0.000 3.345 6.335) 7.164 7.976 ( 0.000 4.050 5.972) 7.216 8.012 ( 0.000 -3.286 1.563) 3.639 8.044 ( 0.000 -2.334 1.604) 2.832======================= Grid point 31 (16/28) =======================q-point: ( 0.33 0.33 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.963 ( 1.042 3.336 10.612) 11.173 0.998 ( 0.568 2.950 6.556) 7.212 1.010 ( -3.074 1.413 10.947) 11.458 1.032 ( -3.094 3.372 4.933) 6.728 1.084 ( -1.670 2.070 10.609) 10.938 1.112 ( -3.154 1.547 11.865) 12.374 1.157 ( -0.245 -3.847 8.988) 9.779 1.211 ( -2.952 -5.095 5.942) 8.365 1.236 ( 0.990 -0.867 5.069) 5.237 1.267 ( 0.511 0.370 6.184) 6.216 1.273 ( -0.879 -1.500 3.228) 3.666 1.309 ( -2.014 -1.969 5.965) 6.597 1.347 ( 0.670 -0.519 2.459) 2.601 1.373 ( -1.470 1.459 2.756) 3.447 1.381 ( 1.665 -2.289 3.315) 4.359 1.413 ( -0.385 -2.377 2.206) 3.266 1.487 ( 4.467 0.549 5.337) 6.982 1.508 ( 3.270 -1.435 5.392) 6.467 1.573 ( 0.282 2.674 3.520) 4.429 1.587 ( -0.793 0.901 3.431) 3.635 1.606 ( -1.527 0.378 3.191) 3.558 1.633 ( -0.282 1.884 1.219) 2.262 1.657 ( 3.612 -0.647 1.550) 3.984 1.670 ( 2.223 -0.336 2.828) 3.613 1.707 ( 0.385 0.727 1.874) 2.047 1.728 ( 1.556 0.370 5.388) 5.620 1.736 ( 1.563 -1.688 2.544) 3.430 1.758 ( 0.008 -2.163 5.038) 5.483 1.787 ( -1.350 0.387 2.985) 3.299 1.798 ( -1.781 -0.708 2.318) 3.008 1.843 ( 0.152 1.221 2.241) 2.556 1.854 ( -0.460 0.395 1.898) 1.993 1.930 ( 0.118 3.557 -1.573) 3.891 1.951 ( -1.032 4.098 0.036) 4.226 2.012 ( 2.958 -3.730 1.998) 5.163 2.038 ( 0.139 -2.538 4.381) 5.065 2.058 ( -0.124 -0.738 2.736) 2.836 2.072 ( -0.431 -1.920 3.517) 4.030 2.201 ( 2.665 1.039 2.826) 4.020 2.222 ( 2.267 -0.990 3.663) 4.420 2.277 ( -0.265 1.409 6.980) 7.126 2.287 ( -1.163 1.841 5.971) 6.356 2.308 ( -1.102 0.775 7.788) 7.904 2.312 ( -1.231 -0.520 5.331) 5.496 2.360 ( -0.185 -0.316 6.254) 6.265 2.369 ( -1.006 -0.604 4.562) 4.711 2.430 ( -0.514 1.950 9.919) 10.122 2.448 ( -1.591 0.511 10.264) 10.399 2.476 ( 0.432 0.650 5.587) 5.641 2.502 ( -1.311 -1.006 6.023) 6.245 2.544 ( 1.927 1.020 4.034) 4.586 2.561 ( -0.100 -0.306 3.148) 3.165 2.588 ( 2.254 1.207 2.824) 3.810 2.612 ( 0.959 0.146 1.018) 1.406 2.663 ( 0.232 -0.719 1.461) 1.644 2.669 ( 0.362 -1.519 1.937) 2.488 2.707 ( 1.000 1.834 -0.171) 2.096 2.733 ( 0.045 -0.416 0.809) 0.911 2.824 ( -1.407 1.189 -0.405) 1.886 2.857 ( -3.381 -1.790 1.085) 3.977 4.065 ( 3.686 1.968 -16.013) 16.549 4.079 ( 3.077 0.996 -16.835) 17.142 4.144 ( 0.159 2.718 -0.464) 2.762 4.168 ( -1.371 0.251 0.842) 1.629 4.308 ( 1.555 3.566 -0.361) 3.907 4.322 ( 1.802 0.493 -2.563) 3.171 4.358 ( -1.921 4.946 -1.603) 5.542 4.374 ( -2.004 2.308 -3.070) 4.333 4.458 ( 0.823 1.716 -1.730) 2.571 4.467 ( 0.225 1.341 -1.872) 2.313 4.992 ( 0.233 -3.031 -7.719) 8.297 5.009 ( -1.414 -2.838 -7.203) 7.870 5.029 ( 0.524 -5.124 -7.813) 9.358 5.058 ( -2.426 -6.577 -8.545) 11.053 5.260 ( 2.052 4.913 -11.069) 12.283 5.333 ( -1.297 -0.024 -14.911) 14.967 5.402 ( -0.815 0.327 13.338) 13.367 5.446 ( -2.438 -2.258 9.311) 9.886 5.505 ( -0.229 -1.362 1.826) 2.289 5.511 ( -0.688 -1.957 1.036) 2.319 5.562 ( 0.143 -0.010 0.191) 0.239 5.567 ( -0.139 -0.584 -0.763) 0.971 5.845 ( 0.173 1.382 8.950) 9.058 5.888 ( -3.380 -2.639 8.888) 9.869 6.048 ( 2.132 0.263 11.118) 11.324 6.067 ( 0.585 -1.371 10.844) 10.946 6.442 ( 0.307 -1.142 -0.752) 1.402 6.452 ( -0.342 -1.956 -0.651) 2.089 6.513 ( 0.698 -0.346 -4.857) 4.919 6.519 ( 0.092 -1.194 -4.111) 4.282 6.623 ( 0.891 3.001 -1.218) 3.359 6.649 ( -1.288 3.076 0.608) 3.390 6.690 ( 0.645 -2.395 -0.527) 2.536 6.702 ( -1.120 -1.744 -0.836) 2.235 6.740 ( -0.472 1.126 0.266) 1.249 6.753 ( -0.806 -0.566 0.351) 1.045 6.832 ( 1.347 1.550 -6.172) 6.504 6.842 ( 0.493 0.654 -6.749) 6.799 6.945 ( 0.704 0.302 -6.946) 6.988 6.971 ( -1.219 -2.018 -7.464) 7.827 7.102 ( -0.285 0.539 -5.918) 5.949 7.120 ( -1.455 0.251 -5.594) 5.785 7.129 ( 0.270 -1.312 -9.477) 9.571 7.144 ( -0.734 -1.480 -9.653) 9.794 7.315 ( 3.005 3.081 -5.319) 6.842 7.361 ( -0.608 -1.153 -6.403) 6.535 7.421 ( 0.049 1.010 -4.197) 4.317 7.430 ( -0.392 0.332 -4.931) 4.958 7.467 ( -0.132 1.989 -5.658) 5.999 7.491 ( -0.237 -0.364 -7.411) 7.424 7.519 ( -0.006 -3.086 -2.969) 4.282 7.533 ( -2.011 -2.652 -1.150) 3.522 7.769 ( 0.300 2.074 0.516) 2.159 7.780 ( -0.534 2.897 0.350) 2.966 7.814 ( 0.906 -0.902 -0.706) 1.460 7.832 ( -0.483 -0.852 -0.630) 1.164 7.966 ( 1.336 3.638 6.441) 7.517 7.980 ( 0.071 3.842 6.171) 7.270 8.037 ( 1.479 -2.637 2.020) 3.636 8.052 ( 0.227 -2.361 1.654) 2.892======================= Grid point 36 (17/28) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( 0.000 0.000 2.664) 2.664 1.103 ( 0.000 0.000 3.666) 3.666 1.181 ( 0.000 0.000 4.212) 4.212 1.183 ( 0.000 0.000 5.880) 5.880 1.203 ( 0.000 0.000 4.934) 4.934 1.252 ( 0.000 0.000 4.040) 4.040 1.278 ( 0.000 0.000 -2.105) 2.105 1.303 ( 0.000 0.000 0.295) 0.295 1.314 ( 0.000 0.000 2.325) 2.325 1.319 ( 0.000 0.000 4.552) 4.552 1.342 ( 0.000 0.000 1.132) 1.132 1.404 ( 0.000 0.000 0.951) 0.951 1.416 ( 0.000 0.000 3.851) 3.851 1.469 ( 0.000 0.000 3.135) 3.135 1.499 ( 0.000 0.000 2.206) 2.206 1.511 ( 0.000 0.000 3.123) 3.123 1.547 ( 0.000 0.000 3.137) 3.137 1.581 ( 0.000 0.000 5.693) 5.693 1.603 ( 0.000 0.000 1.004) 1.004 1.618 ( 0.000 0.000 -3.154) 3.154 1.621 ( 0.000 0.000 6.809) 6.809 1.635 ( 0.000 0.000 2.708) 2.708 1.681 ( 0.000 0.000 -1.359) 1.359 1.697 ( 0.000 0.000 -0.053) 0.053 1.723 ( 0.000 0.000 -1.361) 1.361 1.757 ( 0.000 0.000 2.269) 2.269 1.768 ( 0.000 0.000 0.784) 0.784 1.809 ( 0.000 0.000 0.865) 0.865 1.853 ( 0.000 0.000 0.208) 0.208 1.853 ( 0.000 0.000 0.465) 0.465 1.857 ( 0.000 0.000 1.838) 1.838 1.902 ( 0.000 0.000 5.192) 5.192 1.918 ( 0.000 0.000 1.621) 1.621 1.937 ( 0.000 0.000 -1.963) 1.963 2.000 ( 0.000 0.000 -2.050) 2.050 2.029 ( 0.000 0.000 -2.546) 2.546 2.060 ( 0.000 0.000 -4.215) 4.215 2.147 ( 0.000 0.000 -5.962) 5.962 2.176 ( 0.000 0.000 -1.500) 1.500 2.233 ( 0.000 0.000 1.497) 1.497 2.278 ( 0.000 0.000 -4.625) 4.625 2.325 ( 0.000 0.000 -5.404) 5.404 2.358 ( 0.000 0.000 6.426) 6.426 2.370 ( 0.000 0.000 -8.999) 8.999 2.437 ( 0.000 0.000 2.786) 2.786 2.447 ( 0.000 0.000 1.525) 1.525 2.488 ( 0.000 0.000 3.630) 3.630 2.501 ( 0.000 0.000 -0.010) 0.010 2.591 ( 0.000 0.000 5.005) 5.005 2.618 ( 0.000 0.000 7.350) 7.350 2.627 ( 0.000 0.000 3.676) 3.676 2.627 ( 0.000 0.000 12.777) 12.777 2.721 ( 0.000 0.000 4.329) 4.329 2.727 ( 0.000 0.000 5.208) 5.208 2.737 ( 0.000 0.000 12.636) 12.636 2.769 ( 0.000 0.000 7.318) 7.318 2.812 ( 0.000 0.000 7.551) 7.551 2.876 ( 0.000 0.000 11.828) 11.828 2.909 ( 0.000 0.000 5.776) 5.776 3.017 ( 0.000 0.000 5.490) 5.490 3.748 ( 0.000 0.000 -3.848) 3.848 3.835 ( 0.000 0.000 -0.111) 0.111 4.016 ( 0.000 0.000 -5.441) 5.441 4.035 ( 0.000 0.000 -15.550) 15.550 4.211 ( 0.000 0.000 1.621) 1.621 4.267 ( 0.000 0.000 2.176) 2.176 4.268 ( 0.000 0.000 -1.094) 1.094 4.331 ( 0.000 0.000 -11.627) 11.627 4.421 ( 0.000 0.000 0.820) 0.820 4.455 ( 0.000 0.000 2.973) 2.973 4.790 ( 0.000 0.000 -11.930) 11.930 4.845 ( 0.000 0.000 -12.000) 12.000 4.853 ( 0.000 0.000 -11.498) 11.498 4.878 ( 0.000 0.000 -5.780) 5.780 5.178 ( 0.000 0.000 -1.374) 1.374 5.220 ( 0.000 0.000 2.329) 2.329 5.551 ( 0.000 0.000 -1.692) 1.692 5.633 ( 0.000 0.000 11.143) 11.143 5.646 ( 0.000 0.000 6.015) 6.015 5.662 ( 0.000 0.000 2.872) 2.872 5.679 ( 0.000 0.000 5.286) 5.286 5.704 ( 0.000 0.000 9.143) 9.143 6.003 ( 0.000 0.000 8.365) 8.365 6.076 ( 0.000 0.000 0.162) 0.162 6.160 ( 0.000 0.000 -4.476) 4.476 6.225 ( 0.000 0.000 2.968) 2.968 6.248 ( 0.000 0.000 -10.969) 10.969 6.382 ( 0.000 0.000 -3.619) 3.619 6.479 ( 0.000 0.000 -0.295) 0.295 6.479 ( 0.000 0.000 1.087) 1.087 6.523 ( 0.000 0.000 -4.556) 4.556 6.601 ( 0.000 0.000 -5.600) 5.600 6.624 ( 0.000 0.000 -15.936) 15.936 6.629 ( 0.000 0.000 -2.079) 2.079 6.648 ( 0.000 0.000 -8.200) 8.200 6.672 ( 0.000 0.000 -1.657) 1.657 6.686 ( 0.000 0.000 -0.303) 0.303 6.799 ( 0.000 0.000 -3.539) 3.539 6.854 ( 0.000 0.000 -3.810) 3.810 6.861 ( 0.000 0.000 -5.369) 5.369 6.942 ( 0.000 0.000 -5.364) 5.364 7.022 ( 0.000 0.000 -0.191) 0.191 7.022 ( 0.000 0.000 -9.571) 9.571 7.116 ( 0.000 0.000 1.980) 1.980 7.189 ( 0.000 0.000 -1.969) 1.969 7.216 ( 0.000 0.000 -6.996) 6.996 7.244 ( 0.000 0.000 -7.163) 7.163 7.334 ( 0.000 0.000 -7.345) 7.345 7.389 ( 0.000 0.000 0.516) 0.516 7.421 ( 0.000 0.000 2.835) 2.835 7.507 ( 0.000 0.000 -2.955) 2.955 7.572 ( 0.000 0.000 -0.213) 0.213 7.696 ( 0.000 0.000 -1.240) 1.240 7.706 ( 0.000 0.000 1.460) 1.460 7.818 ( 0.000 0.000 -3.203) 3.203 7.824 ( 0.000 0.000 0.878) 0.878 8.112 ( 0.000 0.000 8.733) 8.733 8.119 ( 0.000 0.000 8.108) 8.108 8.143 ( 0.000 0.000 6.699) 6.699 8.152 ( 0.000 0.000 6.016) 6.016======================= Grid point 37 (18/28) =======================q-point: ( 0.33 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 0.985 0.000 2.409) 2.602 1.074 ( -1.810 0.000 2.854) 3.380 1.179 ( -0.357 0.000 8.577) 8.585 1.183 ( -0.448 0.000 7.540) 7.553 1.212 ( 1.103 0.000 2.942) 3.142 1.239 ( -1.046 0.000 3.124) 3.295 1.286 ( 0.979 0.000 0.924) 1.347 1.304 ( -0.393 0.000 3.435) 3.458 1.315 ( 0.747 0.000 1.009) 1.255 1.323 ( 0.196 0.000 3.706) 3.711 1.403 ( 2.288 0.000 2.371) 3.295 1.406 ( 0.075 0.000 3.355) 3.356 1.415 ( 1.264 0.000 1.393) 1.881 1.456 ( -2.215 0.000 2.047) 3.016 1.494 ( 0.029 0.000 1.866) 1.867 1.504 ( 0.232 0.000 4.522) 4.528 1.565 ( 0.079 0.000 0.591) 0.597 1.589 ( 4.580 0.000 0.525) 4.610 1.594 ( -2.304 0.000 1.560) 2.782 1.633 ( 1.746 0.000 2.990) 3.463 1.652 ( 1.430 0.000 3.638) 3.909 1.660 ( -0.765 0.000 2.028) 2.168 1.661 ( 2.157 0.000 -1.664) 2.724 1.705 ( -0.954 0.000 1.253) 1.575 1.739 ( -1.694 0.000 2.492) 3.014 1.747 ( 1.585 0.000 -4.129) 4.423 1.780 ( -5.448 0.000 -3.978) 6.746 1.799 ( 0.251 0.000 0.821) 0.858 1.805 ( -0.890 0.000 -0.123) 0.898 1.840 ( -0.532 0.000 2.128) 2.194 1.873 ( -0.312 0.000 1.099) 1.142 1.876 ( -0.474 0.000 2.072) 2.126 1.894 ( -0.853 0.000 2.194) 2.354 1.909 ( -1.081 0.000 2.666) 2.877 1.965 ( 2.034 0.000 -4.170) 4.640 2.042 ( -4.422 0.000 -4.733) 6.477 2.058 ( 1.816 0.000 -0.805) 1.986 2.094 ( 0.017 0.000 -1.553) 1.553 2.251 ( 0.899 0.000 -3.919) 4.020 2.254 ( 1.762 0.000 -1.773) 2.500 2.308 ( 2.737 0.000 0.294) 2.752 2.331 ( 0.829 0.000 -3.382) 3.482 2.343 ( -0.739 0.000 0.330) 0.810 2.365 ( -2.166 0.000 -0.085) 2.168 2.422 ( -0.700 0.000 5.478) 5.522 2.446 ( -1.253 0.000 3.307) 3.537 2.515 ( 2.914 0.000 -3.148) 4.290 2.525 ( 1.355 0.000 -0.849) 1.599 2.592 ( 0.066 0.000 2.761) 2.762 2.596 ( -0.348 0.000 1.230) 1.278 2.652 ( 1.564 0.000 11.339) 11.446 2.669 ( 0.831 0.000 9.402) 9.438 2.733 ( 1.283 0.000 4.992) 5.154 2.735 ( 0.493 0.000 7.357) 7.374 2.752 ( 1.322 0.000 8.678) 8.778 2.757 ( -0.731 0.000 7.338) 7.375 2.809 ( -0.130 0.000 6.668) 6.669 2.848 ( -2.432 0.000 9.779) 10.076 2.916 ( 1.198 0.000 9.317) 9.394 2.973 ( -3.261 0.000 8.012) 8.650 3.809 ( 4.398 0.000 -4.185) 6.071 3.864 ( 0.611 0.000 -2.160) 2.245 4.050 ( 1.336 0.000 -14.651) 14.712 4.060 ( 1.875 0.000 -8.395) 8.602 4.231 ( 3.023 0.000 0.623) 3.086 4.262 ( -0.650 0.000 1.045) 1.231 4.269 ( -1.090 0.000 -3.858) 4.009 4.345 ( 3.210 0.000 -4.400) 5.447 4.357 ( -5.422 0.000 1.385) 5.597 4.421 ( -2.722 0.000 0.331) 2.742 4.799 ( 0.639 0.000 -11.600) 11.618 4.816 ( -1.364 0.000 -10.380) 10.469 4.863 ( 0.313 0.000 -11.911) 11.915 4.872 ( -0.670 0.000 -8.388) 8.415 5.145 ( -1.880 0.000 1.760) 2.576 5.152 ( -3.321 0.000 4.991) 5.995 5.588 ( 2.395 0.000 0.173) 2.402 5.631 ( -0.972 0.000 3.981) 4.098 5.642 ( 0.080 0.000 8.253) 8.253 5.661 ( -1.177 0.000 6.075) 6.188 5.681 ( 1.443 0.000 5.744) 5.922 5.703 ( -0.410 0.000 7.961) 7.972 5.999 ( 0.181 0.000 6.632) 6.634 6.029 ( -2.440 0.000 2.336) 3.378 6.204 ( 2.150 0.000 -2.227) 3.095 6.228 ( -0.088 0.000 1.371) 1.374 6.295 ( 3.605 0.000 -10.502) 11.103 6.365 ( -1.869 0.000 -5.890) 6.180 6.479 ( 0.070 0.000 -0.080) 0.107 6.480 ( 0.088 0.000 0.460) 0.468 6.511 ( -0.475 0.000 -4.529) 4.554 6.538 ( -3.053 0.000 -8.374) 8.913 6.611 ( 0.802 0.000 -6.368) 6.418 6.632 ( -0.946 0.000 -7.799) 7.856 6.672 ( 0.076 0.000 -1.535) 1.537 6.678 ( -0.324 0.000 -1.644) 1.676 6.725 ( 3.599 0.000 -5.945) 6.949 6.784 ( -1.527 0.000 -4.597) 4.844 6.853 ( -0.022 0.000 -3.609) 3.609 6.857 ( -0.291 0.000 -4.072) 4.082 6.951 ( 0.869 0.000 -7.229) 7.281 6.981 ( -1.741 0.000 -8.675) 8.848 7.059 ( 1.453 0.000 1.170) 1.866 7.092 ( -1.629 0.000 3.361) 3.735 7.179 ( 0.683 0.000 -6.679) 6.714 7.212 ( -1.982 0.000 -7.436) 7.696 7.280 ( 3.378 0.000 -5.494) 6.450 7.333 ( -0.952 0.000 -7.022) 7.086 7.394 ( 0.494 0.000 0.378) 0.622 7.410 ( -0.800 0.000 1.153) 1.403 7.509 ( 0.337 0.000 -1.407) 1.446 7.536 ( -2.154 0.000 -0.368) 2.185 7.695 ( 0.004 0.000 -1.087) 1.087 7.699 ( -0.382 0.000 0.054) 0.386 7.832 ( 0.749 0.000 -0.766) 1.071 7.835 ( 0.519 0.000 0.826) 0.976 8.116 ( 0.309 0.000 8.088) 8.094 8.120 ( 0.004 0.000 7.824) 7.824 8.159 ( 0.843 0.000 6.346) 6.402 8.162 ( 0.505 0.000 6.096) 6.117======================= Grid point 39 (19/28) =======================q-point: ( 0.00 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.062 ( 0.000 2.663 1.757) 3.190 1.098 ( 0.000 -0.808 2.113) 2.262 1.178 ( 0.000 -0.109 4.714) 4.715 1.180 ( 0.000 -0.263 3.818) 3.827 1.247 ( 0.000 2.805 4.519) 5.319 1.259 ( 0.000 0.909 5.806) 5.877 1.268 ( 0.000 1.208 3.944) 4.125 1.302 ( 0.000 -1.749 3.700) 4.093 1.316 ( 0.000 -0.024 0.008) 0.025 1.323 ( 0.000 0.234 2.625) 2.635 1.334 ( 0.000 -0.354 1.294) 1.341 1.362 ( 0.000 -3.321 0.746) 3.403 1.439 ( 0.000 2.475 2.003) 3.184 1.472 ( 0.000 -0.718 2.129) 2.246 1.492 ( 0.000 -0.409 3.877) 3.899 1.496 ( 0.000 -0.542 3.854) 3.892 1.551 ( 0.000 0.935 0.472) 1.047 1.577 ( 0.000 -0.853 4.486) 4.566 1.581 ( 0.000 -1.024 3.912) 4.044 1.607 ( 0.000 -4.024 -0.803) 4.103 1.630 ( 0.000 1.018 -1.416) 1.744 1.643 ( 0.000 0.566 2.743) 2.801 1.680 ( 0.000 0.661 0.634) 0.916 1.692 ( 0.000 -0.444 -1.198) 1.278 1.705 ( 0.000 2.279 1.712) 2.851 1.745 ( 0.000 -1.463 3.672) 3.953 1.796 ( 0.000 -0.117 -0.415) 0.431 1.801 ( 0.000 -0.628 0.173) 0.651 1.838 ( 0.000 1.265 2.868) 3.134 1.858 ( 0.000 -0.111 1.306) 1.311 1.882 ( 0.000 1.245 0.616) 1.389 1.898 ( 0.000 -0.473 3.692) 3.722 1.934 ( 0.000 1.158 0.816) 1.416 1.964 ( 0.000 -2.381 -1.456) 2.791 1.982 ( 0.000 3.307 0.556) 3.353 2.042 ( 0.000 -2.456 -2.085) 3.222 2.068 ( 0.000 3.450 -5.279) 6.306 2.123 ( 0.000 -2.237 -4.607) 5.122 2.183 ( 0.000 1.315 -1.090) 1.708 2.225 ( 0.000 -1.866 -0.697) 1.992 2.250 ( 0.000 0.344 -5.563) 5.573 2.301 ( 0.000 -4.026 -3.674) 5.450 2.376 ( 0.000 2.251 -4.776) 5.280 2.390 ( 0.000 0.330 -2.437) 2.459 2.424 ( 0.000 0.663 2.518) 2.604 2.462 ( 0.000 -2.110 2.445) 3.230 2.469 ( 0.000 1.719 3.277) 3.701 2.498 ( 0.000 -0.945 1.977) 2.191 2.606 ( 0.000 1.343 4.896) 5.077 2.624 ( 0.000 -0.426 4.192) 4.214 2.650 ( 0.000 2.521 7.932) 8.323 2.657 ( 0.000 1.893 9.867) 10.047 2.726 ( 0.000 0.535 6.164) 6.187 2.729 ( 0.000 0.084 5.845) 5.846 2.761 ( 0.000 -0.459 8.172) 8.185 2.766 ( 0.000 0.950 12.145) 12.182 2.797 ( 0.000 0.167 7.341) 7.343 2.847 ( 0.000 -2.899 11.257) 11.624 2.936 ( 0.000 2.605 5.581) 6.159 2.991 ( 0.000 -2.642 5.368) 5.983 3.767 ( 0.000 1.790 -3.157) 3.630 3.806 ( 0.000 -2.269 -1.585) 2.767 4.064 ( 0.000 3.206 -8.426) 9.015 4.071 ( 0.000 2.259 -13.723) 13.908 4.267 ( 0.000 4.504 -1.173) 4.655 4.285 ( 0.000 0.314 -3.023) 3.039 4.333 ( 0.000 2.819 3.003) 4.119 4.358 ( 0.000 2.766 -5.396) 6.063 4.423 ( 0.000 2.307 -0.207) 2.316 4.461 ( 0.000 -1.183 2.365) 2.644 4.780 ( 0.000 1.016 -9.746) 9.799 4.825 ( 0.000 -2.272 -10.494) 10.737 4.853 ( 0.000 0.929 -10.068) 10.110 4.892 ( 0.000 -0.844 -9.539) 9.576 5.152 ( 0.000 -0.541 3.236) 3.281 5.191 ( 0.000 -2.916 3.109) 4.262 5.567 ( 0.000 -0.976 1.186) 1.536 5.580 ( 0.000 -4.337 2.439) 4.976 5.616 ( 0.000 0.004 3.263) 3.263 5.638 ( 0.000 -1.006 7.253) 7.322 5.639 ( 0.000 -1.308 6.189) 6.326 5.677 ( 0.000 -3.331 7.700) 8.389 6.032 ( 0.000 2.747 6.317) 6.888 6.092 ( 0.000 1.374 -2.818) 3.135 6.101 ( 0.000 -4.681 2.487) 5.300 6.131 ( 0.000 -3.249 -7.784) 8.435 6.365 ( 0.000 5.618 -2.993) 6.366 6.404 ( 0.000 2.412 -3.025) 3.870 6.441 ( 0.000 -3.152 -0.231) 3.160 6.460 ( 0.000 -2.409 -0.324) 2.431 6.514 ( 0.000 0.251 -3.933) 3.941 6.554 ( 0.000 -3.396 -8.678) 9.319 6.603 ( 0.000 -0.225 -4.866) 4.872 6.618 ( 0.000 -1.382 -7.635) 7.759 6.664 ( 0.000 1.581 -7.768) 7.927 6.684 ( 0.000 -0.470 -3.360) 3.393 6.749 ( 0.000 4.366 -1.100) 4.502 6.797 ( 0.000 -0.803 -3.106) 3.209 6.860 ( 0.000 0.473 -2.874) 2.912 6.866 ( 0.000 0.065 -3.212) 3.213 6.946 ( 0.000 0.973 -5.042) 5.135 6.988 ( 0.000 -2.736 -5.241) 5.912 7.014 ( 0.000 -0.491 -8.601) 8.615 7.038 ( 0.000 -4.265 -1.101) 4.405 7.202 ( 0.000 0.997 -2.582) 2.767 7.214 ( 0.000 -0.137 -4.984) 4.986 7.281 ( 0.000 1.872 -6.248) 6.523 7.314 ( 0.000 -1.697 -7.013) 7.215 7.438 ( 0.000 3.612 2.503) 4.394 7.451 ( 0.000 3.371 -0.037) 3.371 7.489 ( 0.000 -2.010 -0.022) 2.011 7.527 ( 0.000 -3.749 -0.955) 3.868 7.750 ( 0.000 3.743 -0.158) 3.746 7.753 ( 0.000 4.185 -0.401) 4.204 7.806 ( 0.000 -1.681 -2.338) 2.879 7.811 ( 0.000 -1.682 0.573) 1.777 8.122 ( 0.000 0.891 8.352) 8.399 8.133 ( 0.000 1.151 7.442) 7.530 8.137 ( 0.000 -0.585 7.364) 7.387 8.150 ( 0.000 -0.470 6.348) 6.365======================= Grid point 40 (20/28) =======================q-point: ( 0.33 0.33 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 55Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( 0.345 1.772 1.485) 2.337 1.081 ( -1.076 0.182 1.642) 1.971 1.178 ( 0.170 0.577 7.026) 7.052 1.191 ( -0.496 -0.515 5.325) 5.373 1.236 ( 0.498 2.639 4.819) 5.516 1.255 ( -0.513 1.367 2.504) 2.899 1.298 ( 1.435 0.160 5.672) 5.852 1.304 ( 0.365 -0.971 2.705) 2.897 1.318 ( 0.189 0.271 1.341) 1.381 1.322 ( 0.190 1.359 3.027) 3.324 1.377 ( 1.658 -2.362 1.435) 3.223 1.382 ( 2.958 -1.380 3.409) 4.719 1.417 ( -0.723 0.781 2.034) 2.296 1.433 ( -2.764 -1.373 2.768) 4.146 1.465 ( -1.749 -1.841 3.932) 4.681 1.480 ( -1.796 -2.786 4.153) 5.313 1.582 ( 1.269 1.589 2.221) 3.011 1.599 ( 3.077 1.019 -1.706) 3.663 1.612 ( 1.699 -0.684 4.171) 4.556 1.621 ( -0.265 0.791 1.031) 1.326 1.643 ( 0.132 -0.882 -1.002) 1.341 1.656 ( 0.192 -1.630 2.201) 2.745 1.679 ( 1.264 1.920 1.322) 2.652 1.700 ( 2.920 -0.173 -0.474) 2.963 1.737 ( 1.101 1.178 0.690) 1.754 1.753 ( 0.095 0.029 1.225) 1.229 1.797 ( -1.402 0.625 -2.734) 3.135 1.805 ( -1.488 -0.179 -1.964) 2.470 1.817 ( -2.788 1.650 2.070) 3.844 1.836 ( -3.284 0.136 0.734) 3.368 1.855 ( -1.097 -0.283 0.890) 1.441 1.861 ( -0.498 -1.264 2.487) 2.834 1.914 ( 0.703 1.007 1.492) 1.932 1.934 ( -0.732 0.818 -0.040) 1.099 1.988 ( -1.187 -0.747 -4.404) 4.622 2.000 ( 0.427 -0.460 -1.960) 2.058 2.061 ( -1.597 -0.276 -1.769) 2.399 2.072 ( -0.781 -1.344 -0.292) 1.581 2.224 ( 2.469 0.273 -2.858) 3.787 2.256 ( 0.677 -2.053 -1.248) 2.496 2.316 ( 2.858 1.165 -2.117) 3.743 2.342 ( -0.280 -0.484 -0.053) 0.562 2.354 ( -0.180 0.699 -2.469) 2.573 2.356 ( 0.062 -0.212 -1.792) 1.805 2.438 ( -0.805 1.972 4.764) 5.219 2.459 ( -1.419 0.403 4.357) 4.600 2.500 ( 2.717 -0.588 -2.289) 3.601 2.509 ( 1.730 -1.247 -1.531) 2.626 2.597 ( -0.235 0.410 2.242) 2.292 2.602 ( -0.651 0.129 1.867) 1.981 2.675 ( 0.921 1.724 9.771) 9.964 2.685 ( 0.516 0.983 9.148) 9.215 2.731 ( 0.495 -0.026 4.952) 4.977 2.738 ( 0.090 -0.286 6.070) 6.077 2.766 ( 1.455 1.605 9.481) 9.726 2.785 ( 1.540 2.237 9.288) 9.677 2.799 ( 0.045 -0.889 9.063) 9.107 2.829 ( -1.417 -1.745 9.055) 9.330 2.915 ( -0.888 0.537 8.172) 8.237 2.949 ( -3.061 -2.305 7.578) 8.492 3.828 ( 4.166 1.682 -3.386) 5.626 3.856 ( 2.432 -1.012 -2.575) 3.683 4.067 ( 0.232 1.152 -13.491) 13.542 4.077 ( -0.235 0.641 -12.434) 12.452 4.264 ( 0.327 2.671 -1.149) 2.926 4.272 ( -0.790 0.804 -2.419) 2.669 4.345 ( 0.893 5.057 2.315) 5.633 4.389 ( 2.576 3.097 -2.854) 4.936 4.390 ( -2.586 3.552 1.053) 4.518 4.442 ( -1.625 0.346 0.092) 1.664 4.787 ( 0.600 0.115 -9.447) 9.466 4.808 ( -1.288 -0.922 -9.881) 10.008 4.837 ( -0.522 -1.465 -8.838) 8.974 4.858 ( -2.432 -2.417 -8.779) 9.425 5.144 ( 0.285 1.510 3.408) 3.739 5.171 ( -1.618 -0.220 1.373) 2.133 5.561 ( 0.001 -1.870 2.335) 2.991 5.571 ( -0.548 -3.876 2.881) 4.860 5.616 ( -0.248 -1.263 5.112) 5.272 5.624 ( -0.883 -1.190 5.924) 6.107 5.646 ( 0.806 -2.730 6.262) 6.878 5.665 ( -0.820 -3.904 7.003) 8.059 6.011 ( -0.644 0.784 4.607) 4.717 6.025 ( -2.001 -0.691 2.211) 3.061 6.175 ( 2.470 -1.262 -1.125) 2.993 6.180 ( 2.077 -1.320 -2.756) 3.695 6.380 ( 1.212 4.909 -4.344) 6.666 6.401 ( -0.411 2.852 -3.415) 4.468 6.448 ( 0.497 -2.762 -0.149) 2.811 6.458 ( -0.251 -2.448 -0.115) 2.463 6.512 ( 0.127 0.744 -6.063) 6.110 6.535 ( -1.587 -0.725 -9.748) 9.903 6.601 ( 0.231 -0.645 -6.439) 6.476 6.612 ( -0.497 -1.423 -7.234) 7.389 6.662 ( 0.091 0.094 -5.310) 5.311 6.673 ( -0.781 -0.687 -3.707) 3.850 6.758 ( 0.882 2.188 -2.717) 3.598 6.782 ( -1.074 -0.385 -3.634) 3.809 6.863 ( 0.193 0.645 -2.544) 2.632 6.866 ( -0.089 0.449 -2.628) 2.667 6.949 ( 0.457 0.197 -5.127) 5.152 6.968 ( -1.133 -1.302 -6.069) 6.309 7.025 ( 0.451 -1.866 -4.485) 4.878 7.034 ( -0.397 -3.306 -2.080) 3.926 7.192 ( 0.228 1.056 -4.625) 4.749 7.209 ( -0.949 -0.608 -5.095) 5.218 7.306 ( 1.952 1.705 -6.046) 6.578 7.330 ( 0.330 -0.702 -6.954) 6.997 7.428 ( -0.524 2.791 2.258) 3.628 7.434 ( -0.968 2.155 1.350) 2.721 7.488 ( 0.020 -1.633 -0.983) 1.906 7.504 ( -1.428 -2.649 -1.009) 3.174 7.743 ( -0.289 3.226 -1.109) 3.424 7.743 ( -0.299 3.129 -1.152) 3.348 7.824 ( 0.777 -0.902 0.250) 1.217 7.826 ( 0.638 -0.992 1.205) 1.686 8.123 ( 0.227 0.578 6.951) 6.979 8.127 ( -0.055 0.364 6.547) 6.557 8.160 ( 0.928 0.144 7.492) 7.551 8.163 ( 0.602 -0.071 7.047) 7.073======================= Grid point 45 (21/28) =======================q-point: ( 0.00 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.000 0.000 -0.434) 0.434 1.081 ( 0.000 0.000 -3.123) 3.123 1.223 ( 0.000 0.000 -0.728) 0.728 1.260 ( 0.000 0.000 2.208) 2.208 1.284 ( 0.000 0.000 -0.289) 0.289 1.296 ( 0.000 0.000 -0.903) 0.903 1.313 ( 0.000 0.000 -0.026) 0.026 1.324 ( 0.000 0.000 5.179) 5.179 1.333 ( 0.000 0.000 4.509) 4.509 1.378 ( 0.000 0.000 4.040) 4.040 1.408 ( 0.000 0.000 1.157) 1.157 1.424 ( 0.000 0.000 0.717) 0.717 1.454 ( 0.000 0.000 1.028) 1.028 1.470 ( 0.000 0.000 -5.006) 5.006 1.487 ( 0.000 0.000 3.322) 3.322 1.536 ( 0.000 0.000 -0.545) 0.545 1.554 ( 0.000 0.000 2.546) 2.546 1.572 ( 0.000 0.000 -1.209) 1.209 1.582 ( 0.000 0.000 -7.242) 7.242 1.614 ( 0.000 0.000 -7.626) 7.626 1.678 ( 0.000 0.000 3.507) 3.507 1.690 ( 0.000 0.000 -3.281) 3.281 1.701 ( 0.000 0.000 4.026) 4.026 1.725 ( 0.000 0.000 3.252) 3.252 1.725 ( 0.000 0.000 2.780) 2.780 1.741 ( 0.000 0.000 -4.579) 4.579 1.795 ( 0.000 0.000 1.460) 1.460 1.815 ( 0.000 0.000 -0.642) 0.642 1.827 ( 0.000 0.000 1.037) 1.037 1.870 ( 0.000 0.000 1.205) 1.205 1.871 ( 0.000 0.000 1.558) 1.558 1.940 ( 0.000 0.000 -2.971) 2.971 1.949 ( 0.000 0.000 2.361) 2.361 1.960 ( 0.000 0.000 1.982) 1.982 1.976 ( 0.000 0.000 -0.019) 0.019 1.983 ( 0.000 0.000 0.785) 0.785 2.046 ( 0.000 0.000 1.760) 1.760 2.061 ( 0.000 0.000 -1.496) 1.496 2.130 ( 0.000 0.000 -1.937) 1.937 2.152 ( 0.000 0.000 -3.033) 3.033 2.202 ( 0.000 0.000 -6.194) 6.194 2.203 ( 0.000 0.000 -5.207) 5.207 2.271 ( 0.000 0.000 0.392) 0.392 2.385 ( 0.000 0.000 -2.944) 2.944 2.460 ( 0.000 0.000 0.273) 0.273 2.485 ( 0.000 0.000 -0.722) 0.722 2.498 ( 0.000 0.000 2.252) 2.252 2.538 ( 0.000 0.000 1.158) 1.158 2.669 ( 0.000 0.000 2.872) 2.872 2.690 ( 0.000 0.000 2.213) 2.213 2.775 ( 0.000 0.000 6.571) 6.571 2.812 ( 0.000 0.000 3.761) 3.761 2.817 ( 0.000 0.000 4.904) 4.904 2.826 ( 0.000 0.000 3.413) 3.413 2.898 ( 0.000 0.000 5.355) 5.355 2.934 ( 0.000 0.000 5.612) 5.612 3.016 ( 0.000 0.000 10.527) 10.527 3.033 ( 0.000 0.000 5.232) 5.232 3.092 ( 0.000 0.000 7.434) 7.434 3.115 ( 0.000 0.000 2.940) 2.940 3.702 ( 0.000 0.000 -13.251) 13.251 3.759 ( 0.000 0.000 -15.564) 15.564 3.839 ( 0.000 0.000 10.351) 10.351 3.963 ( 0.000 0.000 8.743) 8.743 4.230 ( 0.000 0.000 2.607) 2.607 4.268 ( 0.000 0.000 1.412) 1.412 4.306 ( 0.000 0.000 0.676) 0.676 4.325 ( 0.000 0.000 11.294) 11.294 4.422 ( 0.000 0.000 0.028) 0.028 4.516 ( 0.000 0.000 1.923) 1.923 4.617 ( 0.000 0.000 -2.739) 2.739 4.634 ( 0.000 0.000 -8.544) 8.544 4.637 ( 0.000 0.000 -7.479) 7.479 4.739 ( 0.000 0.000 -8.113) 8.113 5.306 ( 0.000 0.000 9.370) 9.370 5.356 ( 0.000 0.000 7.197) 7.197 5.357 ( 0.000 0.000 -16.378) 16.378 5.497 ( 0.000 0.000 -20.223) 20.223 5.764 ( 0.000 0.000 2.947) 2.947 5.789 ( 0.000 0.000 7.011) 7.011 5.846 ( 0.000 0.000 3.453) 3.453 5.850 ( 0.000 0.000 5.844) 5.844 5.928 ( 0.000 0.000 -5.750) 5.750 6.015 ( 0.000 0.000 -3.284) 3.284 6.061 ( 0.000 0.000 -2.725) 2.725 6.166 ( 0.000 0.000 0.091) 0.091 6.179 ( 0.000 0.000 -5.359) 5.359 6.331 ( 0.000 0.000 -8.443) 8.443 6.352 ( 0.000 0.000 1.180) 1.180 6.446 ( 0.000 0.000 -2.617) 2.617 6.487 ( 0.000 0.000 -2.817) 2.817 6.506 ( 0.000 0.000 -3.288) 3.288 6.554 ( 0.000 0.000 2.877) 2.877 6.569 ( 0.000 0.000 -1.875) 1.875 6.573 ( 0.000 0.000 3.798) 3.798 6.643 ( 0.000 0.000 -2.317) 2.317 6.683 ( 0.000 0.000 -0.829) 0.829 6.699 ( 0.000 0.000 -3.714) 3.714 6.721 ( 0.000 0.000 -6.605) 6.605 6.838 ( 0.000 0.000 -7.612) 7.612 6.885 ( 0.000 0.000 4.968) 4.968 6.928 ( 0.000 0.000 1.822) 1.822 6.990 ( 0.000 0.000 -3.218) 3.218 7.040 ( 0.000 0.000 -5.049) 5.049 7.143 ( 0.000 0.000 -1.859) 1.859 7.152 ( 0.000 0.000 -2.019) 2.019 7.204 ( 0.000 0.000 0.224) 0.224 7.208 ( 0.000 0.000 -4.264) 4.264 7.396 ( 0.000 0.000 0.050) 0.050 7.441 ( 0.000 0.000 -3.079) 3.079 7.510 ( 0.000 0.000 4.683) 4.683 7.584 ( 0.000 0.000 0.692) 0.692 7.694 ( 0.000 0.000 0.722) 0.722 7.757 ( 0.000 0.000 -2.405) 2.405 7.770 ( 0.000 0.000 4.005) 4.005 7.849 ( 0.000 0.000 0.904) 0.904 8.249 ( 0.000 0.000 4.306) 4.306 8.251 ( 0.000 0.000 4.542) 4.542 8.257 ( 0.000 0.000 3.870) 3.870 8.258 ( 0.000 0.000 3.767) 3.767======================= Grid point 46 (22/28) =======================q-point: ( 0.33 0.00 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.056 ( 0.179 0.000 -1.025) 1.040 1.069 ( -0.826 0.000 -2.369) 2.509 1.212 ( -0.133 0.000 -1.484) 1.490 1.230 ( -1.581 0.000 -0.293) 1.608 1.296 ( 0.382 0.000 -0.412) 0.562 1.297 ( 0.125 0.000 -1.006) 1.014 1.335 ( 0.748 0.000 4.617) 4.677 1.344 ( 0.398 0.000 4.502) 4.519 1.363 ( 2.808 0.000 0.247) 2.819 1.387 ( 2.706 0.000 0.426) 2.739 1.414 ( -1.244 0.000 4.898) 5.054 1.432 ( 0.926 0.000 0.992) 1.357 1.441 ( 0.876 0.000 -0.570) 1.045 1.468 ( -2.122 0.000 0.660) 2.222 1.470 ( -0.277 0.000 -3.162) 3.174 1.521 ( -6.062 0.000 -10.923) 12.492 1.541 ( -0.039 0.000 -1.128) 1.129 1.545 ( 0.109 0.000 -0.722) 0.730 1.581 ( -0.427 0.000 -1.478) 1.539 1.595 ( -0.028 0.000 1.889) 1.890 1.666 ( -0.548 0.000 -1.110) 1.238 1.669 ( -0.612 0.000 -2.626) 2.697 1.708 ( 0.516 0.000 2.743) 2.792 1.717 ( -0.184 0.000 2.388) 2.395 1.748 ( 0.680 0.000 -1.905) 2.023 1.750 ( 0.845 0.000 1.882) 2.063 1.777 ( -0.751 0.000 1.665) 1.826 1.801 ( -2.693 0.000 1.915) 3.304 1.836 ( 1.851 0.000 1.647) 2.477 1.864 ( -0.022 0.000 0.110) 0.112 1.888 ( 2.050 0.000 0.978) 2.271 1.914 ( -0.314 0.000 1.481) 1.513 1.933 ( -0.885 0.000 0.618) 1.079 1.951 ( -1.992 0.000 -0.575) 2.074 1.958 ( 0.560 0.000 2.622) 2.681 1.980 ( -1.158 0.000 0.387) 1.221 2.056 ( 0.302 0.000 0.250) 0.392 2.066 ( 0.437 0.000 -0.577) 0.724 2.170 ( 1.471 0.000 -1.877) 2.384 2.191 ( -0.487 0.000 -2.933) 2.973 2.231 ( 5.164 0.000 -3.328) 6.143 2.269 ( 1.775 0.000 -4.343) 4.691 2.328 ( 3.717 0.000 -1.233) 3.916 2.361 ( -1.321 0.000 -0.920) 1.610 2.460 ( 0.890 0.000 -0.131) 0.900 2.481 ( 0.301 0.000 -1.320) 1.354 2.526 ( -0.865 0.000 2.258) 2.418 2.528 ( 0.536 0.000 2.850) 2.900 2.616 ( -3.159 0.000 1.180) 3.372 2.631 ( -2.725 0.000 1.199) 2.977 2.795 ( 0.209 0.000 3.454) 3.460 2.796 ( -0.257 0.000 3.553) 3.563 2.836 ( 1.198 0.000 3.685) 3.875 2.845 ( 0.242 0.000 3.558) 3.567 2.903 ( 0.589 0.000 6.094) 6.122 2.920 ( -0.834 0.000 5.535) 5.598 2.984 ( -0.459 0.000 7.900) 7.913 3.016 ( -3.384 0.000 5.983) 6.873 3.096 ( 2.974 0.000 6.710) 7.340 3.138 ( -0.425 0.000 5.717) 5.733 3.698 ( 0.685 0.000 -12.902) 12.920 3.736 ( -1.957 0.000 -15.724) 15.845 3.896 ( 3.392 0.000 8.007) 8.696 3.949 ( -1.303 0.000 7.635) 7.745 4.226 ( 0.781 0.000 0.568) 0.966 4.280 ( -2.733 0.000 -0.361) 2.757 4.298 ( 3.277 0.000 3.715) 4.954 4.375 ( -3.180 0.000 1.920) 3.715 4.412 ( 5.086 0.000 10.208) 11.405 4.492 ( -2.070 0.000 5.186) 5.584 4.630 ( 0.329 0.000 -3.310) 3.326 4.635 ( -0.233 0.000 -5.922) 5.926 4.646 ( 1.766 0.000 -8.797) 8.973 4.703 ( -2.746 0.000 -8.403) 8.840 5.293 ( -0.435 0.000 7.285) 7.298 5.315 ( -2.380 0.000 6.641) 7.054 5.427 ( 4.947 0.000 -14.399) 15.225 5.506 ( -0.943 0.000 -16.670) 16.696 5.762 ( 0.013 0.000 4.117) 4.117 5.776 ( -1.184 0.000 6.579) 6.684 5.827 ( -0.402 0.000 4.629) 4.647 5.837 ( -0.691 0.000 3.531) 3.598 5.968 ( 3.060 0.000 -5.169) 6.007 6.033 ( -2.289 0.000 -2.945) 3.730 6.064 ( 3.507 0.000 -4.593) 5.779 6.144 ( -3.003 0.000 -6.602) 7.253 6.196 ( 2.562 0.000 0.732) 2.665 6.269 ( -3.539 0.000 -0.220) 3.546 6.413 ( 2.875 0.000 -3.509) 4.536 6.443 ( -0.282 0.000 -2.562) 2.577 6.487 ( 0.385 0.000 -1.905) 1.944 6.507 ( 0.126 0.000 -3.543) 3.545 6.519 ( -1.126 0.000 -2.539) 2.778 6.527 ( -2.196 0.000 0.817) 2.343 6.631 ( 1.852 0.000 1.213) 2.214 6.648 ( 0.165 0.000 -1.367) 1.377 6.676 ( -0.253 0.000 -1.266) 1.291 6.685 ( -0.999 0.000 -3.010) 3.171 6.744 ( 1.973 0.000 -5.318) 5.672 6.803 ( -2.897 0.000 -4.095) 5.016 6.885 ( 0.966 0.000 1.230) 1.564 6.914 ( -1.193 0.000 1.223) 1.709 7.038 ( 2.685 0.000 -2.664) 3.783 7.052 ( 0.877 0.000 -3.986) 4.082 7.119 ( -1.749 0.000 -2.177) 2.793 7.123 ( -1.493 0.000 -1.527) 2.136 7.213 ( 0.592 0.000 -1.331) 1.456 7.220 ( 0.258 0.000 -3.373) 3.383 7.381 ( -0.826 0.000 -1.398) 1.624 7.392 ( -2.176 0.000 -2.412) 3.249 7.538 ( 1.114 0.000 2.979) 3.180 7.559 ( -1.248 0.000 1.696) 2.106 7.695 ( 0.323 0.000 0.777) 0.842 7.714 ( -1.372 0.000 0.669) 1.526 7.838 ( 2.586 0.000 1.380) 2.931 7.862 ( 0.377 0.000 1.265) 1.320 8.236 ( -0.350 0.000 3.588) 3.605 8.236 ( -0.367 0.000 3.666) 3.684 8.278 ( 0.715 0.000 4.288) 4.348 8.278 ( 0.698 0.000 4.355) 4.410======================= Grid point 48 (23/28) =======================q-point: ( 0.00 0.33 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.067 ( 0.000 0.911 -1.252) 1.548 1.079 ( 0.000 -0.278 -2.589) 2.604 1.224 ( 0.000 0.193 0.163) 0.253 1.237 ( 0.000 -1.342 1.634) 2.115 1.289 ( 0.000 0.463 -2.191) 2.239 1.294 ( 0.000 -0.118 -1.375) 1.380 1.345 ( 0.000 1.273 3.738) 3.949 1.351 ( 0.000 2.091 2.209) 3.042 1.352 ( 0.000 2.288 4.444) 4.998 1.389 ( 0.000 0.503 3.344) 3.381 1.391 ( 0.000 -1.277 1.800) 2.207 1.397 ( 0.000 -2.173 2.685) 3.454 1.456 ( 0.000 0.333 -0.874) 0.935 1.468 ( 0.000 0.217 -4.588) 4.593 1.480 ( 0.000 -0.151 2.075) 2.080 1.516 ( 0.000 -1.880 -1.571) 2.450 1.551 ( 0.000 0.098 0.613) 0.621 1.572 ( 0.000 -0.079 -1.982) 1.984 1.595 ( 0.000 -1.599 0.434) 1.657 1.602 ( 0.000 -1.015 -2.906) 3.078 1.641 ( 0.000 0.782 -4.730) 4.795 1.682 ( 0.000 -2.344 -2.557) 3.469 1.697 ( 0.000 0.500 3.439) 3.475 1.705 ( 0.000 -0.346 3.918) 3.933 1.738 ( 0.000 1.616 0.758) 1.785 1.760 ( 0.000 0.065 -2.020) 2.021 1.810 ( 0.000 0.368 2.971) 2.994 1.818 ( 0.000 -0.351 2.046) 2.076 1.856 ( 0.000 1.633 0.285) 1.658 1.870 ( 0.000 0.084 0.836) 0.840 1.917 ( 0.000 4.105 1.283) 4.301 1.949 ( 0.000 0.856 -0.408) 0.948 1.958 ( 0.000 0.807 0.509) 0.954 1.962 ( 0.000 -1.775 1.891) 2.593 1.976 ( 0.000 1.446 1.399) 2.012 1.993 ( 0.000 1.498 -1.370) 2.030 2.019 ( 0.000 -1.553 -0.666) 1.690 2.040 ( 0.000 -2.473 -2.628) 3.609 2.104 ( 0.000 -2.019 -3.469) 4.014 2.132 ( 0.000 -2.436 -2.651) 3.601 2.174 ( 0.000 0.426 -4.195) 4.217 2.210 ( 0.000 -1.455 -2.540) 2.927 2.295 ( 0.000 2.770 -2.728) 3.887 2.353 ( 0.000 -2.888 -3.419) 4.475 2.451 ( 0.000 -0.074 0.442) 0.448 2.467 ( 0.000 -1.441 -0.239) 1.460 2.519 ( 0.000 1.551 1.866) 2.426 2.539 ( 0.000 -0.360 1.308) 1.357 2.686 ( 0.000 1.150 2.843) 3.066 2.694 ( 0.000 0.185 2.531) 2.538 2.798 ( 0.000 1.047 5.140) 5.245 2.803 ( 0.000 -0.085 4.238) 4.239 2.836 ( 0.000 1.106 3.901) 4.055 2.842 ( 0.000 0.966 4.121) 4.233 2.921 ( 0.000 2.508 7.072) 7.504 2.957 ( 0.000 0.565 6.611) 6.635 3.009 ( 0.000 0.757 9.794) 9.823 3.045 ( 0.000 1.024 4.754) 4.863 3.064 ( 0.000 -2.435 7.231) 7.630 3.089 ( 0.000 -2.392 3.141) 3.948 3.707 ( 0.000 0.668 -12.994) 13.011 3.729 ( 0.000 -1.655 -12.471) 12.580 3.907 ( 0.000 4.638 8.425) 9.618 3.965 ( 0.000 -1.099 9.908) 9.969 4.285 ( 0.000 3.827 3.551) 5.221 4.295 ( 0.000 2.570 2.561) 3.628 4.317 ( 0.000 4.259 -0.239) 4.266 4.384 ( 0.000 -3.474 0.754) 3.555 4.454 ( 0.000 6.258 5.311) 8.208 4.515 ( 0.000 -1.177 1.747) 2.107 4.641 ( 0.000 2.131 -1.518) 2.616 4.647 ( 0.000 1.130 -6.595) 6.691 4.659 ( 0.000 2.168 -6.903) 7.236 4.708 ( 0.000 -2.780 -8.460) 8.905 5.299 ( 0.000 -0.362 7.267) 7.276 5.314 ( 0.000 -2.197 3.895) 4.472 5.415 ( 0.000 3.514 -14.693) 15.108 5.465 ( 0.000 -2.719 -17.059) 17.274 5.683 ( 0.000 -3.368 3.043) 4.539 5.756 ( 0.000 -8.649 3.292) 9.254 5.769 ( 0.000 -1.356 5.529) 5.693 5.791 ( 0.000 -3.624 1.240) 3.830 5.935 ( 0.000 1.551 -1.610) 2.235 5.988 ( 0.000 -2.845 -2.766) 3.968 6.082 ( 0.000 0.814 -1.142) 1.403 6.091 ( 0.000 -1.062 -1.676) 1.984 6.283 ( 0.000 3.244 -3.468) 4.749 6.311 ( 0.000 -1.249 -7.487) 7.591 6.363 ( 0.000 2.408 -1.310) 2.741 6.442 ( 0.000 -4.591 -1.141) 4.730 6.465 ( 0.000 1.737 -2.381) 2.948 6.493 ( 0.000 -0.851 -4.405) 4.486 6.532 ( 0.000 -1.268 0.534) 1.376 6.533 ( 0.000 -1.541 -1.591) 2.215 6.609 ( 0.000 2.999 2.601) 3.970 6.661 ( 0.000 -2.138 0.522) 2.201 6.685 ( 0.000 2.125 -2.800) 3.515 6.701 ( 0.000 0.095 -3.199) 3.201 6.759 ( 0.000 3.135 -5.375) 6.223 6.818 ( 0.000 -2.703 -5.288) 5.939 6.866 ( 0.000 0.610 -0.779) 0.989 6.918 ( 0.000 -4.544 -2.998) 5.444 6.959 ( 0.000 2.315 1.998) 3.058 7.017 ( 0.000 -3.540 -1.582) 3.878 7.152 ( 0.000 1.552 -1.803) 2.379 7.167 ( 0.000 1.747 -0.549) 1.831 7.192 ( 0.000 -1.285 -4.341) 4.527 7.205 ( 0.000 -0.892 -1.406) 1.665 7.434 ( 0.000 2.370 -0.927) 2.545 7.452 ( 0.000 0.365 -2.325) 2.353 7.521 ( 0.000 1.179 3.599) 3.787 7.553 ( 0.000 -2.106 1.623) 2.659 7.751 ( 0.000 3.393 0.470) 3.425 7.771 ( 0.000 0.670 -0.879) 1.105 7.790 ( 0.000 2.144 2.760) 3.494 7.835 ( 0.000 -1.712 1.107) 2.038 8.255 ( 0.000 0.467 4.134) 4.160 8.256 ( 0.000 0.364 4.402) 4.417 8.259 ( 0.000 0.085 4.030) 4.031 8.260 ( 0.000 0.004 3.884) 3.884======================= Grid point 49 (24/28) =======================q-point: ( 0.33 0.33 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.064 ( -0.027 0.636 -1.598) 1.720 1.071 ( -0.534 0.006 -2.257) 2.319 1.218 ( -0.058 0.555 -0.779) 0.958 1.228 ( -0.771 -0.396 -0.063) 0.869 1.287 ( 0.138 -0.148 -1.613) 1.625 1.293 ( -0.281 -0.537 -1.216) 1.359 1.356 ( 0.520 1.380 5.124) 5.331 1.362 ( 1.346 1.693 1.657) 2.725 1.375 ( -0.268 0.223 4.114) 4.128 1.394 ( 2.140 -0.857 0.006) 2.305 1.401 ( -0.645 0.694 2.567) 2.736 1.419 ( 2.329 -0.295 1.404) 2.736 1.435 ( -0.222 -0.625 -0.543) 0.857 1.454 ( -1.306 -1.461 -0.024) 1.960 1.476 ( -0.354 1.464 -2.058) 2.550 1.512 ( -1.944 -1.373 -2.012) 3.117 1.538 ( 0.930 -0.085 -1.823) 2.048 1.568 ( -1.082 -2.059 -1.982) 3.056 1.593 ( -0.639 2.656 -2.149) 3.476 1.601 ( -1.471 3.354 -4.342) 5.680 1.643 ( 1.087 -1.784 -2.230) 3.056 1.664 ( -0.957 -2.346 -2.284) 3.412 1.705 ( 0.551 0.351 2.945) 3.016 1.712 ( 0.576 -0.280 3.579) 3.636 1.736 ( -0.105 -0.274 -0.006) 0.293 1.746 ( -0.810 -0.930 -0.442) 1.310 1.799 ( -0.267 2.233 2.698) 3.512 1.814 ( -0.764 0.985 2.291) 2.608 1.846 ( -1.689 0.817 1.402) 2.342 1.860 ( -1.373 -1.037 0.975) 1.977 1.875 ( 1.109 -0.401 0.619) 1.331 1.898 ( -1.706 -1.902 0.630) 2.632 1.944 ( 0.708 0.903 1.005) 1.525 1.956 ( -0.612 -0.267 0.732) 0.991 1.967 ( -0.265 0.667 1.460) 1.627 1.976 ( -0.589 -0.121 0.706) 0.927 2.058 ( 1.209 0.268 0.243) 1.262 2.069 ( 0.305 0.540 0.544) 0.825 2.152 ( 2.627 0.151 -2.624) 3.716 2.188 ( -0.052 -1.792 -3.481) 3.915 2.235 ( 4.352 0.548 -3.932) 5.891 2.257 ( 2.410 -1.336 -5.149) 5.840 2.317 ( 2.684 0.057 -1.078) 2.893 2.341 ( -0.364 -1.745 -1.436) 2.289 2.460 ( 0.049 -0.018 -0.611) 0.613 2.467 ( -0.046 -0.863 -1.136) 1.428 2.531 ( 0.920 1.119 2.383) 2.789 2.545 ( 0.328 0.302 2.890) 2.924 2.627 ( -3.496 0.988 1.348) 3.875 2.637 ( -3.208 0.142 1.377) 3.494 2.804 ( 0.014 0.642 3.548) 3.606 2.805 ( -0.298 0.983 3.363) 3.516 2.825 ( 0.407 -0.715 3.445) 3.542 2.837 ( -0.758 -1.172 3.295) 3.578 2.941 ( 1.234 3.259 7.187) 7.988 2.966 ( -0.731 1.907 6.150) 6.480 2.995 ( 0.016 2.026 8.075) 8.326 3.015 ( -1.811 0.550 6.720) 6.981 3.074 ( 1.803 -1.789 5.886) 6.410 3.103 ( -0.377 -3.423 5.422) 6.424 3.705 ( 0.332 0.678 -13.864) 13.884 3.722 ( -0.771 -1.107 -14.990) 15.051 3.928 ( 1.731 3.005 8.758) 9.419 3.965 ( -0.852 -0.096 8.758) 8.800 4.283 ( 0.555 2.968 1.868) 3.550 4.294 ( 0.305 2.803 2.663) 3.878 4.373 ( 2.322 3.634 1.020) 4.432 4.382 ( 0.102 1.138 0.835) 1.415 4.452 ( 0.305 3.112 6.674) 7.370 4.491 ( -2.147 -0.676 4.124) 4.699 4.643 ( 0.411 1.182 -3.228) 3.462 4.649 ( 0.019 0.998 -4.782) 4.885 4.659 ( 0.368 1.264 -7.463) 7.578 4.689 ( -1.598 -1.486 -7.834) 8.132 5.295 ( 0.154 0.419 6.933) 6.947 5.308 ( -0.543 -0.687 7.823) 7.872 5.427 ( 1.359 0.612 -15.087) 15.160 5.464 ( -0.991 -3.319 -14.760) 15.161 5.702 ( 1.472 -3.058 3.516) 4.887 5.736 ( -1.359 -3.236 4.791) 5.939 5.761 ( -0.132 -5.312 3.861) 6.568 5.779 ( -1.152 -4.599 2.618) 5.416 5.979 ( 3.427 2.018 -3.595) 5.362 6.020 ( 1.029 -1.200 -2.017) 2.563 6.080 ( 0.583 0.975 -3.626) 3.799 6.100 ( 0.059 -1.456 -3.081) 3.408 6.256 ( -1.311 2.585 -5.353) 6.088 6.274 ( -2.354 0.172 -4.333) 4.934 6.399 ( 2.175 -0.130 -1.946) 2.921 6.436 ( -0.853 -2.542 -2.142) 3.432 6.471 ( 0.770 -0.117 -0.826) 1.136 6.491 ( 0.038 -1.046 -3.591) 3.741 6.501 ( -1.765 -0.471 -0.489) 1.891 6.511 ( -1.559 -0.873 -1.671) 2.446 6.618 ( 0.646 0.182 1.084) 1.275 6.639 ( -1.269 -1.657 0.569) 2.163 6.697 ( 0.625 1.800 -1.881) 2.678 6.704 ( -0.042 0.948 -2.247) 2.439 6.772 ( 1.122 1.853 -5.192) 5.626 6.801 ( -1.252 -1.001 -4.463) 4.742 6.886 ( 1.694 1.366 -0.933) 2.368 6.930 ( -1.751 1.857 0.622) 2.627 6.951 ( 1.979 -4.697 -2.833) 5.831 7.000 ( -1.761 -4.770 -1.560) 5.318 7.143 ( 0.295 2.228 -1.199) 2.547 7.159 ( -0.815 0.938 -0.575) 1.369 7.208 ( 1.012 -0.140 -3.525) 3.670 7.217 ( 0.285 -0.603 -3.154) 3.223 7.418 ( -0.828 2.474 -1.790) 3.164 7.424 ( -1.415 2.106 -2.058) 3.267 7.525 ( 0.221 -0.802 3.289) 3.392 7.536 ( -0.920 -1.737 2.494) 3.175 7.733 ( -0.347 2.490 0.036) 2.514 7.741 ( -0.916 1.643 0.429) 1.929 7.847 ( 2.117 0.698 1.669) 2.784 7.859 ( 0.924 -0.433 1.608) 1.905 8.234 ( -0.499 -0.047 3.644) 3.679 8.234 ( -0.528 -0.076 3.623) 3.662 8.286 ( 0.858 0.517 4.313) 4.428 8.286 ( 0.824 0.476 4.300) 4.404======================= Grid point 54 (25/28) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 16Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.038 ( 0.000 0.000 -0.116) 0.116 1.038 ( 0.000 0.000 0.116) 0.116 1.232 ( 0.000 0.000 -1.768) 1.768 1.232 ( 0.000 0.000 1.768) 1.768 1.281 ( 0.000 0.000 -0.320) 0.320 1.281 ( 0.000 0.000 0.320) 0.320 1.380 ( 0.000 0.000 -0.548) 0.548 1.380 ( 0.000 0.000 0.548) 0.548 1.394 ( 0.000 0.000 -0.838) 0.838 1.394 ( 0.000 0.000 0.838) 0.838 1.433 ( 0.000 0.000 -4.093) 4.093 1.433 ( 0.000 0.000 4.093) 4.093 1.442 ( 0.000 0.000 -5.383) 5.383 1.442 ( 0.000 0.000 5.383) 5.383 1.483 ( 0.000 0.000 -4.168) 4.168 1.483 ( 0.000 0.000 4.168) 4.168 1.544 ( 0.000 0.000 -1.913) 1.913 1.544 ( 0.000 0.000 1.913) 1.913 1.578 ( 0.000 0.000 -5.598) 5.598 1.578 ( 0.000 0.000 5.598) 5.598 1.626 ( 0.000 0.000 -1.404) 1.404 1.626 ( 0.000 0.000 1.404) 1.404 1.730 ( 0.000 0.000 -1.702) 1.702 1.730 ( 0.000 0.000 1.702) 1.702 1.759 ( 0.000 0.000 -0.379) 0.379 1.759 ( 0.000 0.000 0.379) 0.379 1.810 ( 0.000 0.000 -0.001) 0.001 1.810 ( 0.000 0.000 0.001) 0.001 1.885 ( 0.000 0.000 -2.929) 2.929 1.885 ( 0.000 0.000 2.929) 2.929 1.889 ( 0.000 0.000 -0.172) 0.172 1.889 ( 0.000 0.000 0.172) 0.172 1.981 ( 0.000 0.000 -0.054) 0.054 1.981 ( 0.000 0.000 0.054) 0.054 1.982 ( 0.000 0.000 -0.931) 0.931 1.982 ( 0.000 0.000 0.931) 0.931 2.077 ( 0.000 0.000 -0.789) 0.789 2.077 ( 0.000 0.000 0.789) 0.789 2.120 ( 0.000 0.000 -0.790) 0.790 2.120 ( 0.000 0.000 0.790) 0.790 2.126 ( 0.000 0.000 -0.766) 0.766 2.126 ( 0.000 0.000 0.766) 0.766 2.308 ( 0.000 0.000 -3.402) 3.402 2.308 ( 0.000 0.000 3.402) 3.402 2.468 ( 0.000 0.000 -0.699) 0.699 2.468 ( 0.000 0.000 0.699) 0.699 2.537 ( 0.000 0.000 -1.272) 1.272 2.537 ( 0.000 0.000 1.272) 1.272 2.707 ( 0.000 0.000 -0.648) 0.648 2.707 ( 0.000 0.000 0.648) 0.648 2.854 ( 0.000 0.000 -1.021) 1.021 2.854 ( 0.000 0.000 1.021) 1.021 2.858 ( 0.000 0.000 -0.372) 0.372 2.858 ( 0.000 0.000 0.372) 0.372 2.975 ( 0.000 0.000 -1.424) 1.424 2.975 ( 0.000 0.000 1.424) 1.424 3.113 ( 0.000 0.000 -2.649) 2.649 3.113 ( 0.000 0.000 2.649) 2.649 3.152 ( 0.000 0.000 -1.911) 1.911 3.152 ( 0.000 0.000 1.911) 1.911 3.571 ( 0.000 0.000 -1.212) 1.212 3.571 ( 0.000 0.000 1.212) 1.212 4.025 ( 0.000 0.000 -4.001) 4.001 4.025 ( 0.000 0.000 4.001) 4.001 4.288 ( 0.000 0.000 -1.915) 1.915 4.288 ( 0.000 0.000 1.915) 1.915 4.361 ( 0.000 0.000 -6.454) 6.454 4.361 ( 0.000 0.000 6.454) 6.454 4.517 ( 0.000 0.000 -0.679) 0.679 4.517 ( 0.000 0.000 0.679) 0.679 4.591 ( 0.000 0.000 -4.783) 4.783 4.591 ( 0.000 0.000 4.783) 4.783 4.658 ( 0.000 0.000 -5.458) 5.458 4.658 ( 0.000 0.000 5.458) 5.458 5.086 ( 0.000 0.000 -3.963) 3.963 5.086 ( 0.000 0.000 3.963) 3.963 5.429 ( 0.000 0.000 -1.154) 1.154 5.429 ( 0.000 0.000 1.154) 1.154 5.820 ( 0.000 0.000 -3.002) 3.002 5.820 ( 0.000 0.000 3.002) 3.002 5.870 ( 0.000 0.000 -0.203) 0.203 5.870 ( 0.000 0.000 0.203) 0.203 5.973 ( 0.000 0.000 -4.165) 4.165 5.973 ( 0.000 0.000 4.165) 4.165 6.041 ( 0.000 0.000 -6.391) 6.391 6.041 ( 0.000 0.000 6.391) 6.391 6.230 ( 0.000 0.000 -3.971) 3.971 6.230 ( 0.000 0.000 3.971) 3.971 6.428 ( 0.000 0.000 -4.485) 4.485 6.428 ( 0.000 0.000 4.485) 4.485 6.436 ( 0.000 0.000 -1.515) 1.515 6.436 ( 0.000 0.000 1.515) 1.515 6.567 ( 0.000 0.000 -0.906) 0.906 6.567 ( 0.000 0.000 0.906) 0.906 6.621 ( 0.000 0.000 -1.142) 1.142 6.621 ( 0.000 0.000 1.142) 1.142 6.667 ( 0.000 0.000 -0.061) 0.061 6.667 ( 0.000 0.000 0.061) 0.061 6.701 ( 0.000 0.000 -6.023) 6.023 6.701 ( 0.000 0.000 6.023) 6.023 6.951 ( 0.000 0.000 -0.546) 0.546 6.951 ( 0.000 0.000 0.546) 0.546 6.966 ( 0.000 0.000 -2.732) 2.732 6.966 ( 0.000 0.000 2.732) 2.732 7.128 ( 0.000 0.000 -0.407) 0.407 7.128 ( 0.000 0.000 0.407) 0.407 7.181 ( 0.000 0.000 -1.275) 1.275 7.181 ( 0.000 0.000 1.275) 1.275 7.400 ( 0.000 0.000 -0.800) 0.800 7.400 ( 0.000 0.000 0.800) 0.800 7.578 ( 0.000 0.000 -1.653) 1.653 7.578 ( 0.000 0.000 1.653) 1.653 7.718 ( 0.000 0.000 -1.501) 1.501 7.718 ( 0.000 0.000 1.501) 1.501 7.839 ( 0.000 0.000 -2.112) 2.112 7.839 ( 0.000 0.000 2.112) 2.112 8.295 ( 0.000 0.000 -0.180) 0.180 8.295 ( 0.000 0.000 0.180) 0.180 8.298 ( 0.000 0.000 -0.064) 0.064 8.298 ( 0.000 0.000 0.064) 0.064======================= Grid point 56 (26/28) =======================q-point: ( 0.33 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 22Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.030 ( -0.523 0.000 -0.016) 0.523 1.030 ( -0.523 0.000 0.016) 0.523 1.208 ( -1.096 0.000 -1.155) 1.592 1.208 ( -1.096 0.000 1.155) 1.592 1.286 ( 0.335 0.000 -0.384) 0.509 1.286 ( 0.335 0.000 0.384) 0.509 1.330 ( -2.573 0.000 -3.659) 4.473 1.330 ( -2.573 0.000 3.659) 4.473 1.399 ( -0.107 0.000 -0.847) 0.854 1.399 ( -0.107 0.000 0.847) 0.854 1.436 ( 1.488 0.000 -0.001) 1.488 1.436 ( 1.488 0.000 0.001) 1.488 1.461 ( -0.186 0.000 -3.779) 3.784 1.461 ( -0.186 0.000 3.779) 3.784 1.489 ( 0.222 0.000 -1.516) 1.533 1.489 ( 0.222 0.000 1.516) 1.533 1.533 ( 0.142 0.000 -2.507) 2.511 1.533 ( 0.142 0.000 2.507) 2.511 1.561 ( -1.745 0.000 -6.687) 6.911 1.561 ( -1.745 0.000 6.687) 6.911 1.631 ( 0.497 0.000 -0.931) 1.055 1.631 ( 0.497 0.000 0.931) 1.055 1.727 ( -0.208 0.000 -0.755) 0.783 1.727 ( -0.208 0.000 0.755) 0.783 1.762 ( 0.260 0.000 -0.181) 0.317 1.762 ( 0.260 0.000 0.181) 0.317 1.815 ( -0.270 0.000 -0.612) 0.669 1.815 ( -0.270 0.000 0.612) 0.669 1.861 ( -0.073 0.000 -0.556) 0.560 1.861 ( -0.073 0.000 0.556) 0.560 1.913 ( 0.574 0.000 -0.996) 1.150 1.913 ( 0.574 0.000 0.996) 1.150 1.944 ( -1.336 0.000 -0.057) 1.337 1.944 ( -1.336 0.000 0.057) 1.337 1.988 ( 0.174 0.000 -0.343) 0.385 1.988 ( 0.174 0.000 0.343) 0.385 2.063 ( -0.680 0.000 -0.102) 0.687 2.063 ( -0.680 0.000 0.102) 0.687 2.176 ( 2.819 0.000 -1.535) 3.209 2.176 ( 2.819 0.000 1.535) 3.209 2.186 ( 2.582 0.000 -2.258) 3.430 2.186 ( 2.582 0.000 2.258) 3.430 2.330 ( 1.768 0.000 -1.173) 2.122 2.330 ( 1.768 0.000 1.173) 2.122 2.469 ( 0.003 0.000 -0.465) 0.465 2.469 ( 0.003 0.000 0.465) 0.465 2.549 ( 1.396 0.000 -0.013) 1.396 2.549 ( 1.396 0.000 0.013) 1.396 2.640 ( -4.789 0.000 -0.392) 4.805 2.640 ( -4.789 0.000 0.392) 4.805 2.830 ( -0.334 0.000 -0.001) 0.334 2.830 ( -0.334 0.000 0.001) 0.334 2.877 ( 0.050 0.000 -0.208) 0.214 2.877 ( 0.050 0.000 0.208) 0.214 2.969 ( -0.281 0.000 -0.300) 0.412 2.969 ( -0.281 0.000 0.301) 0.412 3.074 ( -1.462 0.000 -0.674) 1.610 3.074 ( -1.462 0.000 0.674) 1.610 3.176 ( 0.700 0.000 -1.331) 1.504 3.176 ( 0.700 0.000 1.331) 1.504 3.565 ( -0.261 0.000 -0.576) 0.632 3.565 ( -0.261 0.000 0.576) 0.632 4.033 ( 0.449 0.000 -1.436) 1.504 4.033 ( 0.449 0.000 1.436) 1.504 4.254 ( -1.999 0.000 -1.426) 2.456 4.254 ( -1.999 0.000 1.426) 2.456 4.384 ( 1.866 0.000 -3.460) 3.931 4.384 ( 1.866 0.000 3.460) 3.931 4.532 ( 0.783 0.000 -0.099) 0.789 4.532 ( 0.783 0.000 0.099) 0.789 4.557 ( -2.074 0.000 -3.641) 4.190 4.557 ( -2.074 0.000 3.641) 4.190 4.702 ( 2.214 0.000 -2.091) 3.045 4.702 ( 2.214 0.000 2.090) 3.045 5.136 ( 2.528 0.000 -2.331) 3.438 5.136 ( 2.528 0.000 2.331) 3.438 5.404 ( -1.210 0.000 -0.204) 1.227 5.404 ( -1.210 0.000 0.204) 1.227 5.842 ( 1.661 0.000 -2.939) 3.376 5.842 ( 1.661 0.000 2.939) 3.376 5.865 ( -0.385 0.000 -0.435) 0.581 5.865 ( -0.385 0.000 0.435) 0.581 5.990 ( -0.427 0.000 -0.691) 0.812 5.990 ( -0.427 0.000 0.691) 0.812 5.995 ( -1.412 0.000 -7.067) 7.206 5.995 ( -1.412 0.000 7.067) 7.206 6.268 ( 2.322 0.000 -2.745) 3.596 6.268 ( 2.322 0.000 2.745) 3.596 6.402 ( -1.276 0.000 -2.039) 2.405 6.402 ( -1.276 0.000 2.039) 2.405 6.455 ( 1.140 0.000 -0.338) 1.189 6.455 ( 1.140 0.000 0.338) 1.189 6.506 ( -3.511 0.000 -0.800) 3.601 6.506 ( -3.511 0.000 0.800) 3.601 6.635 ( 1.036 0.000 -0.806) 1.313 6.635 ( 1.036 0.000 0.806) 1.313 6.658 ( -0.727 0.000 -0.157) 0.744 6.658 ( -0.727 0.000 0.157) 0.744 6.743 ( 2.059 0.000 -3.065) 3.692 6.743 ( 2.059 0.000 3.065) 3.692 6.903 ( -1.824 0.000 -0.897) 2.033 6.903 ( -1.824 0.000 0.897) 2.033 7.021 ( 2.561 0.000 -0.002) 2.561 7.021 ( 2.561 0.000 0.002) 2.561 7.095 ( -2.076 0.000 -0.060) 2.076 7.095 ( -2.076 0.000 0.060) 2.076 7.194 ( 0.538 0.000 -0.294) 0.613 7.194 ( 0.538 0.000 0.294) 0.613 7.361 ( -2.075 0.000 -0.019) 2.075 7.361 ( -2.075 0.000 0.019) 2.075 7.576 ( -0.041 0.000 -0.357) 0.359 7.576 ( -0.041 0.000 0.357) 0.359 7.713 ( -0.241 0.000 -0.487) 0.543 7.713 ( -0.241 0.000 0.487) 0.543 7.868 ( 1.432 0.000 -0.787) 1.634 7.868 ( 1.432 0.000 0.787) 1.634 8.273 ( -0.575 0.000 -0.025) 0.576 8.273 ( -0.575 0.000 0.025) 0.576 8.323 ( 0.758 0.000 -0.037) 0.759 8.323 ( 0.758 0.000 0.037) 0.759======================= Grid point 60 (27/28) =======================q-point: ( 0.00 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 22Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.041 ( 0.000 0.220 -0.051) 0.226 1.041 ( 0.000 0.220 0.051) 0.226 1.240 ( 0.000 0.760 -1.784) 1.939 1.240 ( 0.000 0.760 1.784) 1.939 1.267 ( 0.000 -1.187 -1.339) 1.789 1.267 ( 0.000 -1.187 1.339) 1.789 1.367 ( 0.000 -0.577 -0.017) 0.577 1.367 ( 0.000 -0.577 0.017) 0.577 1.396 ( 0.000 0.427 -0.110) 0.441 1.396 ( 0.000 0.427 0.110) 0.441 1.434 ( 0.000 -0.676 -1.614) 1.750 1.434 ( 0.000 -0.676 1.614) 1.750 1.471 ( 0.000 -0.079 -1.415) 1.417 1.471 ( 0.000 -0.079 1.415) 1.417 1.483 ( 0.000 2.811 -3.553) 4.530 1.483 ( 0.000 2.811 3.553) 4.530 1.548 ( 0.000 0.871 -2.268) 2.429 1.548 ( 0.000 0.871 2.268) 2.429 1.559 ( 0.000 -2.214 -6.261) 6.641 1.559 ( 0.000 -2.214 6.261) 6.641 1.609 ( 0.000 -1.281 -0.673) 1.447 1.609 ( 0.000 -1.281 0.673) 1.447 1.737 ( 0.000 0.315 -0.675) 0.745 1.737 ( 0.000 0.315 0.675) 0.745 1.758 ( 0.000 -0.072 -0.018) 0.074 1.758 ( 0.000 -0.072 0.018) 0.074 1.835 ( 0.000 1.762 -0.023) 1.762 1.835 ( 0.000 1.762 0.023) 1.762 1.886 ( 0.000 0.096 -0.648) 0.656 1.886 ( 0.000 0.096 0.648) 0.656 1.922 ( 0.000 2.947 -0.733) 3.036 1.922 ( 0.000 2.947 0.733) 3.036 1.983 ( 0.000 0.087 -0.760) 0.765 1.983 ( 0.000 0.087 0.760) 0.765 1.984 ( 0.000 0.122 -0.592) 0.604 1.984 ( 0.000 0.122 0.592) 0.604 2.032 ( 0.000 -2.406 -0.587) 2.476 2.032 ( 0.000 -2.406 0.587) 2.476 2.065 ( 0.000 -3.988 -1.538) 4.275 2.065 ( 0.000 -3.988 1.538) 4.275 2.171 ( 0.000 2.296 -1.763) 2.895 2.171 ( 0.000 2.296 1.763) 2.895 2.284 ( 0.000 -1.911 -2.179) 2.898 2.284 ( 0.000 -1.911 2.179) 2.898 2.458 ( 0.000 -0.609 -0.435) 0.749 2.458 ( 0.000 -0.609 0.435) 0.749 2.548 ( 0.000 0.662 -0.601) 0.894 2.548 ( 0.000 0.662 0.601) 0.894 2.719 ( 0.000 0.771 -0.239) 0.807 2.719 ( 0.000 0.771 0.239) 0.807 2.848 ( 0.000 -0.217 -0.006) 0.217 2.848 ( 0.000 -0.217 0.006) 0.217 2.882 ( 0.000 1.344 -0.106) 1.348 2.882 ( 0.000 1.344 0.106) 1.348 3.014 ( 0.000 3.041 -1.190) 3.266 3.014 ( 0.000 3.041 1.190) 3.266 3.102 ( 0.000 -0.794 -1.348) 1.565 3.102 ( 0.000 -0.794 1.348) 1.565 3.131 ( 0.000 -1.840 -1.339) 2.276 3.131 ( 0.000 -1.840 1.339) 2.276 3.566 ( 0.000 -0.282 -0.587) 0.651 3.566 ( 0.000 -0.282 0.587) 0.651 4.083 ( 0.000 3.806 -2.384) 4.491 4.083 ( 0.000 3.806 2.384) 4.491 4.317 ( 0.000 1.951 -0.217) 1.963 4.317 ( 0.000 1.951 0.217) 1.963 4.384 ( 0.000 1.542 -3.464) 3.792 4.384 ( 0.000 1.542 3.464) 3.792 4.518 ( 0.000 0.061 -0.306) 0.312 4.518 ( 0.000 0.061 0.306) 0.312 4.564 ( 0.000 -1.072 -3.300) 3.470 4.564 ( 0.000 -1.072 3.300) 3.470 4.716 ( 0.000 3.148 -1.883) 3.668 4.716 ( 0.000 3.148 1.883) 3.668 5.103 ( 0.000 1.229 -2.055) 2.395 5.103 ( 0.000 1.229 2.055) 2.395 5.383 ( 0.000 -2.851 -0.455) 2.887 5.383 ( 0.000 -2.851 0.455) 2.887 5.743 ( 0.000 -3.448 -2.766) 4.421 5.743 ( 0.000 -3.448 2.766) 4.421 5.813 ( 0.000 -6.236 -0.914) 6.303 5.813 ( 0.000 -6.236 0.914) 6.303 5.997 ( 0.000 1.600 -2.421) 2.902 5.997 ( 0.000 1.600 2.421) 2.902 6.044 ( 0.000 0.707 -2.027) 2.147 6.044 ( 0.000 0.707 2.027) 2.147 6.242 ( 0.000 1.069 -0.001) 1.069 6.242 ( 0.000 1.069 0.001) 1.069 6.385 ( 0.000 -3.157 -3.345) 4.600 6.385 ( 0.000 -3.157 3.345) 4.600 6.443 ( 0.000 0.175 -0.395) 0.432 6.443 ( 0.000 0.175 0.395) 0.432 6.522 ( 0.000 -1.238 -0.398) 1.300 6.522 ( 0.000 -1.238 0.398) 1.300 6.662 ( 0.000 0.392 -0.310) 0.500 6.662 ( 0.000 0.392 0.310) 0.500 6.681 ( 0.000 2.634 -1.982) 3.296 6.681 ( 0.000 2.634 1.982) 3.296 6.711 ( 0.000 0.080 -4.381) 4.382 6.711 ( 0.000 0.080 4.381) 4.382 6.874 ( 0.000 -3.255 -1.012) 3.408 6.874 ( 0.000 -3.255 1.012) 3.408 6.992 ( 0.000 -0.257 -0.816) 0.856 6.992 ( 0.000 -0.257 0.816) 0.856 7.133 ( 0.000 0.851 -0.389) 0.936 7.133 ( 0.000 0.851 0.389) 0.936 7.185 ( 0.000 -0.111 -0.980) 0.986 7.185 ( 0.000 -0.111 0.980) 0.986 7.423 ( 0.000 1.376 -0.216) 1.392 7.423 ( 0.000 1.376 0.216) 1.392 7.565 ( 0.000 -0.625 -0.652) 0.903 7.565 ( 0.000 -0.625 0.652) 0.903 7.761 ( 0.000 2.686 -0.267) 2.699 7.761 ( 0.000 2.686 0.267) 2.699 7.836 ( 0.000 -0.312 -1.213) 1.253 7.836 ( 0.000 -0.312 1.213) 1.253 8.299 ( 0.000 0.223 -0.089) 0.241 8.299 ( 0.000 0.223 0.089) 0.241 8.301 ( 0.000 0.225 -0.027) 0.226 8.301 ( 0.000 0.225 0.027) 0.226======================= Grid point 62 (28/28) =======================q-point: ( 0.33 0.33 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.031 ( -0.452 0.209 0.000) 0.498 1.033 ( -0.552 0.063 0.000) 0.555 1.215 ( -1.537 0.714 -0.000) 1.694 1.219 ( -1.564 0.616 0.000) 1.681 1.266 ( 0.403 -1.112 0.000) 1.182 1.267 ( 0.334 -0.868 -0.000) 0.930 1.358 ( -0.678 1.708 0.000) 1.837 1.361 ( -0.238 1.328 -0.000) 1.349 1.390 ( 0.325 0.607 0.000) 0.688 1.408 ( 0.512 -1.148 0.000) 1.257 1.430 ( -1.368 2.156 0.000) 2.554 1.439 ( -1.186 -0.019 0.000) 1.186 1.456 ( 1.648 -0.243 0.000) 1.665 1.467 ( 1.431 -2.286 0.000) 2.697 1.496 ( -0.264 0.875 0.000) 0.914 1.507 ( 0.255 0.852 -0.000) 0.890 1.525 ( -1.498 -0.795 0.000) 1.696 1.526 ( -0.167 0.470 0.000) 0.499 1.533 ( -1.464 -0.524 -0.000) 1.555 1.541 ( -1.133 -0.840 -0.000) 1.411 1.621 ( 0.864 -0.891 0.000) 1.241 1.627 ( 0.328 -1.276 -0.000) 1.317 1.732 ( -0.190 0.174 0.000) 0.258 1.732 ( -0.230 0.164 -0.000) 0.283 1.759 ( 0.391 0.177 0.000) 0.429 1.764 ( 0.087 -0.144 0.000) 0.168 1.829 ( 0.093 2.213 0.000) 2.214 1.843 ( -1.174 2.315 0.000) 2.596 1.863 ( -0.198 -0.380 0.000) 0.428 1.870 ( -0.666 0.345 0.000) 0.750 1.890 ( -0.098 -1.217 0.000) 1.221 1.898 ( -1.213 -2.123 -0.000) 2.445 1.956 ( -1.339 0.592 -0.195) 1.477 1.956 ( -1.247 0.776 0.195) 1.482 1.988 ( 0.263 0.076 -0.000) 0.274 1.991 ( 0.035 -0.031 0.000) 0.047 2.056 ( 2.573 1.330 0.000) 2.896 2.087 ( 0.539 0.918 0.000) 1.065 2.134 ( 3.126 -2.695 0.000) 4.127 2.154 ( 2.601 -2.607 -0.000) 3.682 2.176 ( 2.450 0.576 -0.000) 2.517 2.195 ( 0.853 -0.489 -0.000) 0.983 2.307 ( 2.431 -0.710 0.000) 2.532 2.319 ( 1.814 -1.355 -0.000) 2.264 2.457 ( 0.020 -0.670 -0.000) 0.670 2.458 ( 0.011 -0.738 0.000) 0.738 2.553 ( 1.244 1.405 0.000) 1.877 2.571 ( 1.641 0.158 0.000) 1.648 2.646 ( -5.554 0.888 0.000) 5.624 2.653 ( -4.557 0.404 0.000) 4.575 2.839 ( -0.812 0.991 0.000) 1.281 2.841 ( -0.330 0.637 0.000) 0.718 2.862 ( 0.300 -0.848 0.000) 0.899 2.870 ( -0.930 -1.141 0.000) 1.472 3.020 ( 0.213 4.060 -0.000) 4.066 3.023 ( -0.366 3.617 0.000) 3.636 3.076 ( -0.602 0.955 0.000) 1.129 3.084 ( -0.802 1.568 0.000) 1.761 3.139 ( 0.715 -3.528 -0.000) 3.599 3.148 ( 0.179 -3.209 0.000) 3.214 3.560 ( -0.256 -0.280 -0.000) 0.380 3.560 ( -0.282 -0.314 0.000) 0.423 4.056 ( 0.129 3.391 -0.000) 3.393 4.084 ( -1.591 1.585 0.000) 2.246 4.301 ( 0.601 4.600 0.000) 4.640 4.328 ( -1.326 2.666 0.000) 2.978 4.413 ( 2.004 2.085 -1.589) 3.300 4.413 ( 2.003 2.085 1.589) 3.299 4.529 ( 0.854 -0.142 -0.000) 0.866 4.530 ( 0.923 -0.256 0.000) 0.958 4.560 ( -0.586 0.261 0.000) 0.641 4.565 ( -0.759 0.628 0.000) 0.985 4.689 ( -0.347 0.873 -0.000) 0.939 4.708 ( -1.376 -0.796 0.000) 1.590 5.137 ( 2.665 0.972 0.000) 2.836 5.152 ( 1.830 0.139 0.000) 1.835 5.386 ( 1.497 0.350 0.000) 1.537 5.410 ( 0.189 -1.319 0.000) 1.333 5.760 ( 1.452 -3.719 0.000) 3.992 5.765 ( 1.493 -3.735 0.000) 4.022 5.798 ( -1.222 -5.823 0.000) 5.950 5.801 ( -1.218 -5.049 0.000) 5.193 5.980 ( 0.574 -0.359 0.000) 0.677 5.985 ( -0.715 -0.059 0.000) 0.717 6.037 ( -0.520 1.873 0.000) 1.944 6.040 ( -1.771 1.411 -0.000) 2.265 6.217 ( 0.750 -0.520 0.000) 0.913 6.252 ( -1.518 -3.401 0.000) 3.724 6.382 ( 1.305 0.240 0.000) 1.327 6.405 ( -0.216 -1.349 0.000) 1.366 6.451 ( 1.090 0.252 -0.000) 1.119 6.457 ( 1.071 -0.273 0.000) 1.105 6.489 ( -2.042 0.095 0.000) 2.044 6.498 ( -2.063 -0.898 0.000) 2.250 6.651 ( -0.227 0.693 0.000) 0.729 6.656 ( -0.536 0.034 -0.000) 0.537 6.673 ( 0.290 2.804 -0.000) 2.819 6.681 ( -0.338 2.254 0.000) 2.279 6.729 ( 0.846 -1.537 0.000) 1.754 6.734 ( 0.780 -1.969 -0.000) 2.118 6.870 ( 1.477 0.322 0.000) 1.512 6.923 ( 1.265 -3.866 0.000) 4.068 6.932 ( -1.614 0.853 0.000) 1.826 6.988 ( -2.164 -4.147 0.000) 4.678 7.124 ( 1.006 3.238 0.000) 3.390 7.153 ( -1.065 2.767 0.000) 2.965 7.172 ( 1.008 -1.827 0.000) 2.087 7.192 ( -0.460 -1.176 0.000) 1.263 7.395 ( -1.094 2.506 0.000) 2.734 7.401 ( -1.460 2.131 0.000) 2.583 7.561 ( -0.012 -0.645 -0.000) 0.645 7.565 ( -0.198 -1.047 0.000) 1.066 7.735 ( -0.260 2.198 0.000) 2.213 7.747 ( -1.148 1.254 0.000) 1.700 7.870 ( 1.870 0.535 -0.000) 1.945 7.877 ( 1.369 0.148 0.000) 1.377 8.272 ( -0.706 -0.046 -0.010) 0.707 8.272 ( -0.704 -0.044 0.010) 0.706 8.331 ( 0.877 0.482 0.000) 1.001 8.331 ( 0.868 0.472 -0.000) 0.988=================== 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 3/12960 10.0 19.439 15.663 38.786 0.000 0.000 0.000 3/12960 20.0 4.176 3.119 11.838 0.000 0.000 0.000 3/12960 30.0 2.207 1.638 7.215 0.000 0.000 0.000 3/12960 40.0 1.503 1.120 5.253 0.000 0.000 0.000 3/12960 50.0 1.135 0.853 4.105 0.000 0.000 0.000 3/12960 60.0 0.908 0.689 3.348 0.000 0.000 0.000 3/12960 70.0 0.755 0.578 2.816 0.000 0.000 0.000 3/12960 80.0 0.645 0.499 2.427 0.000 0.000 0.000 3/12960 90.0 0.563 0.439 2.131 0.000 0.000 0.000 3/12960 100.0 0.499 0.392 1.900 0.000 0.000 0.000 3/12960 110.0 0.449 0.354 1.714 0.000 0.000 0.000 3/12960 120.0 0.408 0.324 1.562 0.000 0.000 0.000 3/12960 130.0 0.374 0.298 1.435 0.000 0.000 0.000 3/12960 140.0 0.345 0.276 1.328 0.000 0.000 0.000 3/12960 150.0 0.320 0.257 1.236 0.000 0.000 0.000 3/12960 160.0 0.299 0.241 1.156 0.000 0.000 0.000 3/12960 170.0 0.281 0.226 1.085 0.000 0.000 0.000 3/12960 180.0 0.264 0.214 1.023 0.000 0.000 0.000 3/12960 190.0 0.250 0.202 0.968 0.000 0.000 0.000 3/12960 200.0 0.237 0.192 0.919 0.000 0.000 0.000 3/12960 210.0 0.225 0.183 0.874 0.000 0.000 0.000 3/12960 220.0 0.214 0.175 0.833 0.000 0.000 0.000 3/12960 230.0 0.205 0.167 0.797 0.000 0.000 0.000 3/12960 240.0 0.196 0.160 0.763 0.000 0.000 0.000 3/12960 250.0 0.188 0.154 0.732 0.000 0.000 0.000 3/12960 260.0 0.181 0.148 0.703 0.000 0.000 0.000 3/12960 270.0 0.174 0.142 0.677 0.000 0.000 0.000 3/12960 280.0 0.167 0.137 0.653 0.000 0.000 0.000 3/12960 290.0 0.161 0.132 0.630 0.000 0.000 0.000 3/12960 300.0 0.156 0.128 0.609 0.000 0.000 0.000 3/12960 310.0 0.151 0.124 0.589 0.000 0.000 0.000 3/12960 320.0 0.146 0.120 0.570 0.000 0.000 0.000 3/12960 330.0 0.142 0.116 0.553 0.000 0.000 0.000 3/12960 340.0 0.137 0.113 0.537 0.000 0.000 0.000 3/12960 350.0 0.133 0.110 0.521 0.000 0.000 0.000 3/12960 360.0 0.130 0.107 0.507 0.000 0.000 0.000 3/12960 370.0 0.126 0.104 0.493 0.000 0.000 0.000 3/12960 380.0 0.123 0.101 0.480 0.000 0.000 0.000 3/12960 390.0 0.120 0.098 0.467 0.000 0.000 0.000 3/12960 400.0 0.117 0.096 0.456 0.000 0.000 0.000 3/12960 410.0 0.114 0.094 0.444 0.000 0.000 0.000 3/12960 420.0 0.111 0.091 0.434 0.000 0.000 0.000 3/12960 430.0 0.108 0.089 0.424 0.000 0.000 0.000 3/12960 440.0 0.106 0.087 0.414 0.000 0.000 0.000 3/12960 450.0 0.103 0.085 0.405 0.000 0.000 0.000 3/12960 460.0 0.101 0.083 0.396 0.000 0.000 0.000 3/12960 470.0 0.099 0.082 0.388 0.000 0.000 0.000 3/12960 480.0 0.097 0.080 0.379 0.000 0.000 0.000 3/12960 490.0 0.095 0.078 0.372 0.000 0.000 0.000 3/12960 500.0 0.093 0.077 0.364 0.000 0.000 0.000 3/12960 510.0 0.091 0.075 0.357 0.000 0.000 0.000 3/12960 520.0 0.089 0.074 0.350 0.000 0.000 0.000 3/12960 530.0 0.088 0.072 0.344 0.000 0.000 0.000 3/12960 540.0 0.086 0.071 0.337 0.000 0.000 0.000 3/12960 550.0 0.085 0.070 0.331 0.000 0.000 0.000 3/12960 560.0 0.083 0.069 0.325 0.000 0.000 0.000 3/12960 570.0 0.082 0.067 0.319 0.000 0.000 0.000 3/12960 580.0 0.080 0.066 0.314 0.000 0.000 0.000 3/12960 590.0 0.079 0.065 0.309 0.000 0.000 0.000 3/12960 600.0 0.077 0.064 0.303 0.000 0.000 0.000 3/12960 610.0 0.076 0.063 0.298 0.000 0.000 0.000 3/12960 620.0 0.075 0.062 0.294 0.000 0.000 0.000 3/12960 630.0 0.074 0.061 0.289 0.000 0.000 0.000 3/12960 640.0 0.073 0.060 0.284 0.000 0.000 0.000 3/12960 650.0 0.071 0.059 0.280 0.000 0.000 0.000 3/12960 660.0 0.070 0.058 0.276 0.000 0.000 0.000 3/12960 670.0 0.069 0.057 0.272 0.000 0.000 0.000 3/12960 680.0 0.068 0.056 0.268 0.000 0.000 0.000 3/12960 690.0 0.067 0.056 0.264 0.000 0.000 0.000 3/12960 700.0 0.066 0.055 0.260 0.000 0.000 0.000 3/12960 710.0 0.065 0.054 0.256 0.000 0.000 0.000 3/12960 720.0 0.065 0.053 0.253 0.000 0.000 0.000 3/12960 730.0 0.064 0.053 0.249 0.000 0.000 0.000 3/12960 740.0 0.063 0.052 0.246 0.000 0.000 0.000 3/12960 750.0 0.062 0.051 0.243 0.000 0.000 0.000 3/12960 760.0 0.061 0.050 0.239 0.000 0.000 0.000 3/12960 770.0 0.060 0.050 0.236 0.000 0.000 0.000 3/12960 780.0 0.060 0.049 0.233 0.000 0.000 0.000 3/12960 790.0 0.059 0.049 0.230 0.000 0.000 0.000 3/12960 800.0 0.058 0.048 0.227 0.000 0.000 0.000 3/12960 810.0 0.057 0.047 0.225 0.000 0.000 0.000 3/12960 820.0 0.057 0.047 0.222 0.000 0.000 0.000 3/12960 830.0 0.056 0.046 0.219 0.000 0.000 0.000 3/12960 840.0 0.055 0.046 0.217 0.000 0.000 0.000 3/12960 850.0 0.055 0.045 0.214 0.000 0.000 0.000 3/12960 860.0 0.054 0.045 0.212 0.000 0.000 0.000 3/12960 870.0 0.053 0.044 0.209 0.000 0.000 0.000 3/12960 880.0 0.053 0.044 0.207 0.000 0.000 0.000 3/12960 890.0 0.052 0.043 0.204 0.000 0.000 0.000 3/12960 900.0 0.052 0.043 0.202 0.000 0.000 0.000 3/12960 910.0 0.051 0.042 0.200 0.000 0.000 0.000 3/12960 920.0 0.050 0.042 0.198 0.000 0.000 0.000 3/12960 930.0 0.050 0.041 0.196 0.000 0.000 0.000 3/12960 940.0 0.049 0.041 0.194 0.000 0.000 0.000 3/12960 950.0 0.049 0.040 0.192 0.000 0.000 0.000 3/12960 960.0 0.048 0.040 0.190 0.000 0.000 0.000 3/12960 970.0 0.048 0.040 0.188 0.000 0.000 0.000 3/12960 980.0 0.047 0.039 0.186 0.000 0.000 0.000 3/12960 990.0 0.047 0.039 0.184 0.000 0.000 0.000 3/12960 1000.0 0.046 0.038 0.182 0.000 0.000 0.000 3/12960Thermal conductivity related properties were written into "kappa-m3312.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 21:34:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|