----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:35:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.151860595000000 -3.426585130000000 0.000000000000000 b 10.151860595000000 3.426585130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503311880000000 Atomic positions (fractional): *1 Al 0.91413061528058 0.91413061528058 0.00000000000000 26.982 2 Al 0.58586938471942 0.58586938471942 0.50000000000000 26.982 3 Al 0.08586938471942 0.08586938471942 0.00000000000000 26.982 4 Al 0.41413061528058 0.41413061528058 0.50000000000000 26.982 *5 Sr 0.19006246255508 0.80993753744492 0.35318482207969 87.620 6 Sr 0.69006246255508 0.30993753744492 0.14681517792031 87.620 7 Sr 0.30993753744492 0.69006246255508 0.85318482207969 87.620 8 Sr 0.80993753744492 0.19006246255508 0.64681517792031 87.620 *9 Sr 0.52251211918853 0.12535340749815 0.87024947421199 87.620 10 Sr 0.37464659250185 0.97748788081147 0.62975052578801 87.620 11 Sr 0.97748788081147 0.37464659250185 0.37024947421199 87.620 12 Sr 0.12535340749815 0.52251211918853 0.12975052578801 87.620 13 Sr 0.47748788081147 0.87464659250185 0.12975052578801 87.620 14 Sr 0.62535340749815 0.02251211918853 0.37024947421199 87.620 15 Sr 0.02251211918853 0.62535340749815 0.62975052578801 87.620 16 Sr 0.87464659250185 0.47748788081147 0.87024947421199 87.620 *17 Sb 0.71436458759429 0.28563541240571 0.39183543988814 121.760 18 Sb 0.21436458759429 0.78563541240571 0.10816456011186 121.760 19 Sb 0.78563541240571 0.21436458759429 0.89183543988814 121.760 20 Sb 0.28563541240571 0.71436458759429 0.60816456011186 121.760 *21 Sb 0.05236770171899 0.62663347734944 0.87728051771506 121.760 22 Sb 0.87336652265056 0.44763229828101 0.62271948228494 121.760 23 Sb 0.44763229828101 0.87336652265056 0.37728051771506 121.760 24 Sb 0.62663347734944 0.05236770171899 0.12271948228494 121.760 25 Sb 0.94763229828101 0.37336652265056 0.12271948228494 121.760 26 Sb 0.12663347734944 0.55236770171899 0.37728051771506 121.760 27 Sb 0.55236770171899 0.12663347734944 0.62271948228494 121.760 28 Sb 0.37336652265056 0.94763229828101 0.87728051771506 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 20.303721190000001 0.000000000000000 0.000000000000000 b 0.000000000000000 6.853170260000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503311880000000 Atomic positions (fractional): *1 Al 0.41413061528058 0.50000000000000 0.00000000000000 26.982 > 1 2 Al 0.08586938471942 0.50000000000000 0.50000000000000 26.982 > 2 3 Al 0.08586938471942 0.00000000000000 0.00000000000000 26.982 > 3 4 Al 0.41413061528058 0.00000000000000 0.50000000000000 26.982 > 4 5 Al 0.91413061528058 0.00000000000000 0.00000000000000 26.982 > 1 6 Al 0.58586938471942 0.00000000000000 0.50000000000000 26.982 > 2 7 Al 0.58586938471942 0.50000000000000 0.00000000000000 26.982 > 3 8 Al 0.91413061528058 0.50000000000000 0.50000000000000 26.982 > 4 *9 Sr 0.00000000000000 0.80993753744492 0.35318482207969 87.620 > 5 10 Sr 0.00000000000000 0.30993753744492 0.14681517792031 87.620 > 6 11 Sr 0.00000000000000 0.69006246255508 0.85318482207969 87.620 > 7 12 Sr 0.00000000000000 0.19006246255508 0.64681517792031 87.620 > 8 *13 Sr 0.32393276334334 0.80142064415481 0.87024947421199 87.620 > 9 14 Sr 0.17606723665666 0.80142064415481 0.62975052578801 87.620 > 10 15 Sr 0.17606723665666 0.19857935584519 0.37024947421199 87.620 > 11 16 Sr 0.32393276334334 0.19857935584519 0.12975052578801 87.620 > 12 17 Sr 0.17606723665666 0.69857935584519 0.12975052578801 87.620 > 13 18 Sr 0.32393276334334 0.69857935584519 0.37024947421199 87.620 > 14 19 Sr 0.32393276334334 0.30142064415481 0.62975052578801 87.620 > 15 20 Sr 0.17606723665666 0.30142064415481 0.87024947421199 87.620 > 16 21 Sr 0.50000000000000 0.30993753744492 0.35318482207969 87.620 > 5 22 Sr 0.50000000000000 0.80993753744492 0.14681517792031 87.620 > 6 23 Sr 0.50000000000000 0.19006246255508 0.85318482207969 87.620 > 7 24 Sr 0.50000000000000 0.69006246255508 0.64681517792031 87.620 > 8 25 Sr 0.82393276334334 0.30142064415481 0.87024947421199 87.620 > 9 26 Sr 0.67606723665666 0.30142064415481 0.62975052578801 87.620 > 10 27 Sr 0.67606723665666 0.69857935584519 0.37024947421199 87.620 > 11 28 Sr 0.82393276334334 0.69857935584519 0.12975052578801 87.620 > 12 29 Sr 0.67606723665666 0.19857935584519 0.12975052578801 87.620 > 13 30 Sr 0.82393276334334 0.19857935584519 0.37024947421199 87.620 > 14 31 Sr 0.82393276334334 0.80142064415481 0.62975052578801 87.620 > 15 32 Sr 0.67606723665666 0.80142064415481 0.87024947421199 87.620 > 16 *33 Sb 0.00000000000000 0.28563541240571 0.39183543988814 121.760 > 17 34 Sb 0.00000000000000 0.78563541240571 0.10816456011186 121.760 > 18 35 Sb 0.00000000000000 0.21436458759429 0.89183543988814 121.760 > 19 36 Sb 0.00000000000000 0.71436458759429 0.60816456011186 121.760 > 20 *37 Sb 0.33950058953421 0.28713288781523 0.87728051771506 121.760 > 21 38 Sb 0.16049941046579 0.28713288781523 0.62271948228494 121.760 > 22 39 Sb 0.16049941046579 0.71286711218477 0.37728051771506 121.760 > 23 40 Sb 0.33950058953421 0.71286711218477 0.12271948228494 121.760 > 24 41 Sb 0.16049941046579 0.21286711218477 0.12271948228494 121.760 > 25 42 Sb 0.33950058953421 0.21286711218477 0.37728051771506 121.760 > 26 43 Sb 0.33950058953421 0.78713288781523 0.62271948228494 121.760 > 27 44 Sb 0.16049941046579 0.78713288781523 0.87728051771506 121.760 > 28 45 Sb 0.50000000000000 0.78563541240571 0.39183543988814 121.760 > 17 46 Sb 0.50000000000000 0.28563541240571 0.10816456011186 121.760 > 18 47 Sb 0.50000000000000 0.71436458759429 0.89183543988814 121.760 > 19 48 Sb 0.50000000000000 0.21436458759429 0.60816456011186 121.760 > 20 49 Sb 0.83950058953421 0.78713288781523 0.87728051771506 121.760 > 21 50 Sb 0.66049941046579 0.78713288781523 0.62271948228494 121.760 > 22 51 Sb 0.66049941046579 0.21286711218477 0.37728051771506 121.760 > 23 52 Sb 0.83950058953421 0.21286711218477 0.12271948228494 121.760 > 24 53 Sb 0.66049941046579 0.71286711218477 0.12271948228494 121.760 > 25 54 Sb 0.83950058953421 0.71286711218477 0.37728051771506 121.760 > 26 55 Sb 0.83950058953421 0.28713288781523 0.62271948228494 121.760 > 27 56 Sb 0.66049941046579 0.28713288781523 0.87728051771506 121.760 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 20.303721190000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.706340519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503311880000000 Atomic positions (fractional): *1 Al 0.41413061528058 0.25000000000000 0.00000000000000 26.982 > 1 2 Al 0.41413061528058 0.75000000000000 0.00000000000000 26.982 > 1 3 Al 0.08586938471942 0.25000000000000 0.50000000000000 26.982 > 2 4 Al 0.08586938471942 0.75000000000000 0.50000000000000 26.982 > 2 5 Al 0.08586938471942 0.00000000000000 0.00000000000000 26.982 > 3 6 Al 0.08586938471942 0.50000000000000 0.00000000000000 26.982 > 3 7 Al 0.41413061528058 0.00000000000000 0.50000000000000 26.982 > 4 8 Al 0.41413061528058 0.50000000000000 0.50000000000000 26.982 > 4 9 Al 0.91413061528058 0.00000000000000 0.00000000000000 26.982 > 1 10 Al 0.91413061528058 0.50000000000000 0.00000000000000 26.982 > 1 11 Al 0.58586938471942 0.00000000000000 0.50000000000000 26.982 > 2 12 Al 0.58586938471942 0.50000000000000 0.50000000000000 26.982 > 2 13 Al 0.58586938471942 0.25000000000000 0.00000000000000 26.982 > 3 14 Al 0.58586938471942 0.75000000000000 0.00000000000000 26.982 > 3 15 Al 0.91413061528058 0.25000000000000 0.50000000000000 26.982 > 4 16 Al 0.91413061528058 0.75000000000000 0.50000000000000 26.982 > 4 *17 Sr 0.00000000000000 0.40496876872246 0.35318482207969 87.620 > 5 18 Sr 0.00000000000000 0.90496876872246 0.35318482207969 87.620 > 5 19 Sr 0.00000000000000 0.15496876872246 0.14681517792031 87.620 > 6 20 Sr 0.00000000000000 0.65496876872246 0.14681517792031 87.620 > 6 21 Sr 0.00000000000000 0.34503123127754 0.85318482207969 87.620 > 7 22 Sr 0.00000000000000 0.84503123127754 0.85318482207969 87.620 > 7 23 Sr 0.00000000000000 0.09503123127754 0.64681517792031 87.620 > 8 24 Sr 0.00000000000000 0.59503123127754 0.64681517792031 87.620 > 8 *25 Sr 0.32393276334334 0.40071032207741 0.87024947421199 87.620 > 9 26 Sr 0.32393276334334 0.90071032207741 0.87024947421199 87.620 > 9 27 Sr 0.17606723665666 0.40071032207741 0.62975052578801 87.620 > 10 28 Sr 0.17606723665666 0.90071032207741 0.62975052578801 87.620 > 10 29 Sr 0.17606723665666 0.09928967792259 0.37024947421199 87.620 > 11 30 Sr 0.17606723665666 0.59928967792259 0.37024947421199 87.620 > 11 31 Sr 0.32393276334334 0.09928967792259 0.12975052578801 87.620 > 12 32 Sr 0.32393276334334 0.59928967792259 0.12975052578801 87.620 > 12 33 Sr 0.17606723665666 0.34928967792259 0.12975052578801 87.620 > 13 34 Sr 0.17606723665666 0.84928967792259 0.12975052578801 87.620 > 13 35 Sr 0.32393276334334 0.34928967792259 0.37024947421199 87.620 > 14 36 Sr 0.32393276334334 0.84928967792259 0.37024947421199 87.620 > 14 37 Sr 0.32393276334334 0.15071032207741 0.62975052578801 87.620 > 15 38 Sr 0.32393276334334 0.65071032207741 0.62975052578801 87.620 > 15 39 Sr 0.17606723665666 0.15071032207741 0.87024947421199 87.620 > 16 40 Sr 0.17606723665666 0.65071032207741 0.87024947421199 87.620 > 16 41 Sr 0.50000000000000 0.15496876872246 0.35318482207969 87.620 > 5 42 Sr 0.50000000000000 0.65496876872246 0.35318482207969 87.620 > 5 43 Sr 0.50000000000000 0.40496876872246 0.14681517792031 87.620 > 6 44 Sr 0.50000000000000 0.90496876872246 0.14681517792031 87.620 > 6 45 Sr 0.50000000000000 0.09503123127754 0.85318482207969 87.620 > 7 46 Sr 0.50000000000000 0.59503123127754 0.85318482207969 87.620 > 7 47 Sr 0.50000000000000 0.34503123127754 0.64681517792031 87.620 > 8 48 Sr 0.50000000000000 0.84503123127754 0.64681517792031 87.620 > 8 49 Sr 0.82393276334334 0.15071032207741 0.87024947421199 87.620 > 9 50 Sr 0.82393276334334 0.65071032207741 0.87024947421199 87.620 > 9 51 Sr 0.67606723665666 0.15071032207741 0.62975052578801 87.620 > 10 52 Sr 0.67606723665666 0.65071032207741 0.62975052578801 87.620 > 10 53 Sr 0.67606723665666 0.34928967792259 0.37024947421199 87.620 > 11 54 Sr 0.67606723665666 0.84928967792259 0.37024947421199 87.620 > 11 55 Sr 0.82393276334334 0.34928967792259 0.12975052578801 87.620 > 12 56 Sr 0.82393276334334 0.84928967792259 0.12975052578801 87.620 > 12 57 Sr 0.67606723665666 0.09928967792259 0.12975052578801 87.620 > 13 58 Sr 0.67606723665666 0.59928967792259 0.12975052578801 87.620 > 13 59 Sr 0.82393276334334 0.09928967792259 0.37024947421199 87.620 > 14 60 Sr 0.82393276334334 0.59928967792259 0.37024947421199 87.620 > 14 61 Sr 0.82393276334334 0.40071032207741 0.62975052578801 87.620 > 15 62 Sr 0.82393276334334 0.90071032207741 0.62975052578801 87.620 > 15 63 Sr 0.67606723665666 0.40071032207741 0.87024947421199 87.620 > 16 64 Sr 0.67606723665666 0.90071032207741 0.87024947421199 87.620 > 16 *65 Sb 0.00000000000000 0.14281770620285 0.39183543988814 121.760 > 17 66 Sb 0.00000000000000 0.64281770620285 0.39183543988814 121.760 > 17 67 Sb 0.00000000000000 0.39281770620285 0.10816456011186 121.760 > 18 68 Sb 0.00000000000000 0.89281770620285 0.10816456011186 121.760 > 18 69 Sb 0.00000000000000 0.10718229379715 0.89183543988814 121.760 > 19 70 Sb 0.00000000000000 0.60718229379715 0.89183543988814 121.760 > 19 71 Sb 0.00000000000000 0.35718229379715 0.60816456011186 121.760 > 20 72 Sb 0.00000000000000 0.85718229379715 0.60816456011186 121.760 > 20 *73 Sb 0.33950058953421 0.14356644390761 0.87728051771506 121.760 > 21 74 Sb 0.33950058953421 0.64356644390761 0.87728051771506 121.760 > 21 75 Sb 0.16049941046579 0.14356644390761 0.62271948228494 121.760 > 22 76 Sb 0.16049941046579 0.64356644390761 0.62271948228494 121.760 > 22 77 Sb 0.16049941046579 0.35643355609239 0.37728051771506 121.760 > 23 78 Sb 0.16049941046579 0.85643355609239 0.37728051771506 121.760 > 23 79 Sb 0.33950058953421 0.35643355609239 0.12271948228494 121.760 > 24 80 Sb 0.33950058953421 0.85643355609239 0.12271948228494 121.760 > 24 81 Sb 0.16049941046579 0.10643355609239 0.12271948228494 121.760 > 25 82 Sb 0.16049941046579 0.60643355609239 0.12271948228494 121.760 > 25 83 Sb 0.33950058953421 0.10643355609239 0.37728051771506 121.760 > 26 84 Sb 0.33950058953421 0.60643355609239 0.37728051771506 121.760 > 26 85 Sb 0.33950058953421 0.39356644390761 0.62271948228494 121.760 > 27 86 Sb 0.33950058953421 0.89356644390761 0.62271948228494 121.760 > 27 87 Sb 0.16049941046579 0.39356644390761 0.87728051771506 121.760 > 28 88 Sb 0.16049941046579 0.89356644390761 0.87728051771506 121.760 > 28 89 Sb 0.50000000000000 0.39281770620285 0.39183543988814 121.760 > 17 90 Sb 0.50000000000000 0.89281770620285 0.39183543988814 121.760 > 17 91 Sb 0.50000000000000 0.14281770620285 0.10816456011186 121.760 > 18 92 Sb 0.50000000000000 0.64281770620285 0.10816456011186 121.760 > 18 93 Sb 0.50000000000000 0.35718229379715 0.89183543988814 121.760 > 19 94 Sb 0.50000000000000 0.85718229379715 0.89183543988814 121.760 > 19 95 Sb 0.50000000000000 0.10718229379715 0.60816456011186 121.760 > 20 96 Sb 0.50000000000000 0.60718229379715 0.60816456011186 121.760 > 20 97 Sb 0.83950058953421 0.39356644390761 0.87728051771506 121.760 > 21 98 Sb 0.83950058953421 0.89356644390761 0.87728051771506 121.760 > 21 99 Sb 0.66049941046579 0.39356644390761 0.62271948228494 121.760 > 22 100 Sb 0.66049941046579 0.89356644390761 0.62271948228494 121.760 > 22 101 Sb 0.66049941046579 0.10643355609239 0.37728051771506 121.760 > 23 102 Sb 0.66049941046579 0.60643355609239 0.37728051771506 121.760 > 23 103 Sb 0.83950058953421 0.10643355609239 0.12271948228494 121.760 > 24 104 Sb 0.83950058953421 0.60643355609239 0.12271948228494 121.760 > 24 105 Sb 0.66049941046579 0.35643355609239 0.12271948228494 121.760 > 25 106 Sb 0.66049941046579 0.85643355609239 0.12271948228494 121.760 > 25 107 Sb 0.83950058953421 0.35643355609239 0.37728051771506 121.760 > 26 108 Sb 0.83950058953421 0.85643355609239 0.37728051771506 121.760 > 26 109 Sb 0.83950058953421 0.14356644390761 0.62271948228494 121.760 > 27 110 Sb 0.83950058953421 0.64356644390761 0.62271948228494 121.760 > 27 111 Sb 0.66049941046579 0.14356644390761 0.87728051771506 121.760 > 28 112 Sb 0.66049941046579 0.64356644390761 0.87728051771506 121.760 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.2055117 0.0000000 0.0000000 0.0000000 12.9267963 0.0000000 0.0000000 0.0000000 14.5507015 -------------------------- Born effective charges -------------------------- 1 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 0.3124077 0.0000000 0.5474115 2.0046266 2 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 -0.3124077 0.0000000 -0.5474115 2.0046266 3 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 0.3124077 0.0000000 0.5474115 2.0046266 4 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 -0.3124077 0.0000000 -0.5474115 2.0046266 5 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 -0.6399427 0.0000000 -0.1922684 2.5692004 6 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 0.6399427 0.0000000 0.1922684 2.5692004 7 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 0.6399427 0.0000000 0.1922684 2.5692004 8 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 -0.6399427 0.0000000 -0.1922684 2.5692004 9 Sr 2.7986351 0.0215530 -0.0761024 -0.4992436 2.8837224 -0.5555532 0.0481407 -0.0112096 3.0108348 10 Sr 2.7986351 -0.0215530 -0.0761024 0.4992436 2.8837224 0.5555532 0.0481407 0.0112096 3.0108348 11 Sr 2.7986351 0.0215530 0.0761024 -0.4992436 2.8837224 0.5555532 -0.0481407 0.0112096 3.0108348 12 Sr 2.7986351 -0.0215530 0.0761024 0.4992436 2.8837224 -0.5555532 -0.0481407 -0.0112096 3.0108348 13 Sr 2.7986351 0.0215530 -0.0761024 -0.4992436 2.8837224 -0.5555532 0.0481407 -0.0112096 3.0108348 14 Sr 2.7986351 -0.0215530 -0.0761024 0.4992436 2.8837224 0.5555532 0.0481407 0.0112096 3.0108348 15 Sr 2.7986351 0.0215530 0.0761024 -0.4992436 2.8837224 0.5555532 -0.0481407 0.0112096 3.0108348 16 Sr 2.7986351 -0.0215530 0.0761024 0.4992436 2.8837224 -0.5555532 -0.0481407 -0.0112096 3.0108348 17 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 -0.4525600 0.0000000 -0.4902265 -2.3773384 18 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 0.4525600 0.0000000 0.4902265 -2.3773384 19 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 0.4525600 0.0000000 0.4902265 -2.3773384 20 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 -0.4525600 0.0000000 -0.4902265 -2.3773384 21 Sb -3.4366137 -0.2928112 -0.5056115 -0.3273737 -3.6383310 -0.2277620 -0.7274629 -0.1939182 -4.1090791 22 Sb -3.4366137 0.2928112 -0.5056115 0.3273737 -3.6383310 0.2277620 -0.7274629 0.1939182 -4.1090791 23 Sb -3.4366137 -0.2928112 0.5056115 -0.3273737 -3.6383310 0.2277620 0.7274629 0.1939182 -4.1090791 24 Sb -3.4366137 0.2928112 0.5056115 0.3273737 -3.6383310 -0.2277620 0.7274629 -0.1939182 -4.1090791 25 Sb -3.4366137 -0.2928112 -0.5056115 -0.3273737 -3.6383310 -0.2277620 -0.7274629 -0.1939182 -4.1090791 26 Sb -3.4366137 0.2928112 -0.5056115 0.3273737 -3.6383310 0.2277620 -0.7274629 0.1939182 -4.1090791 27 Sb -3.4366137 -0.2928112 0.5056115 -0.3273737 -3.6383310 0.2277620 0.7274629 0.1939182 -4.1090791 28 Sb -3.4366137 0.2928112 0.5056115 0.3273737 -3.6383310 -0.2277620 0.7274629 -0.1939182 -4.1090791 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1875), data: False |-- (256, 251), data: True |-- (256, 251), data: True |-- (256, 251), data: True |-- (356, 352), data: True |-- (356, 352), data: True |-- (428, 418), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.226 Solver_block: 200 / 480 - Time: 3.298 Solver_block: 300 / 480 - Time: 3.266 Solver_block: 400 / 480 - Time: 3.139 Solver_block: 480 / 480 - Time: 2.491 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.535 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 16932/16932 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1908 Number of blocks in projector: 1908 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 428 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 356 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 256 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 256 Use standard eigh solver. Tree of FC basis block matrices: - (1908, 1875), data: False |-- (256, 251), data: True |-- (256, 251), data: True |-- (256, 251), data: True |-- (356, 352), data: True |-- (356, 352), data: True |-- (428, 418), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:36:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:36:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.151860595000000 -3.426585130000000 0.000000000000000 b 10.151860595000000 3.426585130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503311880000000 Atomic positions (fractional): 1 Al 0.91413061528058 0.91413061528058 0.00000000000000 26.982 2 Al 0.58586938471942 0.58586938471942 0.50000000000000 26.982 3 Al 0.08586938471942 0.08586938471942 0.00000000000000 26.982 4 Al 0.41413061528058 0.41413061528058 0.50000000000000 26.982 5 Sr 0.19006246255508 0.80993753744492 0.35318482207969 87.620 6 Sr 0.69006246255508 0.30993753744492 0.14681517792031 87.620 7 Sr 0.30993753744492 0.69006246255508 0.85318482207969 87.620 8 Sr 0.80993753744492 0.19006246255508 0.64681517792031 87.620 9 Sr 0.52251211918853 0.12535340749815 0.87024947421199 87.620 10 Sr 0.37464659250185 0.97748788081147 0.62975052578801 87.620 11 Sr 0.97748788081147 0.37464659250185 0.37024947421199 87.620 12 Sr 0.12535340749815 0.52251211918853 0.12975052578801 87.620 13 Sr 0.47748788081147 0.87464659250185 0.12975052578801 87.620 14 Sr 0.62535340749815 0.02251211918853 0.37024947421199 87.620 15 Sr 0.02251211918853 0.62535340749815 0.62975052578801 87.620 16 Sr 0.87464659250185 0.47748788081147 0.87024947421199 87.620 17 Sb 0.71436458759429 0.28563541240571 0.39183543988814 121.760 18 Sb 0.21436458759429 0.78563541240571 0.10816456011186 121.760 19 Sb 0.78563541240571 0.21436458759429 0.89183543988814 121.760 20 Sb 0.28563541240571 0.71436458759429 0.60816456011186 121.760 21 Sb 0.05236770171899 0.62663347734944 0.87728051771506 121.760 22 Sb 0.87336652265056 0.44763229828101 0.62271948228494 121.760 23 Sb 0.44763229828101 0.87336652265056 0.37728051771506 121.760 24 Sb 0.62663347734944 0.05236770171899 0.12271948228494 121.760 25 Sb 0.94763229828101 0.37336652265056 0.12271948228494 121.760 26 Sb 0.12663347734944 0.55236770171899 0.37728051771506 121.760 27 Sb 0.55236770171899 0.12663347734944 0.62271948228494 121.760 28 Sb 0.37336652265056 0.94763229828101 0.87728051771506 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.303721190000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.706340519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503311880000000 Atomic positions (fractional): 1 Al 0.41413061528058 0.25000000000000 0.00000000000000 26.982 > 1 2 Al 0.41413061528058 0.75000000000000 0.00000000000000 26.982 > 1 3 Al 0.08586938471942 0.25000000000000 0.50000000000000 26.982 > 3 4 Al 0.08586938471942 0.75000000000000 0.50000000000000 26.982 > 3 5 Al 0.08586938471942 0.00000000000000 0.00000000000000 26.982 > 5 6 Al 0.08586938471942 0.50000000000000 0.00000000000000 26.982 > 5 7 Al 0.41413061528058 0.00000000000000 0.50000000000000 26.982 > 7 8 Al 0.41413061528058 0.50000000000000 0.50000000000000 26.982 > 7 9 Al 0.91413061528058 0.00000000000000 0.00000000000000 26.982 > 1 10 Al 0.91413061528058 0.50000000000000 0.00000000000000 26.982 > 1 11 Al 0.58586938471942 0.00000000000000 0.50000000000000 26.982 > 3 12 Al 0.58586938471942 0.50000000000000 0.50000000000000 26.982 > 3 13 Al 0.58586938471942 0.25000000000000 0.00000000000000 26.982 > 5 14 Al 0.58586938471942 0.75000000000000 0.00000000000000 26.982 > 5 15 Al 0.91413061528058 0.25000000000000 0.50000000000000 26.982 > 7 16 Al 0.91413061528058 0.75000000000000 0.50000000000000 26.982 > 7 17 Sr 0.00000000000000 0.40496876872246 0.35318482207969 87.620 > 17 18 Sr 0.00000000000000 0.90496876872246 0.35318482207969 87.620 > 17 19 Sr 0.00000000000000 0.15496876872246 0.14681517792031 87.620 > 19 20 Sr 0.00000000000000 0.65496876872246 0.14681517792031 87.620 > 19 21 Sr 0.00000000000000 0.34503123127754 0.85318482207969 87.620 > 21 22 Sr 0.00000000000000 0.84503123127754 0.85318482207969 87.620 > 21 23 Sr 0.00000000000000 0.09503123127754 0.64681517792031 87.620 > 23 24 Sr 0.00000000000000 0.59503123127754 0.64681517792031 87.620 > 23 25 Sr 0.32393276334334 0.40071032207741 0.87024947421199 87.620 > 25 26 Sr 0.32393276334334 0.90071032207741 0.87024947421199 87.620 > 25 27 Sr 0.17606723665666 0.40071032207741 0.62975052578801 87.620 > 27 28 Sr 0.17606723665666 0.90071032207741 0.62975052578801 87.620 > 27 29 Sr 0.17606723665666 0.09928967792259 0.37024947421199 87.620 > 29 30 Sr 0.17606723665666 0.59928967792259 0.37024947421199 87.620 > 29 31 Sr 0.32393276334334 0.09928967792259 0.12975052578801 87.620 > 31 32 Sr 0.32393276334334 0.59928967792259 0.12975052578801 87.620 > 31 33 Sr 0.17606723665666 0.34928967792259 0.12975052578801 87.620 > 33 34 Sr 0.17606723665666 0.84928967792259 0.12975052578801 87.620 > 33 35 Sr 0.32393276334334 0.34928967792259 0.37024947421199 87.620 > 35 36 Sr 0.32393276334334 0.84928967792259 0.37024947421199 87.620 > 35 37 Sr 0.32393276334334 0.15071032207741 0.62975052578801 87.620 > 37 38 Sr 0.32393276334334 0.65071032207741 0.62975052578801 87.620 > 37 39 Sr 0.17606723665666 0.15071032207741 0.87024947421199 87.620 > 39 40 Sr 0.17606723665666 0.65071032207741 0.87024947421199 87.620 > 39 41 Sr 0.50000000000000 0.15496876872246 0.35318482207969 87.620 > 17 42 Sr 0.50000000000000 0.65496876872246 0.35318482207969 87.620 > 17 43 Sr 0.50000000000000 0.40496876872246 0.14681517792031 87.620 > 19 44 Sr 0.50000000000000 0.90496876872246 0.14681517792031 87.620 > 19 45 Sr 0.50000000000000 0.09503123127754 0.85318482207969 87.620 > 21 46 Sr 0.50000000000000 0.59503123127754 0.85318482207969 87.620 > 21 47 Sr 0.50000000000000 0.34503123127754 0.64681517792031 87.620 > 23 48 Sr 0.50000000000000 0.84503123127754 0.64681517792031 87.620 > 23 49 Sr 0.82393276334334 0.15071032207741 0.87024947421199 87.620 > 25 50 Sr 0.82393276334334 0.65071032207741 0.87024947421199 87.620 > 25 51 Sr 0.67606723665666 0.15071032207741 0.62975052578801 87.620 > 27 52 Sr 0.67606723665666 0.65071032207741 0.62975052578801 87.620 > 27 53 Sr 0.67606723665666 0.34928967792259 0.37024947421199 87.620 > 29 54 Sr 0.67606723665666 0.84928967792259 0.37024947421199 87.620 > 29 55 Sr 0.82393276334334 0.34928967792259 0.12975052578801 87.620 > 31 56 Sr 0.82393276334334 0.84928967792259 0.12975052578801 87.620 > 31 57 Sr 0.67606723665666 0.09928967792259 0.12975052578801 87.620 > 33 58 Sr 0.67606723665666 0.59928967792259 0.12975052578801 87.620 > 33 59 Sr 0.82393276334334 0.09928967792259 0.37024947421199 87.620 > 35 60 Sr 0.82393276334334 0.59928967792259 0.37024947421199 87.620 > 35 61 Sr 0.82393276334334 0.40071032207741 0.62975052578801 87.620 > 37 62 Sr 0.82393276334334 0.90071032207741 0.62975052578801 87.620 > 37 63 Sr 0.67606723665666 0.40071032207741 0.87024947421199 87.620 > 39 64 Sr 0.67606723665666 0.90071032207741 0.87024947421199 87.620 > 39 65 Sb 0.00000000000000 0.14281770620285 0.39183543988814 121.760 > 65 66 Sb 0.00000000000000 0.64281770620285 0.39183543988814 121.760 > 65 67 Sb 0.00000000000000 0.39281770620285 0.10816456011186 121.760 > 67 68 Sb 0.00000000000000 0.89281770620285 0.10816456011186 121.760 > 67 69 Sb 0.00000000000000 0.10718229379715 0.89183543988814 121.760 > 69 70 Sb 0.00000000000000 0.60718229379715 0.89183543988814 121.760 > 69 71 Sb 0.00000000000000 0.35718229379715 0.60816456011186 121.760 > 71 72 Sb 0.00000000000000 0.85718229379715 0.60816456011186 121.760 > 71 73 Sb 0.33950058953421 0.14356644390761 0.87728051771506 121.760 > 73 74 Sb 0.33950058953421 0.64356644390761 0.87728051771506 121.760 > 73 75 Sb 0.16049941046579 0.14356644390761 0.62271948228494 121.760 > 75 76 Sb 0.16049941046579 0.64356644390761 0.62271948228494 121.760 > 75 77 Sb 0.16049941046579 0.35643355609239 0.37728051771506 121.760 > 77 78 Sb 0.16049941046579 0.85643355609239 0.37728051771506 121.760 > 77 79 Sb 0.33950058953421 0.35643355609239 0.12271948228494 121.760 > 79 80 Sb 0.33950058953421 0.85643355609239 0.12271948228494 121.760 > 79 81 Sb 0.16049941046579 0.10643355609239 0.12271948228494 121.760 > 81 82 Sb 0.16049941046579 0.60643355609239 0.12271948228494 121.760 > 81 83 Sb 0.33950058953421 0.10643355609239 0.37728051771506 121.760 > 83 84 Sb 0.33950058953421 0.60643355609239 0.37728051771506 121.760 > 83 85 Sb 0.33950058953421 0.39356644390761 0.62271948228494 121.760 > 85 86 Sb 0.33950058953421 0.89356644390761 0.62271948228494 121.760 > 85 87 Sb 0.16049941046579 0.39356644390761 0.87728051771506 121.760 > 87 88 Sb 0.16049941046579 0.89356644390761 0.87728051771506 121.760 > 87 89 Sb 0.50000000000000 0.39281770620285 0.39183543988814 121.760 > 65 90 Sb 0.50000000000000 0.89281770620285 0.39183543988814 121.760 > 65 91 Sb 0.50000000000000 0.14281770620285 0.10816456011186 121.760 > 67 92 Sb 0.50000000000000 0.64281770620285 0.10816456011186 121.760 > 67 93 Sb 0.50000000000000 0.35718229379715 0.89183543988814 121.760 > 69 94 Sb 0.50000000000000 0.85718229379715 0.89183543988814 121.760 > 69 95 Sb 0.50000000000000 0.10718229379715 0.60816456011186 121.760 > 71 96 Sb 0.50000000000000 0.60718229379715 0.60816456011186 121.760 > 71 97 Sb 0.83950058953421 0.39356644390761 0.87728051771506 121.760 > 73 98 Sb 0.83950058953421 0.89356644390761 0.87728051771506 121.760 > 73 99 Sb 0.66049941046579 0.39356644390761 0.62271948228494 121.760 > 75 100 Sb 0.66049941046579 0.89356644390761 0.62271948228494 121.760 > 75 101 Sb 0.66049941046579 0.10643355609239 0.37728051771506 121.760 > 77 102 Sb 0.66049941046579 0.60643355609239 0.37728051771506 121.760 > 77 103 Sb 0.83950058953421 0.10643355609239 0.12271948228494 121.760 > 79 104 Sb 0.83950058953421 0.60643355609239 0.12271948228494 121.760 > 79 105 Sb 0.66049941046579 0.35643355609239 0.12271948228494 121.760 > 81 106 Sb 0.66049941046579 0.85643355609239 0.12271948228494 121.760 > 81 107 Sb 0.83950058953421 0.35643355609239 0.37728051771506 121.760 > 83 108 Sb 0.83950058953421 0.85643355609239 0.37728051771506 121.760 > 83 109 Sb 0.83950058953421 0.14356644390761 0.62271948228494 121.760 > 85 110 Sb 0.83950058953421 0.64356644390761 0.62271948228494 121.760 > 85 111 Sb 0.66049941046579 0.14356644390761 0.87728051771506 121.760 > 87 112 Sb 0.66049941046579 0.64356644390761 0.87728051771506 121.760 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.2055117 0.0000000 0.0000000 0.0000000 12.9267963 0.0000000 0.0000000 0.0000000 14.5507015 -------------------------- Born effective charges -------------------------- 1 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 0.3124077 0.0000000 0.5474115 2.0046266 2 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 -0.3124077 0.0000000 -0.5474115 2.0046266 3 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 0.3124077 0.0000000 0.5474115 2.0046266 4 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 -0.3124077 0.0000000 -0.5474115 2.0046266 5 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 -0.6399427 0.0000000 -0.1922684 2.5692004 6 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 0.6399427 0.0000000 0.1922684 2.5692004 7 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 0.6399427 0.0000000 0.1922684 2.5692004 8 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 -0.6399427 0.0000000 -0.1922684 2.5692004 9 Sr 2.7986351 0.0215530 -0.0761024 -0.4992436 2.8837224 -0.5555532 0.0481407 -0.0112096 3.0108348 10 Sr 2.7986351 -0.0215530 -0.0761024 0.4992436 2.8837224 0.5555532 0.0481407 0.0112096 3.0108348 11 Sr 2.7986351 0.0215530 0.0761024 -0.4992436 2.8837224 0.5555532 -0.0481407 0.0112096 3.0108348 12 Sr 2.7986351 -0.0215530 0.0761024 0.4992436 2.8837224 -0.5555532 -0.0481407 -0.0112096 3.0108348 13 Sr 2.7986351 0.0215530 -0.0761024 -0.4992436 2.8837224 -0.5555532 0.0481407 -0.0112096 3.0108348 14 Sr 2.7986351 -0.0215530 -0.0761024 0.4992436 2.8837224 0.5555532 0.0481407 0.0112096 3.0108348 15 Sr 2.7986351 0.0215530 0.0761024 -0.4992436 2.8837224 0.5555532 -0.0481407 0.0112096 3.0108348 16 Sr 2.7986351 -0.0215530 0.0761024 0.4992436 2.8837224 -0.5555532 -0.0481407 -0.0112096 3.0108348 17 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 -0.4525600 0.0000000 -0.4902265 -2.3773384 18 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 0.4525600 0.0000000 0.4902265 -2.3773384 19 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 0.4525600 0.0000000 0.4902265 -2.3773384 20 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 -0.4525600 0.0000000 -0.4902265 -2.3773384 21 Sb -3.4366137 -0.2928112 -0.5056115 -0.3273737 -3.6383310 -0.2277620 -0.7274629 -0.1939182 -4.1090791 22 Sb -3.4366137 0.2928112 -0.5056115 0.3273737 -3.6383310 0.2277620 -0.7274629 0.1939182 -4.1090791 23 Sb -3.4366137 -0.2928112 0.5056115 -0.3273737 -3.6383310 0.2277620 0.7274629 0.1939182 -4.1090791 24 Sb -3.4366137 0.2928112 0.5056115 0.3273737 -3.6383310 -0.2277620 0.7274629 -0.1939182 -4.1090791 25 Sb -3.4366137 -0.2928112 -0.5056115 -0.3273737 -3.6383310 -0.2277620 -0.7274629 -0.1939182 -4.1090791 26 Sb -3.4366137 0.2928112 -0.5056115 0.3273737 -3.6383310 0.2277620 -0.7274629 0.1939182 -4.1090791 27 Sb -3.4366137 -0.2928112 0.5056115 -0.3273737 -3.6383310 0.2277620 0.7274629 0.1939182 -4.1090791 28 Sb -3.4366137 0.2928112 0.5056115 0.3273737 -3.6383310 -0.2277620 0.7274629 -0.1939182 -4.1090791 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:36:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:36:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.151860595000000 -3.426585130000000 0.000000000000000 b 10.151860595000000 3.426585130000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503311880000000 Atomic positions (fractional): 1 Al 0.91413061528058 0.91413061528058 0.00000000000000 26.982 2 Al 0.58586938471942 0.58586938471942 0.50000000000000 26.982 3 Al 0.08586938471942 0.08586938471942 0.00000000000000 26.982 4 Al 0.41413061528058 0.41413061528058 0.50000000000000 26.982 5 Sr 0.19006246255508 0.80993753744492 0.35318482207969 87.620 6 Sr 0.69006246255508 0.30993753744492 0.14681517792031 87.620 7 Sr 0.30993753744492 0.69006246255508 0.85318482207969 87.620 8 Sr 0.80993753744492 0.19006246255508 0.64681517792031 87.620 9 Sr 0.52251211918853 0.12535340749815 0.87024947421199 87.620 10 Sr 0.37464659250185 0.97748788081147 0.62975052578801 87.620 11 Sr 0.97748788081147 0.37464659250185 0.37024947421199 87.620 12 Sr 0.12535340749815 0.52251211918853 0.12975052578801 87.620 13 Sr 0.47748788081147 0.87464659250185 0.12975052578801 87.620 14 Sr 0.62535340749815 0.02251211918853 0.37024947421199 87.620 15 Sr 0.02251211918853 0.62535340749815 0.62975052578801 87.620 16 Sr 0.87464659250185 0.47748788081147 0.87024947421199 87.620 17 Sb 0.71436458759429 0.28563541240571 0.39183543988814 121.760 18 Sb 0.21436458759429 0.78563541240571 0.10816456011186 121.760 19 Sb 0.78563541240571 0.21436458759429 0.89183543988814 121.760 20 Sb 0.28563541240571 0.71436458759429 0.60816456011186 121.760 21 Sb 0.05236770171899 0.62663347734944 0.87728051771506 121.760 22 Sb 0.87336652265056 0.44763229828101 0.62271948228494 121.760 23 Sb 0.44763229828101 0.87336652265056 0.37728051771506 121.760 24 Sb 0.62663347734944 0.05236770171899 0.12271948228494 121.760 25 Sb 0.94763229828101 0.37336652265056 0.12271948228494 121.760 26 Sb 0.12663347734944 0.55236770171899 0.37728051771506 121.760 27 Sb 0.55236770171899 0.12663347734944 0.62271948228494 121.760 28 Sb 0.37336652265056 0.94763229828101 0.87728051771506 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 20.303721190000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.706340519999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.503311880000000 Atomic positions (fractional): 1 Al 0.41413061528058 0.25000000000000 0.00000000000000 26.982 > 1 2 Al 0.41413061528058 0.75000000000000 0.00000000000000 26.982 > 1 3 Al 0.08586938471942 0.25000000000000 0.50000000000000 26.982 > 3 4 Al 0.08586938471942 0.75000000000000 0.50000000000000 26.982 > 3 5 Al 0.08586938471942 0.00000000000000 0.00000000000000 26.982 > 5 6 Al 0.08586938471942 0.50000000000000 0.00000000000000 26.982 > 5 7 Al 0.41413061528058 0.00000000000000 0.50000000000000 26.982 > 7 8 Al 0.41413061528058 0.50000000000000 0.50000000000000 26.982 > 7 9 Al 0.91413061528058 0.00000000000000 0.00000000000000 26.982 > 1 10 Al 0.91413061528058 0.50000000000000 0.00000000000000 26.982 > 1 11 Al 0.58586938471942 0.00000000000000 0.50000000000000 26.982 > 3 12 Al 0.58586938471942 0.50000000000000 0.50000000000000 26.982 > 3 13 Al 0.58586938471942 0.25000000000000 0.00000000000000 26.982 > 5 14 Al 0.58586938471942 0.75000000000000 0.00000000000000 26.982 > 5 15 Al 0.91413061528058 0.25000000000000 0.50000000000000 26.982 > 7 16 Al 0.91413061528058 0.75000000000000 0.50000000000000 26.982 > 7 17 Sr 0.00000000000000 0.40496876872246 0.35318482207969 87.620 > 17 18 Sr 0.00000000000000 0.90496876872246 0.35318482207969 87.620 > 17 19 Sr 0.00000000000000 0.15496876872246 0.14681517792031 87.620 > 19 20 Sr 0.00000000000000 0.65496876872246 0.14681517792031 87.620 > 19 21 Sr 0.00000000000000 0.34503123127754 0.85318482207969 87.620 > 21 22 Sr 0.00000000000000 0.84503123127754 0.85318482207969 87.620 > 21 23 Sr 0.00000000000000 0.09503123127754 0.64681517792031 87.620 > 23 24 Sr 0.00000000000000 0.59503123127754 0.64681517792031 87.620 > 23 25 Sr 0.32393276334334 0.40071032207741 0.87024947421199 87.620 > 25 26 Sr 0.32393276334334 0.90071032207741 0.87024947421199 87.620 > 25 27 Sr 0.17606723665666 0.40071032207741 0.62975052578801 87.620 > 27 28 Sr 0.17606723665666 0.90071032207741 0.62975052578801 87.620 > 27 29 Sr 0.17606723665666 0.09928967792259 0.37024947421199 87.620 > 29 30 Sr 0.17606723665666 0.59928967792259 0.37024947421199 87.620 > 29 31 Sr 0.32393276334334 0.09928967792259 0.12975052578801 87.620 > 31 32 Sr 0.32393276334334 0.59928967792259 0.12975052578801 87.620 > 31 33 Sr 0.17606723665666 0.34928967792259 0.12975052578801 87.620 > 33 34 Sr 0.17606723665666 0.84928967792259 0.12975052578801 87.620 > 33 35 Sr 0.32393276334334 0.34928967792259 0.37024947421199 87.620 > 35 36 Sr 0.32393276334334 0.84928967792259 0.37024947421199 87.620 > 35 37 Sr 0.32393276334334 0.15071032207741 0.62975052578801 87.620 > 37 38 Sr 0.32393276334334 0.65071032207741 0.62975052578801 87.620 > 37 39 Sr 0.17606723665666 0.15071032207741 0.87024947421199 87.620 > 39 40 Sr 0.17606723665666 0.65071032207741 0.87024947421199 87.620 > 39 41 Sr 0.50000000000000 0.15496876872246 0.35318482207969 87.620 > 17 42 Sr 0.50000000000000 0.65496876872246 0.35318482207969 87.620 > 17 43 Sr 0.50000000000000 0.40496876872246 0.14681517792031 87.620 > 19 44 Sr 0.50000000000000 0.90496876872246 0.14681517792031 87.620 > 19 45 Sr 0.50000000000000 0.09503123127754 0.85318482207969 87.620 > 21 46 Sr 0.50000000000000 0.59503123127754 0.85318482207969 87.620 > 21 47 Sr 0.50000000000000 0.34503123127754 0.64681517792031 87.620 > 23 48 Sr 0.50000000000000 0.84503123127754 0.64681517792031 87.620 > 23 49 Sr 0.82393276334334 0.15071032207741 0.87024947421199 87.620 > 25 50 Sr 0.82393276334334 0.65071032207741 0.87024947421199 87.620 > 25 51 Sr 0.67606723665666 0.15071032207741 0.62975052578801 87.620 > 27 52 Sr 0.67606723665666 0.65071032207741 0.62975052578801 87.620 > 27 53 Sr 0.67606723665666 0.34928967792259 0.37024947421199 87.620 > 29 54 Sr 0.67606723665666 0.84928967792259 0.37024947421199 87.620 > 29 55 Sr 0.82393276334334 0.34928967792259 0.12975052578801 87.620 > 31 56 Sr 0.82393276334334 0.84928967792259 0.12975052578801 87.620 > 31 57 Sr 0.67606723665666 0.09928967792259 0.12975052578801 87.620 > 33 58 Sr 0.67606723665666 0.59928967792259 0.12975052578801 87.620 > 33 59 Sr 0.82393276334334 0.09928967792259 0.37024947421199 87.620 > 35 60 Sr 0.82393276334334 0.59928967792259 0.37024947421199 87.620 > 35 61 Sr 0.82393276334334 0.40071032207741 0.62975052578801 87.620 > 37 62 Sr 0.82393276334334 0.90071032207741 0.62975052578801 87.620 > 37 63 Sr 0.67606723665666 0.40071032207741 0.87024947421199 87.620 > 39 64 Sr 0.67606723665666 0.90071032207741 0.87024947421199 87.620 > 39 65 Sb 0.00000000000000 0.14281770620285 0.39183543988814 121.760 > 65 66 Sb 0.00000000000000 0.64281770620285 0.39183543988814 121.760 > 65 67 Sb 0.00000000000000 0.39281770620285 0.10816456011186 121.760 > 67 68 Sb 0.00000000000000 0.89281770620285 0.10816456011186 121.760 > 67 69 Sb 0.00000000000000 0.10718229379715 0.89183543988814 121.760 > 69 70 Sb 0.00000000000000 0.60718229379715 0.89183543988814 121.760 > 69 71 Sb 0.00000000000000 0.35718229379715 0.60816456011186 121.760 > 71 72 Sb 0.00000000000000 0.85718229379715 0.60816456011186 121.760 > 71 73 Sb 0.33950058953421 0.14356644390761 0.87728051771506 121.760 > 73 74 Sb 0.33950058953421 0.64356644390761 0.87728051771506 121.760 > 73 75 Sb 0.16049941046579 0.14356644390761 0.62271948228494 121.760 > 75 76 Sb 0.16049941046579 0.64356644390761 0.62271948228494 121.760 > 75 77 Sb 0.16049941046579 0.35643355609239 0.37728051771506 121.760 > 77 78 Sb 0.16049941046579 0.85643355609239 0.37728051771506 121.760 > 77 79 Sb 0.33950058953421 0.35643355609239 0.12271948228494 121.760 > 79 80 Sb 0.33950058953421 0.85643355609239 0.12271948228494 121.760 > 79 81 Sb 0.16049941046579 0.10643355609239 0.12271948228494 121.760 > 81 82 Sb 0.16049941046579 0.60643355609239 0.12271948228494 121.760 > 81 83 Sb 0.33950058953421 0.10643355609239 0.37728051771506 121.760 > 83 84 Sb 0.33950058953421 0.60643355609239 0.37728051771506 121.760 > 83 85 Sb 0.33950058953421 0.39356644390761 0.62271948228494 121.760 > 85 86 Sb 0.33950058953421 0.89356644390761 0.62271948228494 121.760 > 85 87 Sb 0.16049941046579 0.39356644390761 0.87728051771506 121.760 > 87 88 Sb 0.16049941046579 0.89356644390761 0.87728051771506 121.760 > 87 89 Sb 0.50000000000000 0.39281770620285 0.39183543988814 121.760 > 65 90 Sb 0.50000000000000 0.89281770620285 0.39183543988814 121.760 > 65 91 Sb 0.50000000000000 0.14281770620285 0.10816456011186 121.760 > 67 92 Sb 0.50000000000000 0.64281770620285 0.10816456011186 121.760 > 67 93 Sb 0.50000000000000 0.35718229379715 0.89183543988814 121.760 > 69 94 Sb 0.50000000000000 0.85718229379715 0.89183543988814 121.760 > 69 95 Sb 0.50000000000000 0.10718229379715 0.60816456011186 121.760 > 71 96 Sb 0.50000000000000 0.60718229379715 0.60816456011186 121.760 > 71 97 Sb 0.83950058953421 0.39356644390761 0.87728051771506 121.760 > 73 98 Sb 0.83950058953421 0.89356644390761 0.87728051771506 121.760 > 73 99 Sb 0.66049941046579 0.39356644390761 0.62271948228494 121.760 > 75 100 Sb 0.66049941046579 0.89356644390761 0.62271948228494 121.760 > 75 101 Sb 0.66049941046579 0.10643355609239 0.37728051771506 121.760 > 77 102 Sb 0.66049941046579 0.60643355609239 0.37728051771506 121.760 > 77 103 Sb 0.83950058953421 0.10643355609239 0.12271948228494 121.760 > 79 104 Sb 0.83950058953421 0.60643355609239 0.12271948228494 121.760 > 79 105 Sb 0.66049941046579 0.35643355609239 0.12271948228494 121.760 > 81 106 Sb 0.66049941046579 0.85643355609239 0.12271948228494 121.760 > 81 107 Sb 0.83950058953421 0.35643355609239 0.37728051771506 121.760 > 83 108 Sb 0.83950058953421 0.85643355609239 0.37728051771506 121.760 > 83 109 Sb 0.83950058953421 0.14356644390761 0.62271948228494 121.760 > 85 110 Sb 0.83950058953421 0.64356644390761 0.62271948228494 121.760 > 85 111 Sb 0.66049941046579 0.14356644390761 0.87728051771506 121.760 > 87 112 Sb 0.66049941046579 0.64356644390761 0.87728051771506 121.760 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.2055117 0.0000000 0.0000000 0.0000000 12.9267963 0.0000000 0.0000000 0.0000000 14.5507015 -------------------------- Born effective charges -------------------------- 1 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 0.3124077 0.0000000 0.5474115 2.0046266 2 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 -0.3124077 0.0000000 -0.5474115 2.0046266 3 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 0.3124077 0.0000000 0.5474115 2.0046266 4 Al 2.4891681 0.0000000 0.0000000 0.0000000 1.6464139 -0.3124077 0.0000000 -0.5474115 2.0046266 5 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 -0.6399427 0.0000000 -0.1922684 2.5692004 6 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 0.6399427 0.0000000 0.1922684 2.5692004 7 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 0.6399427 0.0000000 0.1922684 2.5692004 8 Sr 2.0912248 0.0000000 0.0000000 0.0000000 2.5523021 -0.6399427 0.0000000 -0.1922684 2.5692004 9 Sr 2.7986351 0.0215530 -0.0761024 -0.4992436 2.8837224 -0.5555532 0.0481407 -0.0112096 3.0108348 10 Sr 2.7986351 -0.0215530 -0.0761024 0.4992436 2.8837224 0.5555532 0.0481407 0.0112096 3.0108348 11 Sr 2.7986351 0.0215530 0.0761024 -0.4992436 2.8837224 0.5555532 -0.0481407 0.0112096 3.0108348 12 Sr 2.7986351 -0.0215530 0.0761024 0.4992436 2.8837224 -0.5555532 -0.0481407 -0.0112096 3.0108348 13 Sr 2.7986351 0.0215530 -0.0761024 -0.4992436 2.8837224 -0.5555532 0.0481407 -0.0112096 3.0108348 14 Sr 2.7986351 -0.0215530 -0.0761024 0.4992436 2.8837224 0.5555532 0.0481407 0.0112096 3.0108348 15 Sr 2.7986351 0.0215530 0.0761024 -0.4992436 2.8837224 0.5555532 -0.0481407 0.0112096 3.0108348 16 Sr 2.7986351 -0.0215530 0.0761024 0.4992436 2.8837224 -0.5555532 -0.0481407 -0.0112096 3.0108348 17 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 -0.4525600 0.0000000 -0.4902265 -2.3773384 18 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 0.4525600 0.0000000 0.4902265 -2.3773384 19 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 0.4525600 0.0000000 0.4902265 -2.3773384 20 Sb -3.3044358 0.0000000 0.0000000 0.0000000 -2.6894988 -0.4525600 0.0000000 -0.4902265 -2.3773384 21 Sb -3.4366137 -0.2928112 -0.5056115 -0.3273737 -3.6383310 -0.2277620 -0.7274629 -0.1939182 -4.1090791 22 Sb -3.4366137 0.2928112 -0.5056115 0.3273737 -3.6383310 0.2277620 -0.7274629 0.1939182 -4.1090791 23 Sb -3.4366137 -0.2928112 0.5056115 -0.3273737 -3.6383310 0.2277620 0.7274629 0.1939182 -4.1090791 24 Sb -3.4366137 0.2928112 0.5056115 0.3273737 -3.6383310 -0.2277620 0.7274629 -0.1939182 -4.1090791 25 Sb -3.4366137 -0.2928112 -0.5056115 -0.3273737 -3.6383310 -0.2277620 -0.7274629 -0.1939182 -4.1090791 26 Sb -3.4366137 0.2928112 -0.5056115 0.3273737 -3.6383310 0.2277620 -0.7274629 0.1939182 -4.1090791 27 Sb -3.4366137 -0.2928112 0.5056115 -0.3273737 -3.6383310 0.2277620 0.7274629 0.1939182 -4.1090791 28 Sb -3.4366137 0.2928112 0.5056115 0.3273737 -3.6383310 -0.2277620 0.7274629 -0.1939182 -4.1090791 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yxy) 0.00000000 (yxy) 0.00000000 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.862 ( 0.000 0.000 0.000) 0.000 0.911 ( 0.000 0.000 0.000) 0.000 1.050 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.437 ( 0.000 0.000 0.000) 0.000 1.498 ( 0.000 0.000 0.000) 0.000 1.511 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.624 ( 0.000 0.000 0.000) 0.000 1.634 ( 0.000 0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.991 ( 0.000 0.000 0.000) 0.000 1.998 ( 0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.107 ( 0.000 0.000 0.000) 0.000 2.174 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.269 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.445 ( 0.000 0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.498 ( 0.000 0.000 0.000) 0.000 2.585 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.647 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.753 ( 0.000 0.000 0.000) 0.000 2.779 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.973 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 0.000) 0.000 3.143 ( 0.000 0.000 0.000) 0.000 3.188 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.270 ( 0.000 0.000 0.000) 0.000 3.288 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.395 ( 0.000 0.000 0.000) 0.000 3.398 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.425 ( 0.000 0.000 0.000) 0.000 3.478 ( 0.000 0.000 0.000) 0.000 3.530 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.621 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.682 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 4.173 ( 0.000 0.000 0.000) 0.000 4.210 ( 0.000 0.000 0.000) 0.000 4.521 ( 0.000 0.000 0.000) 0.000 4.565 ( 0.000 0.000 0.000) 0.000 7.896 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.427 ( 0.000 0.000 0.000) 0.000 8.477 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 8.950 ( 0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.107 ( 0.000 0.000 0.000) 0.000 9.148 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 5.979 -16.856 0.000) 17.885 0.370 ( 12.253 -15.879 0.000) 20.057 0.715 ( 8.081 -35.200 0.000) 36.116 0.937 ( 1.190 -6.668 0.000) 6.773 1.049 ( 4.969 -11.778 0.000) 12.783 1.100 ( 0.434 -5.409 0.000) 5.427 1.220 ( 0.105 -9.069 0.000) 9.070 1.340 ( 0.149 -0.550 0.000) 0.570 1.457 ( -0.035 -2.684 0.000) 2.684 1.534 ( -1.455 -4.228 0.000) 4.472 1.575 ( -2.349 -0.839 0.000) 2.494 1.607 ( 1.938 -7.805 0.000) 8.042 1.636 ( 0.793 -1.438 0.000) 1.642 1.659 ( -0.018 -2.343 0.000) 2.343 1.783 ( 1.828 1.863 0.000) 2.610 1.809 ( -0.783 -2.578 0.000) 2.694 1.965 ( -3.968 0.503 0.000) 4.000 1.999 ( 0.547 2.306 0.000) 2.370 2.007 ( -1.919 1.947 0.000) 2.734 2.049 ( -2.554 1.123 0.000) 2.790 2.099 ( -0.462 0.722 0.000) 0.857 2.104 ( 4.276 0.423 0.000) 4.297 2.215 ( -3.927 -2.274 0.000) 4.538 2.293 ( 3.398 -2.016 0.000) 3.951 2.336 ( -1.088 -5.960 0.000) 6.059 2.363 ( 1.289 -0.215 0.000) 1.307 2.389 ( -4.418 1.086 0.000) 4.549 2.446 ( 1.659 -1.090 0.000) 1.986 2.458 ( -2.771 -0.362 0.000) 2.795 2.475 ( 3.901 2.929 0.000) 4.878 2.495 ( -0.619 -2.071 0.000) 2.162 2.574 ( 1.648 0.444 0.000) 1.707 2.602 ( 0.598 0.563 0.000) 0.821 2.645 ( -1.888 -2.444 0.000) 3.088 2.664 ( 1.073 -2.251 0.000) 2.494 2.746 ( -0.492 1.772 0.000) 1.839 2.769 ( 0.489 1.542 0.000) 1.618 2.795 ( 1.782 -3.030 0.000) 3.515 2.869 ( -0.049 1.426 0.000) 1.427 2.901 ( -3.677 5.354 0.000) 6.495 2.962 ( -6.007 -0.791 0.000) 6.059 2.987 ( 0.673 -1.113 0.000) 1.301 3.014 ( -0.055 7.557 0.000) 7.557 3.024 ( -5.559 -5.357 0.000) 7.720 3.079 ( 0.566 -2.896 0.000) 2.950 3.137 ( 3.700 1.214 0.000) 3.894 3.161 ( -1.520 1.292 0.000) 1.995 3.180 ( 4.390 -0.442 0.000) 4.412 3.194 ( -4.168 0.675 0.000) 4.222 3.239 ( -4.594 -0.521 0.000) 4.623 3.248 ( 1.015 -2.084 0.000) 2.318 3.289 ( -1.577 -4.623 0.000) 4.885 3.316 ( -1.684 1.808 0.000) 2.471 3.383 ( 6.242 -1.744 0.000) 6.480 3.388 ( 1.671 -0.360 0.000) 1.709 3.399 ( -0.382 -0.544 0.000) 0.664 3.415 ( 0.960 -1.368 0.000) 1.671 3.446 ( -2.967 -7.333 0.000) 7.911 3.467 ( -1.068 -1.346 0.000) 1.718 3.480 ( -2.697 -2.574 0.000) 3.728 3.532 ( -0.022 -4.911 0.000) 4.911 3.540 ( -0.413 4.419 0.000) 4.438 3.577 ( 0.404 -3.623 0.000) 3.645 3.648 ( 3.704 -2.141 0.000) 4.278 3.653 ( 9.824 1.512 0.000) 9.940 3.672 ( 0.694 -3.693 0.000) 3.757 3.736 ( 0.137 -1.770 0.000) 1.775 4.144 ( -8.754 -2.657 0.000) 9.148 4.214 ( 0.193 -0.312 0.000) 0.367 4.280 ( 1.527 5.880 0.000) 6.075 4.558 ( 1.160 -2.441 0.000) 2.703 4.575 ( 0.805 -0.785 0.000) 1.124 7.904 ( 0.056 -0.802 0.000) 0.804 7.925 ( 0.155 -0.651 0.000) 0.669 8.239 ( 0.390 -0.107 0.000) 0.405 8.437 ( 8.094 4.254 0.000) 9.144 8.508 ( -0.563 -3.468 0.000) 3.514 8.570 ( 0.626 -1.573 0.000) 1.693 8.642 ( 0.921 0.056 0.000) 0.923 8.906 ( -1.780 1.024 0.000) 2.054 8.942 ( 0.112 0.592 0.000) 0.602 9.043 ( -0.455 -1.726 0.000) 1.785 9.096 ( -0.078 1.093 0.000) 1.096 9.144 ( -1.124 0.433 0.000) 1.205 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 6.529 -16.369 0.000) 17.623 0.722 ( 11.379 -14.410 0.000) 18.361 1.098 ( 0.108 -9.833 0.000) 9.833 1.202 ( -1.526 -7.015 0.000) 7.179 1.309 ( -0.107 -14.468 0.000) 14.469 1.334 ( 6.358 -11.253 0.000) 12.925 1.389 ( 3.649 -14.865 0.000) 15.307 1.434 ( 4.478 -10.990 0.000) 11.867 1.534 ( -1.589 -6.465 0.000) 6.657 1.585 ( -5.606 -3.666 0.000) 6.699 1.626 ( -1.976 -6.699 0.000) 6.984 1.675 ( 0.427 -0.784 0.000) 0.893 1.699 ( -0.630 -1.727 0.000) 1.838 1.741 ( 1.982 -3.571 0.000) 4.085 1.775 ( 4.949 -0.291 0.000) 4.957 1.856 ( -1.015 -2.811 0.000) 2.989 1.910 ( -6.706 0.501 0.000) 6.725 1.963 ( 1.356 0.197 0.000) 1.371 1.965 ( -1.342 0.752 0.000) 1.539 2.058 ( 3.756 0.178 0.000) 3.761 2.084 ( -3.372 -0.780 0.000) 3.461 2.139 ( 0.473 -1.475 0.000) 1.549 2.247 ( -2.912 -3.934 0.000) 4.894 2.288 ( -5.705 4.812 0.000) 7.463 2.346 ( -2.862 -0.276 0.000) 2.875 2.371 ( 1.411 0.824 0.000) 1.634 2.397 ( 0.356 -2.992 0.000) 3.013 2.429 ( 1.877 3.387 0.000) 3.872 2.469 ( -1.284 -1.914 0.000) 2.305 2.515 ( 2.329 -3.352 0.000) 4.082 2.528 ( -1.397 -1.531 0.000) 2.072 2.589 ( 2.563 -1.249 0.000) 2.851 2.616 ( 2.966 0.075 0.000) 2.967 2.683 ( -1.766 -2.850 0.000) 3.353 2.700 ( -2.195 3.404 0.000) 4.050 2.721 ( 0.890 -2.819 0.000) 2.956 2.752 ( -0.237 2.553 0.000) 2.564 2.758 ( -0.257 3.894 0.000) 3.903 2.814 ( 2.442 2.494 0.000) 3.490 2.877 ( 0.451 -2.265 0.000) 2.309 2.931 ( -5.417 -0.666 0.000) 5.458 2.954 ( 3.590 -0.707 0.000) 3.659 3.002 ( -0.737 -1.558 0.000) 1.724 3.061 ( -1.832 0.819 0.000) 2.007 3.099 ( -0.828 -1.341 0.000) 1.576 3.124 ( -5.983 1.234 0.000) 6.109 3.160 ( -0.290 -0.244 0.000) 0.379 3.181 ( 0.408 -1.588 0.000) 1.640 3.223 ( -0.117 -1.536 0.000) 1.540 3.243 ( -6.357 -3.312 0.000) 7.168 3.248 ( 2.229 2.072 0.000) 3.043 3.293 ( -2.006 0.122 0.000) 2.010 3.363 ( 1.088 0.921 0.000) 1.425 3.373 ( -0.440 1.559 0.000) 1.620 3.403 ( -2.749 -2.654 0.000) 3.821 3.446 ( 0.387 -2.858 0.000) 2.884 3.457 ( 5.028 -0.668 0.000) 5.072 3.460 ( -2.033 -0.126 0.000) 2.036 3.489 ( 2.023 -3.022 0.000) 3.637 3.535 ( 0.830 -2.821 0.000) 2.941 3.565 ( -0.233 -3.208 0.000) 3.216 3.633 ( 2.243 -4.679 0.000) 5.189 3.666 ( 3.385 -4.696 0.000) 5.788 3.715 ( 2.110 0.059 0.000) 2.111 3.721 ( 5.014 -4.179 0.000) 6.527 3.736 ( 2.233 -1.889 0.000) 2.925 3.772 ( 0.248 -4.822 0.000) 4.829 4.115 ( -6.142 1.558 0.000) 6.337 4.203 ( 1.177 2.304 0.000) 2.587 4.221 ( 0.601 -0.117 0.000) 0.612 4.598 ( 1.247 -0.838 0.000) 1.502 4.599 ( 0.771 -1.267 0.000) 1.483 7.922 ( 0.044 -1.118 0.000) 1.118 7.940 ( 0.249 -0.747 0.000) 0.787 8.247 ( 0.114 -0.684 0.000) 0.693 8.399 ( 5.057 4.217 0.000) 6.584 8.581 ( -1.557 -4.494 0.000) 4.756 8.606 ( 0.084 -1.861 0.000) 1.863 8.649 ( 1.754 -0.319 0.000) 1.783 8.863 ( -0.898 2.550 0.000) 2.703 8.940 ( 0.600 -0.234 0.000) 0.644 9.070 ( -0.486 1.590 0.000) 1.663 9.074 ( -0.662 -1.954 0.000) 2.063 9.130 ( -1.050 0.237 0.000) 1.076 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.005 ( 6.060 -13.953 0.000) 15.212 1.022 ( 10.153 -10.796 0.000) 14.820 1.263 ( -2.872 -7.330 0.000) 7.872 1.316 ( 0.126 -6.366 0.000) 6.367 1.389 ( -1.861 -1.660 0.000) 2.494 1.483 ( 0.729 -4.014 0.000) 4.080 1.503 ( 0.154 0.887 0.000) 0.900 1.584 ( -2.607 1.198 0.000) 2.870 1.643 ( -1.626 -2.346 0.000) 2.854 1.650 ( -0.363 -0.712 0.000) 0.799 1.707 ( -2.021 -4.429 0.000) 4.868 1.717 ( -2.182 -4.977 0.000) 5.434 1.803 ( 0.451 -6.146 0.000) 6.163 1.822 ( 3.885 -4.881 0.000) 6.238 1.882 ( 0.045 -2.679 0.000) 2.680 1.918 ( 0.003 -2.178 0.000) 2.178 1.932 ( 2.590 -12.217 0.000) 12.489 1.964 ( -0.785 1.493 0.000) 1.686 1.971 ( 1.357 -1.099 0.000) 1.747 2.056 ( 4.434 2.497 0.000) 5.089 2.094 ( -5.035 -3.353 0.000) 6.049 2.165 ( -1.145 -1.469 0.000) 1.863 2.183 ( -1.987 2.440 0.000) 3.146 2.255 ( -7.161 2.766 0.000) 7.677 2.332 ( 0.760 -3.758 0.000) 3.834 2.352 ( 0.805 1.593 0.000) 1.785 2.400 ( 3.565 0.081 0.000) 3.566 2.430 ( -2.565 3.053 0.000) 3.987 2.470 ( 1.339 -3.581 0.000) 3.823 2.547 ( -3.321 5.953 0.000) 6.817 2.581 ( 1.251 -1.562 0.000) 2.001 2.588 ( -1.042 -3.895 0.000) 4.032 2.629 ( 2.082 4.478 0.000) 4.938 2.631 ( 2.274 -0.315 0.000) 2.296 2.683 ( -3.312 -0.977 0.000) 3.453 2.693 ( 2.072 0.553 0.000) 2.144 2.784 ( 1.412 -2.391 0.000) 2.777 2.790 ( 3.839 -0.640 0.000) 3.892 2.837 ( 4.144 -2.428 0.000) 4.803 2.922 ( -3.994 -1.309 0.000) 4.203 2.938 ( 1.056 -3.608 0.000) 3.759 2.983 ( 2.409 0.977 0.000) 2.600 3.018 ( -0.395 0.921 0.000) 1.002 3.042 ( -3.388 -1.355 0.000) 3.649 3.102 ( -1.613 -0.581 0.000) 1.714 3.103 ( -2.604 -2.652 0.000) 3.717 3.163 ( -4.471 0.905 0.000) 4.562 3.178 ( 1.510 -0.690 0.000) 1.660 3.218 ( 1.556 3.557 0.000) 3.883 3.225 ( -0.141 0.445 0.000) 0.466 3.244 ( -2.970 1.657 0.000) 3.401 3.260 ( -4.080 -0.715 0.000) 4.142 3.331 ( 1.169 2.333 0.000) 2.610 3.339 ( -0.651 1.400 0.000) 1.544 3.432 ( -1.095 -2.447 0.000) 2.680 3.471 ( 5.686 1.741 0.000) 5.947 3.483 ( -4.655 -3.093 0.000) 5.589 3.500 ( 4.141 -0.589 0.000) 4.183 3.550 ( -0.591 -0.446 0.000) 0.741 3.565 ( -4.912 -1.270 0.000) 5.074 3.625 ( 2.929 -3.940 0.000) 4.909 3.705 ( 3.537 1.112 0.000) 3.708 3.726 ( 2.537 -3.901 0.000) 4.653 3.778 ( 3.641 -3.424 0.000) 4.998 3.800 ( 2.038 -3.614 0.000) 4.149 3.822 ( 0.083 -4.080 0.000) 4.081 3.852 ( 0.234 -3.168 0.000) 3.177 4.031 ( -3.931 3.653 0.000) 5.366 4.198 ( -0.086 -0.648 0.000) 0.653 4.222 ( 1.011 0.537 0.000) 1.144 4.616 ( 1.166 -0.217 0.000) 1.186 4.616 ( 0.144 -0.427 0.000) 0.450 7.942 ( -0.022 -0.897 0.000) 0.897 7.952 ( 0.233 -0.302 0.000) 0.381 8.267 ( -0.905 -1.793 0.000) 2.009 8.350 ( 3.663 4.040 0.000) 5.453 8.619 ( -0.125 -0.550 0.000) 0.564 8.628 ( -1.223 -0.807 0.000) 1.465 8.698 ( 0.102 -3.870 0.000) 3.872 8.811 ( 0.553 2.829 0.000) 2.883 8.958 ( 1.091 -1.169 0.000) 1.599 9.033 ( -0.889 1.916 0.000) 2.112 9.102 ( -0.523 -1.423 0.000) 1.516 9.124 ( -0.503 0.003 0.000) 0.503 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -4.504 -0.309 0.000) 4.514 1.199 ( 4.504 0.309 0.000) 4.514 1.315 ( 1.098 -5.237 0.000) 5.351 1.315 ( -1.098 5.237 0.000) 5.351 1.436 ( 1.492 -4.951 0.000) 5.171 1.436 ( -1.492 4.951 0.000) 5.171 1.549 ( 0.472 -2.867 0.000) 2.906 1.549 ( -0.472 2.867 0.000) 2.906 1.629 ( -0.719 -0.486 0.000) 0.867 1.629 ( 0.719 0.486 0.000) 0.867 1.784 ( -2.142 -0.613 0.000) 2.228 1.784 ( 2.142 0.613 0.000) 2.228 1.886 ( -0.513 -0.003 0.000) 0.513 1.886 ( 0.513 0.003 0.000) 0.513 1.898 ( 0.541 -2.494 0.000) 2.552 1.898 ( -0.541 2.494 0.000) 2.552 1.956 ( 0.339 -1.468 0.000) 1.506 1.956 ( -0.339 1.468 0.000) 1.506 2.034 ( -1.245 -1.343 0.000) 1.831 2.034 ( 1.245 1.343 0.000) 1.831 2.157 ( 1.268 -1.742 0.000) 2.155 2.157 ( -1.268 1.742 0.000) 2.155 2.189 ( 0.869 -1.530 0.000) 1.760 2.189 ( -0.869 1.530 0.000) 1.760 2.361 ( 1.808 -2.040 0.000) 2.726 2.361 ( -1.808 2.040 0.000) 2.726 2.424 ( 1.189 -5.088 0.000) 5.225 2.424 ( -1.189 5.088 0.000) 5.225 2.502 ( 1.801 -5.285 0.000) 5.583 2.502 ( -1.801 5.285 0.000) 5.583 2.561 ( -2.444 -3.207 0.000) 4.032 2.561 ( 2.444 3.207 0.000) 4.032 2.630 ( -4.127 -2.212 0.000) 4.682 2.630 ( 4.127 2.212 0.000) 4.682 2.701 ( -1.833 -0.741 0.000) 1.977 2.701 ( 1.833 0.741 0.000) 1.977 2.805 ( -2.347 -0.840 0.000) 2.493 2.805 ( 2.347 0.840 0.000) 2.493 2.907 ( -3.477 1.386 0.000) 3.743 2.907 ( 3.477 -1.386 0.000) 3.743 2.981 ( 1.494 -1.427 0.000) 2.066 2.981 ( -1.494 1.427 0.000) 2.066 3.019 ( 3.191 -1.987 0.000) 3.759 3.019 ( -3.191 1.987 0.000) 3.759 3.117 ( -1.480 -1.673 0.000) 2.234 3.117 ( 1.480 1.673 0.000) 2.234 3.156 ( -0.683 -2.193 0.000) 2.297 3.156 ( 0.683 2.193 0.000) 2.297 3.212 ( -1.140 -0.432 0.000) 1.220 3.212 ( 1.140 0.432 0.000) 1.220 3.220 ( 2.862 -1.906 0.000) 3.439 3.220 ( -2.862 1.906 0.000) 3.439 3.323 ( -1.343 -0.089 0.000) 1.346 3.323 ( 1.343 0.089 0.000) 1.346 3.467 ( -3.149 -2.030 0.000) 3.747 3.467 ( 3.149 2.030 0.000) 3.747 3.496 ( -4.728 -2.516 0.000) 5.356 3.496 ( 4.728 2.516 0.000) 5.356 3.556 ( -3.801 -0.863 0.000) 3.898 3.556 ( 3.801 0.863 0.000) 3.898 3.693 ( -1.688 -2.592 0.000) 3.093 3.693 ( 1.688 2.592 0.000) 3.093 3.792 ( 2.120 -1.138 0.000) 2.406 3.792 ( -2.120 1.138 0.000) 2.406 3.861 ( -2.550 -0.914 0.000) 2.708 3.861 ( 2.550 0.914 0.000) 2.708 3.931 ( 2.417 -5.200 0.000) 5.734 3.931 ( -2.417 5.200 0.000) 5.734 4.213 ( -0.897 -1.102 0.000) 1.421 4.213 ( 0.897 1.102 0.000) 1.421 4.621 ( -0.606 -0.225 0.000) 0.647 4.621 ( 0.606 0.225 0.000) 0.647 7.953 ( -0.127 -0.346 0.000) 0.369 7.953 ( 0.127 0.346 0.000) 0.369 8.302 ( -2.284 -3.106 0.000) 3.856 8.302 ( 2.284 3.106 0.000) 3.856 8.626 ( -1.352 -0.050 0.000) 1.353 8.626 ( 1.352 0.050 0.000) 1.353 8.763 ( -1.109 -3.341 0.000) 3.520 8.763 ( 1.109 3.341 0.000) 3.520 8.993 ( 1.145 -1.743 0.000) 2.085 8.993 ( -1.145 1.743 0.000) 2.085 9.118 ( -0.083 -0.568 0.000) 0.574 9.118 ( 0.083 0.568 0.000) 0.574 ======================= Grid point 10 (6/63) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.214 ( 17.312 0.000 0.000) 17.312 0.229 ( 18.516 0.000 0.000) 18.516 0.464 ( 37.307 0.000 0.000) 37.307 0.936 ( 3.686 0.000 0.000) 3.686 0.945 ( 12.696 0.000 0.000) 12.696 1.048 ( -0.433 -0.000 0.000) 0.433 1.126 ( -0.449 -0.000 0.000) 0.449 1.335 ( -0.820 -0.000 0.000) 0.820 1.435 ( -0.350 -0.000 0.000) 0.350 1.485 ( -2.018 -0.000 0.000) 2.018 1.539 ( 4.562 0.000 0.000) 4.562 1.556 ( -2.244 -0.000 0.000) 2.244 1.624 ( -0.359 -0.000 0.000) 0.359 1.640 ( 0.504 0.000 0.000) 0.504 1.779 ( -0.861 -0.000 0.000) 0.861 1.811 ( 1.797 0.000 0.000) 1.797 1.938 ( -5.199 -0.000 0.000) 5.199 2.021 ( -5.903 -0.000 0.000) 5.903 2.032 ( -0.523 -0.000 0.000) 0.523 2.046 ( 4.463 0.000 0.000) 4.463 2.113 ( 0.917 0.000 0.000) 0.917 2.151 ( -4.049 -0.000 0.000) 4.049 2.179 ( 0.422 0.000 0.000) 0.422 2.236 ( -0.004 -0.000 0.000) 0.004 2.301 ( 2.773 0.000 0.000) 2.773 2.370 ( -0.480 -0.000 0.000) 0.480 2.397 ( -0.760 -0.000 0.000) 0.760 2.434 ( -7.765 -0.000 0.000) 7.765 2.457 ( 3.093 0.000 0.000) 3.093 2.466 ( 3.305 0.000 0.000) 3.305 2.578 ( -3.673 -0.000 0.000) 3.673 2.605 ( -5.710 -0.000 0.000) 5.710 2.612 ( 0.663 0.000 0.000) 0.663 2.618 ( 3.392 0.000 0.000) 3.392 2.652 ( 0.788 0.000 0.000) 0.788 2.677 ( 0.891 0.000 0.000) 0.891 2.776 ( 2.967 0.000 0.000) 2.967 2.783 ( 0.629 0.000 0.000) 0.629 2.886 ( -8.238 -0.000 0.000) 8.238 2.890 ( -0.343 -0.000 0.000) 0.343 2.897 ( -7.939 -0.000 0.000) 7.939 2.911 ( -4.790 -0.000 0.000) 4.790 3.014 ( 0.229 0.000 0.000) 0.229 3.066 ( 2.174 0.000 0.000) 2.174 3.118 ( -0.240 -0.000 0.000) 0.240 3.138 ( -7.405 -0.000 0.000) 7.405 3.168 ( -5.912 -0.000 0.000) 5.912 3.172 ( -2.080 -0.000 0.000) 2.080 3.174 ( -1.506 -0.000 0.000) 1.506 3.180 ( 4.716 0.000 0.000) 4.716 3.202 ( -1.984 -0.000 0.000) 1.984 3.262 ( 2.618 0.000 0.000) 2.618 3.328 ( -0.795 -0.000 0.000) 0.795 3.351 ( 0.133 0.000 0.000) 0.133 3.361 ( 5.462 0.000 0.000) 5.462 3.405 ( 1.001 0.000 0.000) 1.001 3.412 ( 1.164 0.000 0.000) 1.164 3.418 ( 1.219 0.000 0.000) 1.219 3.422 ( -0.085 -0.000 0.000) 0.085 3.462 ( 3.822 0.000 0.000) 3.822 3.487 ( 9.401 0.000 0.000) 9.401 3.552 ( 4.686 0.000 0.000) 4.686 3.590 ( -1.184 -0.000 0.000) 1.184 3.624 ( 0.604 0.000 0.000) 0.604 3.678 ( -0.530 -0.000 0.000) 0.530 3.705 ( 5.781 0.000 0.000) 5.781 3.775 ( -1.671 -0.000 0.000) 1.671 3.930 ( 0.840 0.000 0.000) 0.840 4.211 ( 0.026 0.000 0.000) 0.026 4.354 ( -4.463 -0.000 0.000) 4.463 4.545 ( 3.199 0.000 0.000) 3.199 4.575 ( 1.676 0.000 0.000) 1.676 7.897 ( 0.168 0.000 0.000) 0.168 7.920 ( 0.302 0.000 0.000) 0.302 8.243 ( 0.957 0.000 0.000) 0.957 8.472 ( -0.642 -0.000 0.000) 0.642 8.556 ( 0.619 0.000 0.000) 0.619 8.649 ( 1.272 0.000 0.000) 1.272 8.744 ( 0.875 0.000 0.000) 0.875 8.816 ( 0.147 0.000 0.000) 0.147 8.950 ( 0.041 0.000 0.000) 0.041 9.020 ( -0.710 -0.000 0.000) 0.710 9.108 ( 0.143 0.000 0.000) 0.143 9.134 ( -2.219 -0.000 0.000) 2.219 ======================= Grid point 11 (7/63) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 12.569 -13.117 0.000) 18.167 0.554 ( 14.814 -14.195 0.000) 20.518 0.914 ( 23.023 -23.129 0.000) 32.634 0.974 ( 4.489 -3.852 0.000) 5.915 1.078 ( -1.102 -4.937 0.000) 5.059 1.176 ( 11.800 -10.706 0.000) 15.933 1.213 ( -1.695 -9.048 0.000) 9.206 1.341 ( -0.272 -1.982 0.000) 2.001 1.446 ( -2.568 -2.071 0.000) 3.299 1.513 ( -0.861 -4.241 0.000) 4.328 1.546 ( -1.432 0.114 0.000) 1.437 1.638 ( -0.640 -1.967 0.000) 2.069 1.654 ( 5.499 -7.103 0.000) 8.983 1.661 ( 0.449 -1.779 0.000) 1.835 1.793 ( -1.769 -2.382 0.000) 2.967 1.822 ( 4.031 0.332 0.000) 4.044 1.887 ( -7.818 1.784 0.000) 8.019 1.979 ( -4.042 0.576 0.000) 4.082 1.979 ( -2.151 2.843 0.000) 3.564 2.061 ( 3.693 -0.151 0.000) 3.696 2.085 ( -1.584 2.666 0.000) 3.101 2.120 ( -3.364 -0.201 0.000) 3.370 2.181 ( 0.117 -1.922 0.000) 1.926 2.315 ( -1.902 -2.796 0.000) 3.381 2.331 ( -4.278 3.654 0.000) 5.626 2.334 ( 2.921 -3.478 0.000) 4.541 2.383 ( 1.196 -0.120 0.000) 1.202 2.397 ( -5.388 -1.942 0.000) 5.728 2.459 ( -1.457 1.462 0.000) 2.064 2.506 ( 0.465 -0.995 0.000) 1.099 2.527 ( 4.631 -0.616 0.000) 4.672 2.570 ( -1.471 -1.605 0.000) 2.177 2.616 ( 1.481 -0.831 0.000) 1.698 2.645 ( 1.995 -0.824 0.000) 2.158 2.679 ( 1.562 -2.230 0.000) 2.723 2.740 ( -1.396 2.770 0.000) 3.102 2.753 ( -3.914 0.785 0.000) 3.992 2.822 ( 1.729 -2.466 0.000) 3.012 2.826 ( -6.066 1.803 0.000) 6.328 2.870 ( 0.466 0.981 0.000) 1.086 2.880 ( -4.776 -2.081 0.000) 5.210 2.967 ( -4.410 -6.626 0.000) 7.960 2.996 ( -0.949 0.157 0.000) 0.962 3.014 ( -0.117 4.905 0.000) 4.906 3.085 ( 0.205 -0.720 0.000) 0.749 3.111 ( -6.168 1.409 0.000) 6.327 3.143 ( -3.125 -1.227 0.000) 3.357 3.151 ( -1.395 0.534 0.000) 1.493 3.172 ( -0.810 -0.137 0.000) 0.822 3.213 ( 0.106 0.441 0.000) 0.454 3.245 ( -2.528 -6.138 0.000) 6.638 3.278 ( 2.073 -0.428 0.000) 2.117 3.318 ( -0.056 3.909 0.000) 3.909 3.368 ( -2.459 -3.336 0.000) 4.144 3.399 ( 1.090 -0.888 0.000) 1.406 3.427 ( -1.307 0.557 0.000) 1.421 3.433 ( 1.696 -3.448 0.000) 3.842 3.457 ( 1.357 -1.569 0.000) 2.075 3.460 ( 0.802 -4.447 0.000) 4.518 3.511 ( 2.779 -2.442 0.000) 3.699 3.541 ( 0.671 3.317 0.000) 3.384 3.565 ( 9.098 -1.946 0.000) 9.304 3.617 ( 5.593 -2.927 0.000) 6.313 3.676 ( 1.504 -4.332 0.000) 4.586 3.701 ( 2.370 -2.354 0.000) 3.341 3.745 ( 4.559 0.622 0.000) 4.601 3.751 ( 3.178 -0.515 0.000) 3.220 4.032 ( -7.786 -5.146 0.000) 9.332 4.215 ( -0.097 -0.519 0.000) 0.528 4.273 ( -2.420 4.255 0.000) 4.895 4.582 ( 2.412 -1.443 0.000) 2.811 4.594 ( 2.178 -0.634 0.000) 2.268 7.905 ( 0.215 -0.754 0.000) 0.784 7.929 ( 0.390 -0.633 0.000) 0.743 8.247 ( 0.924 0.191 0.000) 0.943 8.499 ( -0.762 -3.212 0.000) 3.301 8.543 ( 5.421 5.279 0.000) 7.567 8.595 ( 4.677 2.577 0.000) 5.340 8.656 ( 1.044 -0.037 0.000) 1.045 8.875 ( -2.657 -0.502 0.000) 2.704 8.945 ( 0.323 0.373 0.000) 0.494 9.035 ( -0.647 -1.727 0.000) 1.844 9.093 ( -0.489 1.327 0.000) 1.414 9.122 ( -2.124 -0.120 0.000) 2.128 ======================= Grid point 12 (8/63) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 9.876 -14.428 0.000) 17.485 0.883 ( 13.580 -12.227 0.000) 18.273 1.107 ( 0.948 -7.785 0.000) 7.843 1.186 ( -0.607 -7.444 0.000) 7.469 1.304 ( -0.764 -6.344 0.000) 6.389 1.410 ( 4.539 -5.836 0.000) 7.393 1.446 ( -4.136 -9.955 0.000) 10.780 1.477 ( 10.015 -15.095 0.000) 18.115 1.492 ( -4.220 -7.328 0.000) 8.456 1.549 ( 1.001 -3.030 0.000) 3.191 1.621 ( 1.309 -6.723 0.000) 6.850 1.689 ( 0.569 -3.853 0.000) 3.895 1.691 ( 1.313 -1.977 0.000) 2.373 1.758 ( -0.505 0.317 0.000) 0.596 1.828 ( 0.338 -1.770 0.000) 1.802 1.845 ( 2.161 -0.312 0.000) 2.183 1.850 ( -1.279 -4.485 0.000) 4.664 1.953 ( -0.291 -2.069 0.000) 2.090 1.966 ( -1.582 -0.393 0.000) 1.630 2.026 ( -5.320 0.503 0.000) 5.343 2.106 ( 3.628 -0.351 0.000) 3.645 2.111 ( -3.650 -2.441 0.000) 4.391 2.225 ( -2.287 -1.870 0.000) 2.955 2.233 ( -3.240 3.932 0.000) 5.095 2.308 ( 0.169 -0.090 0.000) 0.191 2.381 ( -0.188 0.905 0.000) 0.924 2.404 ( -2.165 -2.761 0.000) 3.508 2.434 ( -1.308 0.700 0.000) 1.483 2.446 ( -1.993 -0.695 0.000) 2.111 2.514 ( 0.096 -4.765 0.000) 4.766 2.541 ( 1.362 0.203 0.000) 1.377 2.608 ( -3.491 2.862 0.000) 4.514 2.609 ( -0.734 -1.965 0.000) 2.098 2.663 ( 0.230 -0.076 0.000) 0.242 2.713 ( 2.891 0.151 0.000) 2.895 2.735 ( -1.405 5.195 0.000) 5.381 2.755 ( 4.001 -3.516 0.000) 5.327 2.769 ( 1.840 -3.738 0.000) 4.166 2.845 ( 2.028 0.469 0.000) 2.082 2.882 ( -2.538 -0.185 0.000) 2.544 2.886 ( 1.373 -2.211 0.000) 2.603 2.971 ( -3.904 -2.329 0.000) 4.546 3.002 ( 3.590 -1.478 0.000) 3.882 3.043 ( -1.361 0.414 0.000) 1.422 3.045 ( -6.257 0.529 0.000) 6.279 3.081 ( -1.516 -0.531 0.000) 1.607 3.136 ( -6.036 -2.164 0.000) 6.412 3.165 ( 0.902 -1.947 0.000) 2.146 3.188 ( -2.465 0.135 0.000) 2.468 3.226 ( 1.405 -2.174 0.000) 2.589 3.240 ( -4.068 1.671 0.000) 4.398 3.283 ( 1.585 1.727 0.000) 2.344 3.348 ( -2.662 -5.058 0.000) 5.716 3.363 ( -1.051 1.263 0.000) 1.643 3.395 ( 0.920 2.221 0.000) 2.404 3.447 ( -0.402 1.901 0.000) 1.943 3.449 ( -0.431 -3.562 0.000) 3.588 3.519 ( -3.177 -0.840 0.000) 3.286 3.523 ( 2.671 -2.002 0.000) 3.338 3.539 ( 6.244 -1.910 0.000) 6.530 3.568 ( 1.754 -3.905 0.000) 4.281 3.679 ( 5.321 -4.583 0.000) 7.023 3.714 ( 2.592 -4.248 0.000) 4.976 3.737 ( 2.517 -0.599 0.000) 2.587 3.760 ( 1.526 -2.267 0.000) 2.733 3.778 ( 3.794 -1.001 0.000) 3.924 3.805 ( 4.687 -3.288 0.000) 5.725 4.025 ( -8.077 -0.200 0.000) 8.080 4.208 ( -0.339 1.697 0.000) 1.731 4.226 ( 0.029 -0.531 0.000) 0.532 4.613 ( 1.280 -0.552 0.000) 1.394 4.619 ( 2.033 -0.493 0.000) 2.092 7.924 ( 0.142 -1.033 0.000) 1.043 7.944 ( 0.361 -0.694 0.000) 0.782 8.249 ( 0.150 -0.072 0.000) 0.166 8.472 ( 6.030 6.010 0.000) 8.514 8.565 ( -1.042 -4.077 0.000) 4.208 8.606 ( -0.149 -0.781 0.000) 0.795 8.666 ( 0.770 -0.611 0.000) 0.983 8.851 ( -0.946 1.411 0.000) 1.698 8.949 ( 0.761 -0.493 0.000) 0.906 9.061 ( -0.999 1.752 0.000) 2.017 9.067 ( -0.386 -1.993 0.000) 2.030 9.115 ( -1.163 -0.359 0.000) 1.217 ======================= Grid point 13 (9/63) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 5.944 -11.057 0.000) 12.553 1.157 ( 11.008 -8.791 0.000) 14.087 1.223 ( -2.682 -5.126 0.000) 5.785 1.337 ( 2.975 -7.619 0.000) 8.179 1.364 ( -1.828 -0.530 0.000) 1.904 1.474 ( -2.226 -3.810 0.000) 4.413 1.505 ( -0.797 2.092 0.000) 2.238 1.541 ( -3.508 -1.614 0.000) 3.862 1.602 ( -4.453 -3.945 0.000) 5.949 1.632 ( -3.436 2.320 0.000) 4.146 1.708 ( 3.756 -6.651 0.000) 7.638 1.710 ( 0.626 -3.718 0.000) 3.771 1.813 ( 1.466 -6.017 0.000) 6.193 1.855 ( 1.073 -0.820 0.000) 1.350 1.880 ( -0.497 -2.761 0.000) 2.806 1.929 ( 1.377 -2.830 0.000) 3.148 1.942 ( -2.526 1.798 0.000) 3.100 1.947 ( -2.632 -7.271 0.000) 7.733 1.985 ( 2.518 -2.713 0.000) 3.702 2.077 ( 3.358 -7.129 0.000) 7.880 2.103 ( 2.354 2.794 0.000) 3.654 2.137 ( -3.020 -1.186 0.000) 3.245 2.169 ( -0.575 0.995 0.000) 1.149 2.202 ( -0.297 0.911 0.000) 0.958 2.358 ( 3.026 -3.208 0.000) 4.410 2.359 ( 0.344 0.843 0.000) 0.911 2.389 ( -4.003 1.441 0.000) 4.255 2.434 ( 0.987 -2.241 0.000) 2.448 2.468 ( -1.368 -4.019 0.000) 4.245 2.515 ( -1.114 4.166 0.000) 4.312 2.561 ( -3.005 -1.197 0.000) 3.235 2.563 ( -3.944 2.327 0.000) 4.579 2.637 ( -0.624 4.447 0.000) 4.490 2.646 ( 0.625 -3.621 0.000) 3.674 2.682 ( 2.450 -1.129 0.000) 2.698 2.728 ( 3.102 0.085 0.000) 3.103 2.798 ( 0.590 0.750 0.000) 0.955 2.827 ( -0.066 -0.100 0.000) 0.120 2.889 ( 3.809 -2.895 0.000) 4.784 2.892 ( 0.596 -1.862 0.000) 1.955 2.959 ( 2.606 -3.368 0.000) 4.258 3.001 ( 0.340 -0.231 0.000) 0.411 3.002 ( -2.152 -1.874 0.000) 2.854 3.005 ( -1.406 1.999 0.000) 2.444 3.077 ( -2.204 -0.754 0.000) 2.329 3.092 ( 0.787 -4.038 0.000) 4.114 3.118 ( -2.777 -0.083 0.000) 2.778 3.184 ( -4.717 0.980 0.000) 4.818 3.187 ( -4.540 -2.101 0.000) 5.003 3.207 ( 3.030 -0.127 0.000) 3.032 3.250 ( 1.305 0.746 0.000) 1.503 3.251 ( 2.079 2.491 0.000) 3.244 3.329 ( -0.797 1.550 0.000) 1.743 3.341 ( 0.287 2.261 0.000) 2.279 3.407 ( -2.922 -3.518 0.000) 4.573 3.435 ( -3.515 0.192 0.000) 3.520 3.494 ( -1.200 -1.837 0.000) 2.195 3.507 ( -3.741 -1.515 0.000) 4.036 3.539 ( 0.590 1.362 0.000) 1.484 3.589 ( 7.052 -0.353 0.000) 7.061 3.664 ( 3.983 -2.383 0.000) 4.641 3.750 ( 3.386 0.810 0.000) 3.482 3.774 ( 4.395 -2.588 0.000) 5.101 3.780 ( -1.058 -1.399 0.000) 1.754 3.819 ( -0.413 -1.850 0.000) 1.895 3.838 ( 1.341 -5.017 0.000) 5.193 3.875 ( 3.887 -1.484 0.000) 4.160 3.967 ( -6.479 1.339 0.000) 6.616 4.195 ( -0.452 -0.102 0.000) 0.464 4.231 ( 0.260 0.190 0.000) 0.322 4.620 ( 0.401 0.188 0.000) 0.443 4.632 ( 1.390 0.245 0.000) 1.411 7.942 ( 0.012 -0.811 0.000) 0.811 7.955 ( 0.233 -0.223 0.000) 0.322 8.255 ( -0.844 -0.998 0.000) 1.307 8.398 ( 3.774 5.341 0.000) 6.540 8.611 ( -1.464 -0.387 0.000) 1.514 8.617 ( -0.174 -1.922 0.000) 1.929 8.698 ( -0.107 -2.674 0.000) 2.676 8.819 ( 0.631 2.051 0.000) 2.146 8.970 ( 0.728 -1.290 0.000) 1.481 9.019 ( -1.282 1.956 0.000) 2.339 9.098 ( -0.013 -1.518 0.000) 1.519 9.119 ( -0.205 -0.406 0.000) 0.455 ======================= Grid point 14 (10/63) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -5.055 5.276 0.000) 7.307 1.203 ( -2.048 9.716 0.000) 9.929 1.351 ( 3.024 -7.072 0.000) 7.692 1.360 ( 6.311 -0.161 0.000) 6.313 1.430 ( 0.336 5.973 0.000) 5.983 1.469 ( 3.875 -4.214 0.000) 5.724 1.539 ( -0.918 2.108 0.000) 2.299 1.549 ( -0.584 -3.920 0.000) 3.963 1.594 ( -4.412 -3.688 0.000) 5.750 1.611 ( -2.906 -1.665 0.000) 3.349 1.768 ( -0.776 -0.531 0.000) 0.940 1.820 ( 3.258 0.668 0.000) 3.326 1.876 ( -1.239 0.641 0.000) 1.395 1.888 ( -0.259 2.560 0.000) 2.574 1.894 ( -0.063 -0.840 0.000) 0.842 1.908 ( 1.264 -3.640 0.000) 3.853 1.947 ( -1.049 0.909 0.000) 1.388 1.953 ( -0.580 0.568 0.000) 0.812 2.016 ( -1.523 0.997 0.000) 1.820 2.047 ( 0.839 1.439 0.000) 1.665 2.154 ( -0.354 -0.484 0.000) 0.600 2.176 ( 0.823 -0.768 0.000) 1.125 2.205 ( 4.305 0.917 0.000) 4.402 2.222 ( 4.412 -4.967 0.000) 6.644 2.335 ( -2.464 1.751 0.000) 3.023 2.379 ( 1.061 -2.686 0.000) 2.888 2.419 ( 0.313 5.220 0.000) 5.229 2.436 ( -2.274 1.563 0.000) 2.759 2.462 ( -1.052 -0.944 0.000) 1.413 2.497 ( -2.770 -0.251 0.000) 2.781 2.546 ( -0.172 -4.168 0.000) 4.171 2.569 ( -1.988 0.175 0.000) 1.996 2.600 ( 0.999 -2.871 0.000) 3.040 2.649 ( -1.033 2.790 0.000) 2.975 2.701 ( 1.969 1.344 0.000) 2.384 2.730 ( 2.368 1.813 0.000) 2.983 2.769 ( -3.129 0.357 0.000) 3.149 2.815 ( -1.086 0.533 0.000) 1.209 2.874 ( -1.477 3.586 0.000) 3.878 2.954 ( 3.853 -0.720 0.000) 3.920 2.965 ( -1.415 0.900 0.000) 1.676 2.986 ( -1.473 2.088 0.000) 2.555 3.000 ( 1.048 -1.538 0.000) 1.861 3.047 ( 1.130 -1.619 0.000) 1.974 3.105 ( -0.658 -2.918 0.000) 2.991 3.138 ( 1.433 -0.338 0.000) 1.472 3.153 ( 0.473 -3.419 0.000) 3.451 3.162 ( -0.002 -0.628 0.000) 0.628 3.191 ( -1.664 0.000 0.000) 1.664 3.212 ( 1.964 0.317 0.000) 1.989 3.229 ( 0.988 0.853 0.000) 1.305 3.260 ( 2.651 -1.992 0.000) 3.316 3.307 ( -1.099 0.173 0.000) 1.113 3.337 ( 0.937 0.028 0.000) 0.938 3.399 ( -6.232 -1.345 0.000) 6.375 3.449 ( -2.948 -2.977 0.000) 4.190 3.490 ( 1.102 2.969 0.000) 3.167 3.526 ( 0.303 -0.982 0.000) 1.028 3.526 ( -1.650 -1.396 0.000) 2.162 3.623 ( 5.489 1.002 0.000) 5.580 3.691 ( 1.928 1.028 0.000) 2.185 3.714 ( 0.973 4.714 0.000) 4.813 3.777 ( 0.367 1.708 0.000) 1.747 3.797 ( -3.132 1.561 0.000) 3.500 3.835 ( 0.293 0.372 0.000) 0.474 3.871 ( -0.779 0.822 0.000) 1.133 3.902 ( -2.227 2.226 0.000) 3.149 3.963 ( 2.549 -5.015 0.000) 5.625 4.200 ( -1.011 -0.892 0.000) 1.348 4.219 ( 0.171 1.158 0.000) 1.170 4.615 ( -0.259 0.305 0.000) 0.400 4.629 ( 0.599 0.734 0.000) 0.947 7.951 ( -0.089 -0.267 0.000) 0.281 7.954 ( 0.100 0.415 0.000) 0.427 8.277 ( -1.527 -2.211 0.000) 2.687 8.328 ( 1.719 4.036 0.000) 4.387 8.610 ( -0.995 -0.542 0.000) 1.133 8.641 ( 0.980 -0.465 0.000) 1.084 8.749 ( -0.894 -3.159 0.000) 3.283 8.774 ( 0.735 3.527 0.000) 3.603 8.978 ( -1.095 1.672 0.000) 1.999 9.003 ( 0.477 -1.807 0.000) 1.869 9.120 ( 0.250 -0.725 0.000) 0.767 9.121 ( 0.301 0.344 0.000) 0.457 ======================= Grid point 15 (11/63) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( -4.354 12.575 0.000) 13.307 0.949 ( -2.476 15.134 0.000) 15.335 1.280 ( 0.297 9.303 0.000) 9.308 1.333 ( 1.770 5.793 0.000) 6.057 1.405 ( 0.639 1.933 0.000) 2.036 1.465 ( -1.366 5.753 0.000) 5.913 1.505 ( 0.352 3.134 0.000) 3.153 1.604 ( 0.707 -4.122 0.000) 4.182 1.648 ( -0.142 0.560 0.000) 0.578 1.662 ( 1.202 -2.070 0.000) 2.394 1.716 ( -0.698 5.344 0.000) 5.389 1.756 ( 3.343 5.951 0.000) 6.825 1.789 ( -0.843 7.415 0.000) 7.463 1.791 ( -1.691 5.547 0.000) 5.799 1.874 ( -0.980 7.909 0.000) 7.970 1.911 ( -0.599 7.690 0.000) 7.714 1.929 ( 1.315 0.146 0.000) 1.323 1.959 ( -0.457 1.613 0.000) 1.677 1.966 ( -0.090 0.169 0.000) 0.192 2.009 ( -2.607 -2.319 0.000) 3.489 2.139 ( 1.388 2.280 0.000) 2.669 2.167 ( -0.325 1.584 0.000) 1.617 2.231 ( 4.917 -3.622 0.000) 6.107 2.338 ( 1.106 1.972 0.000) 2.261 2.342 ( -0.588 -1.923 0.000) 2.011 2.351 ( 7.600 -1.490 0.000) 7.745 2.353 ( -3.670 -1.139 0.000) 3.843 2.429 ( -4.489 0.304 0.000) 4.499 2.452 ( 0.200 -1.087 0.000) 1.106 2.560 ( -1.268 -0.596 0.000) 1.401 2.577 ( 1.014 -0.715 0.000) 1.241 2.592 ( -1.664 -0.356 0.000) 1.702 2.603 ( 0.460 -4.348 0.000) 4.372 2.604 ( -1.371 3.017 0.000) 3.314 2.680 ( -0.258 -0.892 0.000) 0.928 2.729 ( 3.008 -0.498 0.000) 3.049 2.754 ( -1.735 0.194 0.000) 1.746 2.771 ( -0.465 4.716 0.000) 4.739 2.793 ( -2.838 2.292 0.000) 3.648 2.931 ( -0.015 3.180 0.000) 3.180 2.954 ( -1.856 0.193 0.000) 1.866 2.972 ( 3.728 0.627 0.000) 3.780 3.008 ( -1.930 0.191 0.000) 1.939 3.077 ( 1.970 -0.662 0.000) 2.078 3.115 ( 0.500 1.520 0.000) 1.600 3.144 ( 3.399 -0.617 0.000) 3.454 3.166 ( -0.379 0.424 0.000) 0.569 3.191 ( -2.449 -1.344 0.000) 2.793 3.213 ( 2.720 0.955 0.000) 2.882 3.226 ( 0.376 -2.030 0.000) 2.064 3.280 ( 2.297 -3.099 0.000) 3.858 3.286 ( -1.012 -0.166 0.000) 1.025 3.313 ( -1.681 -1.960 0.000) 2.583 3.344 ( 0.327 -1.045 0.000) 1.095 3.430 ( 0.910 -2.920 0.000) 3.059 3.439 ( 0.255 2.222 0.000) 2.236 3.465 ( -2.070 -0.108 0.000) 2.073 3.534 ( -2.571 -1.150 0.000) 2.816 3.539 ( 3.316 1.809 0.000) 3.778 3.598 ( -1.121 7.310 0.000) 7.395 3.613 ( 2.743 4.981 0.000) 5.687 3.670 ( -2.335 -0.780 0.000) 2.462 3.719 ( 0.754 4.704 0.000) 4.764 3.721 ( -3.025 2.538 0.000) 3.949 3.784 ( -1.126 4.079 0.000) 4.232 3.815 ( -0.783 5.050 0.000) 5.110 3.856 ( 0.476 3.433 0.000) 3.465 4.064 ( 1.339 -4.837 0.000) 5.019 4.198 ( -0.082 1.016 0.000) 1.019 4.211 ( -0.636 -0.731 0.000) 0.969 4.606 ( -0.413 0.538 0.000) 0.678 4.616 ( 0.027 0.859 0.000) 0.860 7.942 ( 0.022 0.942 0.000) 0.943 7.950 ( -0.098 0.356 0.000) 0.370 8.275 ( 0.390 2.391 0.000) 2.422 8.316 ( -1.522 -2.996 0.000) 3.361 8.620 ( 0.026 -0.702 0.000) 0.702 8.639 ( 0.464 1.255 0.000) 1.339 8.697 ( -0.094 5.096 0.000) 5.097 8.806 ( -0.210 -3.518 0.000) 3.525 8.947 ( -0.517 1.011 0.000) 1.136 9.040 ( 0.257 -1.938 0.000) 1.955 9.108 ( 0.326 1.311 0.000) 1.351 9.130 ( 0.301 -0.251 0.000) 0.392 ======================= Grid point 16 (12/63) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -0.000 17.252 0.000) 17.252 0.643 ( -0.000 16.413 0.000) 16.413 1.100 ( -0.000 10.071 0.000) 10.071 1.216 ( -0.000 7.144 0.000) 7.144 1.285 ( -0.000 13.335 0.000) 13.335 1.311 ( -0.000 25.830 0.000) 25.830 1.372 ( -0.000 7.721 0.000) 7.721 1.396 ( -0.000 8.573 0.000) 8.573 1.541 ( -0.000 6.594 0.000) 6.594 1.638 ( -0.000 4.812 0.000) 4.812 1.644 ( -0.000 6.847 0.000) 6.847 1.667 ( -0.000 1.491 0.000) 1.491 1.703 ( -0.000 1.968 0.000) 1.968 1.726 ( -0.000 4.372 0.000) 4.372 1.734 ( 0.000 -1.163 0.000) 1.163 1.862 ( -0.000 2.600 0.000) 2.600 1.949 ( 0.000 -0.496 0.000) 0.496 1.976 ( 0.000 -1.892 0.000) 1.892 1.983 ( 0.000 -3.526 0.000) 3.526 2.012 ( -0.000 0.619 0.000) 0.619 2.104 ( -0.000 1.315 0.000) 1.315 2.127 ( -0.000 2.434 0.000) 2.434 2.289 ( -0.000 3.434 0.000) 3.434 2.324 ( -0.000 3.477 0.000) 3.477 2.352 ( 0.000 -6.107 0.000) 6.107 2.355 ( 0.000 -1.125 0.000) 1.125 2.398 ( 0.000 -2.382 0.000) 2.382 2.431 ( -0.000 2.353 0.000) 2.353 2.470 ( 0.000 -0.656 0.000) 0.656 2.499 ( -0.000 4.859 0.000) 4.859 2.530 ( -0.000 3.014 0.000) 3.014 2.574 ( 0.000 -0.051 0.000) 0.051 2.590 ( 0.000 -0.456 0.000) 0.456 2.687 ( -0.000 2.966 0.000) 2.966 2.725 ( 0.000 -2.882 0.000) 2.882 2.728 ( -0.000 3.636 0.000) 3.636 2.738 ( -0.000 0.456 0.000) 0.456 2.770 ( 0.000 -9.210 0.000) 9.210 2.795 ( 0.000 -3.876 0.000) 3.876 2.874 ( -0.000 2.317 0.000) 2.317 2.929 ( -0.000 0.325 0.000) 0.325 2.984 ( -0.000 0.515 0.000) 0.515 2.996 ( 0.000 -0.793 0.000) 0.793 3.085 ( -0.000 1.744 0.000) 1.744 3.095 ( 0.000 -0.174 0.000) 0.174 3.152 ( -0.000 0.289 0.000) 0.289 3.186 ( -0.000 1.661 0.000) 1.661 3.193 ( 0.000 -1.245 0.000) 1.245 3.196 ( -0.000 5.167 0.000) 5.167 3.215 ( 0.000 -3.572 0.000) 3.572 3.289 ( -0.000 0.932 0.000) 0.932 3.303 ( -0.000 1.608 0.000) 1.608 3.355 ( 0.000 -3.193 0.000) 3.193 3.375 ( 0.000 -1.593 0.000) 1.593 3.422 ( -0.000 2.710 0.000) 2.710 3.432 ( -0.000 4.608 0.000) 4.608 3.439 ( -0.000 1.637 0.000) 1.637 3.493 ( -0.000 4.184 0.000) 4.184 3.505 ( -0.000 0.240 0.000) 0.240 3.511 ( -0.000 1.863 0.000) 1.863 3.544 ( 0.000 -0.433 0.000) 0.433 3.628 ( -0.000 5.388 0.000) 5.388 3.644 ( -0.000 3.216 0.000) 3.216 3.680 ( -0.000 8.313 0.000) 8.313 3.696 ( -0.000 4.502 0.000) 4.502 3.723 ( 0.000 -1.358 0.000) 1.358 3.774 ( -0.000 5.074 0.000) 5.074 4.165 ( 0.000 -5.777 0.000) 5.777 4.184 ( -0.000 0.500 0.000) 0.500 4.216 ( 0.000 -0.048 0.000) 0.048 4.590 ( -0.000 0.971 0.000) 0.971 4.595 ( -0.000 1.604 0.000) 1.604 7.922 ( -0.000 1.146 0.000) 1.146 7.939 ( -0.000 0.765 0.000) 0.765 8.246 ( -0.000 0.945 0.000) 0.945 8.365 ( 0.000 -2.874 0.000) 2.874 8.595 ( -0.000 5.461 0.000) 5.461 8.606 ( -0.000 2.242 0.000) 2.242 8.633 ( 0.000 -0.539 0.000) 0.539 8.869 ( 0.000 -3.080 0.000) 3.080 8.936 ( -0.000 0.093 0.000) 0.093 9.073 ( 0.000 -1.525 0.000) 1.525 9.079 ( -0.000 1.915 0.000) 1.915 9.137 ( 0.000 -0.511 0.000) 0.511 ======================= Grid point 19 (13/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 16.588 0.000 0.000) 16.588 0.454 ( 17.823 0.000 0.000) 17.823 0.913 ( 35.174 0.000 0.000) 35.174 0.972 ( -0.473 -0.000 0.000) 0.473 1.053 ( 3.347 0.000 0.000) 3.347 1.099 ( -4.434 -0.000 0.000) 4.434 1.142 ( 17.999 0.000 0.000) 17.999 1.321 ( -1.064 -0.000 0.000) 1.064 1.410 ( -4.606 -0.000 0.000) 4.606 1.473 ( 1.196 0.000 0.000) 1.196 1.539 ( -0.144 -0.000 0.000) 0.144 1.613 ( -1.314 -0.000 0.000) 1.314 1.619 ( 8.088 0.000 0.000) 8.088 1.651 ( 1.443 0.000 0.000) 1.443 1.764 ( -1.636 -0.000 0.000) 1.636 1.835 ( 1.971 0.000 0.000) 1.971 1.867 ( -6.079 -0.000 0.000) 6.079 1.923 ( -9.867 -0.000 0.000) 9.867 2.019 ( -1.909 -0.000 0.000) 1.909 2.083 ( -6.629 -0.000 0.000) 6.629 2.107 ( 5.292 0.000 0.000) 5.292 2.128 ( 1.564 0.000 0.000) 1.564 2.183 ( 0.135 0.000 0.000) 0.135 2.244 ( 0.812 0.000 0.000) 0.812 2.324 ( -0.628 -0.000 0.000) 0.628 2.344 ( -4.584 -0.000 0.000) 4.584 2.367 ( -0.078 -0.000 0.000) 0.078 2.384 ( -1.701 -0.000 0.000) 1.701 2.474 ( -15.623 -0.000 0.000) 15.623 2.495 ( 2.622 0.000 0.000) 2.622 2.501 ( -1.205 -0.000 0.000) 1.205 2.547 ( 2.266 0.000 0.000) 2.266 2.626 ( 1.511 0.000 0.000) 1.511 2.655 ( 2.411 0.000 0.000) 2.411 2.666 ( 1.699 0.000 0.000) 1.699 2.694 ( 1.733 0.000 0.000) 1.733 2.766 ( -7.351 -0.000 0.000) 7.351 2.775 ( -4.701 -0.000 0.000) 4.701 2.806 ( 1.401 0.000 0.000) 1.401 2.807 ( -1.341 -0.000 0.000) 1.341 2.883 ( -0.700 -0.000 0.000) 0.700 2.901 ( -0.586 -0.000 0.000) 0.586 3.001 ( -1.874 -0.000 0.000) 1.874 3.056 ( -5.434 -0.000 0.000) 5.434 3.075 ( -8.602 -0.000 0.000) 8.602 3.104 ( 2.904 0.000 0.000) 2.904 3.122 ( 0.532 0.000 0.000) 0.532 3.160 ( 0.347 0.000 0.000) 0.347 3.166 ( -0.159 -0.000 0.000) 0.159 3.187 ( -0.286 -0.000 0.000) 0.286 3.223 ( 1.514 0.000 0.000) 1.514 3.297 ( 2.854 0.000 0.000) 2.854 3.318 ( -0.901 -0.000 0.000) 0.901 3.336 ( -1.983 -0.000 0.000) 1.983 3.376 ( -1.989 -0.000 0.000) 1.989 3.406 ( -2.085 -0.000 0.000) 2.085 3.427 ( 1.957 0.000 0.000) 1.957 3.440 ( 4.350 0.000 0.000) 4.350 3.442 ( 2.030 0.000 0.000) 2.030 3.455 ( -1.013 -0.000 0.000) 1.013 3.594 ( 1.510 0.000 0.000) 1.510 3.634 ( 0.913 0.000 0.000) 0.913 3.642 ( 8.251 0.000 0.000) 8.251 3.657 ( 13.551 0.000 0.000) 13.551 3.674 ( 0.103 0.000 0.000) 0.103 3.743 ( -3.547 -0.000 0.000) 3.547 3.773 ( 5.115 0.000 0.000) 5.115 3.942 ( 0.942 0.000 0.000) 0.942 4.206 ( -0.812 -0.000 0.000) 0.812 4.289 ( -5.811 -0.000 0.000) 5.811 4.586 ( 3.122 0.000 0.000) 3.122 4.604 ( 2.694 0.000 0.000) 2.694 7.900 ( 0.364 0.000 0.000) 0.364 7.925 ( 0.476 0.000 0.000) 0.476 8.258 ( 1.338 0.000 0.000) 1.338 8.465 ( -0.334 -0.000 0.000) 0.334 8.566 ( 0.938 0.000 0.000) 0.938 8.660 ( 0.226 0.000 0.000) 0.226 8.758 ( 1.251 0.000 0.000) 1.251 8.818 ( 0.064 0.000 0.000) 0.064 8.951 ( 0.058 0.000 0.000) 0.058 9.014 ( -0.143 -0.000 0.000) 0.143 9.099 ( -3.110 -0.000 0.000) 3.110 9.110 ( 0.186 0.000 0.000) 0.186 ======================= Grid point 20 (14/63) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 13.628 -10.250 0.000) 17.052 0.728 ( 13.646 -13.823 0.000) 19.423 1.001 ( -3.201 -4.702 0.000) 5.688 1.088 ( 5.515 -2.314 0.000) 5.980 1.151 ( -2.829 -8.386 0.000) 8.850 1.235 ( 18.351 -11.773 0.000) 21.802 1.335 ( 12.963 -6.916 0.000) 14.693 1.341 ( 3.535 -3.467 0.000) 4.951 1.385 ( -6.772 -1.292 0.000) 6.894 1.527 ( 2.619 -4.406 0.000) 5.126 1.553 ( 2.532 -0.784 0.000) 2.650 1.624 ( -1.518 -2.266 0.000) 2.728 1.672 ( 1.420 -1.144 0.000) 1.824 1.738 ( 7.871 -5.708 0.000) 9.723 1.767 ( -2.350 -1.758 0.000) 2.934 1.787 ( -8.090 2.162 0.000) 8.374 1.872 ( 3.562 -2.507 0.000) 4.355 1.909 ( -6.744 -3.232 0.000) 7.478 1.952 ( -2.484 3.582 0.000) 4.359 2.052 ( -6.385 -0.997 0.000) 6.463 2.066 ( -1.301 6.095 0.000) 6.232 2.114 ( 3.731 0.514 0.000) 3.766 2.190 ( 1.007 -1.400 0.000) 1.724 2.281 ( -5.140 4.179 0.000) 6.624 2.290 ( -2.418 -1.521 0.000) 2.857 2.350 ( -1.526 -2.589 0.000) 3.005 2.363 ( 1.610 -5.446 0.000) 5.679 2.372 ( -5.830 -0.504 0.000) 5.851 2.403 ( -3.792 -0.969 0.000) 3.913 2.472 ( -4.764 0.877 0.000) 4.844 2.576 ( 2.412 -0.765 0.000) 2.531 2.583 ( 2.297 -0.783 0.000) 2.427 2.627 ( -0.335 1.004 0.000) 1.058 2.674 ( 2.483 -0.201 0.000) 2.491 2.675 ( -2.841 -2.209 0.000) 3.599 2.710 ( 3.729 -3.331 0.000) 5.000 2.749 ( 0.306 0.737 0.000) 0.798 2.756 ( -4.583 -0.835 0.000) 4.658 2.827 ( -0.811 -1.636 0.000) 1.826 2.864 ( 1.163 -3.567 0.000) 3.752 2.884 ( 1.740 -0.664 0.000) 1.863 2.921 ( -2.835 -1.629 0.000) 3.269 2.973 ( -2.382 -0.734 0.000) 2.492 2.988 ( -5.163 0.869 0.000) 5.236 3.053 ( -2.762 1.877 0.000) 3.339 3.093 ( 1.100 1.553 0.000) 1.903 3.110 ( -1.713 -2.287 0.000) 2.857 3.130 ( -1.114 2.927 0.000) 3.132 3.195 ( -0.221 -0.079 0.000) 0.235 3.206 ( 1.873 0.270 0.000) 1.893 3.219 ( -1.314 -3.847 0.000) 4.065 3.301 ( 0.690 2.818 0.000) 2.901 3.326 ( 2.491 1.329 0.000) 2.824 3.340 ( -2.362 -2.945 0.000) 3.775 3.395 ( -3.062 -0.706 0.000) 3.142 3.412 ( 0.655 -0.890 0.000) 1.105 3.438 ( -0.602 -6.324 0.000) 6.353 3.460 ( -1.442 -0.597 0.000) 1.560 3.491 ( 3.784 -3.135 0.000) 4.914 3.531 ( 2.157 -4.412 0.000) 4.911 3.552 ( 0.935 4.353 0.000) 4.452 3.671 ( 2.026 -2.438 0.000) 3.170 3.686 ( 6.097 0.786 0.000) 6.148 3.716 ( 4.534 -2.852 0.000) 5.356 3.720 ( 1.511 -3.093 0.000) 3.443 3.777 ( 2.719 -1.977 0.000) 3.361 3.805 ( 4.796 -0.398 0.000) 4.812 3.963 ( -3.475 -1.184 0.000) 3.671 4.208 ( -1.041 -0.817 0.000) 1.323 4.233 ( -3.793 1.775 0.000) 4.187 4.611 ( 2.098 -0.673 0.000) 2.203 4.624 ( 2.458 -0.404 0.000) 2.491 7.909 ( 0.329 -0.669 0.000) 0.746 7.934 ( 0.430 -0.591 0.000) 0.731 8.259 ( 0.895 0.619 0.000) 1.088 8.493 ( -0.227 -2.951 0.000) 2.959 8.574 ( 1.194 0.183 0.000) 1.208 8.661 ( -0.365 -0.223 0.000) 0.427 8.663 ( 4.633 7.044 0.000) 8.431 8.847 ( -1.679 -0.814 0.000) 1.866 8.949 ( 0.303 0.084 0.000) 0.315 9.031 ( 0.138 -1.613 0.000) 1.619 9.078 ( -1.881 0.577 0.000) 1.967 9.104 ( -0.599 0.343 0.000) 0.690 ======================= Grid point 21 (15/63) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 9.767 -12.138 0.000) 15.579 1.040 ( 11.714 -11.503 0.000) 16.417 1.092 ( -3.818 -7.115 0.000) 8.074 1.211 ( 4.909 -7.162 0.000) 8.683 1.285 ( -3.094 -7.318 0.000) 7.945 1.368 ( -6.159 -6.464 0.000) 8.928 1.382 ( -7.014 -3.427 0.000) 7.807 1.493 ( 2.548 -4.742 0.000) 5.383 1.568 ( 1.060 -1.011 0.000) 1.465 1.615 ( 10.493 -5.112 0.000) 11.672 1.638 ( 0.337 -5.121 0.000) 5.132 1.687 ( 0.516 0.120 0.000) 0.530 1.729 ( 2.670 -10.915 0.000) 11.237 1.745 ( 0.804 -2.371 0.000) 2.503 1.799 ( -2.688 -3.885 0.000) 4.725 1.873 ( 2.189 -4.071 0.000) 4.622 1.888 ( 2.281 3.079 0.000) 3.832 1.929 ( -2.799 -1.614 0.000) 3.231 1.958 ( -0.790 -1.089 0.000) 1.345 1.987 ( 2.301 -4.257 0.000) 4.839 2.051 ( -4.897 -3.196 0.000) 5.848 2.149 ( 1.536 -1.026 0.000) 1.847 2.195 ( -3.897 2.041 0.000) 4.399 2.217 ( 2.423 -0.358 0.000) 2.449 2.329 ( 0.053 -3.632 0.000) 3.632 2.356 ( -2.565 0.506 0.000) 2.614 2.361 ( -3.423 -1.393 0.000) 3.696 2.397 ( -2.834 -0.115 0.000) 2.836 2.417 ( -2.673 -0.495 0.000) 2.719 2.526 ( 1.065 -7.828 0.000) 7.900 2.528 ( -3.845 1.770 0.000) 4.232 2.582 ( -2.366 0.863 0.000) 2.518 2.589 ( 1.368 2.136 0.000) 2.536 2.682 ( 1.844 0.094 0.000) 1.847 2.718 ( -0.770 3.481 0.000) 3.565 2.740 ( 1.466 0.126 0.000) 1.471 2.793 ( -0.295 -3.558 0.000) 3.570 2.812 ( 4.750 -2.732 0.000) 5.480 2.852 ( -0.387 -1.584 0.000) 1.630 2.856 ( -0.484 -1.154 0.000) 1.252 2.923 ( 4.215 -2.029 0.000) 4.678 2.949 ( 1.091 -2.912 0.000) 3.110 2.976 ( -4.608 -1.792 0.000) 4.945 3.020 ( -2.382 -1.724 0.000) 2.941 3.025 ( -0.491 -2.220 0.000) 2.274 3.070 ( -0.517 1.381 0.000) 1.475 3.087 ( -1.987 -0.343 0.000) 2.017 3.149 ( -3.208 1.701 0.000) 3.631 3.177 ( 0.318 -3.581 0.000) 3.595 3.194 ( -1.953 2.147 0.000) 2.902 3.254 ( 2.391 -1.337 0.000) 2.740 3.297 ( -0.036 0.389 0.000) 0.391 3.336 ( 1.414 -1.382 0.000) 1.977 3.348 ( -1.231 0.561 0.000) 1.352 3.399 ( -0.688 0.474 0.000) 0.835 3.434 ( -1.418 -2.411 0.000) 2.797 3.443 ( -0.868 1.388 0.000) 1.637 3.473 ( -3.208 2.439 0.000) 4.030 3.544 ( 1.262 -2.445 0.000) 2.752 3.585 ( 0.535 -3.604 0.000) 3.644 3.624 ( 7.417 -4.953 0.000) 8.919 3.720 ( -0.217 -2.373 0.000) 2.383 3.746 ( 3.395 -3.529 0.000) 4.897 3.772 ( 1.724 -1.255 0.000) 2.133 3.785 ( 2.430 -2.702 0.000) 3.634 3.814 ( 2.461 -0.213 0.000) 2.471 3.862 ( 4.057 -2.306 0.000) 4.666 3.927 ( -7.084 0.906 0.000) 7.141 4.198 ( -1.016 0.529 0.000) 1.145 4.221 ( -0.676 -1.011 0.000) 1.216 4.627 ( 0.982 0.015 0.000) 0.982 4.643 ( 1.599 -0.128 0.000) 1.604 7.926 ( 0.152 -0.922 0.000) 0.935 7.948 ( 0.266 -0.627 0.000) 0.681 8.250 ( 0.103 0.510 0.000) 0.520 8.537 ( 4.268 6.434 0.000) 7.720 8.556 ( -0.407 -3.801 0.000) 3.823 8.601 ( -0.833 0.550 0.000) 0.998 8.668 ( -0.159 -0.964 0.000) 0.977 8.842 ( -0.430 0.420 0.000) 0.601 8.956 ( 0.351 -0.630 0.000) 0.721 9.048 ( -0.961 1.841 0.000) 2.077 9.066 ( 0.226 -1.951 0.000) 1.964 9.104 ( -0.585 -0.795 0.000) 0.987 ======================= Grid point 22 (16/63) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 1.234 -4.207 0.000) 4.384 1.212 ( 0.562 -8.852 0.000) 8.870 1.271 ( 5.795 -4.824 0.000) 7.540 1.362 ( 2.927 -2.522 0.000) 3.864 1.383 ( 4.063 -7.741 0.000) 8.742 1.435 ( -3.630 -6.171 0.000) 7.159 1.444 ( -7.495 -5.828 0.000) 9.494 1.534 ( 0.874 3.718 0.000) 3.819 1.552 ( -2.802 -2.708 0.000) 3.897 1.590 ( -2.415 4.342 0.000) 4.968 1.720 ( 0.644 -3.965 0.000) 4.017 1.773 ( 4.994 -5.462 0.000) 7.401 1.836 ( 1.740 -4.152 0.000) 4.501 1.859 ( 0.057 -0.268 0.000) 0.274 1.870 ( -0.757 -3.641 0.000) 3.719 1.897 ( -3.950 -4.589 0.000) 6.055 1.904 ( -2.550 -0.509 0.000) 2.600 1.949 ( 1.030 -1.177 0.000) 1.564 2.015 ( 1.497 -2.742 0.000) 3.124 2.104 ( -1.275 -3.953 0.000) 4.153 2.115 ( -0.229 4.442 0.000) 4.448 2.134 ( 4.028 -6.392 0.000) 7.555 2.166 ( -0.231 -0.397 0.000) 0.459 2.238 ( 4.349 1.090 0.000) 4.483 2.329 ( -4.709 -1.312 0.000) 4.888 2.363 ( 0.252 0.402 0.000) 0.475 2.400 ( 2.777 -2.135 0.000) 3.502 2.421 ( -1.658 -5.313 0.000) 5.566 2.449 ( -1.210 -4.066 0.000) 4.243 2.492 ( -2.606 0.707 0.000) 2.700 2.514 ( -3.031 3.502 0.000) 4.632 2.565 ( 3.427 1.950 0.000) 3.943 2.617 ( -2.461 4.444 0.000) 5.080 2.652 ( 0.233 -3.760 0.000) 3.767 2.710 ( 1.460 -1.401 0.000) 2.024 2.761 ( 2.136 -0.174 0.000) 2.143 2.792 ( -3.300 -0.787 0.000) 3.393 2.797 ( -0.384 3.230 0.000) 3.252 2.919 ( 1.651 -0.216 0.000) 1.665 2.921 ( 1.272 -4.217 0.000) 4.405 2.992 ( -0.571 1.675 0.000) 1.770 2.998 ( 0.619 -1.188 0.000) 1.339 3.002 ( 1.489 0.261 0.000) 1.512 3.008 ( 3.391 -3.252 0.000) 4.698 3.051 ( -1.825 -1.169 0.000) 2.167 3.096 ( -0.669 -2.143 0.000) 2.245 3.103 ( 0.000 -5.082 0.000) 5.082 3.124 ( -3.756 1.254 0.000) 3.959 3.140 ( -2.702 -2.721 0.000) 3.835 3.256 ( 4.196 -0.972 0.000) 4.308 3.265 ( 0.844 1.192 0.000) 1.461 3.273 ( 1.141 2.266 0.000) 2.538 3.321 ( -0.378 1.542 0.000) 1.588 3.329 ( -2.664 1.258 0.000) 2.946 3.376 ( -1.278 0.741 0.000) 1.477 3.394 ( -2.243 0.025 0.000) 2.243 3.474 ( -1.158 -2.818 0.000) 3.047 3.482 ( -0.695 -2.655 0.000) 2.745 3.549 ( 0.524 1.978 0.000) 2.046 3.635 ( 0.990 -1.960 0.000) 2.195 3.746 ( 8.015 -0.335 0.000) 8.022 3.768 ( -0.474 -2.009 0.000) 2.064 3.782 ( 1.412 0.787 0.000) 1.616 3.812 ( -0.744 1.485 0.000) 1.661 3.820 ( 2.494 -2.474 0.000) 3.512 3.842 ( -0.069 -2.355 0.000) 2.356 3.877 ( -7.454 -1.406 0.000) 7.586 3.917 ( 2.036 -1.909 0.000) 2.791 4.189 ( -0.316 0.131 0.000) 0.342 4.230 ( -0.143 -0.124 0.000) 0.189 4.624 ( 0.230 0.604 0.000) 0.646 4.646 ( 0.634 0.571 0.000) 0.853 7.942 ( 0.012 -0.734 0.000) 0.734 7.957 ( 0.098 -0.168 0.000) 0.194 8.248 ( -0.328 -0.469 0.000) 0.572 8.434 ( 1.684 6.279 0.000) 6.501 8.596 ( -0.756 -0.335 0.000) 0.826 8.615 ( -0.079 -2.662 0.000) 2.663 8.697 ( -0.112 -2.147 0.000) 2.150 8.825 ( 0.293 1.613 0.000) 1.640 8.975 ( 0.167 -1.325 0.000) 1.336 9.006 ( -0.643 2.017 0.000) 2.117 9.100 ( 0.171 -1.529 0.000) 1.539 9.118 ( -0.015 -0.716 0.000) 0.716 ======================= Grid point 23 (17/63) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( -0.000 6.488 0.000) 6.488 1.187 ( -0.000 11.052 0.000) 11.052 1.372 ( 0.000 -6.335 0.000) 6.335 1.409 ( -0.000 2.463 0.000) 2.463 1.438 ( -0.000 6.568 0.000) 6.568 1.514 ( 0.000 -5.015 0.000) 5.015 1.531 ( 0.000 -2.614 0.000) 2.614 1.532 ( -0.000 1.418 0.000) 1.418 1.553 ( 0.000 -7.357 0.000) 7.357 1.586 ( 0.000 -3.806 0.000) 3.806 1.762 ( -0.000 0.007 0.000) 0.007 1.855 ( -0.000 1.049 0.000) 1.049 1.855 ( -0.000 1.268 0.000) 1.268 1.885 ( -0.000 2.873 0.000) 2.873 1.894 ( 0.000 -1.594 0.000) 1.594 1.928 ( 0.000 -4.490 0.000) 4.490 1.929 ( 0.000 -0.904 0.000) 0.904 1.949 ( -0.000 1.460 0.000) 1.460 2.005 ( -0.000 3.228 0.000) 3.228 2.053 ( -0.000 1.410 0.000) 1.410 2.149 ( 0.000 -1.082 0.000) 1.082 2.180 ( 0.000 -0.294 0.000) 0.294 2.259 ( 0.000 -6.695 0.000) 6.695 2.264 ( 0.000 -3.214 0.000) 3.214 2.298 ( -0.000 4.899 0.000) 4.899 2.385 ( 0.000 -2.542 0.000) 2.542 2.400 ( -0.000 5.050 0.000) 5.050 2.429 ( -0.000 3.906 0.000) 3.906 2.460 ( -0.000 1.841 0.000) 1.841 2.472 ( 0.000 -5.270 0.000) 5.270 2.547 ( 0.000 -4.367 0.000) 4.367 2.561 ( -0.000 1.122 0.000) 1.122 2.608 ( 0.000 -3.225 0.000) 3.225 2.637 ( -0.000 4.202 0.000) 4.202 2.727 ( -0.000 3.984 0.000) 3.984 2.738 ( 0.000 -1.251 0.000) 1.251 2.749 ( -0.000 1.550 0.000) 1.550 2.799 ( 0.000 -0.239 0.000) 0.239 2.867 ( -0.000 4.699 0.000) 4.699 2.954 ( -0.000 1.247 0.000) 1.247 2.979 ( -0.000 2.077 0.000) 2.077 2.990 ( 0.000 -2.012 0.000) 2.012 2.998 ( -0.000 0.775 0.000) 0.775 3.052 ( 0.000 -1.655 0.000) 1.655 3.100 ( 0.000 -3.479 0.000) 3.479 3.146 ( 0.000 -2.685 0.000) 2.685 3.162 ( 0.000 -0.912 0.000) 0.912 3.169 ( 0.000 -0.867 0.000) 0.867 3.171 ( 0.000 -4.154 0.000) 4.154 3.235 ( -0.000 1.179 0.000) 1.179 3.246 ( 0.000 -1.217 0.000) 1.217 3.263 ( -0.000 2.007 0.000) 2.007 3.299 ( -0.000 0.469 0.000) 0.469 3.341 ( 0.000 -1.445 0.000) 1.445 3.360 ( 0.000 -2.589 0.000) 2.589 3.426 ( 0.000 -2.458 0.000) 2.458 3.497 ( -0.000 3.426 0.000) 3.426 3.515 ( 0.000 -0.967 0.000) 0.967 3.524 ( 0.000 -2.823 0.000) 2.823 3.657 ( -0.000 0.114 0.000) 0.114 3.717 ( -0.000 5.213 0.000) 5.213 3.737 ( -0.000 4.612 0.000) 4.612 3.745 ( -0.000 2.330 0.000) 2.330 3.788 ( -0.000 1.877 0.000) 1.877 3.840 ( -0.000 1.710 0.000) 1.710 3.860 ( -0.000 0.336 0.000) 0.336 3.886 ( 0.000 -0.424 0.000) 0.424 3.981 ( 0.000 -4.412 0.000) 4.412 4.193 ( 0.000 -0.740 0.000) 0.740 4.220 ( -0.000 1.158 0.000) 1.158 4.614 ( -0.000 0.525 0.000) 0.525 4.633 ( -0.000 0.934 0.000) 0.934 7.951 ( 0.000 -0.231 0.000) 0.231 7.955 ( -0.000 0.441 0.000) 0.441 8.267 ( 0.000 -1.840 0.000) 1.840 8.339 ( -0.000 4.445 0.000) 4.445 8.604 ( 0.000 -0.753 0.000) 0.753 8.647 ( 0.000 -0.699 0.000) 0.699 8.743 ( 0.000 -3.076 0.000) 3.076 8.779 ( -0.000 3.612 0.000) 3.612 8.970 ( -0.000 1.628 0.000) 1.628 9.005 ( 0.000 -1.841 0.000) 1.841 9.122 ( 0.000 -0.764 0.000) 0.764 9.124 ( -0.000 0.237 0.000) 0.237 ======================= Grid point 28 (18/63) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 14.862 0.000 0.000) 14.862 0.663 ( 15.891 0.000 0.000) 15.891 0.911 ( -8.136 -0.000 0.000) 8.136 1.013 ( -9.294 -0.000 0.000) 9.294 1.132 ( 7.878 0.000 0.000) 7.878 1.265 ( 8.586 0.000 0.000) 8.586 1.334 ( -7.134 -0.000 0.000) 7.134 1.364 ( 17.172 0.000 0.000) 17.172 1.371 ( 22.275 0.000 0.000) 22.275 1.502 ( 2.677 0.000 0.000) 2.677 1.550 ( 1.694 0.000 0.000) 1.694 1.594 ( -1.640 -0.000 0.000) 1.640 1.675 ( 2.316 0.000 0.000) 2.316 1.723 ( 5.642 0.000 0.000) 5.642 1.740 ( -2.125 -0.000 0.000) 2.125 1.792 ( -8.404 -0.000 0.000) 8.404 1.797 ( -4.919 -0.000 0.000) 4.919 1.855 ( 1.149 0.000 0.000) 1.149 1.966 ( -8.740 -0.000 0.000) 8.740 1.993 ( -7.969 -0.000 0.000) 7.969 2.148 ( 1.507 0.000 0.000) 1.507 2.166 ( 3.285 0.000 0.000) 3.285 2.186 ( 0.964 0.000 0.000) 0.964 2.240 ( -16.510 -0.000 0.000) 16.510 2.247 ( -0.729 -0.000 0.000) 0.729 2.277 ( -2.354 -0.000 0.000) 2.354 2.345 ( 0.652 0.000 0.000) 0.652 2.367 ( 0.003 0.000 0.000) 0.003 2.382 ( -0.909 -0.000 0.000) 0.909 2.456 ( -3.787 -0.000 0.000) 3.787 2.518 ( 1.235 0.000 0.000) 1.235 2.610 ( 5.398 0.000 0.000) 5.398 2.634 ( -0.966 -0.000 0.000) 0.966 2.670 ( 0.504 0.000 0.000) 0.504 2.703 ( 3.685 0.000 0.000) 3.685 2.715 ( -1.866 -0.000 0.000) 1.866 2.718 ( 1.933 0.000 0.000) 1.933 2.722 ( -2.024 -0.000 0.000) 2.024 2.807 ( -1.012 -0.000 0.000) 1.012 2.812 ( 0.841 0.000 0.000) 0.841 2.875 ( -0.378 -0.000 0.000) 0.378 2.893 ( -0.544 -0.000 0.000) 0.544 2.966 ( -8.206 -0.000 0.000) 8.206 2.975 ( -1.986 -0.000 0.000) 1.986 3.005 ( -2.998 -0.000 0.000) 2.998 3.121 ( 0.088 0.000 0.000) 0.088 3.130 ( 0.590 0.000 0.000) 0.590 3.159 ( -0.630 -0.000 0.000) 0.630 3.184 ( 3.343 0.000 0.000) 3.343 3.212 ( 3.680 0.000 0.000) 3.680 3.225 ( -0.578 -0.000 0.000) 0.578 3.306 ( -0.873 -0.000 0.000) 0.873 3.306 ( -2.863 -0.000 0.000) 2.863 3.317 ( -1.266 -0.000 0.000) 1.266 3.351 ( -0.216 -0.000 0.000) 0.216 3.383 ( -1.339 -0.000 0.000) 1.339 3.445 ( 0.989 0.000 0.000) 0.989 3.445 ( -0.582 -0.000 0.000) 0.582 3.449 ( -0.676 -0.000 0.000) 0.676 3.517 ( 7.349 0.000 0.000) 7.349 3.615 ( 1.537 0.000 0.000) 1.537 3.644 ( 0.594 0.000 0.000) 0.594 3.681 ( 0.810 0.000 0.000) 0.810 3.687 ( -5.487 -0.000 0.000) 5.487 3.726 ( 4.705 0.000 0.000) 4.705 3.802 ( 9.603 0.000 0.000) 9.603 3.830 ( 3.971 0.000 0.000) 3.971 3.950 ( 0.209 0.000 0.000) 0.209 4.192 ( -1.381 -0.000 0.000) 1.381 4.218 ( -5.157 -0.000 0.000) 5.157 4.617 ( 1.819 0.000 0.000) 1.819 4.635 ( 2.090 0.000 0.000) 2.090 7.905 ( 0.351 0.000 0.000) 0.351 7.931 ( 0.381 0.000 0.000) 0.381 8.273 ( 0.936 0.000 0.000) 0.936 8.464 ( 0.110 0.000 0.000) 0.110 8.576 ( 0.697 0.000 0.000) 0.697 8.654 ( -0.915 -0.000 0.000) 0.915 8.772 ( 0.896 0.000 0.000) 0.896 8.818 ( -0.080 -0.000 0.000) 0.080 8.952 ( 0.041 0.000 0.000) 0.041 9.017 ( 0.526 0.000 0.000) 0.526 9.065 ( -2.154 -0.000 0.000) 2.154 9.112 ( 0.119 0.000 0.000) 0.119 ======================= Grid point 29 (19/63) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.788 ( 12.063 -8.225 0.000) 14.600 0.888 ( 11.492 -11.994 0.000) 16.611 0.919 ( -9.021 -6.533 0.000) 11.138 1.058 ( -9.085 -10.166 0.000) 13.634 1.181 ( 8.203 -1.104 0.000) 8.276 1.292 ( -7.933 -0.775 0.000) 7.971 1.293 ( -0.412 -1.518 0.000) 1.573 1.476 ( 8.795 -1.333 0.000) 8.896 1.534 ( 10.961 -2.370 0.000) 11.215 1.555 ( 0.605 -3.719 0.000) 3.768 1.601 ( -1.149 -2.886 0.000) 3.107 1.621 ( 9.975 -3.442 0.000) 10.552 1.697 ( 2.903 -0.546 0.000) 2.954 1.702 ( -4.583 -1.564 0.000) 4.842 1.739 ( -1.663 -1.384 0.000) 2.163 1.807 ( -1.328 -3.508 0.000) 3.751 1.866 ( 5.092 -5.058 0.000) 7.177 1.874 ( -6.222 -1.449 0.000) 6.388 1.921 ( -0.804 -3.967 0.000) 4.048 1.965 ( -7.556 -1.999 0.000) 7.816 2.063 ( 0.984 8.461 0.000) 8.518 2.141 ( 0.793 0.811 0.000) 1.134 2.165 ( -9.626 0.076 0.000) 9.626 2.212 ( 2.138 -1.504 0.000) 2.614 2.259 ( -2.151 -1.965 0.000) 2.913 2.322 ( -0.806 0.948 0.000) 1.244 2.350 ( 0.846 -2.840 0.000) 2.964 2.377 ( 0.658 -5.970 0.000) 6.006 2.380 ( -1.189 -0.786 0.000) 1.425 2.418 ( -3.216 1.579 0.000) 3.583 2.574 ( -1.295 4.986 0.000) 5.152 2.601 ( 0.586 1.797 0.000) 1.890 2.626 ( 0.159 1.284 0.000) 1.294 2.667 ( 0.132 -8.829 0.000) 8.830 2.708 ( 2.660 0.663 0.000) 2.741 2.736 ( 0.526 -0.787 0.000) 0.947 2.749 ( 0.887 -4.434 0.000) 4.522 2.752 ( -0.079 0.553 0.000) 0.559 2.824 ( 1.928 -3.015 0.000) 3.579 2.879 ( 0.334 0.468 0.000) 0.575 2.901 ( 0.132 -3.821 0.000) 3.823 2.906 ( 0.909 -1.924 0.000) 2.128 2.912 ( -5.284 -0.541 0.000) 5.311 2.944 ( -1.909 -0.388 0.000) 1.948 3.023 ( -1.851 -0.066 0.000) 1.852 3.103 ( -0.035 -1.195 0.000) 1.195 3.105 ( 0.462 1.680 0.000) 1.742 3.124 ( 0.102 2.836 0.000) 2.838 3.176 ( -1.356 2.734 0.000) 3.052 3.214 ( 0.164 -0.001 0.000) 0.164 3.244 ( 2.640 -0.909 0.000) 2.792 3.311 ( -2.073 -3.151 0.000) 3.772 3.313 ( 1.831 1.856 0.000) 2.607 3.346 ( -2.328 -0.003 0.000) 2.328 3.373 ( 2.009 -1.887 0.000) 2.756 3.415 ( -0.058 0.479 0.000) 0.482 3.430 ( -2.773 1.113 0.000) 2.988 3.432 ( -0.177 -8.876 0.000) 8.877 3.516 ( 0.584 -4.217 0.000) 4.257 3.561 ( 0.458 4.875 0.000) 4.897 3.589 ( 6.369 -2.825 0.000) 6.967 3.672 ( -5.362 -2.574 0.000) 5.948 3.684 ( 0.489 -2.245 0.000) 2.297 3.731 ( 0.603 -3.494 0.000) 3.546 3.761 ( 1.856 -1.477 0.000) 2.372 3.845 ( 5.213 0.618 0.000) 5.249 3.854 ( 2.520 -0.710 0.000) 2.618 3.934 ( -1.709 1.756 0.000) 2.451 4.192 ( -2.144 -0.074 0.000) 2.145 4.195 ( -0.826 -1.056 0.000) 1.341 4.630 ( 0.809 -0.337 0.000) 0.876 4.648 ( 1.084 -0.234 0.000) 1.109 7.912 ( 0.171 -0.596 0.000) 0.620 7.938 ( 0.193 -0.549 0.000) 0.582 8.267 ( 0.362 0.924 0.000) 0.993 8.492 ( 0.052 -2.765 0.000) 2.766 8.583 ( 0.402 -0.271 0.000) 0.485 8.653 ( -0.539 -0.482 0.000) 0.723 8.700 ( 1.478 6.598 0.000) 6.761 8.834 ( -0.534 -0.766 0.000) 0.933 8.951 ( 0.090 -0.061 0.000) 0.109 9.035 ( 0.302 -1.483 0.000) 1.513 9.059 ( -0.908 -0.191 0.000) 0.928 9.101 ( -0.095 0.926 0.000) 0.931 ======================= Grid point 30 (20/63) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 0.000 -8.863 0.000) 8.863 1.027 ( 0.000 -10.270 0.000) 10.270 1.143 ( 0.000 -10.598 0.000) 10.598 1.232 ( 0.000 -11.274 0.000) 11.274 1.289 ( 0.000 -5.943 0.000) 5.943 1.291 ( 0.000 -4.304 0.000) 4.304 1.332 ( 0.000 -3.063 0.000) 3.063 1.510 ( 0.000 -0.970 0.000) 0.970 1.574 ( -0.000 0.094 0.000) 0.094 1.634 ( 0.000 -5.132 0.000) 5.132 1.675 ( -0.000 3.204 0.000) 3.204 1.712 ( 0.000 -3.461 0.000) 3.461 1.739 ( 0.000 -9.133 0.000) 9.133 1.767 ( 0.000 -4.572 0.000) 4.572 1.780 ( 0.000 -3.827 0.000) 3.827 1.860 ( 0.000 -2.869 0.000) 2.869 1.898 ( -0.000 1.755 0.000) 1.755 1.938 ( 0.000 -0.446 0.000) 0.446 1.946 ( 0.000 -1.795 0.000) 1.795 2.009 ( 0.000 -5.569 0.000) 5.569 2.043 ( 0.000 -6.326 0.000) 6.326 2.143 ( 0.000 -1.174 0.000) 1.174 2.154 ( 0.000 -0.440 0.000) 0.440 2.260 ( 0.000 -2.442 0.000) 2.442 2.285 ( 0.000 -0.528 0.000) 0.528 2.331 ( 0.000 -2.381 0.000) 2.381 2.377 ( 0.000 -0.780 0.000) 0.780 2.383 ( -0.000 0.669 0.000) 0.669 2.385 ( 0.000 -1.319 0.000) 1.319 2.495 ( -0.000 1.865 0.000) 1.865 2.533 ( 0.000 -8.481 0.000) 8.481 2.566 ( -0.000 2.457 0.000) 2.457 2.604 ( -0.000 1.419 0.000) 1.419 2.695 ( -0.000 0.123 0.000) 0.123 2.712 ( -0.000 4.143 0.000) 4.143 2.751 ( 0.000 -0.791 0.000) 0.791 2.778 ( -0.000 0.069 0.000) 0.069 2.841 ( 0.000 -4.719 0.000) 4.719 2.858 ( -0.000 2.767 0.000) 2.767 2.863 ( 0.000 -4.577 0.000) 4.577 2.935 ( 0.000 -4.663 0.000) 4.663 2.972 ( 0.000 -3.014 0.000) 3.014 2.980 ( 0.000 -5.555 0.000) 5.555 2.992 ( 0.000 -3.240 0.000) 3.240 2.995 ( 0.000 -0.197 0.000) 0.197 3.064 ( -0.000 2.500 0.000) 2.500 3.082 ( -0.000 1.629 0.000) 1.629 3.125 ( -0.000 1.778 0.000) 1.778 3.171 ( -0.000 3.540 0.000) 3.540 3.194 ( 0.000 -6.018 0.000) 6.018 3.272 ( 0.000 -0.748 0.000) 0.748 3.294 ( -0.000 0.384 0.000) 0.384 3.339 ( 0.000 -0.052 0.000) 0.052 3.369 ( 0.000 -1.353 0.000) 1.353 3.373 ( -0.000 3.006 0.000) 3.006 3.424 ( 0.000 -1.897 0.000) 1.897 3.429 ( 0.000 -2.623 0.000) 2.623 3.459 ( -0.000 5.993 0.000) 5.993 3.553 ( 0.000 -2.605 0.000) 2.605 3.586 ( 0.000 -3.222 0.000) 3.222 3.700 ( 0.000 -6.301 0.000) 6.301 3.718 ( 0.000 -1.938 0.000) 1.938 3.736 ( 0.000 -6.300 0.000) 6.300 3.782 ( 0.000 -1.539 0.000) 1.539 3.801 ( 0.000 -2.278 0.000) 2.278 3.845 ( -0.000 1.057 0.000) 1.057 3.872 ( -0.000 3.674 0.000) 3.674 3.890 ( 0.000 -1.976 0.000) 1.976 4.190 ( 0.000 -0.065 0.000) 0.065 4.215 ( 0.000 -1.256 0.000) 1.256 4.634 ( -0.000 0.211 0.000) 0.211 4.653 ( -0.000 0.028 0.000) 0.028 7.927 ( 0.000 -0.867 0.000) 0.867 7.950 ( 0.000 -0.595 0.000) 0.595 8.251 ( -0.000 0.740 0.000) 0.740 8.554 ( 0.000 -3.662 0.000) 3.662 8.570 ( -0.000 7.700 0.000) 7.700 8.589 ( 0.000 -0.206 0.000) 0.206 8.667 ( 0.000 -1.190 0.000) 1.190 8.839 ( -0.000 0.049 0.000) 0.049 8.958 ( 0.000 -0.654 0.000) 0.654 9.041 ( -0.000 1.855 0.000) 1.855 9.069 ( 0.000 -1.910 0.000) 1.910 9.101 ( 0.000 -0.927 0.000) 0.927 ======================= Grid point 39 (21/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -0.000 -0.000 0.000) 0.000 0.787 ( 0.000 0.000 0.000) 0.000 0.808 ( 0.000 0.000 0.000) 0.000 0.909 ( 0.000 0.000 0.000) 0.000 1.215 ( -0.000 -0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.280 ( 0.000 0.000 0.000) 0.000 1.517 ( 0.000 0.000 0.000) 0.000 1.522 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.574 ( -0.000 -0.000 0.000) 0.000 1.640 ( 0.000 0.000 0.000) 0.000 1.649 ( 0.000 0.000 0.000) 0.000 1.712 ( 0.000 0.000 0.000) 0.000 1.725 ( -0.000 -0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.794 ( 0.000 0.000 0.000) 0.000 1.834 ( -0.000 -0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.237 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.377 ( 0.000 0.000 0.000) 0.000 2.430 ( 0.000 0.000 0.000) 0.000 2.526 ( 0.000 0.000 0.000) 0.000 2.620 ( -0.000 -0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.673 ( 0.000 0.000 0.000) 0.000 2.705 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.734 ( -0.000 -0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 2.819 ( 0.000 0.000 0.000) 0.000 2.876 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.902 ( 0.000 0.000 0.000) 0.000 2.961 ( 0.000 0.000 0.000) 0.000 2.985 ( 0.000 0.000 0.000) 0.000 3.120 ( -0.000 -0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.155 ( 0.000 0.000 0.000) 0.000 3.217 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.291 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.359 ( -0.000 -0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.442 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 3.601 ( -0.000 -0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.870 ( 0.000 0.000 0.000) 0.000 3.948 ( -0.000 -0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.628 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 7.907 ( 0.000 0.000 0.000) 0.000 7.933 ( 0.000 0.000 0.000) 0.000 8.279 ( 0.000 0.000 0.000) 0.000 8.465 ( 0.000 0.000 0.000) 0.000 8.581 ( 0.000 0.000 0.000) 0.000 8.646 ( 0.000 0.000 0.000) 0.000 8.777 ( 0.000 0.000 0.000) 0.000 8.817 ( 0.000 0.000 0.000) 0.000 8.952 ( 0.000 0.000 0.000) 0.000 9.022 ( 0.000 0.000 0.000) 0.000 9.051 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/63) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.317 ( 0.000 0.000 16.401) 16.401 0.354 ( 0.000 0.000 18.157) 18.157 0.729 ( 0.000 0.000 38.412) 38.412 0.789 ( 0.000 0.000 -7.583) 7.583 0.857 ( 0.000 0.000 -7.311) 7.311 1.154 ( 0.000 0.000 9.458) 9.458 1.176 ( 0.000 0.000 4.748) 4.748 1.359 ( 0.000 0.000 2.368) 2.368 1.446 ( 0.000 0.000 -3.442) 3.442 1.482 ( 0.000 0.000 -2.897) 2.897 1.500 ( 0.000 0.000 5.966) 5.966 1.554 ( 0.000 0.000 -2.716) 2.716 1.635 ( 0.000 0.000 0.602) 0.602 1.710 ( 0.000 0.000 5.812) 5.812 1.783 ( 0.000 0.000 -3.665) 3.665 1.796 ( 0.000 0.000 1.315) 1.315 1.957 ( 0.000 0.000 -8.492) 8.492 1.989 ( 0.000 0.000 -2.399) 2.399 1.990 ( 0.000 0.000 0.586) 0.586 2.058 ( 0.000 0.000 3.764) 3.764 2.070 ( 0.000 0.000 -10.193) 10.193 2.087 ( 0.000 0.000 -22.953) 22.953 2.099 ( 0.000 0.000 -1.989) 1.989 2.215 ( 0.000 0.000 -3.688) 3.688 2.273 ( 0.000 0.000 0.800) 0.800 2.296 ( 0.000 0.000 3.094) 3.094 2.369 ( 0.000 0.000 -1.288) 1.288 2.396 ( 0.000 0.000 1.337) 1.337 2.400 ( 0.000 0.000 -0.828) 0.828 2.470 ( 0.000 0.000 -5.487) 5.487 2.524 ( 0.000 0.000 3.582) 3.582 2.577 ( 0.000 0.000 5.018) 5.018 2.589 ( 0.000 0.000 0.628) 0.628 2.609 ( 0.000 0.000 0.334) 0.334 2.745 ( 0.000 0.000 -5.362) 5.362 2.772 ( 0.000 0.000 7.759) 7.759 2.792 ( 0.000 0.000 -6.540) 6.540 2.886 ( 0.000 0.000 3.353) 3.353 2.887 ( 0.000 0.000 10.662) 10.662 2.945 ( 0.000 0.000 2.117) 2.117 3.017 ( 0.000 0.000 1.679) 1.679 3.017 ( 0.000 0.000 2.585) 2.585 3.025 ( 0.000 0.000 -2.643) 2.643 3.051 ( 0.000 0.000 0.930) 0.930 3.086 ( 0.000 0.000 -2.374) 2.374 3.116 ( 0.000 0.000 -5.771) 5.771 3.132 ( 0.000 0.000 1.890) 1.890 3.171 ( 0.000 0.000 -2.048) 2.048 3.186 ( 0.000 0.000 3.155) 3.155 3.208 ( 0.000 0.000 0.793) 0.793 3.259 ( 0.000 0.000 3.720) 3.720 3.283 ( 0.000 0.000 0.211) 0.211 3.300 ( 0.000 0.000 2.996) 2.996 3.337 ( 0.000 0.000 0.139) 0.139 3.353 ( 0.000 0.000 -0.356) 0.356 3.361 ( 0.000 0.000 -0.766) 0.766 3.383 ( 0.000 0.000 -1.245) 1.245 3.393 ( 0.000 0.000 -1.689) 1.689 3.402 ( 0.000 0.000 -0.478) 0.478 3.418 ( 0.000 0.000 -0.797) 0.797 3.431 ( 0.000 0.000 -3.391) 3.391 3.500 ( 0.000 0.000 -3.424) 3.424 3.617 ( 0.000 0.000 0.217) 0.217 3.620 ( 0.000 0.000 0.039) 0.039 3.698 ( 0.000 0.000 2.046) 2.046 3.749 ( 0.000 0.000 6.004) 6.004 3.782 ( 0.000 0.000 2.497) 2.497 4.139 ( 0.000 0.000 -7.799) 7.799 4.177 ( 0.000 0.000 0.453) 0.453 4.203 ( 0.000 0.000 -0.641) 0.641 4.541 ( 0.000 0.000 1.550) 1.550 4.566 ( 0.000 0.000 0.050) 0.050 7.900 ( 0.000 0.000 0.405) 0.405 7.916 ( 0.000 0.000 -0.275) 0.275 8.264 ( 0.000 0.000 2.750) 2.750 8.396 ( 0.000 0.000 -2.989) 2.989 8.491 ( 0.000 0.000 1.263) 1.263 8.542 ( 0.000 0.000 -1.014) 1.014 8.750 ( 0.000 0.000 1.139) 1.139 8.804 ( 0.000 0.000 -1.155) 1.155 8.973 ( 0.000 0.000 2.344) 2.344 9.083 ( 0.000 0.000 -2.380) 2.380 9.125 ( 0.000 0.000 0.437) 0.437 9.144 ( 0.000 0.000 -0.396) 0.396 ======================= Grid point 70 (23/63) ======================= q-point: ( 0.12 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 8.738 -12.120 10.802) 18.437 0.584 ( 3.655 -13.373 15.414) 20.731 0.874 ( 2.361 -7.159 -6.716) 10.096 0.945 ( 5.201 -21.871 23.596) 32.591 0.996 ( 5.063 -12.453 -6.005) 14.723 1.171 ( 0.024 -3.227 6.798) 7.525 1.270 ( 0.472 -7.486 4.461) 8.727 1.360 ( 0.504 -0.946 2.489) 2.710 1.481 ( -1.166 -3.755 -2.559) 4.691 1.503 ( 0.886 -2.404 2.574) 3.632 1.567 ( -2.180 -3.773 -1.822) 4.723 1.581 ( 0.681 -4.841 -1.042) 4.999 1.650 ( 0.301 -1.892 0.508) 1.982 1.726 ( -1.317 -1.993 5.648) 6.132 1.783 ( 1.809 0.200 -0.913) 2.036 1.794 ( -0.593 -1.428 -0.280) 1.572 1.960 ( -2.260 1.029 -3.535) 4.320 1.974 ( -1.827 -1.614 -6.616) 7.051 1.993 ( -1.708 -0.053 -0.281) 1.732 2.002 ( 1.126 1.734 -0.594) 2.151 2.087 ( -2.489 -0.821 -2.435) 3.578 2.110 ( 0.104 -0.725 -8.814) 8.844 2.141 ( 1.672 1.288 -2.958) 3.634 2.188 ( 1.813 -4.034 -9.264) 10.266 2.279 ( 0.608 -0.844 -0.274) 1.075 2.326 ( -2.571 -1.278 -2.204) 3.619 2.361 ( -1.090 1.501 -3.345) 3.825 2.400 ( 1.368 -1.700 2.254) 3.137 2.438 ( 0.426 -2.953 -0.020) 2.984 2.470 ( -0.779 -0.339 -5.946) 6.007 2.533 ( 1.760 0.256 3.343) 3.787 2.554 ( -1.239 0.693 4.757) 4.964 2.590 ( 1.629 0.051 1.668) 2.333 2.643 ( -2.556 -2.864 -0.505) 3.871 2.744 ( 0.187 2.419 -1.440) 2.821 2.757 ( 0.346 1.104 0.214) 1.177 2.768 ( 2.744 -1.877 -1.378) 3.599 2.841 ( -2.874 3.716 2.379) 5.265 2.875 ( 0.728 2.755 4.769) 5.555 2.939 ( -1.281 3.473 3.208) 4.898 2.971 ( -7.435 0.589 0.340) 7.466 2.992 ( -1.847 -0.968 -0.801) 2.234 3.026 ( 0.609 0.355 2.048) 2.166 3.050 ( -3.052 1.630 1.329) 3.706 3.077 ( -0.862 -0.011 -0.104) 0.869 3.084 ( 1.171 0.546 -3.779) 3.993 3.141 ( 4.348 -1.221 -1.776) 4.853 3.186 ( -3.590 -0.225 0.721) 3.668 3.189 ( 0.555 0.271 2.043) 2.134 3.251 ( -3.915 -2.299 -0.756) 4.603 3.265 ( -0.809 -1.349 0.802) 1.766 3.296 ( 1.992 -0.545 -1.835) 2.762 3.323 ( 1.047 2.289 0.146) 2.521 3.346 ( 0.981 -3.610 0.290) 3.752 3.387 ( 2.657 0.676 -2.565) 3.754 3.391 ( 1.391 -1.981 -1.987) 3.131 3.394 ( 0.512 -2.325 0.076) 2.382 3.423 ( -1.300 -3.772 1.478) 4.255 3.451 ( 2.390 -6.049 0.643) 6.536 3.457 ( 1.136 -3.575 -1.168) 3.929 3.500 ( 0.959 -5.956 0.474) 6.051 3.589 ( -0.358 -6.023 -1.755) 6.283 3.608 ( -1.567 0.373 0.977) 1.884 3.631 ( 0.655 -2.316 -0.725) 2.514 3.669 ( 3.223 0.840 3.400) 4.760 3.731 ( 1.822 1.374 2.215) 3.180 3.801 ( 0.281 -1.129 6.216) 6.324 4.117 ( -7.394 -0.530 -5.215) 9.064 4.203 ( 2.861 0.954 -2.333) 3.813 4.209 ( 1.793 0.133 -1.454) 2.312 4.565 ( 1.118 -1.712 0.679) 2.155 4.577 ( 0.835 -0.753 0.096) 1.128 7.908 ( 0.094 -0.777 0.392) 0.876 7.923 ( 0.156 -0.668 -0.259) 0.733 8.264 ( 0.674 0.132 2.637) 2.725 8.395 ( 3.660 1.737 -3.291) 5.219 8.521 ( 0.432 -2.964 1.039) 3.170 8.561 ( 0.504 -1.813 -0.797) 2.043 8.706 ( 0.472 2.129 4.149) 4.688 8.840 ( -0.370 -1.010 -3.884) 4.030 8.974 ( -0.191 0.210 2.338) 2.355 9.069 ( -0.681 0.967 -0.818) 1.438 9.093 ( -0.712 1.072 1.042) 1.656 9.134 ( -1.095 0.673 -0.877) 1.556 ======================= Grid point 71 (24/63) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 9.258 -12.964 6.633) 17.256 0.839 ( 4.255 -13.030 13.075) 18.943 1.051 ( 1.745 -10.137 -4.958) 11.419 1.255 ( -0.065 -6.960 4.057) 8.057 1.258 ( 3.321 -9.074 -5.905) 11.324 1.366 ( -1.516 -8.641 3.481) 9.438 1.432 ( 3.892 -10.167 4.257) 11.690 1.471 ( 5.149 -15.484 3.324) 16.653 1.554 ( -2.449 -6.447 2.037) 7.191 1.578 ( -2.617 -5.122 0.148) 5.754 1.626 ( -1.685 -4.262 -0.288) 4.592 1.652 ( 1.320 -2.427 -0.738) 2.860 1.719 ( 0.638 -4.997 0.083) 5.038 1.757 ( -2.310 -2.337 4.491) 5.565 1.802 ( 3.816 -0.158 1.426) 4.077 1.841 ( -1.019 -3.398 -1.186) 3.740 1.947 ( -4.914 0.860 -0.177) 4.992 1.947 ( -0.384 -0.261 -1.365) 1.441 1.978 ( -1.211 -0.073 2.433) 2.719 2.035 ( 1.655 -2.677 -2.817) 4.224 2.073 ( -2.130 0.340 -2.106) 3.015 2.099 ( -0.706 0.715 -1.979) 2.220 2.166 ( 1.671 -1.706 -6.033) 6.488 2.260 ( -2.524 -0.749 -5.174) 5.805 2.293 ( -1.134 -1.375 -4.899) 5.213 2.320 ( -2.864 0.726 -2.287) 3.736 2.355 ( 3.342 -3.863 -5.271) 7.340 2.436 ( 0.848 -0.037 2.327) 2.477 2.484 ( -0.451 -0.878 -4.998) 5.094 2.494 ( -0.216 -1.124 1.066) 1.564 2.531 ( 2.914 -0.688 0.155) 2.998 2.561 ( 0.556 -0.102 1.821) 1.907 2.609 ( 1.885 -1.041 1.393) 2.564 2.651 ( -0.678 1.227 -1.498) 2.052 2.695 ( -2.558 0.678 0.371) 2.672 2.731 ( -1.817 2.613 1.826) 3.669 2.760 ( 0.103 2.236 0.242) 2.251 2.815 ( 1.346 -0.448 -2.234) 2.646 2.855 ( 3.663 -1.591 -0.562) 4.033 2.886 ( -0.030 2.224 4.797) 5.288 2.925 ( -6.551 -1.581 1.274) 6.858 2.976 ( -1.244 -1.082 0.194) 1.660 3.019 ( -3.123 0.085 0.315) 3.139 3.039 ( 1.279 0.357 0.335) 1.369 3.083 ( -0.538 -1.485 -0.463) 1.646 3.104 ( 1.512 0.030 -0.239) 1.531 3.147 ( -4.310 0.401 0.652) 4.377 3.172 ( -2.213 -1.642 -1.765) 3.272 3.207 ( 0.589 -0.231 -1.154) 1.316 3.240 ( -2.473 0.422 -1.268) 2.811 3.253 ( -1.908 1.171 0.394) 2.273 3.285 ( -1.587 1.539 -1.583) 2.718 3.333 ( 1.084 0.055 -2.006) 2.281 3.352 ( 3.972 2.378 -2.686) 5.352 3.415 ( 0.865 -1.480 -0.073) 1.715 3.443 ( -0.929 -3.732 -1.305) 4.061 3.477 ( 0.911 -3.708 2.409) 4.515 3.488 ( 0.296 -4.944 3.509) 6.069 3.518 ( -0.405 -1.549 3.157) 3.540 3.555 ( 2.244 -3.975 3.009) 5.467 3.604 ( 1.256 -2.419 0.966) 2.892 3.629 ( -1.146 -4.005 1.199) 4.335 3.668 ( 1.607 -4.609 -0.555) 4.913 3.716 ( 4.211 -3.186 0.657) 5.321 3.740 ( -0.215 -5.707 -2.113) 6.089 3.748 ( 4.151 -1.379 2.006) 4.812 3.808 ( 0.674 0.068 5.092) 5.137 4.061 ( -4.493 2.235 -5.692) 7.588 4.198 ( 0.973 0.384 -0.023) 1.047 4.217 ( 0.796 -0.115 -0.499) 0.946 4.595 ( 1.100 -0.652 -0.138) 1.287 4.599 ( 1.137 -0.759 -0.139) 1.374 7.926 ( 0.103 -1.064 0.346) 1.123 7.939 ( 0.240 -0.799 -0.198) 0.858 8.268 ( 0.581 -0.135 2.148) 2.230 8.374 ( 3.719 3.007 -2.467) 5.381 8.594 ( -0.155 -4.437 0.804) 4.512 8.605 ( 0.300 -2.475 -0.084) 2.494 8.682 ( 0.612 1.144 3.317) 3.562 8.827 ( -0.563 1.677 -3.286) 3.732 8.965 ( 0.047 0.224 2.323) 2.334 9.053 ( -0.446 0.959 -1.465) 1.806 9.085 ( -0.760 -0.719 0.658) 1.236 9.117 ( -1.078 0.217 -1.108) 1.561 ======================= Grid point 72 (25/63) ======================= q-point: ( 0.38 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 7.847 -10.173 4.454) 13.598 1.104 ( 4.869 -11.980 8.023) 15.219 1.235 ( 0.789 -8.083 -3.301) 8.767 1.346 ( -1.607 -4.716 2.813) 5.721 1.395 ( 0.895 -3.747 -1.446) 4.115 1.464 ( -1.553 -2.574 0.624) 3.070 1.512 ( -0.698 -2.587 0.195) 2.686 1.607 ( -1.367 1.311 2.264) 2.952 1.647 ( -1.491 -2.135 -0.838) 2.735 1.676 ( 0.426 -3.789 1.984) 4.298 1.698 ( -1.734 -6.656 -1.969) 7.154 1.729 ( -2.434 3.024 0.964) 4.000 1.744 ( -0.867 -6.892 0.300) 6.953 1.833 ( 0.474 -0.110 -1.362) 1.446 1.875 ( 2.317 -0.367 -1.107) 2.594 1.909 ( -0.930 -3.719 -1.749) 4.214 1.957 ( 0.976 -2.648 -0.978) 2.986 1.974 ( -1.364 0.209 2.094) 2.507 1.985 ( 3.207 -8.456 4.239) 9.987 2.052 ( -1.162 0.041 -5.692) 5.810 2.079 ( 0.287 0.519 0.907) 1.084 2.090 ( -0.965 -1.452 -1.912) 2.588 2.172 ( -0.896 0.738 0.594) 1.304 2.231 ( -3.833 -0.423 -2.252) 4.466 2.306 ( -0.707 -1.044 -4.659) 4.827 2.359 ( 0.078 -4.628 0.076) 4.630 2.417 ( 0.746 -0.104 1.402) 1.591 2.440 ( -0.685 3.058 -0.865) 3.251 2.443 ( 0.937 0.383 -6.762) 6.838 2.505 ( 0.503 -1.341 1.754) 2.265 2.558 ( 4.457 0.576 -3.734) 5.843 2.576 ( 1.991 1.346 1.357) 2.760 2.601 ( 0.581 -1.487 0.414) 1.649 2.659 ( -1.250 0.232 0.020) 1.272 2.689 ( 0.070 -1.758 -2.012) 2.673 2.718 ( -0.613 0.441 0.485) 0.898 2.738 ( 1.049 -0.455 4.209) 4.361 2.844 ( -0.544 1.374 -1.333) 1.990 2.853 ( 1.037 -2.382 2.308) 3.475 2.917 ( 2.864 -1.958 0.594) 3.520 2.952 ( -3.444 -3.031 -2.311) 5.137 2.996 ( -1.398 -1.499 1.954) 2.832 3.016 ( -0.309 -2.359 -0.072) 2.381 3.034 ( 0.016 1.315 1.883) 2.297 3.096 ( -1.118 1.083 1.692) 2.299 3.122 ( 1.375 -2.115 -3.881) 4.629 3.128 ( -1.261 -0.913 -0.202) 1.570 3.164 ( -0.928 3.256 -0.464) 3.417 3.191 ( -2.625 -0.605 -2.882) 3.945 3.217 ( -1.030 1.179 -1.192) 1.967 3.225 ( -3.579 1.423 -1.926) 4.307 3.229 ( -0.302 1.569 -0.257) 1.618 3.322 ( 0.437 1.078 -1.174) 1.652 3.339 ( 1.373 1.421 -1.129) 2.276 3.446 ( 0.840 -1.611 0.834) 1.999 3.478 ( -0.092 -0.645 -0.434) 0.783 3.510 ( -2.156 0.035 2.735) 3.482 3.530 ( 0.370 0.139 2.511) 2.542 3.572 ( 1.012 -2.815 3.645) 4.716 3.599 ( -0.975 0.403 2.328) 2.556 3.656 ( 1.888 -4.676 2.212) 5.506 3.696 ( 0.782 -3.024 0.921) 3.257 3.766 ( 3.020 -3.220 -0.908) 4.507 3.787 ( 2.317 -2.540 1.343) 3.691 3.812 ( -0.747 -1.163 1.835) 2.297 3.823 ( 1.779 -2.484 0.253) 3.066 3.831 ( 1.482 -3.977 -0.526) 4.277 3.996 ( -3.107 2.370 -3.630) 5.333 4.203 ( 0.114 -0.531 0.486) 0.729 4.220 ( 0.981 0.366 -0.241) 1.075 4.607 ( 0.707 -0.163 -0.582) 0.931 4.611 ( 0.797 0.001 -0.568) 0.979 7.944 ( 0.033 -0.811 0.249) 0.849 7.951 ( 0.206 -0.398 -0.072) 0.454 8.279 ( -0.320 -0.994 1.201) 1.591 8.337 ( 2.839 3.068 -1.291) 4.374 8.637 ( -0.864 -1.392 1.229) 2.048 8.653 ( -0.123 -0.304 3.026) 3.043 8.690 ( 0.228 -3.007 -0.798) 3.120 8.788 ( 0.374 2.314 -2.497) 3.425 8.972 ( 0.609 -0.711 1.413) 1.695 9.026 ( -0.576 1.508 -0.779) 1.793 9.099 ( -0.549 -1.008 -0.231) 1.171 9.113 ( -0.542 -0.127 -0.978) 1.125 ======================= Grid point 73 (26/63) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -1.538 -0.708 2.654) 3.148 1.225 ( 1.538 0.708 2.654) 3.148 1.352 ( 2.065 -5.872 2.121) 6.576 1.352 ( -2.065 5.872 2.121) 6.576 1.435 ( 2.792 -3.253 1.152) 4.439 1.435 ( -2.792 3.253 1.152) 4.439 1.571 ( 0.038 -3.161 1.598) 3.542 1.571 ( -0.038 3.161 1.598) 3.542 1.650 ( -1.980 -2.111 1.962) 3.496 1.650 ( 1.980 2.111 1.962) 3.496 1.750 ( -1.257 -1.247 -3.136) 3.601 1.750 ( 1.257 1.247 -3.136) 3.601 1.842 ( -0.677 -4.909 -3.015) 5.801 1.842 ( 0.677 4.909 -3.015) 5.801 1.889 ( 0.447 -5.949 -0.991) 6.047 1.889 ( -0.447 5.949 -0.991) 6.047 1.958 ( -0.667 -0.769 -0.448) 1.112 1.958 ( 0.667 0.769 -0.448) 1.112 2.060 ( -0.510 -1.909 -4.670) 5.071 2.060 ( 0.510 1.909 -4.670) 5.071 2.084 ( -1.370 -1.091 2.957) 3.437 2.084 ( 1.370 1.091 2.957) 3.437 2.211 ( -1.328 -2.375 1.199) 2.973 2.211 ( 1.328 2.375 1.199) 2.973 2.358 ( -0.123 -3.750 -5.398) 6.574 2.358 ( 0.123 3.750 -5.398) 6.574 2.408 ( 1.186 -1.409 1.632) 2.460 2.408 ( -1.186 1.409 1.632) 2.460 2.502 ( -0.797 -4.801 0.901) 4.950 2.502 ( 0.797 4.801 0.901) 4.950 2.568 ( -1.476 -2.039 0.234) 2.528 2.568 ( 1.476 2.039 0.234) 2.528 2.634 ( -0.298 -1.403 0.563) 1.541 2.634 ( 0.298 1.403 0.563) 1.541 2.707 ( -1.522 -0.890 -2.724) 3.245 2.707 ( 1.522 0.890 -2.724) 3.245 2.784 ( -0.226 -2.786 2.298) 3.618 2.784 ( 0.226 2.786 2.298) 3.618 2.921 ( -0.577 -2.136 -0.161) 2.219 2.921 ( 0.577 2.136 -0.161) 2.219 2.990 ( 1.257 -2.755 0.071) 3.029 2.990 ( -1.257 2.755 0.071) 3.029 3.041 ( -0.641 -2.172 3.604) 4.256 3.041 ( 0.641 2.172 3.604) 4.256 3.088 ( -1.625 -3.968 -2.577) 5.003 3.088 ( 1.625 3.968 -2.577) 5.003 3.148 ( 0.659 -2.352 -0.767) 2.560 3.148 ( -0.659 2.352 -0.767) 2.560 3.186 ( 0.535 -0.654 -2.632) 2.764 3.186 ( -0.535 0.654 -2.632) 2.764 3.207 ( -0.762 -0.118 -1.144) 1.380 3.207 ( 0.762 0.118 -1.144) 1.380 3.321 ( -0.428 -0.756 -0.255) 0.905 3.321 ( 0.428 0.756 -0.255) 0.905 3.474 ( -0.771 -1.150 0.319) 1.421 3.474 ( 0.771 1.150 0.319) 1.421 3.504 ( -4.000 -2.248 0.907) 4.677 3.504 ( 4.000 2.248 0.907) 4.677 3.602 ( -2.299 -0.512 4.153) 4.774 3.602 ( 2.299 0.512 4.153) 4.774 3.720 ( -1.049 -1.385 1.895) 2.571 3.720 ( 1.049 1.385 1.895) 2.571 3.808 ( -3.707 -0.298 1.644) 4.066 3.808 ( 3.707 0.298 1.644) 4.066 3.837 ( -1.857 -1.150 -1.937) 2.919 3.837 ( 1.857 1.150 -1.937) 2.919 3.923 ( 0.108 -3.575 -1.032) 3.723 3.923 ( -0.108 3.575 -1.032) 3.723 4.215 ( -0.669 -0.793 0.132) 1.046 4.215 ( 0.669 0.793 0.132) 1.046 4.612 ( -0.386 -0.208 -0.750) 0.869 4.612 ( 0.386 0.208 -0.750) 0.869 7.954 ( -0.087 -0.236 0.098) 0.270 7.954 ( 0.087 0.236 0.098) 0.270 8.302 ( -1.605 -2.191 -0.023) 2.716 8.302 ( 1.605 2.191 -0.023) 2.716 8.648 ( -1.093 -0.633 2.243) 2.574 8.648 ( 1.093 0.633 2.243) 2.574 8.747 ( -0.887 -2.856 -1.725) 3.452 8.747 ( 0.887 2.856 -1.725) 3.452 8.995 ( 0.701 -1.288 0.297) 1.496 8.995 ( -0.701 1.288 0.297) 1.496 9.110 ( -0.080 -0.358 -0.726) 0.814 9.110 ( 0.080 0.358 -0.726) 0.814 ======================= Grid point 79 (27/63) ======================= q-point: ( 0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 10.120 0.000 15.243) 18.296 0.495 ( 20.581 0.000 12.210) 23.931 0.791 ( 11.213 0.000 32.430) 34.314 0.880 ( 13.617 0.000 -6.799) 15.220 0.883 ( 4.206 0.000 -6.600) 7.826 1.162 ( 0.941 0.000 10.922) 10.963 1.177 ( -0.209 -0.000 4.941) 4.945 1.350 ( -1.263 -0.000 2.126) 2.473 1.448 ( -0.009 -0.000 -3.039) 3.039 1.496 ( -0.381 -0.000 5.626) 5.639 1.505 ( 2.776 0.000 -3.212) 4.245 1.534 ( -1.383 -0.000 -3.289) 3.568 1.632 ( -0.796 -0.000 0.151) 0.810 1.698 ( -1.797 -0.000 5.145) 5.450 1.785 ( -1.458 -0.000 1.171) 1.870 1.799 ( 1.943 0.000 -2.219) 2.950 1.932 ( -3.668 -0.000 -8.735) 9.474 1.950 ( -4.388 -0.000 -0.245) 4.395 2.000 ( 0.446 0.000 0.230) 0.502 2.021 ( -4.900 -0.000 -8.508) 9.818 2.075 ( 2.824 0.000 3.110) 4.201 2.087 ( -0.064 -0.000 -20.757) 20.757 2.145 ( 4.412 0.000 -4.610) 6.381 2.211 ( -0.924 -0.000 -2.929) 3.071 2.261 ( -3.627 -0.000 4.291) 5.619 2.277 ( 0.765 0.000 -0.363) 0.846 2.375 ( 0.208 0.000 -1.629) 1.643 2.385 ( -1.920 -0.000 0.674) 2.035 2.407 ( 0.805 0.000 -2.136) 2.283 2.460 ( -1.619 -0.000 -4.958) 5.216 2.558 ( 2.749 0.000 1.314) 3.047 2.558 ( -0.073 -0.000 3.466) 3.467 2.595 ( -2.604 -0.000 0.241) 2.616 2.614 ( 2.011 0.000 -0.218) 2.023 2.759 ( 1.571 0.000 -2.659) 3.088 2.772 ( 0.090 0.000 7.027) 7.028 2.782 ( -0.820 -0.000 -3.930) 4.014 2.871 ( -3.267 -0.000 7.353) 8.046 2.885 ( -0.512 -0.000 5.150) 5.175 2.908 ( -10.294 -0.000 0.930) 10.336 2.932 ( -2.763 -0.000 2.095) 3.468 2.937 ( -6.072 -0.000 2.463) 6.553 3.043 ( -0.078 -0.000 1.598) 1.600 3.053 ( 0.045 0.000 -0.727) 0.729 3.098 ( -1.404 -0.000 -5.940) 6.104 3.128 ( 0.563 0.000 -5.285) 5.315 3.140 ( 0.100 0.000 2.496) 2.498 3.161 ( -5.097 -0.000 -0.099) 5.098 3.182 ( -1.119 -0.000 -1.082) 1.556 3.216 ( 3.186 0.000 3.376) 4.642 3.243 ( -0.468 -0.000 3.426) 3.457 3.292 ( -1.317 -0.000 3.327) 3.578 3.335 ( 0.905 0.000 -2.054) 2.245 3.337 ( -0.058 -0.000 1.034) 1.036 3.367 ( 0.894 0.000 -1.114) 1.429 3.369 ( 4.205 0.000 -0.004) 4.205 3.380 ( 2.072 0.000 -0.836) 2.234 3.396 ( 0.725 0.000 -0.934) 1.183 3.428 ( 3.327 0.000 -0.701) 3.400 3.434 ( 0.449 0.000 -2.975) 3.009 3.456 ( 6.322 0.000 0.077) 6.323 3.529 ( 5.308 0.000 -2.731) 5.970 3.608 ( -1.028 -0.000 1.014) 1.444 3.629 ( 1.874 0.000 -0.252) 1.890 3.693 ( -0.667 -0.000 1.734) 1.858 3.758 ( -0.423 -0.000 -0.294) 0.515 3.788 ( 2.154 0.000 6.884) 7.213 4.038 ( -6.923 -0.000 1.200) 7.026 4.205 ( 0.128 0.000 -0.539) 0.554 4.249 ( 2.745 0.000 -5.984) 6.584 4.559 ( 2.649 0.000 1.190) 2.904 4.577 ( 1.758 0.000 0.116) 1.762 7.901 ( 0.230 0.000 0.441) 0.497 7.918 ( 0.312 0.000 -0.271) 0.413 8.273 ( 1.499 0.000 3.136) 3.476 8.444 ( 4.457 0.000 -4.939) 6.653 8.509 ( 3.823 0.000 -0.596) 3.869 8.549 ( 1.130 0.000 -0.739) 1.350 8.755 ( 0.568 0.000 0.779) 0.964 8.803 ( -0.187 -0.000 -1.303) 1.317 8.972 ( -0.080 -0.000 2.268) 2.270 9.074 ( -2.214 -0.000 -1.033) 2.444 9.101 ( -2.100 -0.000 0.571) 2.176 9.129 ( -2.316 -0.000 -0.479) 2.365 ======================= Grid point 80 (28/63) ======================= q-point: ( 0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 10.628 -11.715 8.819) 18.110 0.683 ( 12.480 -7.448 14.702) 20.673 0.928 ( 6.141 -4.395 -5.056) 9.088 1.070 ( 13.791 -17.561 15.150) 26.983 1.109 ( 12.451 -10.972 -5.475) 17.476 1.167 ( -0.846 -3.012 7.421) 8.053 1.278 ( 0.797 -7.467 6.383) 9.856 1.365 ( -0.394 -3.573 3.305) 4.883 1.455 ( -2.929 -1.535 -1.407) 3.594 1.517 ( 0.953 -2.068 0.958) 2.471 1.535 ( -1.471 -3.148 -0.571) 3.521 1.606 ( 3.048 -4.177 -1.966) 5.532 1.651 ( 0.299 -3.262 -1.344) 3.540 1.701 ( -2.310 -1.701 3.908) 4.848 1.779 ( -1.733 -1.179 0.029) 2.096 1.817 ( 2.682 -0.773 -0.540) 2.843 1.915 ( -6.073 -0.313 -2.807) 6.698 1.922 ( -3.493 -0.535 -2.510) 4.334 1.980 ( -1.336 0.444 -0.465) 1.483 2.004 ( -1.836 -0.559 -4.360) 4.763 2.074 ( 1.444 0.702 -1.081) 1.935 2.097 ( -1.514 0.516 -10.806) 10.924 2.173 ( 2.579 0.418 -0.626) 2.687 2.210 ( 0.987 -2.846 -4.141) 5.120 2.282 ( -0.943 -0.429 -2.880) 3.060 2.290 ( -2.266 -2.731 -2.259) 4.207 2.335 ( -1.917 1.598 -1.074) 2.717 2.425 ( 1.024 -1.986 0.638) 2.324 2.442 ( 0.520 -3.551 -0.814) 3.680 2.454 ( -1.217 -1.184 -5.979) 6.215 2.550 ( -0.468 0.068 1.807) 1.868 2.561 ( 1.974 0.799 2.130) 3.012 2.588 ( -1.163 -1.439 1.111) 2.158 2.630 ( 1.557 -0.536 -0.785) 1.824 2.742 ( -1.590 2.539 1.571) 3.383 2.763 ( 0.285 1.704 1.440) 2.249 2.786 ( -3.997 2.865 -1.040) 5.027 2.809 ( 2.251 -2.286 -0.967) 3.351 2.845 ( -7.142 -0.630 4.340) 8.381 2.896 ( -3.206 -0.110 2.122) 3.846 2.919 ( -0.944 0.393 3.176) 3.336 2.965 ( -2.115 0.564 -0.874) 2.357 3.009 ( -2.234 -0.501 -0.042) 2.289 3.017 ( -1.979 2.655 1.102) 3.490 3.065 ( -1.519 -1.038 -1.660) 2.477 3.093 ( -2.378 0.869 -1.769) 3.089 3.130 ( -1.884 0.741 0.485) 2.082 3.164 ( -0.722 0.155 -2.036) 2.166 3.192 ( -2.108 -2.352 0.260) 3.169 3.211 ( 0.401 -0.264 2.765) 2.806 3.257 ( -1.431 0.121 0.676) 1.587 3.296 ( 0.256 0.539 0.953) 1.125 3.328 ( -0.664 0.039 0.433) 0.794 3.371 ( 0.470 -2.510 -0.272) 2.568 3.391 ( -0.026 -1.128 -1.086) 1.566 3.397 ( 1.652 -3.864 0.049) 4.203 3.432 ( 2.811 -0.819 -1.257) 3.186 3.435 ( 1.522 -0.860 -1.695) 2.436 3.476 ( 1.372 -3.312 0.898) 3.695 3.485 ( 2.056 -4.846 0.545) 5.292 3.545 ( 7.033 -4.530 0.451) 8.377 3.590 ( -0.688 0.044 1.820) 1.946 3.621 ( 5.519 -2.742 -0.438) 6.178 3.649 ( 2.359 -2.931 -2.346) 4.434 3.705 ( 2.289 -1.423 0.986) 2.870 3.757 ( 1.523 -0.676 0.110) 1.670 3.812 ( 1.573 -0.273 5.678) 5.898 4.029 ( -6.098 -1.450 -1.719) 6.500 4.209 ( -0.020 -0.309 -0.604) 0.679 4.233 ( 0.060 1.787 -2.877) 3.388 4.589 ( 2.420 -1.011 0.563) 2.682 4.596 ( 2.218 -0.587 0.158) 2.300 7.910 ( 0.282 -0.728 0.455) 0.904 7.926 ( 0.393 -0.643 -0.259) 0.797 8.279 ( 1.584 0.460 3.293) 3.683 8.456 ( 4.506 1.841 -4.824) 6.853 8.538 ( 2.658 -1.294 0.882) 3.085 8.573 ( 1.385 -1.491 -0.573) 2.115 8.713 ( 0.333 2.259 3.192) 3.924 8.830 ( -1.192 -0.843 -3.436) 3.733 8.970 ( -0.293 0.268 2.269) 2.304 9.052 ( -1.775 -0.047 0.371) 1.814 9.084 ( -0.609 0.800 -0.566) 1.154 9.111 ( -2.377 0.142 -0.931) 2.557 ======================= Grid point 81 (29/63) ======================= q-point: ( 0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 6.868 -12.101 10.551) 17.462 0.924 ( 12.565 -10.660 4.676) 17.129 1.087 ( 3.890 -8.556 -2.646) 9.765 1.232 ( -2.491 -5.986 4.641) 7.973 1.311 ( 2.910 -5.776 -3.241) 7.234 1.375 ( 3.907 -7.687 -0.884) 8.668 1.462 ( -3.070 -2.463 -0.235) 3.943 1.488 ( -5.597 -8.800 3.064) 10.870 1.530 ( 5.463 -10.716 2.902) 12.373 1.570 ( 0.349 -5.693 1.139) 5.816 1.624 ( 1.620 -4.741 1.032) 5.115 1.680 ( 2.525 -1.925 -1.305) 3.433 1.718 ( -1.555 -3.910 3.117) 5.237 1.735 ( 0.507 -6.338 0.877) 6.419 1.825 ( -2.073 -4.381 -1.547) 5.087 1.855 ( 2.136 1.875 0.530) 2.891 1.878 ( -2.051 -2.862 0.629) 3.576 1.938 ( -1.009 -2.013 0.960) 2.448 1.979 ( 0.154 -0.499 0.471) 0.703 2.017 ( -3.248 -2.406 -1.257) 4.233 2.059 ( -2.438 1.132 -5.844) 6.432 2.092 ( 2.892 -0.919 -1.277) 3.292 2.198 ( -0.182 -1.562 -1.544) 2.204 2.225 ( -1.677 3.186 -1.856) 4.051 2.271 ( -2.056 -2.985 -4.059) 5.442 2.289 ( -0.723 -0.463 -2.445) 2.592 2.396 ( 2.655 -3.302 -4.048) 5.859 2.428 ( -1.744 -1.043 0.276) 2.050 2.478 ( -0.641 -0.571 -1.914) 2.097 2.506 ( 1.095 0.222 1.002) 1.501 2.548 ( -1.875 -1.396 0.830) 2.480 2.568 ( 1.590 -1.569 -3.098) 3.820 2.627 ( 0.528 -0.626 -1.182) 1.437 2.655 ( -1.124 1.391 1.221) 2.165 2.666 ( 1.484 -0.530 1.541) 2.204 2.727 ( 0.800 1.086 0.680) 1.510 2.757 ( -0.483 1.558 0.867) 1.847 2.830 ( 0.593 -0.087 -1.503) 1.618 2.844 ( -5.404 -3.565 -0.991) 6.549 2.877 ( 0.572 1.973 1.483) 2.534 2.904 ( 1.177 -1.883 1.188) 2.519 2.955 ( -1.579 -1.495 -0.179) 2.182 2.989 ( -1.003 -0.396 -1.384) 1.755 3.040 ( -1.139 -1.519 0.212) 1.911 3.071 ( -3.028 -2.315 0.642) 3.865 3.080 ( -3.341 -1.342 0.750) 3.678 3.125 ( 1.721 0.283 0.027) 1.744 3.138 ( -3.168 0.264 -0.417) 3.206 3.206 ( -0.587 0.668 0.149) 0.902 3.220 ( -0.862 -0.286 -0.486) 1.030 3.223 ( -2.799 0.936 -1.874) 3.496 3.279 ( 0.287 1.965 -0.050) 1.987 3.337 ( -0.487 0.262 -1.034) 1.173 3.378 ( 0.530 2.426 -3.418) 4.224 3.420 ( -0.817 -3.141 2.945) 4.382 3.424 ( -0.067 -1.481 0.902) 1.735 3.489 ( -0.875 -0.944 2.847) 3.124 3.506 ( 2.642 -3.365 1.843) 4.658 3.531 ( 3.613 -3.281 0.167) 4.884 3.571 ( -0.906 -4.240 0.291) 4.345 3.607 ( -0.157 -1.968 3.942) 4.408 3.655 ( 4.852 -2.156 -0.497) 5.333 3.707 ( 2.350 -4.999 -0.806) 5.582 3.741 ( 2.519 -3.372 -1.071) 4.343 3.761 ( 3.269 -2.517 0.069) 4.126 3.800 ( 3.368 -2.211 -0.300) 4.040 3.823 ( 1.779 -0.271 4.128) 4.504 3.994 ( -5.826 0.699 -3.235) 6.700 4.204 ( -0.063 0.427 -0.029) 0.432 4.224 ( 0.209 -0.361 -0.377) 0.562 4.612 ( 1.563 -0.167 0.029) 1.572 4.619 ( 1.919 -0.228 -0.111) 1.936 7.928 ( 0.193 -0.975 0.413) 1.076 7.942 ( 0.342 -0.735 -0.219) 0.840 8.277 ( 0.806 0.507 2.911) 3.063 8.428 ( 4.507 4.020 -3.880) 7.178 8.595 ( 0.394 -3.322 2.081) 3.940 8.610 ( 0.429 -1.817 0.435) 1.917 8.686 ( -0.157 0.839 2.136) 2.300 8.818 ( -0.911 1.026 -3.248) 3.526 8.967 ( 0.215 -0.161 1.850) 1.870 9.046 ( -0.636 0.878 -1.317) 1.705 9.075 ( -0.832 -0.890 0.450) 1.299 9.102 ( -1.245 -0.425 -1.156) 1.752 ======================= Grid point 82 (30/63) ======================= q-point: ( 0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 5.399 -8.606 6.119) 11.860 1.179 ( 8.389 -8.533 2.331) 12.191 1.241 ( 0.227 -6.230 0.944) 6.305 1.340 ( 0.824 -6.073 0.589) 6.157 1.405 ( 0.607 -2.723 2.459) 3.718 1.458 ( 0.607 -0.154 -1.920) 2.019 1.488 ( -3.158 -3.807 0.176) 4.950 1.567 ( -4.991 -3.154 2.211) 6.304 1.617 ( -3.189 -0.491 -0.540) 3.272 1.658 ( -3.378 -3.600 1.678) 5.214 1.698 ( 0.489 0.206 1.248) 1.356 1.723 ( 2.441 -3.731 -3.489) 5.662 1.745 ( 1.548 -5.951 1.932) 6.446 1.825 ( -1.701 -0.271 -4.434) 4.757 1.892 ( -0.216 -2.803 -2.141) 3.534 1.908 ( 1.365 -1.552 -1.113) 2.348 1.944 ( -3.030 -1.520 -0.867) 3.499 1.956 ( -1.451 -0.717 2.736) 3.179 2.028 ( -2.526 -0.531 -6.089) 6.614 2.030 ( 3.329 -4.090 3.348) 6.247 2.085 ( 3.857 -4.030 -0.225) 5.583 2.112 ( 1.038 2.316 0.351) 2.562 2.145 ( -2.098 -0.664 -2.081) 3.029 2.235 ( 3.539 -0.571 3.056) 4.711 2.297 ( -1.020 -2.726 -6.115) 6.772 2.353 ( -0.601 -4.649 0.783) 4.752 2.412 ( -1.575 0.714 0.063) 1.730 2.437 ( 0.600 -0.681 1.814) 2.028 2.454 ( 0.888 3.505 -6.324) 7.284 2.511 ( -0.192 -0.966 1.166) 1.526 2.572 ( -2.698 -0.426 1.926) 3.342 2.589 ( -2.285 0.333 0.958) 2.500 2.604 ( 0.323 0.336 0.452) 0.649 2.650 ( 3.662 -1.985 -1.528) 4.437 2.698 ( 0.080 1.105 0.343) 1.159 2.725 ( 1.767 -0.127 -4.538) 4.872 2.749 ( -0.174 -1.395 2.490) 2.859 2.836 ( -0.181 2.158 2.885) 3.607 2.872 ( 0.843 -2.514 -2.728) 3.805 2.903 ( -3.144 -3.617 -2.203) 5.275 2.947 ( 1.995 -2.567 0.026) 3.251 2.993 ( 0.443 -2.683 2.339) 3.587 3.014 ( 0.137 -2.639 -2.789) 3.842 3.039 ( 1.085 2.298 3.302) 4.167 3.076 ( -1.785 0.132 2.482) 3.061 3.111 ( -0.161 -1.990 0.757) 2.135 3.136 ( -2.826 -2.275 -0.723) 3.699 3.142 ( -0.138 -1.311 -2.699) 3.004 3.175 ( -1.936 1.747 -1.320) 2.923 3.184 ( -0.977 1.673 -1.035) 2.196 3.212 ( 0.958 0.696 -1.011) 1.556 3.236 ( 0.675 2.202 -2.628) 3.494 3.318 ( -1.165 0.708 -0.879) 1.622 3.342 ( -0.626 1.437 -1.778) 2.370 3.437 ( -4.052 -0.764 2.213) 4.680 3.454 ( -0.118 -1.086 2.764) 2.972 3.489 ( -0.542 -0.566 1.132) 1.377 3.548 ( 0.312 0.535 0.659) 0.904 3.577 ( -1.433 -1.308 3.752) 4.223 3.624 ( 6.200 -0.461 2.706) 6.781 3.673 ( 1.047 -3.885 1.812) 4.413 3.716 ( 1.604 -2.821 -1.304) 3.497 3.775 ( -1.071 -1.074 -0.138) 1.523 3.809 ( 2.979 -1.831 -0.830) 3.594 3.820 ( 0.095 -1.378 0.384) 1.434 3.849 ( 1.962 -2.133 -1.020) 3.072 3.857 ( 2.294 -1.837 1.730) 3.410 3.953 ( -3.341 0.636 -1.455) 3.699 4.201 ( -0.425 -0.176 0.688) 0.828 4.228 ( 0.258 0.191 -0.327) 0.458 4.615 ( 0.657 0.439 -0.324) 0.854 4.625 ( 1.258 0.537 -0.657) 1.517 7.945 ( 0.038 -0.721 0.299) 0.781 7.954 ( 0.193 -0.311 -0.116) 0.384 8.275 ( -0.256 -0.200 1.988) 2.014 8.374 ( 2.901 4.116 -2.325) 5.547 8.626 ( -0.964 -0.943 1.636) 2.120 8.651 ( -0.102 -1.253 3.191) 3.429 8.692 ( -0.060 -2.001 -0.781) 2.149 8.793 ( 0.397 1.592 -2.749) 3.201 8.979 ( 0.379 -0.861 0.946) 1.334 9.016 ( -0.839 1.521 -0.338) 1.769 9.094 ( -0.218 -1.239 -0.357) 1.307 9.108 ( -0.260 -0.539 -1.038) 1.198 ======================= Grid point 83 (31/63) ======================= q-point: (-0.38 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -3.835 5.351 3.757) 7.580 1.266 ( 0.289 6.183 5.416) 8.225 1.341 ( 1.502 2.465 -1.868) 3.438 1.384 ( 1.950 -4.719 1.564) 5.340 1.424 ( 1.616 2.823 1.175) 3.459 1.481 ( 3.814 -2.695 1.295) 4.846 1.553 ( -2.378 -0.517 0.187) 2.441 1.574 ( -0.089 -0.860 2.611) 2.751 1.614 ( -3.127 -5.692 2.492) 6.957 1.655 ( -1.055 -0.444 3.596) 3.774 1.721 ( -1.381 0.411 -4.145) 4.389 1.785 ( 2.053 -2.353 -3.867) 4.971 1.837 ( 0.117 -3.065 -2.245) 3.801 1.848 ( 0.269 5.431 -2.892) 6.159 1.884 ( -0.062 5.191 -0.537) 5.219 1.899 ( 1.221 -4.711 -1.187) 5.010 1.940 ( -1.739 -0.958 -1.291) 2.369 1.955 ( -1.147 -1.087 0.328) 1.614 2.036 ( -1.612 -1.209 -6.641) 6.940 2.073 ( -0.189 0.190 3.957) 3.966 2.088 ( 1.264 0.525 3.184) 3.465 2.106 ( 2.412 0.445 -3.972) 4.668 2.218 ( 2.681 -1.256 0.004) 2.960 2.261 ( 5.225 0.316 1.889) 5.565 2.334 ( -1.432 1.549 -5.517) 5.906 2.378 ( 0.913 -0.130 -2.431) 2.600 2.393 ( -0.851 0.002 -1.233) 1.498 2.415 ( -0.628 -2.546 2.125) 3.375 2.455 ( -4.076 3.155 0.018) 5.155 2.502 ( -6.460 0.352 -0.455) 6.486 2.519 ( -0.206 -1.375 0.711) 1.561 2.580 ( 2.041 1.862 -0.155) 2.767 2.645 ( 0.221 3.513 -1.718) 3.917 2.656 ( 1.022 -1.768 3.074) 3.691 2.697 ( 0.388 -0.319 -2.472) 2.523 2.731 ( 1.694 0.477 0.847) 1.953 2.751 ( -1.288 1.130 2.251) 2.829 2.819 ( 2.265 -1.116 0.549) 2.584 2.868 ( -4.663 0.644 -1.909) 5.079 2.940 ( 0.183 0.562 2.739) 2.802 2.990 ( 1.213 0.810 -0.235) 1.478 3.012 ( 0.911 -1.260 -0.870) 1.781 3.019 ( -1.422 0.490 3.280) 3.608 3.062 ( 1.535 -0.359 1.895) 2.465 3.076 ( -0.016 -2.886 -2.082) 3.558 3.114 ( 2.343 2.827 -2.326) 4.347 3.142 ( -2.445 0.066 -1.532) 2.886 3.147 ( 0.286 0.126 -1.246) 1.285 3.175 ( 1.536 -3.202 -0.053) 3.552 3.186 ( -1.092 -2.054 -1.320) 2.674 3.219 ( 1.144 -0.475 -2.192) 2.517 3.233 ( 2.903 -0.546 -1.522) 3.323 3.307 ( -1.410 -0.315 -0.646) 1.583 3.317 ( -1.435 0.578 -1.603) 2.228 3.446 ( -2.885 -3.201 3.684) 5.670 3.466 ( -1.456 -0.679 1.287) 2.058 3.479 ( -0.251 1.616 -0.075) 1.637 3.540 ( 1.488 -0.598 0.033) 1.604 3.587 ( -0.427 0.104 5.060) 5.079 3.646 ( 4.285 1.971 2.721) 5.445 3.719 ( 1.059 0.354 2.297) 2.554 3.738 ( 0.613 2.835 1.553) 3.290 3.767 ( -1.913 -0.756 -0.486) 2.114 3.806 ( -2.163 1.036 0.233) 2.410 3.836 ( 0.228 1.354 -0.620) 1.507 3.864 ( 1.258 0.459 -1.874) 2.303 3.876 ( -2.778 1.491 0.414) 3.180 3.962 ( 2.470 -2.385 -0.849) 3.537 4.204 ( -0.928 -0.547 0.382) 1.143 4.219 ( 0.011 0.924 -0.156) 0.937 4.609 ( -0.129 0.410 -0.545) 0.694 4.618 ( 0.442 0.761 -0.973) 1.312 7.953 ( -0.076 -0.154 0.130) 0.216 7.955 ( 0.054 0.304 0.043) 0.311 8.284 ( -1.053 -1.349 0.738) 1.864 8.320 ( 1.227 3.038 -0.792) 3.371 8.635 ( -0.799 -0.946 2.506) 2.795 8.661 ( 0.837 0.224 2.020) 2.198 8.736 ( -0.752 -2.720 -1.544) 3.217 8.756 ( 0.558 2.996 -1.926) 3.605 8.986 ( -0.721 1.194 0.772) 1.594 9.001 ( 0.267 -1.339 -0.073) 1.367 9.111 ( 0.147 -0.411 -0.767) 0.882 9.113 ( 0.287 -0.070 -0.770) 0.825 ======================= Grid point 84 (32/63) ======================= q-point: (-0.25 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -3.187 11.701 5.374) 13.264 1.060 ( -2.047 12.864 10.225) 16.559 1.227 ( -0.379 9.077 -5.395) 10.566 1.366 ( 1.136 5.183 3.259) 6.227 1.386 ( -0.476 5.169 -3.087) 6.039 1.487 ( 1.704 3.988 2.214) 4.869 1.510 ( -0.764 3.609 -0.028) 3.689 1.610 ( -0.249 -2.939 1.924) 3.521 1.656 ( 0.098 3.620 -0.768) 3.702 1.681 ( 0.920 0.056 2.241) 2.423 1.717 ( 0.807 4.441 -4.031) 6.052 1.749 ( 0.405 -0.811 2.747) 2.892 1.757 ( 0.764 7.235 -0.450) 7.289 1.824 ( -0.010 2.798 2.635) 3.843 1.855 ( -0.861 -0.255 -1.997) 2.190 1.912 ( -0.469 7.977 0.294) 7.996 1.933 ( -1.651 0.214 -1.757) 2.420 1.969 ( 0.416 4.790 2.148) 5.266 1.998 ( 1.884 -0.729 1.915) 2.784 2.048 ( -0.958 0.241 -2.671) 2.848 2.055 ( -2.160 0.547 1.601) 2.744 2.124 ( 2.165 0.665 -3.760) 4.389 2.189 ( 1.115 1.259 -3.225) 3.637 2.287 ( 4.385 1.389 -3.178) 5.591 2.328 ( 1.108 0.047 -1.513) 1.876 2.347 ( 0.484 3.270 -2.062) 3.896 2.404 ( -2.847 1.498 -2.524) 4.089 2.414 ( -2.674 -1.218 1.883) 3.490 2.444 ( 0.245 -4.177 -8.286) 9.282 2.503 ( -0.116 -1.766 3.540) 3.957 2.523 ( 0.077 0.219 -2.509) 2.520 2.557 ( -1.417 0.785 -1.640) 2.305 2.594 ( -0.325 0.060 -1.126) 1.173 2.638 ( -2.098 2.429 1.549) 3.564 2.695 ( 0.689 0.208 1.853) 1.988 2.714 ( -1.561 -1.507 2.715) 3.476 2.767 ( 4.676 1.546 1.087) 5.043 2.828 ( -3.187 0.409 1.239) 3.444 2.851 ( 0.023 -0.079 -3.445) 3.446 2.888 ( -1.004 2.631 4.762) 5.532 2.990 ( 2.330 1.833 -0.960) 3.116 3.005 ( -0.216 0.289 -0.672) 0.763 3.020 ( 0.105 0.253 1.887) 1.907 3.046 ( 1.800 1.332 2.616) 3.444 3.091 ( -1.896 0.668 -2.175) 2.962 3.109 ( 0.296 0.814 -1.142) 1.433 3.148 ( 0.689 -2.518 -1.553) 3.038 3.163 ( -0.238 -1.779 -2.341) 2.950 3.212 ( 0.031 -0.912 -2.211) 2.392 3.234 ( 2.587 -0.614 -1.517) 3.061 3.253 ( 2.140 -0.582 0.715) 2.330 3.265 ( 2.098 -1.959 -1.694) 3.333 3.306 ( -1.795 -0.867 -2.264) 3.016 3.315 ( -1.683 -1.221 0.081) 2.081 3.433 ( -0.771 1.929 -0.469) 2.129 3.463 ( -1.333 0.041 -0.580) 1.454 3.503 ( -0.307 -2.447 4.256) 4.919 3.563 ( 0.379 1.786 3.221) 3.703 3.570 ( 0.904 1.327 3.198) 3.579 3.615 ( 2.472 2.227 0.891) 3.445 3.639 ( 0.201 5.955 2.385) 6.418 3.681 ( -3.350 3.047 2.232) 5.048 3.750 ( 0.590 2.933 -0.146) 2.996 3.760 ( -0.384 3.367 0.830) 3.489 3.795 ( -1.657 1.520 2.355) 3.256 3.804 ( -2.121 4.314 0.741) 4.864 3.840 ( 1.206 3.327 -0.734) 3.614 4.023 ( 1.192 -2.975 -4.235) 5.310 4.200 ( -0.220 0.760 0.243) 0.828 4.209 ( -0.630 -0.423 -0.171) 0.778 4.600 ( -0.360 0.425 -0.506) 0.753 4.606 ( -0.130 0.562 -0.812) 0.996 7.944 ( -0.011 0.859 0.194) 0.881 7.950 ( -0.090 0.455 -0.049) 0.466 8.282 ( 0.143 1.579 0.646) 1.712 8.311 ( -1.169 -2.212 -0.555) 2.563 8.646 ( 0.421 1.744 0.881) 1.999 8.653 ( -0.029 -0.972 3.145) 3.292 8.688 ( -0.169 4.452 -0.920) 4.549 8.784 ( -0.155 -2.893 -2.344) 3.727 8.966 ( -0.288 0.508 1.807) 1.899 9.030 ( 0.167 -1.563 -1.002) 1.864 9.105 ( 0.297 0.834 -0.248) 0.919 9.119 ( 0.304 -0.131 -0.963) 1.018 ======================= Grid point 85 (33/63) ======================= q-point: (-0.12 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -0.000 14.646 7.702) 16.548 0.811 ( -0.000 13.146 14.462) 19.544 1.041 ( -0.000 10.507 -6.228) 12.214 1.227 ( -0.000 12.289 -6.203) 13.766 1.262 ( -0.000 6.005 4.852) 7.721 1.398 ( -0.000 7.001 5.092) 8.656 1.408 ( -0.000 6.761 0.169) 6.764 1.411 ( -0.000 23.521 7.765) 24.769 1.564 ( -0.000 4.908 1.046) 5.018 1.600 ( -0.000 8.057 -0.861) 8.103 1.643 ( -0.000 0.786 -0.822) 1.137 1.650 ( -0.000 4.231 -0.866) 4.319 1.708 ( -0.000 5.134 0.725) 5.185 1.775 ( -0.000 2.464 5.897) 6.391 1.776 ( 0.000 -0.086 1.662) 1.665 1.848 ( -0.000 2.945 -1.293) 3.216 1.940 ( 0.000 -1.169 -2.219) 2.508 1.973 ( 0.000 -0.148 0.828) 0.841 2.011 ( -0.000 1.118 0.509) 1.228 2.034 ( -0.000 1.808 -7.598) 7.810 2.055 ( 0.000 -3.637 6.504) 7.452 2.105 ( -0.000 1.146 -0.848) 1.425 2.168 ( -0.000 2.231 -10.969) 11.194 2.283 ( -0.000 4.785 -9.818) 10.922 2.298 ( -0.000 1.252 -2.046) 2.399 2.332 ( 0.000 -0.976 -2.837) 3.000 2.333 ( -0.000 0.302 -5.678) 5.687 2.424 ( -0.000 0.770 3.457) 3.542 2.490 ( -0.000 0.407 -8.144) 8.154 2.495 ( -0.000 2.999 -0.338) 3.018 2.523 ( 0.000 -0.293 3.828) 3.839 2.546 ( 0.000 -0.131 4.174) 4.176 2.596 ( -0.000 0.818 1.874) 2.045 2.655 ( 0.000 -4.903 -0.572) 4.936 2.718 ( -0.000 2.970 -0.520) 3.015 2.747 ( 0.000 -6.504 -0.580) 6.530 2.763 ( 0.000 -1.033 2.020) 2.269 2.803 ( -0.000 2.092 -1.055) 2.343 2.821 ( -0.000 1.211 -2.795) 3.046 2.888 ( 0.000 -3.041 5.949) 6.681 2.975 ( -0.000 0.763 4.479) 4.543 3.000 ( 0.000 -0.515 -3.181) 3.223 3.011 ( -0.000 0.498 1.365) 1.453 3.043 ( 0.000 -0.716 0.205) 0.745 3.086 ( -0.000 1.236 -0.131) 1.243 3.093 ( 0.000 -0.177 0.183) 0.255 3.157 ( -0.000 1.184 -2.620) 2.875 3.196 ( 0.000 -0.402 -0.286) 0.493 3.206 ( -0.000 1.158 -0.809) 1.413 3.261 ( 0.000 -0.996 -2.516) 2.706 3.266 ( 0.000 -0.587 3.665) 3.712 3.307 ( 0.000 -3.313 -3.433) 4.771 3.312 ( -0.000 1.003 0.883) 1.337 3.322 ( 0.000 -0.512 -5.298) 5.322 3.405 ( -0.000 1.416 -1.200) 1.856 3.442 ( -0.000 2.709 -3.568) 4.480 3.471 ( -0.000 5.340 3.085) 6.167 3.496 ( -0.000 4.074 4.779) 6.280 3.513 ( -0.000 4.333 1.215) 4.500 3.557 ( -0.000 3.904 3.467) 5.221 3.585 ( -0.000 1.530 2.565) 2.987 3.652 ( -0.000 0.777 3.026) 3.124 3.666 ( -0.000 6.902 -1.719) 7.113 3.682 ( -0.000 4.379 -1.214) 4.544 3.702 ( -0.000 2.785 3.392) 4.389 3.744 ( -0.000 4.775 -0.726) 4.830 3.805 ( 0.000 -0.128 5.277) 5.278 4.092 ( 0.000 -3.968 -7.120) 8.151 4.188 ( -0.000 0.474 0.451) 0.654 4.211 ( -0.000 0.058 -0.533) 0.536 4.588 ( -0.000 0.802 -0.162) 0.818 4.592 ( -0.000 1.070 -0.226) 1.094 7.925 ( -0.000 1.094 0.309) 1.137 7.937 ( -0.000 0.822 -0.191) 0.844 8.264 ( -0.000 0.412 1.828) 1.874 8.349 ( 0.000 -2.265 -1.715) 2.841 8.596 ( -0.000 4.873 0.073) 4.874 8.603 ( -0.000 2.714 -0.239) 2.725 8.677 ( 0.000 -1.272 4.007) 4.204 8.831 ( 0.000 -1.880 -3.368) 3.857 8.965 ( 0.000 -0.450 2.513) 2.553 9.056 ( 0.000 -1.036 -1.515) 1.835 9.090 ( -0.000 0.628 0.740) 0.971 9.125 ( 0.000 -0.496 -1.104) 1.210 ======================= Grid point 88 (34/63) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 14.121 0.000 11.194) 18.020 0.699 ( 12.585 0.000 18.676) 22.521 0.956 ( 7.057 0.000 -5.107) 8.711 1.019 ( 21.968 0.000 12.889) 25.469 1.087 ( 18.214 0.000 -5.667) 19.075 1.155 ( -3.723 -0.000 5.402) 6.561 1.172 ( 1.936 0.000 14.475) 14.604 1.334 ( -1.111 -0.000 0.733) 1.331 1.427 ( -3.507 -0.000 0.819) 3.601 1.500 ( -0.460 -0.000 -4.849) 4.871 1.508 ( 2.371 0.000 4.054) 4.697 1.587 ( 5.849 0.000 -2.031) 6.192 1.618 ( -0.037 -0.000 -1.825) 1.826 1.673 ( -1.861 -0.000 2.862) 3.414 1.765 ( -1.773 -0.000 0.966) 2.019 1.803 ( -2.759 -0.000 -3.008) 4.082 1.880 ( -3.932 -0.000 -5.091) 6.433 1.898 ( -3.836 -0.000 1.261) 4.038 1.965 ( -3.803 -0.000 -8.326) 9.153 1.994 ( -1.666 -0.000 1.096) 1.994 2.085 ( -0.329 -0.000 -18.718) 18.721 2.123 ( 4.582 0.000 1.400) 4.791 2.178 ( -3.554 -0.000 -0.946) 3.678 2.199 ( 3.441 0.000 -5.021) 6.087 2.225 ( -2.291 -0.000 3.343) 4.052 2.294 ( 2.075 0.000 -1.585) 2.611 2.362 ( -0.939 -0.000 -1.850) 2.075 2.373 ( -0.875 -0.000 -1.284) 1.553 2.394 ( -4.442 -0.000 -2.990) 5.354 2.438 ( -1.824 -0.000 -3.318) 3.786 2.541 ( -5.165 -0.000 1.896) 5.502 2.571 ( 0.424 0.000 1.667) 1.720 2.581 ( 3.145 0.000 0.803) 3.245 2.639 ( 1.957 0.000 -1.728) 2.611 2.762 ( -2.181 -0.000 3.835) 4.412 2.767 ( -4.903 -0.000 0.337) 4.915 2.776 ( -0.790 -0.000 0.487) 0.928 2.794 ( -5.325 -0.000 4.593) 7.032 2.801 ( -2.875 -0.000 -1.207) 3.118 2.874 ( -1.102 -0.000 5.605) 5.712 2.904 ( -0.523 -0.000 3.783) 3.819 2.909 ( -1.256 -0.000 1.095) 1.666 3.030 ( -1.650 -0.000 1.603) 2.300 3.041 ( -2.030 -0.000 -1.654) 2.619 3.077 ( -7.286 -0.000 0.383) 7.296 3.083 ( -0.546 -0.000 -5.209) 5.237 3.129 ( -0.218 -0.000 -4.539) 4.545 3.149 ( 0.964 0.000 3.116) 3.261 3.166 ( -0.150 -0.000 -1.618) 1.625 3.226 ( -1.413 -0.000 5.591) 5.767 3.248 ( 1.426 0.000 2.856) 3.192 3.309 ( 1.314 0.000 -0.601) 1.446 3.315 ( -1.071 -0.000 0.216) 1.092 3.335 ( -0.442 -0.000 1.799) 1.853 3.365 ( -0.357 -0.000 -0.142) 0.385 3.373 ( -0.204 -0.000 -0.961) 0.982 3.418 ( 3.130 0.000 -1.462) 3.455 3.435 ( 0.209 0.000 -1.817) 1.829 3.456 ( 3.623 0.000 -0.413) 3.647 3.460 ( 2.599 0.000 0.232) 2.609 3.547 ( 5.841 0.000 -2.239) 6.255 3.586 ( 1.427 0.000 -1.179) 1.851 3.641 ( 7.372 0.000 0.167) 7.374 3.661 ( 1.541 0.000 -0.007) 1.541 3.702 ( 4.866 0.000 0.488) 4.890 3.735 ( -2.605 -0.000 -0.861) 2.743 3.825 ( 3.079 0.000 5.342) 6.166 3.985 ( -2.331 -0.000 1.240) 2.641 4.202 ( -0.690 -0.000 -0.382) 0.788 4.243 ( -2.698 -0.000 -3.636) 4.527 4.596 ( 3.023 0.000 0.828) 3.135 4.606 ( 2.724 0.000 0.205) 2.732 7.905 ( 0.421 0.000 0.508) 0.659 7.923 ( 0.486 0.000 -0.261) 0.552 8.297 ( 2.055 0.000 3.999) 4.496 8.471 ( 1.082 0.000 -0.634) 1.254 8.568 ( 1.803 0.000 0.050) 1.804 8.577 ( 5.525 0.000 -4.864) 7.361 8.756 ( -0.801 -0.000 0.024) 0.801 8.798 ( -0.659 -0.000 -1.870) 1.983 8.971 ( -0.131 -0.000 2.067) 2.071 9.037 ( -2.565 -0.000 1.008) 2.756 9.091 ( -0.182 -0.000 -1.655) 1.665 9.094 ( -3.103 -0.000 -0.552) 3.151 ======================= Grid point 89 (35/63) ======================= q-point: ( 0.38 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 10.889 -8.986 8.969) 16.726 0.845 ( 12.833 -7.184 12.836) 19.521 1.013 ( 6.595 -2.789 -2.479) 7.577 1.122 ( -3.253 -3.144 6.013) 7.525 1.207 ( 0.385 -7.304 4.942) 8.827 1.278 ( 12.918 -6.535 -5.068) 15.338 1.325 ( 2.342 -7.460 7.219) 10.642 1.360 ( 5.190 -5.257 1.088) 7.467 1.421 ( 1.520 -2.993 5.939) 6.823 1.518 ( 0.913 -1.626 -3.923) 4.344 1.557 ( 2.970 -3.350 2.642) 5.199 1.618 ( -0.933 -2.858 -0.157) 3.011 1.675 ( -1.082 -1.531 0.384) 1.914 1.692 ( 4.972 -2.561 -4.243) 7.020 1.748 ( -4.205 -0.772 -0.739) 4.339 1.803 ( -4.365 -2.698 -0.875) 5.205 1.879 ( 0.636 -2.303 -0.695) 2.488 1.887 ( -1.580 -0.827 -0.204) 1.795 1.947 ( -3.226 -0.760 -3.029) 4.490 1.979 ( -2.315 -0.469 0.152) 2.367 2.076 ( -0.970 1.085 -11.354) 11.447 2.108 ( 1.940 1.009 -1.481) 2.641 2.174 ( -2.942 1.261 2.252) 3.914 2.210 ( 0.188 -2.614 0.110) 2.623 2.260 ( -2.044 2.556 -1.909) 3.789 2.287 ( 1.831 -2.262 -5.156) 5.920 2.330 ( -0.162 -2.851 -2.118) 3.555 2.387 ( -4.975 -1.910 1.306) 5.486 2.432 ( -2.464 -1.429 -1.524) 3.230 2.476 ( 3.294 -5.358 -4.865) 7.951 2.516 ( -3.136 -0.514 1.152) 3.380 2.575 ( -0.486 1.093 0.006) 1.196 2.604 ( 2.353 -0.929 0.213) 2.538 2.651 ( 0.926 -0.481 -2.072) 2.320 2.694 ( -3.463 2.054 3.252) 5.175 2.743 ( -5.043 -1.398 0.847) 5.301 2.764 ( -0.774 1.186 0.935) 1.697 2.778 ( -0.014 0.539 0.762) 0.934 2.823 ( -0.334 -2.135 -0.832) 2.316 2.868 ( -0.799 -0.359 2.544) 2.691 2.912 ( -1.170 -2.157 1.272) 2.764 2.946 ( -0.907 0.325 0.860) 1.292 2.985 ( -2.141 0.591 1.189) 2.520 2.997 ( -1.127 2.510 0.432) 2.785 3.031 ( -3.691 -0.248 -1.561) 4.016 3.053 ( -1.254 0.696 -1.576) 2.132 3.125 ( -1.119 0.335 -0.078) 1.170 3.154 ( 0.109 1.416 -1.664) 2.188 3.175 ( -1.183 -1.721 -1.313) 2.467 3.221 ( 0.795 -0.874 1.977) 2.303 3.235 ( -1.628 1.560 1.846) 2.914 3.305 ( 0.333 1.666 1.416) 2.212 3.326 ( 0.551 -1.035 -0.601) 1.318 3.373 ( 1.115 -2.159 2.624) 3.576 3.387 ( -0.618 -1.775 0.858) 2.066 3.415 ( 0.516 -1.513 -0.498) 1.674 3.439 ( -0.267 -3.926 -0.026) 3.936 3.474 ( 3.242 -3.528 -0.877) 4.871 3.488 ( -0.018 -0.246 0.933) 0.965 3.505 ( 2.618 -2.913 -0.913) 4.022 3.577 ( -0.647 0.219 1.243) 1.418 3.623 ( 3.320 -4.314 -2.355) 5.931 3.672 ( 1.746 -0.611 -0.716) 1.983 3.711 ( 5.305 -3.172 -0.910) 6.247 3.740 ( 2.859 -2.024 0.766) 3.586 3.768 ( 3.154 -1.850 -0.816) 3.747 3.839 ( 2.492 0.360 3.740) 4.508 3.972 ( -3.269 0.386 -0.373) 3.313 4.202 ( -1.135 -0.386 -0.526) 1.309 4.217 ( -2.037 0.287 -1.194) 2.378 4.618 ( 2.153 -0.388 0.586) 2.265 4.626 ( 2.415 -0.325 0.156) 2.442 7.914 ( 0.368 -0.643 0.513) 0.901 7.932 ( 0.430 -0.591 -0.260) 0.776 8.299 ( 1.526 0.912 4.158) 4.522 8.489 ( 1.438 -0.541 -1.973) 2.501 8.581 ( 2.913 0.338 0.407) 2.961 8.597 ( 3.030 0.125 -1.766) 3.509 8.708 ( -1.283 2.339 1.807) 3.222 8.812 ( -1.635 -0.717 -3.320) 3.769 8.968 ( -0.076 0.165 1.935) 1.944 9.035 ( -0.805 -0.996 0.035) 1.281 9.073 ( -1.481 0.549 -0.522) 1.664 9.087 ( -1.033 -0.021 -1.539) 1.853 ======================= Grid point 90 (36/63) ======================= q-point: ( 0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 7.323 -10.673 7.494) 14.956 1.079 ( 11.915 -9.022 4.410) 15.582 1.126 ( 0.503 -6.280 2.083) 6.635 1.211 ( 1.060 -7.361 0.894) 7.491 1.321 ( -1.272 -5.982 2.299) 6.534 1.383 ( -8.101 -4.928 0.158) 9.484 1.411 ( -5.384 -4.626 3.981) 8.139 1.448 ( 6.447 -4.254 -4.633) 9.007 1.557 ( -0.886 -2.594 -1.013) 2.922 1.607 ( 2.609 -3.751 -0.780) 4.635 1.655 ( 2.732 -5.016 -2.377) 6.186 1.687 ( -0.503 -1.817 1.738) 2.564 1.705 ( 0.861 -0.719 -0.105) 1.127 1.764 ( 0.011 -8.305 1.725) 8.483 1.770 ( -2.769 -4.688 -1.475) 5.641 1.849 ( 0.562 -2.683 -0.851) 2.870 1.916 ( 0.120 -2.441 2.158) 3.261 1.937 ( 3.260 -0.405 -1.026) 3.441 1.973 ( -0.923 -3.279 1.674) 3.796 2.011 ( 3.015 -4.291 2.006) 5.615 2.030 ( -1.754 1.439 -2.778) 3.587 2.126 ( 0.729 -0.966 -3.741) 3.932 2.152 ( -2.694 -0.334 -2.804) 3.903 2.230 ( -0.330 -1.145 2.116) 2.428 2.246 ( -1.633 -1.182 -2.838) 3.481 2.310 ( 3.377 -0.718 -2.007) 3.993 2.393 ( -2.605 -1.783 1.293) 3.411 2.409 ( -2.073 -2.846 -1.578) 3.859 2.471 ( -0.761 -0.737 -1.554) 1.880 2.492 ( -1.783 -2.514 2.197) 3.785 2.529 ( -2.018 0.438 -0.602) 2.150 2.573 ( -0.643 -1.029 -1.656) 2.053 2.614 ( 0.732 0.007 -1.179) 1.388 2.668 ( 1.350 1.004 0.280) 1.706 2.688 ( 0.052 -2.374 -0.932) 2.551 2.735 ( 0.293 2.083 1.087) 2.367 2.754 ( 0.670 0.603 -1.235) 1.529 2.801 ( -1.654 -4.747 -1.834) 5.351 2.828 ( -0.961 -1.194 -1.812) 2.373 2.872 ( -0.612 1.103 1.322) 1.827 2.922 ( 2.301 -1.696 -0.989) 3.025 2.948 ( 0.497 -1.812 0.409) 1.923 2.993 ( 0.438 -0.344 -2.454) 2.516 3.020 ( -2.509 -2.468 3.623) 5.051 3.027 ( -0.991 -4.258 -0.117) 4.373 3.063 ( -1.088 -1.852 -1.041) 2.387 3.100 ( -3.000 0.610 -0.405) 3.088 3.146 ( 1.560 0.075 -0.161) 1.570 3.182 ( -2.188 0.635 0.633) 2.365 3.194 ( -2.016 0.996 1.366) 2.631 3.229 ( 1.690 0.610 -1.619) 2.418 3.276 ( -1.088 1.000 -0.182) 1.489 3.329 ( -0.523 1.104 -1.283) 1.771 3.375 ( -0.747 2.486 -3.661) 4.488 3.418 ( 1.049 -0.675 2.836) 3.099 3.433 ( 0.892 -1.840 4.017) 4.508 3.473 ( -1.029 0.269 2.921) 3.109 3.530 ( -0.712 -2.661 2.824) 3.945 3.540 ( -0.506 -1.808 -0.101) 1.880 3.592 ( 0.496 -4.691 0.814) 4.786 3.611 ( 4.604 -4.540 -1.032) 6.548 3.694 ( 0.210 -1.177 -1.858) 2.210 3.727 ( 2.228 -3.989 -0.518) 4.598 3.787 ( 2.726 -1.906 -0.437) 3.355 3.809 ( 0.383 -3.964 0.353) 3.998 3.811 ( 2.967 -0.665 -0.120) 3.043 3.854 ( 2.346 -0.152 1.312) 2.692 3.932 ( -3.561 0.645 -0.215) 3.625 4.197 ( -0.781 -0.113 0.227) 0.821 4.221 ( -0.508 -0.843 -0.212) 1.007 4.630 ( 1.123 0.318 0.230) 1.189 4.641 ( 1.509 0.169 -0.209) 1.533 7.930 ( 0.170 -0.859 0.453) 0.986 7.946 ( 0.248 -0.654 -0.244) 0.740 8.286 ( 0.565 1.107 3.661) 3.866 8.474 ( 2.677 3.897 -4.765) 6.712 8.603 ( 0.682 -1.281 2.417) 2.820 8.616 ( 0.789 -1.178 1.992) 2.445 8.677 ( -1.257 0.086 0.919) 1.560 8.808 ( -0.633 0.170 -3.489) 3.550 8.969 ( 0.130 -0.338 1.469) 1.513 9.039 ( -0.493 1.163 -1.046) 1.640 9.067 ( -0.376 -1.320 0.078) 1.375 9.090 ( -0.613 -0.932 -1.224) 1.656 ======================= Grid point 91 (37/63) ======================= q-point: ( 0.62 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( 0.718 -2.978 4.871) 5.754 1.246 ( 0.485 -8.307 3.441) 9.005 1.292 ( 8.060 -5.957 1.620) 10.152 1.359 ( 1.339 -4.774 -1.515) 5.184 1.415 ( 0.971 -5.005 3.033) 5.932 1.438 ( -3.631 -5.396 0.077) 6.505 1.462 ( -2.305 -4.305 2.637) 5.550 1.510 ( -1.804 -0.775 -1.467) 2.451 1.587 ( -1.085 1.140 -0.737) 1.738 1.611 ( -3.381 -1.845 3.672) 5.321 1.710 ( 1.031 -1.474 -2.334) 2.947 1.741 ( 0.657 -2.596 -1.853) 3.257 1.786 ( 1.661 -2.707 0.470) 3.211 1.807 ( 1.393 -6.299 -3.741) 7.457 1.878 ( -3.148 -3.415 -1.984) 5.050 1.900 ( -0.638 -1.900 -1.977) 2.815 1.935 ( 0.807 1.108 0.729) 1.553 1.941 ( -0.641 0.083 2.601) 2.681 2.002 ( -1.330 -0.658 -6.186) 6.362 2.059 ( 0.874 -2.575 3.098) 4.122 2.105 ( 0.262 1.161 0.208) 1.208 2.128 ( 1.091 0.159 -5.602) 5.710 2.153 ( 1.807 -4.327 -0.001) 4.689 2.275 ( 0.949 -2.417 0.031) 2.597 2.288 ( 0.886 -3.774 1.820) 4.282 2.353 ( 0.990 -1.604 -0.665) 1.999 2.389 ( -1.974 0.299 0.307) 2.020 2.449 ( 1.011 -1.535 0.203) 1.849 2.459 ( -0.151 1.209 -3.889) 4.075 2.496 ( -1.331 1.896 0.285) 2.334 2.522 ( -2.990 2.692 1.502) 4.294 2.558 ( -1.837 -4.291 2.763) 5.424 2.633 ( 3.109 0.088 3.445) 4.641 2.682 ( -2.284 1.658 -0.593) 2.883 2.691 ( 2.615 -2.011 -4.332) 5.445 2.730 ( -2.207 -1.748 0.079) 2.816 2.764 ( 3.819 -0.116 -0.846) 3.913 2.829 ( -3.445 0.087 -2.446) 4.225 2.846 ( -0.279 0.444 1.297) 1.399 2.901 ( 0.276 -4.289 -1.614) 4.591 2.984 ( 3.326 -1.919 -1.600) 4.160 2.994 ( 0.195 -1.720 -0.265) 1.751 3.021 ( 0.607 -2.352 -1.366) 2.786 3.055 ( -0.098 1.168 3.246) 3.451 3.066 ( 1.241 -1.494 1.435) 2.415 3.093 ( -3.238 -3.164 -0.454) 4.549 3.113 ( 0.118 -2.713 2.832) 3.923 3.121 ( -2.299 1.054 -0.365) 2.555 3.155 ( -0.491 -0.150 1.125) 1.237 3.192 ( 0.711 0.424 -3.144) 3.251 3.231 ( 0.954 0.921 -3.513) 3.755 3.250 ( 2.466 1.290 -1.698) 3.260 3.292 ( -3.070 0.627 -1.727) 3.578 3.329 ( -0.994 1.578 -3.138) 3.650 3.400 ( -1.454 0.617 5.053) 5.294 3.455 ( 0.037 -0.465 3.261) 3.294 3.493 ( 1.168 -0.632 1.356) 1.897 3.527 ( -2.309 -0.334 1.807) 2.951 3.579 ( 0.643 -1.055 4.034) 4.219 3.660 ( -0.078 -3.550 2.370) 4.270 3.716 ( 2.266 -0.113 -1.927) 2.976 3.732 ( 4.419 -3.598 -2.333) 6.158 3.777 ( 0.456 -0.116 -0.239) 0.528 3.807 ( -2.216 -0.188 -0.986) 2.433 3.833 ( -1.014 -0.238 -1.705) 1.998 3.841 ( -0.693 -0.654 -0.788) 1.236 3.883 ( 1.390 -1.682 3.317) 3.971 3.936 ( 0.242 -1.659 0.754) 1.838 4.195 ( -0.362 -0.002 0.736) 0.820 4.228 ( -0.117 0.020 -0.358) 0.377 4.622 ( 0.318 0.861 -0.136) 0.928 4.637 ( 0.579 0.880 -0.766) 1.303 7.945 ( 0.016 -0.641 0.318) 0.716 7.956 ( 0.077 -0.246 -0.157) 0.301 8.273 ( -0.083 0.329 2.546) 2.569 8.401 ( 1.247 4.783 -3.099) 5.834 8.616 ( -0.461 -0.637 2.026) 2.174 8.650 ( -0.021 -1.581 3.388) 3.739 8.690 ( -0.118 -1.803 -0.858) 2.000 8.796 ( 0.177 1.156 -2.956) 3.179 8.981 ( 0.065 -0.887 0.708) 1.137 9.008 ( -0.425 1.559 0.056) 1.617 9.094 ( 0.033 -1.380 -0.575) 1.495 9.106 ( -0.034 -0.837 -1.090) 1.375 ======================= Grid point 92 (38/63) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( -0.000 6.178 4.454) 7.616 1.261 ( -0.000 8.734 7.059) 11.230 1.355 ( -0.000 4.305 -5.201) 6.751 1.398 ( 0.000 -4.553 2.145) 5.033 1.452 ( -0.000 3.535 1.923) 4.024 1.504 ( 0.000 -2.488 0.143) 2.493 1.530 ( 0.000 -2.345 -0.741) 2.459 1.571 ( 0.000 -1.231 3.184) 3.413 1.594 ( 0.000 -8.091 2.790) 8.558 1.642 ( 0.000 -2.205 5.350) 5.787 1.714 ( -0.000 0.844 -4.807) 4.880 1.796 ( 0.000 -3.075 -4.241) 5.239 1.840 ( 0.000 -1.825 -2.141) 2.814 1.848 ( -0.000 5.267 -2.852) 5.989 1.886 ( -0.000 4.949 0.398) 4.965 1.914 ( 0.000 -1.822 -2.033) 2.730 1.929 ( 0.000 -0.098 -1.481) 1.485 1.939 ( 0.000 -5.101 1.123) 5.223 2.025 ( 0.000 -1.764 -7.029) 7.247 2.074 ( -0.000 0.646 3.924) 3.976 2.095 ( -0.000 1.877 5.625) 5.930 2.126 ( 0.000 -0.272 -6.262) 6.268 2.245 ( 0.000 -2.144 -1.552) 2.647 2.296 ( -0.000 0.583 -1.179) 1.315 2.348 ( 0.000 -1.509 4.783) 5.015 2.372 ( -0.000 0.042 -4.331) 4.331 2.383 ( -0.000 1.291 1.145) 1.726 2.397 ( -0.000 0.456 -5.846) 5.864 2.432 ( -0.000 3.049 0.141) 3.052 2.450 ( 0.000 -0.205 0.020) 0.206 2.517 ( 0.000 -2.057 1.025) 2.298 2.603 ( -0.000 2.590 -1.639) 3.065 2.645 ( -0.000 2.644 -3.756) 4.594 2.651 ( 0.000 -0.397 5.641) 5.655 2.704 ( -0.000 1.296 -2.663) 2.961 2.730 ( -0.000 2.243 5.029) 5.506 2.764 ( 0.000 -2.441 2.592) 3.561 2.828 ( -0.000 1.414 0.888) 1.670 2.836 ( 0.000 -1.630 -5.559) 5.793 2.940 ( -0.000 1.506 4.319) 4.574 3.003 ( -0.000 0.500 0.777) 0.924 3.008 ( 0.000 -0.378 4.525) 4.540 3.012 ( -0.000 0.007 -4.248) 4.248 3.067 ( 0.000 -3.169 -2.121) 3.813 3.096 ( -0.000 1.396 3.929) 4.169 3.110 ( 0.000 -0.626 -4.293) 4.338 3.133 ( -0.000 2.127 -2.159) 3.031 3.158 ( 0.000 -3.647 -1.102) 3.810 3.168 ( -0.000 1.282 -2.236) 2.578 3.194 ( 0.000 -5.092 2.066) 5.495 3.225 ( 0.000 -1.550 -2.146) 2.647 3.257 ( -0.000 0.279 -1.287) 1.317 3.295 ( 0.000 -1.107 -0.255) 1.136 3.301 ( -0.000 0.851 -4.089) 4.177 3.428 ( 0.000 -3.875 4.998) 6.324 3.455 ( -0.000 0.162 2.095) 2.101 3.477 ( -0.000 2.112 -0.387) 2.147 3.547 ( 0.000 -2.315 0.454) 2.359 3.585 ( -0.000 0.534 5.520) 5.545 3.679 ( -0.000 2.547 1.745) 3.087 3.732 ( -0.000 0.639 2.154) 2.247 3.743 ( -0.000 3.672 0.452) 3.700 3.747 ( -0.000 0.770 1.003) 1.264 3.808 ( -0.000 1.781 -2.887) 3.392 3.819 ( 0.000 -0.576 0.575) 0.814 3.845 ( -0.000 0.975 -1.646) 1.913 3.885 ( -0.000 1.405 1.410) 1.990 3.978 ( 0.000 -2.437 -0.853) 2.582 4.197 ( 0.000 -0.417 0.454) 0.617 4.218 ( -0.000 0.973 -0.272) 1.010 4.608 ( -0.000 0.653 -0.464) 0.801 4.621 ( -0.000 0.994 -1.070) 1.460 7.952 ( 0.000 -0.121 0.138) 0.184 7.955 ( -0.000 0.332 0.013) 0.332 8.278 ( 0.000 -1.002 1.052) 1.453 8.328 ( -0.000 3.402 -1.117) 3.581 8.630 ( 0.000 -1.094 2.627) 2.846 8.666 ( -0.000 0.061 1.946) 1.947 8.731 ( 0.000 -2.665 -1.483) 3.050 8.759 ( -0.000 3.059 -2.014) 3.662 8.981 ( -0.000 1.151 0.993) 1.520 9.003 ( 0.000 -1.370 -0.190) 1.384 9.112 ( 0.000 -0.474 -0.812) 0.940 9.115 ( 0.000 -0.193 -0.808) 0.831 ======================= Grid point 97 (39/63) ======================= q-point: ( 0.38 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 14.237 0.000 8.659) 16.664 0.837 ( 10.443 0.000 18.540) 21.279 1.022 ( 0.407 0.000 4.986) 5.003 1.069 ( -9.026 -0.000 5.510) 10.575 1.123 ( 3.241 0.000 3.550) 4.807 1.288 ( -1.042 -0.000 0.266) 1.075 1.314 ( 17.025 0.000 -5.178) 17.795 1.352 ( 2.932 0.000 2.563) 3.894 1.426 ( 15.211 0.000 7.074) 16.775 1.512 ( 1.886 0.000 -5.289) 5.615 1.541 ( 2.629 0.000 4.084) 4.857 1.581 ( -2.630 -0.000 -1.526) 3.041 1.659 ( 0.080 0.000 0.222) 0.236 1.692 ( 2.504 0.000 -3.676) 4.448 1.731 ( -2.940 -0.000 -5.315) 6.074 1.745 ( -1.374 -0.000 1.420) 1.976 1.847 ( -1.574 -0.000 -2.831) 3.239 1.858 ( -2.392 -0.000 2.929) 3.781 1.922 ( -3.992 -0.000 -4.000) 5.651 1.949 ( -6.583 -0.000 1.403) 6.731 2.068 ( -2.629 -0.000 -15.247) 15.472 2.138 ( -1.428 -0.000 -4.141) 4.380 2.174 ( 2.601 0.000 0.380) 2.629 2.205 ( -0.980 -0.000 2.317) 2.516 2.241 ( 2.624 0.000 -2.340) 3.515 2.267 ( -11.414 -0.000 2.606) 11.708 2.327 ( 2.752 0.000 -0.500) 2.797 2.369 ( 2.194 0.000 -5.517) 5.938 2.374 ( -0.183 -0.000 -0.505) 0.537 2.416 ( -1.560 -0.000 -3.390) 3.731 2.494 ( -2.650 -0.000 3.484) 4.377 2.586 ( 1.748 0.000 -1.420) 2.252 2.620 ( 1.585 0.000 -2.141) 2.664 2.628 ( -4.723 -0.000 -2.521) 5.353 2.711 ( -0.088 -0.000 0.382) 0.392 2.715 ( -1.743 -0.000 0.411) 1.791 2.759 ( -1.383 -0.000 2.317) 2.698 2.785 ( -1.811 -0.000 -2.012) 2.707 2.789 ( 0.511 0.000 4.663) 4.691 2.859 ( -1.284 -0.000 4.648) 4.823 2.899 ( -0.424 -0.000 0.470) 0.633 2.905 ( 0.740 0.000 3.779) 3.851 2.986 ( -5.802 -0.000 2.398) 6.278 3.013 ( -1.941 -0.000 -0.815) 2.105 3.016 ( -1.540 -0.000 1.953) 2.487 3.085 ( 0.340 0.000 -4.114) 4.128 3.130 ( 0.949 0.000 -4.992) 5.081 3.165 ( 1.336 0.000 3.249) 3.513 3.170 ( -0.046 -0.000 -4.325) 4.325 3.215 ( -0.574 -0.000 3.045) 3.098 3.254 ( -0.225 -0.000 3.282) 3.290 3.285 ( -1.102 -0.000 0.692) 1.301 3.326 ( -0.880 -0.000 1.848) 2.047 3.335 ( 0.038 0.000 0.970) 0.971 3.364 ( -0.853 -0.000 -0.730) 1.122 3.378 ( 3.050 0.000 2.413) 3.889 3.435 ( -0.144 -0.000 -1.856) 1.862 3.456 ( 2.076 0.000 -0.442) 2.123 3.469 ( -1.260 -0.000 1.776) 2.177 3.509 ( 5.397 0.000 -0.601) 5.430 3.589 ( 1.696 0.000 -3.653) 4.027 3.599 ( 0.816 0.000 -1.479) 1.689 3.664 ( 0.039 0.000 -0.792) 0.793 3.672 ( -3.612 -0.000 -1.195) 3.805 3.748 ( 4.877 0.000 1.646) 5.148 3.799 ( 8.103 0.000 -0.798) 8.142 3.858 ( 2.158 0.000 3.065) 3.748 3.965 ( -1.232 -0.000 0.143) 1.241 4.189 ( -1.264 -0.000 -0.276) 1.294 4.201 ( -3.500 -0.000 -1.403) 3.771 4.627 ( 1.821 0.000 0.806) 1.992 4.637 ( 2.048 0.000 0.188) 2.057 7.911 ( 0.373 0.000 0.547) 0.663 7.929 ( 0.386 0.000 -0.253) 0.462 8.319 ( 1.414 0.000 4.772) 4.977 8.482 ( 0.699 0.000 0.861) 1.109 8.589 ( 1.488 0.000 1.155) 1.884 8.630 ( 3.048 0.000 -2.768) 4.117 8.737 ( -1.882 -0.000 -1.912) 2.683 8.788 ( -0.887 -0.000 -2.922) 3.054 8.970 ( -0.119 -0.000 1.824) 1.828 9.019 ( -0.488 -0.000 0.071) 0.493 9.061 ( -1.998 -0.000 -0.381) 2.034 9.090 ( -0.018 -0.000 -2.081) 2.081 ======================= Grid point 98 (40/63) ======================= q-point: ( 0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 10.214 -6.110 8.254) 14.484 0.988 ( 6.755 -7.412 10.722) 14.680 1.015 ( -2.793 -4.391 7.828) 9.400 1.114 ( -3.824 -6.866 2.992) 8.409 1.178 ( 2.945 -3.795 2.550) 5.438 1.272 ( -7.042 -1.611 -2.051) 7.509 1.354 ( -0.321 -0.587 4.959) 5.004 1.439 ( 9.719 -2.405 -4.638) 11.034 1.520 ( 2.965 -1.074 -2.716) 4.162 1.566 ( 0.647 -2.125 0.288) 2.240 1.585 ( 2.250 -4.427 -1.030) 5.071 1.614 ( 1.890 -3.710 -0.443) 4.187 1.661 ( -4.074 -1.908 -0.641) 4.544 1.691 ( 3.776 -1.620 0.485) 4.137 1.733 ( 0.078 -0.147 -1.360) 1.370 1.799 ( 2.695 -3.110 -3.937) 5.695 1.868 ( -0.915 -2.132 2.395) 3.334 1.885 ( -0.911 -4.029 -0.211) 4.136 1.924 ( -1.331 -2.803 -1.048) 3.275 1.938 ( -2.798 -4.367 3.080) 6.032 2.066 ( -0.697 -0.994 -13.232) 13.287 2.105 ( -1.253 2.054 -0.822) 2.543 2.156 ( 0.332 2.891 2.926) 4.126 2.193 ( -5.564 -0.657 2.650) 6.197 2.223 ( -0.541 -0.747 0.723) 1.172 2.305 ( 0.130 -2.486 -2.085) 3.248 2.327 ( 1.622 -1.852 -2.707) 3.658 2.366 ( 0.552 -4.025 0.377) 4.080 2.397 ( -2.515 0.389 -1.154) 2.794 2.484 ( -1.101 -0.261 4.161) 4.312 2.528 ( 4.331 -6.444 -7.523) 10.811 2.555 ( -1.611 3.642 -1.858) 4.394 2.596 ( -5.119 -1.538 -3.045) 6.152 2.644 ( 0.199 -0.953 -2.601) 2.777 2.686 ( 1.810 0.760 1.869) 2.711 2.721 ( -0.336 -0.508 1.120) 1.275 2.760 ( -0.299 -0.847 -0.975) 1.325 2.776 ( -0.326 1.103 2.997) 3.210 2.829 ( 1.469 -3.626 -1.502) 4.191 2.865 ( -0.085 2.041 0.263) 2.059 2.890 ( -1.888 -2.241 1.435) 3.263 2.939 ( -0.143 -1.298 1.584) 2.053 2.955 ( -2.183 -1.147 1.709) 3.001 2.982 ( -0.736 0.783 3.679) 3.832 3.003 ( -1.041 0.379 -1.314) 1.719 3.065 ( 2.537 2.323 -3.330) 4.788 3.100 ( -2.597 1.410 -1.880) 3.502 3.156 ( -0.145 0.028 -4.167) 4.169 3.165 ( -0.170 0.788 1.832) 2.001 3.221 ( -0.439 2.095 3.447) 4.058 3.230 ( 0.393 -1.324 -0.416) 1.442 3.309 ( 0.271 0.501 1.180) 1.310 3.326 ( -0.193 0.782 -0.314) 0.865 3.377 ( -0.572 -3.808 2.541) 4.613 3.408 ( 2.835 -0.521 3.063) 4.206 3.417 ( 0.694 0.270 0.239) 0.782 3.437 ( -0.064 -7.619 0.418) 7.631 3.464 ( -3.203 -0.621 2.730) 4.254 3.495 ( 0.690 -2.388 -1.450) 2.878 3.562 ( 4.206 -0.527 -1.699) 4.567 3.573 ( 0.841 -0.051 -0.228) 0.872 3.639 ( -1.143 -3.133 -3.635) 4.933 3.665 ( -1.643 -3.206 -0.070) 3.604 3.721 ( -0.261 -4.009 -1.045) 4.151 3.784 ( 2.536 -1.210 1.927) 3.407 3.839 ( 4.814 0.275 -0.729) 4.876 3.865 ( 1.347 0.227 1.541) 2.059 3.942 ( -1.809 1.669 -0.236) 2.473 4.184 ( -1.254 -0.453 -0.253) 1.357 4.197 ( -0.963 -1.143 -0.201) 1.508 4.637 ( 0.838 -0.111 0.657) 1.070 4.649 ( 1.043 -0.130 0.085) 1.054 7.918 ( 0.180 -0.568 0.536) 0.801 7.936 ( 0.192 -0.541 -0.261) 0.630 8.313 ( 0.616 1.223 4.731) 4.926 8.500 ( 0.448 -1.134 -0.571) 1.346 8.600 ( 0.697 -0.293 1.616) 1.785 8.640 ( 3.127 0.867 -1.380) 3.526 8.684 ( -2.317 2.909 -0.292) 3.730 8.796 ( -0.774 -0.778 -3.788) 3.944 8.968 ( -0.008 0.053 1.691) 1.692 9.031 ( -0.042 -1.222 -0.543) 1.338 9.056 ( -0.823 -0.302 -0.246) 0.910 9.081 ( -0.133 0.613 -1.806) 1.912 ======================= Grid point 99 (41/63) ======================= q-point: ( 0.62 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 0.000 -9.122 4.917) 10.363 1.086 ( 0.000 -7.261 6.650) 9.846 1.186 ( 0.000 -7.909 3.295) 8.568 1.247 ( 0.000 -8.047 0.377) 8.056 1.295 ( 0.000 -7.243 1.498) 7.396 1.296 ( 0.000 -5.393 0.970) 5.479 1.380 ( 0.000 -2.720 4.644) 5.381 1.499 ( 0.000 -1.453 -4.222) 4.465 1.553 ( 0.000 -1.709 0.636) 1.824 1.607 ( 0.000 -1.483 -5.745) 5.933 1.662 ( 0.000 -3.996 -1.967) 4.454 1.692 ( 0.000 -5.366 -3.881) 6.623 1.710 ( 0.000 -1.144 0.471) 1.237 1.756 ( 0.000 -1.765 2.563) 3.112 1.768 ( 0.000 -6.744 0.819) 6.793 1.855 ( 0.000 -2.570 -2.599) 3.655 1.912 ( 0.000 -2.236 3.381) 4.054 1.955 ( 0.000 -2.817 -0.387) 2.843 1.978 ( 0.000 -1.980 -3.093) 3.672 2.013 ( -0.000 2.332 6.386) 6.799 2.052 ( 0.000 -6.014 1.657) 6.238 2.112 ( 0.000 -2.422 -10.961) 11.225 2.151 ( 0.000 -0.106 -0.338) 0.354 2.222 ( 0.000 -4.014 6.417) 7.569 2.233 ( 0.000 -0.545 -3.211) 3.257 2.346 ( 0.000 -0.876 -0.507) 1.012 2.372 ( -0.000 0.047 -0.526) 0.528 2.378 ( 0.000 -5.610 0.686) 5.652 2.459 ( -0.000 2.441 1.818) 3.043 2.489 ( 0.000 -5.681 -2.847) 6.354 2.508 ( -0.000 0.323 1.617) 1.649 2.565 ( -0.000 1.246 0.114) 1.251 2.643 ( 0.000 -0.003 1.845) 1.845 2.660 ( 0.000 -2.913 -5.855) 6.540 2.680 ( 0.000 -0.002 -3.831) 3.831 2.736 ( -0.000 3.359 1.963) 3.891 2.772 ( 0.000 -2.275 1.514) 2.733 2.793 ( 0.000 -1.729 -3.964) 4.325 2.810 ( 0.000 -2.280 -1.945) 2.997 2.874 ( -0.000 1.718 1.581) 2.335 2.938 ( 0.000 -5.081 -3.471) 6.153 2.969 ( 0.000 -2.138 1.052) 2.383 2.982 ( 0.000 -0.339 -1.665) 1.699 3.002 ( 0.000 -2.940 3.939) 4.915 3.024 ( 0.000 -3.618 1.040) 3.764 3.064 ( -0.000 0.793 -2.139) 2.282 3.070 ( 0.000 -1.660 -1.081) 1.981 3.159 ( -0.000 0.707 -2.177) 2.289 3.170 ( 0.000 -1.614 0.251) 1.634 3.174 ( -0.000 2.498 4.978) 5.570 3.253 ( 0.000 -0.669 -1.350) 1.507 3.255 ( -0.000 2.253 -0.902) 2.427 3.326 ( -0.000 1.414 -1.766) 2.262 3.370 ( -0.000 3.032 -2.924) 4.213 3.434 ( -0.000 2.180 3.704) 4.297 3.435 ( 0.000 -1.978 2.992) 3.586 3.471 ( 0.000 -2.529 4.442) 5.111 3.506 ( 0.000 -0.155 2.869) 2.873 3.548 ( 0.000 -3.274 0.129) 3.277 3.587 ( 0.000 -3.460 0.134) 3.462 3.672 ( 0.000 -6.194 -2.743) 6.774 3.677 ( 0.000 -2.470 -2.725) 3.678 3.741 ( 0.000 -3.747 -0.382) 3.766 3.781 ( 0.000 -2.548 -0.832) 2.680 3.817 ( 0.000 -1.458 1.256) 1.924 3.844 ( -0.000 0.791 -0.139) 0.803 3.865 ( -0.000 0.368 1.179) 1.235 3.913 ( 0.000 -0.402 0.677) 0.788 4.191 ( 0.000 -0.434 0.371) 0.571 4.217 ( 0.000 -1.101 -0.119) 1.107 4.637 ( -0.000 0.490 0.307) 0.579 4.651 ( -0.000 0.326 -0.266) 0.421 7.932 ( 0.000 -0.802 0.462) 0.925 7.948 ( 0.000 -0.614 -0.255) 0.665 8.290 ( -0.000 1.341 3.968) 4.189 8.490 ( -0.000 3.442 -4.919) 6.004 8.607 ( 0.000 -0.302 1.769) 1.795 8.626 ( 0.000 -0.066 4.190) 4.190 8.665 ( 0.000 -0.964 -0.432) 1.057 8.804 ( 0.000 -0.226 -3.676) 3.683 8.970 ( 0.000 -0.363 1.358) 1.406 9.035 ( -0.000 1.358 -0.823) 1.588 9.065 ( 0.000 -1.573 -0.223) 1.588 9.087 ( 0.000 -1.076 -1.235) 1.637 ======================= Grid point 108 (42/63) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -0.000 -0.000 8.260) 8.260 0.950 ( -0.000 -0.000 14.996) 14.996 0.962 ( 0.000 0.000 5.258) 5.258 0.963 ( 0.000 0.000 15.466) 15.466 1.190 ( -0.000 -0.000 -2.622) 2.622 1.229 ( 0.000 0.000 -3.254) 3.254 1.353 ( 0.000 0.000 7.268) 7.268 1.464 ( 0.000 0.000 -6.051) 6.051 1.520 ( -0.000 -0.000 -7.551) 7.551 1.553 ( 0.000 0.000 4.419) 4.419 1.554 ( 0.000 0.000 -1.330) 1.330 1.588 ( 0.000 0.000 -3.569) 3.569 1.625 ( 0.000 0.000 -0.857) 0.857 1.708 ( 0.000 0.000 1.165) 1.165 1.729 ( 0.000 0.000 1.520) 1.520 1.784 ( 0.000 0.000 -10.204) 10.204 1.844 ( -0.000 -0.000 5.067) 5.067 1.848 ( 0.000 0.000 4.727) 4.727 1.854 ( 0.000 0.000 1.567) 1.567 1.865 ( 0.000 0.000 -1.763) 1.763 2.047 ( 0.000 0.000 -14.016) 14.016 2.133 ( 0.000 0.000 -5.842) 5.842 2.159 ( 0.000 0.000 3.362) 3.362 2.201 ( 0.000 0.000 1.900) 1.900 2.216 ( -0.000 -0.000 1.801) 1.801 2.257 ( 0.000 0.000 -0.991) 0.991 2.344 ( 0.000 0.000 0.557) 0.557 2.373 ( 0.000 0.000 -0.304) 0.304 2.402 ( 0.000 0.000 -8.960) 8.960 2.402 ( -0.000 -0.000 -1.658) 1.658 2.476 ( 0.000 0.000 4.323) 4.323 2.567 ( 0.000 0.000 -5.097) 5.097 2.599 ( 0.000 0.000 -3.894) 3.894 2.640 ( 0.000 0.000 -1.755) 1.755 2.713 ( 0.000 0.000 1.198) 1.198 2.731 ( -0.000 -0.000 0.171) 0.171 2.738 ( 0.000 0.000 0.947) 0.947 2.766 ( 0.000 0.000 -2.545) 2.545 2.793 ( 0.000 0.000 4.615) 4.615 2.849 ( 0.000 0.000 4.670) 4.670 2.897 ( 0.000 0.000 0.389) 0.389 2.920 ( 0.000 0.000 4.471) 4.471 2.938 ( 0.000 0.000 2.693) 2.693 3.000 ( 0.000 0.000 -0.385) 0.385 3.007 ( 0.000 0.000 2.472) 2.472 3.086 ( 0.000 0.000 -3.176) 3.176 3.148 ( -0.000 -0.000 -6.635) 6.635 3.159 ( 0.000 0.000 -5.446) 5.446 3.174 ( 0.000 0.000 3.438) 3.438 3.211 ( 0.000 0.000 2.094) 2.094 3.251 ( 0.000 0.000 3.527) 3.527 3.283 ( 0.000 0.000 2.232) 2.232 3.320 ( 0.000 0.000 1.819) 1.819 3.331 ( 0.000 0.000 1.353) 1.353 3.358 ( 0.000 0.000 -0.715) 0.715 3.412 ( -0.000 -0.000 4.383) 4.383 3.433 ( 0.000 0.000 -1.668) 1.668 3.447 ( 0.000 0.000 1.077) 1.077 3.468 ( 0.000 0.000 0.617) 0.617 3.564 ( -0.000 -0.000 -3.387) 3.387 3.597 ( 0.000 0.000 -0.869) 0.869 3.598 ( 0.000 0.000 -3.762) 3.762 3.636 ( 0.000 0.000 -0.062) 0.062 3.665 ( 0.000 0.000 -1.380) 1.380 3.781 ( 0.000 0.000 2.372) 2.372 3.858 ( 0.000 0.000 -1.245) 1.245 3.873 ( 0.000 0.000 1.794) 1.794 3.954 ( -0.000 -0.000 -0.441) 0.441 4.176 ( 0.000 0.000 -0.384) 0.384 4.179 ( 0.000 0.000 -0.225) 0.225 4.638 ( 0.000 0.000 0.830) 0.830 4.651 ( 0.000 0.000 0.150) 0.150 7.913 ( 0.000 0.000 0.557) 0.557 7.931 ( 0.000 0.000 -0.250) 0.250 8.328 ( 0.000 0.000 5.070) 5.070 8.487 ( 0.000 0.000 1.227) 1.227 8.599 ( 0.000 0.000 1.795) 1.795 8.650 ( 0.000 0.000 -0.008) 0.008 8.722 ( 0.000 0.000 -4.337) 4.337 8.781 ( 0.000 0.000 -3.604) 3.604 8.969 ( 0.000 0.000 1.704) 1.704 9.017 ( 0.000 0.000 -0.392) 0.392 9.048 ( 0.000 0.000 -0.218) 0.218 9.090 ( 0.000 0.000 -2.184) 2.184 ======================= Grid point 138 (43/63) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( 0.000 0.000 -13.113) 13.113 0.594 ( 0.000 0.000 13.113) 13.113 0.656 ( 0.000 0.000 -14.023) 14.023 0.656 ( 0.000 0.000 14.023) 14.023 1.257 ( 0.000 0.000 -1.795) 1.795 1.257 ( 0.000 0.000 1.795) 1.795 1.385 ( 0.000 0.000 -22.281) 22.281 1.385 ( 0.000 0.000 22.281) 22.281 1.438 ( 0.000 0.000 -14.659) 14.659 1.438 ( 0.000 0.000 14.659) 14.659 1.459 ( 0.000 0.000 -6.266) 6.266 1.459 ( 0.000 0.000 6.266) 6.266 1.613 ( 0.000 0.000 -4.461) 4.461 1.613 ( 0.000 0.000 4.461) 4.461 1.815 ( 0.000 0.000 -6.054) 6.054 1.815 ( 0.000 0.000 6.054) 6.054 1.845 ( 0.000 0.000 -4.596) 4.596 1.845 ( 0.000 0.000 4.596) 4.596 1.960 ( 0.000 0.000 -0.972) 0.972 1.960 ( 0.000 0.000 0.972) 0.972 2.035 ( 0.000 0.000 -4.005) 4.005 2.035 ( 0.000 0.000 4.005) 4.005 2.139 ( 0.000 0.000 -4.437) 4.437 2.139 ( 0.000 0.000 4.437) 4.437 2.310 ( 0.000 0.000 -3.143) 3.143 2.310 ( 0.000 0.000 3.143) 3.143 2.373 ( 0.000 0.000 -4.938) 4.938 2.373 ( 0.000 0.000 4.938) 4.938 2.409 ( 0.000 0.000 -0.029) 0.029 2.409 ( 0.000 0.000 0.029) 0.029 2.596 ( 0.000 0.000 -1.278) 1.278 2.596 ( 0.000 0.000 1.278) 1.278 2.631 ( 0.000 0.000 -4.707) 4.707 2.631 ( 0.000 0.000 4.707) 4.707 2.679 ( 0.000 0.000 -5.757) 5.757 2.679 ( 0.000 0.000 5.757) 5.757 2.913 ( 0.000 0.000 -7.067) 7.067 2.913 ( 0.000 0.000 7.067) 7.067 2.991 ( 0.000 0.000 -6.790) 6.790 2.991 ( 0.000 0.000 6.790) 6.790 3.001 ( 0.000 0.000 -1.759) 1.759 3.001 ( 0.000 0.000 1.759) 1.759 3.022 ( 0.000 0.000 -3.518) 3.518 3.022 ( 0.000 0.000 3.518) 3.518 3.054 ( 0.000 0.000 -1.681) 1.681 3.054 ( 0.000 0.000 1.681) 1.681 3.151 ( 0.000 0.000 -0.685) 0.685 3.151 ( 0.000 0.000 0.685) 0.685 3.243 ( 0.000 0.000 -3.718) 3.718 3.243 ( 0.000 0.000 3.718) 3.718 3.294 ( 0.000 0.000 -6.227) 6.227 3.294 ( 0.000 0.000 6.227) 6.227 3.319 ( 0.000 0.000 -2.371) 2.371 3.319 ( 0.000 0.000 2.371) 2.371 3.351 ( 0.000 0.000 -2.305) 2.305 3.351 ( 0.000 0.000 2.305) 2.305 3.384 ( 0.000 0.000 -1.341) 1.341 3.384 ( 0.000 0.000 1.341) 1.341 3.401 ( 0.000 0.000 -0.660) 0.660 3.401 ( 0.000 0.000 0.660) 0.660 3.418 ( 0.000 0.000 -4.075) 4.075 3.418 ( 0.000 0.000 4.075) 4.075 3.620 ( 0.000 0.000 -0.071) 0.071 3.620 ( 0.000 0.000 0.071) 0.071 3.737 ( 0.000 0.000 -1.995) 1.995 3.737 ( 0.000 0.000 1.995) 1.995 3.960 ( 0.000 0.000 -10.835) 10.835 3.960 ( 0.000 0.000 10.835) 10.835 4.189 ( 0.000 0.000 -0.777) 0.777 4.189 ( 0.000 0.000 0.777) 0.777 4.562 ( 0.000 0.000 -0.622) 0.622 4.562 ( 0.000 0.000 0.622) 0.622 7.909 ( 0.000 0.000 -0.478) 0.478 7.909 ( 0.000 0.000 0.478) 0.478 8.329 ( 0.000 0.000 -3.929) 3.929 8.329 ( 0.000 0.000 3.929) 3.929 8.518 ( 0.000 0.000 -1.482) 1.482 8.518 ( 0.000 0.000 1.482) 1.482 8.777 ( 0.000 0.000 -1.601) 1.601 8.777 ( 0.000 0.000 1.601) 1.601 9.028 ( 0.000 0.000 -3.292) 3.292 9.028 ( 0.000 0.000 3.292) 3.292 9.135 ( 0.000 0.000 -0.563) 0.563 9.135 ( 0.000 0.000 0.563) 0.563 ======================= Grid point 140 (44/63) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 4.899 -8.678 -11.169) 14.968 0.703 ( 4.899 -8.678 11.169) 14.968 0.828 ( 4.220 -13.687 -11.377) 18.292 0.828 ( 4.220 -13.687 11.377) 18.292 1.287 ( 0.229 -3.046 -3.880) 4.938 1.287 ( 0.229 -3.046 3.880) 4.938 1.371 ( 0.837 -2.605 -8.968) 9.376 1.371 ( 0.837 -2.605 8.968) 9.376 1.500 ( -1.682 -5.206 -3.969) 6.759 1.500 ( -1.682 -5.206 3.969) 6.759 1.562 ( 3.504 -6.195 -13.288) 15.074 1.562 ( 3.504 -6.195 13.288) 15.074 1.638 ( -0.692 -4.117 -1.009) 4.295 1.638 ( -0.692 -4.117 1.009) 4.295 1.817 ( -3.157 -0.534 -1.748) 3.648 1.817 ( -3.157 -0.534 1.748) 3.648 1.850 ( 1.048 -1.834 -3.675) 4.239 1.850 ( 1.048 -1.834 3.675) 4.239 1.969 ( -1.384 -1.478 -0.728) 2.152 1.969 ( -1.384 -1.478 0.728) 2.152 2.042 ( 0.375 -0.187 -3.786) 3.809 2.042 ( 0.375 -0.187 3.786) 3.809 2.149 ( 0.983 -0.599 -2.937) 3.155 2.149 ( 0.983 -0.599 2.937) 3.155 2.301 ( -0.075 0.795 -2.559) 2.680 2.301 ( -0.075 0.795 2.559) 2.680 2.351 ( -1.307 1.336 -5.610) 5.914 2.351 ( -1.307 1.336 5.610) 5.914 2.434 ( 0.885 -2.173 -0.780) 2.473 2.434 ( 0.885 -2.173 0.780) 2.473 2.597 ( 0.306 -0.150 -1.762) 1.794 2.597 ( 0.306 -0.150 1.762) 1.794 2.631 ( -5.298 -1.263 -0.363) 5.459 2.631 ( -5.298 -1.263 0.363) 5.459 2.701 ( 5.321 -0.808 -1.816) 5.680 2.701 ( 5.321 -0.808 1.816) 5.680 2.832 ( -0.671 6.370 -4.390) 7.766 2.832 ( -0.671 6.370 4.390) 7.766 2.937 ( -2.743 3.335 -4.758) 6.425 2.937 ( -2.743 3.335 4.758) 6.425 2.993 ( -0.768 1.491 -0.863) 1.887 2.993 ( -0.768 1.491 0.863) 1.887 3.032 ( -2.042 -1.906 -3.110) 4.180 3.032 ( -2.042 -1.906 3.110) 4.180 3.075 ( -1.003 -1.977 -1.865) 2.897 3.075 ( -1.003 -1.977 1.865) 2.897 3.173 ( 0.272 -1.052 -3.949) 4.096 3.173 ( 0.272 -1.052 3.949) 4.096 3.232 ( -2.260 0.079 -2.115) 3.096 3.232 ( -2.260 0.079 2.115) 3.096 3.264 ( -0.175 2.613 -5.084) 5.719 3.264 ( -0.175 2.613 5.084) 5.719 3.322 ( 2.650 0.617 -1.711) 3.214 3.322 ( 2.650 0.617 1.711) 3.214 3.363 ( 1.730 -1.733 -0.629) 2.528 3.363 ( 1.730 -1.733 0.629) 2.528 3.424 ( 0.165 -4.167 -1.510) 4.435 3.424 ( 0.165 -4.167 1.510) 4.435 3.480 ( 1.355 -6.035 -1.908) 6.472 3.480 ( 1.355 -6.035 1.908) 6.472 3.518 ( 1.757 -7.700 -4.718) 9.200 3.518 ( 1.757 -7.700 4.718) 9.200 3.621 ( -0.707 -0.362 -0.606) 0.999 3.621 ( -0.707 -0.362 0.606) 0.999 3.726 ( 0.849 0.272 -2.122) 2.301 3.726 ( 0.849 0.272 2.122) 2.301 3.960 ( -1.067 0.488 -9.761) 9.831 3.960 ( -1.067 0.488 9.761) 9.831 4.195 ( 0.681 -0.286 -0.599) 0.951 4.195 ( 0.681 -0.286 0.599) 0.951 4.575 ( 0.943 -0.905 -0.306) 1.343 4.575 ( 0.943 -0.905 0.306) 1.343 7.916 ( 0.143 -0.718 -0.454) 0.862 7.916 ( 0.143 -0.718 0.454) 0.862 8.327 ( 1.551 0.746 -3.830) 4.199 8.327 ( 1.551 0.746 3.830) 4.199 8.542 ( 0.723 -2.344 -1.161) 2.714 8.542 ( 0.723 -2.344 1.161) 2.714 8.774 ( -0.145 0.427 -3.414) 3.443 8.774 ( -0.145 0.427 3.414) 3.443 9.025 ( -0.216 0.301 -2.972) 2.995 9.025 ( -0.216 0.301 2.972) 2.995 9.116 ( -1.129 1.113 -1.086) 1.921 9.116 ( -1.129 1.113 1.086) 1.921 ======================= Grid point 142 (45/63) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 5.492 -11.225 -7.879) 14.773 0.926 ( 5.492 -11.225 7.879) 14.773 1.081 ( 3.039 -10.764 -11.666) 16.161 1.081 ( 3.039 -10.764 11.666) 16.161 1.361 ( -0.521 -4.885 -4.750) 6.834 1.361 ( -0.521 -4.885 4.750) 6.834 1.484 ( 0.359 -6.841 -2.773) 7.391 1.484 ( 0.359 -6.841 2.773) 7.391 1.604 ( -1.312 -6.166 -2.862) 6.923 1.604 ( -1.312 -6.166 2.862) 6.923 1.641 ( 0.290 -3.178 -2.763) 4.221 1.641 ( 0.290 -3.178 2.763) 4.221 1.785 ( 2.446 -7.648 -6.280) 10.194 1.785 ( 2.446 -7.648 6.280) 10.194 1.827 ( -2.131 -2.153 -0.177) 3.035 1.827 ( -2.131 -2.153 0.177) 3.035 1.897 ( 0.090 -3.391 -0.341) 3.409 1.897 ( 0.090 -3.391 0.341) 3.409 1.999 ( -0.070 -2.237 -1.547) 2.721 1.999 ( -0.070 -2.237 1.547) 2.721 2.035 ( -2.181 -0.028 -2.632) 3.418 2.035 ( -2.181 -0.028 2.632) 3.418 2.164 ( 0.651 -0.391 -2.926) 3.023 2.164 ( 0.651 -0.391 2.926) 3.023 2.289 ( -0.555 0.117 -1.953) 2.034 2.289 ( -0.555 0.117 1.953) 2.034 2.342 ( 1.612 -0.777 -5.349) 5.641 2.342 ( 1.612 -0.777 5.349) 5.641 2.479 ( 0.612 -1.230 -1.591) 2.102 2.479 ( 0.612 -1.230 1.591) 2.102 2.594 ( -1.762 1.292 -3.924) 4.491 2.594 ( -1.762 1.292 3.924) 4.491 2.615 ( 0.308 -0.283 -2.117) 2.158 2.615 ( 0.308 -0.283 2.117) 2.158 2.717 ( -0.340 1.666 -2.580) 3.090 2.717 ( -0.340 1.666 2.580) 3.090 2.779 ( 2.278 -1.108 -2.570) 3.609 2.779 ( 2.278 -1.108 2.570) 3.609 2.876 ( -1.829 0.906 -3.973) 4.466 2.876 ( -1.829 0.906 3.973) 4.466 2.959 ( -1.178 0.943 -2.749) 3.136 2.959 ( -1.178 0.943 2.749) 3.136 3.042 ( -3.841 -1.737 -3.192) 5.287 3.042 ( -3.841 -1.737 3.192) 5.287 3.104 ( -0.137 -0.964 -2.423) 2.611 3.104 ( -0.137 -0.964 2.423) 2.611 3.171 ( -1.890 0.158 -2.837) 3.412 3.171 ( -1.890 0.158 2.837) 3.412 3.204 ( 0.210 2.943 -0.825) 3.063 3.204 ( 0.210 2.943 0.825) 3.063 3.235 ( -0.670 -0.045 -2.049) 2.156 3.235 ( -0.670 -0.045 2.049) 2.156 3.325 ( 0.807 0.473 -0.963) 1.343 3.325 ( 0.807 0.473 0.963) 1.343 3.417 ( 2.596 -2.164 -0.836) 3.482 3.417 ( 2.596 -2.164 0.836) 3.482 3.518 ( 0.225 -4.928 -0.808) 4.999 3.518 ( 0.225 -4.928 0.808) 4.999 3.582 ( -1.140 -4.078 -2.608) 4.973 3.582 ( -1.140 -4.078 2.608) 4.973 3.624 ( 1.218 -2.387 -1.677) 3.161 3.624 ( 1.218 -2.387 1.677) 3.161 3.676 ( 1.621 -5.524 -2.980) 6.482 3.676 ( 1.621 -5.524 2.980) 6.482 3.754 ( 1.944 -2.324 -1.724) 3.486 3.754 ( 1.944 -2.324 1.724) 3.486 3.929 ( -1.197 1.348 -7.624) 7.834 3.929 ( -1.197 1.348 7.624) 7.834 4.205 ( 0.766 -0.276 -0.655) 1.045 4.205 ( 0.766 -0.276 0.655) 1.045 4.595 ( 1.199 -0.355 -0.177) 1.263 4.595 ( 1.199 -0.355 0.177) 1.263 7.933 ( 0.195 -0.931 -0.368) 1.020 7.933 ( 0.195 -0.931 0.368) 1.020 8.319 ( 1.860 1.256 -3.128) 3.851 8.319 ( 1.860 1.256 3.128) 3.851 8.603 ( 0.726 -3.467 -0.203) 3.548 8.603 ( 0.726 -3.467 0.203) 3.548 8.755 ( -0.436 1.397 -4.213) 4.460 8.755 ( -0.436 1.397 4.213) 4.460 9.014 ( -0.288 0.640 -2.637) 2.729 9.014 ( -0.288 0.640 2.637) 2.729 9.098 ( -0.997 0.008 -0.846) 1.308 9.098 ( -0.997 0.008 0.846) 1.308 ======================= Grid point 144 (46/63) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 5.216 -8.827 -5.520) 11.645 1.149 ( 5.216 -8.827 5.520) 11.645 1.270 ( 1.200 -8.203 -8.542) 11.904 1.270 ( 1.200 -8.203 8.542) 11.904 1.442 ( -0.977 -4.100 -4.470) 6.143 1.442 ( -0.977 -4.100 4.470) 6.143 1.569 ( -0.895 -2.075 -6.093) 6.498 1.569 ( -0.895 -2.075 6.093) 6.498 1.653 ( -2.045 -1.684 -1.794) 3.200 1.653 ( -2.045 -1.684 1.794) 3.200 1.727 ( -0.446 -5.094 -2.871) 5.864 1.727 ( -0.446 -5.094 2.871) 5.864 1.800 ( -0.828 3.665 -2.602) 4.570 1.800 ( -0.828 3.665 2.602) 4.570 1.865 ( -0.873 -2.437 -1.624) 3.056 1.865 ( -0.873 -2.437 1.624) 3.056 1.952 ( 0.242 0.191 -2.005) 2.029 1.952 ( 0.242 0.191 2.005) 2.029 2.021 ( -1.463 0.766 -2.986) 3.412 2.021 ( -1.463 0.766 2.986) 3.412 2.107 ( 2.499 -6.634 -4.692) 8.501 2.107 ( 2.499 -6.634 4.692) 8.501 2.181 ( -1.718 -2.602 -0.625) 3.180 2.181 ( -1.718 -2.602 0.625) 3.180 2.282 ( 0.138 1.116 -4.823) 4.952 2.282 ( 0.138 1.116 4.823) 4.952 2.395 ( 2.068 -3.625 -1.883) 4.578 2.395 ( 2.068 -3.625 1.883) 4.578 2.468 ( 0.139 0.754 -2.092) 2.229 2.468 ( 0.139 0.754 2.092) 2.229 2.577 ( 3.031 0.783 -2.495) 4.003 2.577 ( 3.031 0.783 2.495) 4.003 2.637 ( 0.668 -0.777 -2.398) 2.608 2.637 ( 0.668 -0.777 2.398) 2.608 2.694 ( -2.460 0.588 -3.405) 4.241 2.694 ( -2.460 0.588 3.405) 4.241 2.806 ( 0.270 -0.988 -1.471) 1.793 2.806 ( 0.270 -0.988 1.471) 1.793 2.888 ( 1.055 -1.624 -2.314) 3.018 2.888 ( 1.055 -1.624 2.314) 3.018 2.964 ( -1.892 -2.758 -4.184) 5.357 2.964 ( -1.892 -2.758 4.184) 5.357 3.062 ( -0.857 -1.481 -2.484) 3.016 3.062 ( -0.857 -1.481 2.484) 3.016 3.100 ( -0.459 0.686 -3.037) 3.147 3.100 ( -0.459 0.686 3.037) 3.147 3.139 ( 0.595 3.144 -1.088) 3.380 3.139 ( 0.595 3.144 1.088) 3.380 3.173 ( -1.495 -0.392 -1.111) 1.903 3.173 ( -1.495 -0.392 1.111) 1.903 3.217 ( -1.985 1.468 -1.090) 2.699 3.217 ( -1.985 1.468 1.090) 2.699 3.318 ( 0.626 0.416 -0.648) 0.992 3.318 ( 0.626 0.416 0.648) 0.992 3.461 ( 1.334 -1.219 -0.996) 2.063 3.461 ( 1.334 -1.219 0.996) 2.063 3.548 ( -1.580 1.616 -0.727) 2.374 3.548 ( -1.580 1.616 0.727) 2.374 3.629 ( -0.935 -2.851 -0.960) 3.151 3.629 ( -0.935 -2.851 0.960) 3.151 3.693 ( 2.196 -3.673 -1.889) 4.678 3.693 ( 2.196 -3.673 1.889) 4.678 3.765 ( 2.157 -2.672 -2.340) 4.156 3.765 ( 2.157 -2.672 2.340) 4.156 3.817 ( -0.085 -3.170 -1.274) 3.418 3.817 ( -0.085 -3.170 1.274) 3.418 3.910 ( -0.399 0.493 -5.174) 5.213 3.910 ( -0.399 0.493 5.174) 5.213 4.213 ( 0.628 -0.114 -0.526) 0.828 4.213 ( 0.628 -0.114 0.526) 0.828 4.602 ( 0.844 0.177 -0.168) 0.879 4.602 ( 0.844 0.177 0.168) 0.879 7.949 ( 0.132 -0.610 -0.209) 0.658 7.949 ( 0.132 -0.610 0.209) 0.658 8.307 ( 1.155 0.974 -1.745) 2.309 8.307 ( 1.155 0.974 1.745) 2.309 8.664 ( -0.144 -2.731 -1.515) 3.126 8.664 ( -0.144 -2.731 1.515) 3.126 8.725 ( 0.074 1.529 -3.936) 4.224 8.725 ( 0.074 1.529 3.936) 4.224 9.003 ( -0.047 0.376 -1.634) 1.677 9.003 ( -0.047 0.376 1.634) 1.677 9.099 ( -0.576 -0.397 -0.339) 0.777 9.099 ( -0.576 -0.397 0.339) 0.777 ======================= Grid point 146 (47/63) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 0.000 -0.000 -0.000) 0.000 1.267 ( 0.000 -0.000 0.000) 0.000 1.347 ( 0.000 -0.000 -0.000) 0.000 1.347 ( 0.000 -0.000 0.000) 0.000 1.500 ( 0.000 -0.000 -0.000) 0.000 1.500 ( 0.000 -0.000 -0.000) 0.000 1.552 ( 0.000 -0.000 0.000) 0.000 1.552 ( -0.000 -0.000 0.000) 0.000 1.673 ( 0.000 -0.000 0.000) 0.000 1.673 ( 0.000 -0.000 0.000) 0.000 1.740 ( -0.000 -0.000 -0.000) 0.000 1.740 ( 0.000 -0.000 0.000) 0.000 1.789 ( -0.000 0.000 -0.000) 0.000 1.789 ( -0.000 -0.000 0.000) 0.000 1.875 ( 0.000 -0.000 -0.000) 0.000 1.875 ( 0.000 -0.000 0.000) 0.000 1.958 ( 0.000 -0.000 0.000) 0.000 1.958 ( -0.000 -0.000 0.000) 0.000 1.991 ( -0.000 -0.000 -0.000) 0.000 1.991 ( 0.000 -0.000 0.000) 0.000 2.152 ( 0.000 -0.000 -0.000) 0.000 2.152 ( 0.000 -0.000 0.000) 0.000 2.231 ( 0.000 0.000 -0.000) 0.000 2.231 ( 0.000 0.000 0.000) 0.000 2.266 ( -0.000 -0.000 -0.000) 0.000 2.266 ( 0.000 -0.000 0.000) 0.000 2.418 ( -0.000 -0.000 -0.000) 0.000 2.418 ( 0.000 -0.000 0.000) 0.000 2.518 ( 0.000 0.000 -0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.569 ( -0.000 -0.000 -0.000) 0.000 2.569 ( -0.000 -0.000 0.000) 0.000 2.653 ( 0.000 -0.000 0.000) 0.000 2.653 ( 0.000 -0.000 0.000) 0.000 2.661 ( -0.000 -0.000 -0.000) 0.000 2.661 ( 0.000 -0.000 -0.000) 0.000 2.819 ( 0.000 -0.000 -0.000) 0.000 2.819 ( 0.000 -0.000 0.000) 0.000 2.913 ( -0.000 -0.000 -0.000) 0.000 2.913 ( -0.000 -0.000 0.000) 0.000 3.024 ( -0.000 -0.000 -0.000) 0.000 3.024 ( -0.000 -0.000 0.000) 0.000 3.028 ( 0.000 -0.000 -0.000) 0.000 3.028 ( 0.000 0.000 0.000) 0.000 3.099 ( 0.000 -0.000 0.000) 0.000 3.099 ( 0.000 -0.000 0.000) 0.000 3.125 ( -0.000 -0.000 -0.000) 0.000 3.125 ( 0.000 -0.000 0.000) 0.000 3.162 ( -0.000 -0.000 0.000) 0.000 3.162 ( -0.000 -0.000 0.000) 0.000 3.185 ( 0.000 -0.000 -0.000) 0.000 3.185 ( 0.000 -0.000 0.000) 0.000 3.319 ( -0.000 -0.000 0.000) 0.000 3.319 ( 0.000 -0.000 0.000) 0.000 3.475 ( 0.000 -0.000 0.000) 0.000 3.475 ( 0.000 -0.000 0.000) 0.000 3.516 ( 0.000 -0.000 0.000) 0.000 3.516 ( 0.000 -0.000 0.000) 0.000 3.657 ( -0.000 -0.000 -0.000) 0.000 3.657 ( 0.000 -0.000 0.000) 0.000 3.742 ( 0.000 -0.000 -0.000) 0.000 3.742 ( 0.000 -0.000 0.000) 0.000 3.794 ( -0.000 -0.000 0.000) 0.000 3.794 ( -0.000 -0.000 0.000) 0.000 3.852 ( -0.000 -0.000 0.000) 0.000 3.852 ( 0.000 -0.000 0.000) 0.000 3.900 ( -0.000 -0.000 0.000) 0.000 3.900 ( 0.000 -0.000 0.000) 0.000 4.216 ( 0.000 -0.000 0.000) 0.000 4.216 ( 0.000 -0.000 0.000) 0.000 4.603 ( 0.000 -0.000 0.000) 0.000 4.603 ( 0.000 -0.000 0.000) 0.000 7.955 ( 0.000 -0.000 0.000) 0.000 7.955 ( 0.000 -0.000 0.000) 0.000 8.301 ( 0.000 -0.000 0.000) 0.000 8.301 ( 0.000 -0.000 0.000) 0.000 8.692 ( 0.000 -0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 8.709 ( -0.000 -0.000 -0.000) 0.000 8.709 ( 0.000 -0.000 0.000) 0.000 9.000 ( 0.000 -0.000 0.000) 0.000 9.000 ( -0.000 -0.000 0.000) 0.000 9.101 ( 0.000 -0.000 0.000) 0.000 9.101 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 158 (48/63) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 6.081 0.000 -13.100) 14.443 0.694 ( 6.081 0.000 13.100) 14.443 0.710 ( 16.711 0.000 -10.923) 19.965 0.710 ( 16.711 0.000 10.923) 19.965 1.261 ( 0.579 0.000 -0.176) 0.605 1.261 ( 0.579 0.000 0.176) 0.605 1.370 ( -2.710 -0.000 -17.110) 17.324 1.370 ( -2.710 -0.000 17.110) 17.324 1.440 ( 2.589 0.000 -3.162) 4.087 1.440 ( 2.589 0.000 3.162) 4.087 1.503 ( 4.418 0.000 -20.942) 21.403 1.503 ( 4.418 0.000 20.942) 21.403 1.604 ( -0.942 -0.000 -4.922) 5.012 1.604 ( -0.942 -0.000 4.922) 5.012 1.789 ( -3.242 -0.000 -4.135) 5.255 1.789 ( -3.242 -0.000 4.135) 5.255 1.836 ( -1.917 -0.000 -5.561) 5.882 1.836 ( -1.917 -0.000 5.561) 5.882 1.943 ( -2.238 -0.000 -1.047) 2.471 1.943 ( -2.238 -0.000 1.047) 2.471 2.054 ( 2.507 0.000 -4.913) 5.515 2.054 ( 2.507 0.000 4.913) 5.515 2.146 ( 0.759 0.000 -4.006) 4.078 2.146 ( 0.759 0.000 4.006) 4.078 2.306 ( -0.967 -0.000 -1.968) 2.193 2.306 ( -0.967 -0.000 1.968) 2.193 2.351 ( -2.104 -0.000 -3.012) 3.674 2.351 ( -2.104 -0.000 3.012) 3.674 2.414 ( -0.471 -0.000 -0.956) 1.066 2.414 ( -0.471 -0.000 0.956) 1.066 2.594 ( -2.704 -0.000 -0.339) 2.725 2.594 ( -2.704 -0.000 0.339) 2.725 2.597 ( 0.148 0.000 -1.907) 1.913 2.597 ( 0.148 0.000 1.907) 1.913 2.726 ( 4.611 0.000 -1.001) 4.718 2.726 ( 4.611 0.000 1.001) 4.718 2.892 ( -4.728 -0.000 -4.074) 6.241 2.892 ( -4.728 -0.000 4.074) 6.241 2.943 ( -5.676 -0.000 -1.545) 5.883 2.943 ( -5.676 -0.000 1.545) 5.883 2.985 ( -1.587 -0.000 -5.759) 5.973 2.985 ( -1.587 -0.000 5.759) 5.973 3.014 ( -1.163 -0.000 -3.990) 4.156 3.014 ( -1.163 -0.000 3.990) 4.156 3.044 ( -0.257 -0.000 -0.846) 0.884 3.044 ( -0.257 -0.000 0.846) 0.884 3.159 ( -2.240 -0.000 -1.240) 2.560 3.159 ( -2.240 -0.000 1.240) 2.560 3.223 ( -0.650 -0.000 -4.311) 4.360 3.223 ( -0.650 -0.000 4.311) 4.360 3.295 ( 0.988 0.000 -4.460) 4.568 3.295 ( 0.988 0.000 4.460) 4.568 3.339 ( 2.042 0.000 -1.682) 2.645 3.339 ( 2.042 0.000 1.682) 2.645 3.360 ( -0.120 -0.000 -1.265) 1.270 3.360 ( -0.120 -0.000 1.265) 1.270 3.396 ( 0.917 0.000 -1.392) 1.667 3.396 ( 0.917 0.000 1.392) 1.667 3.403 ( 1.596 0.000 -1.320) 2.071 3.403 ( 1.596 0.000 1.320) 2.071 3.472 ( 8.001 0.000 -2.411) 8.357 3.472 ( 8.001 0.000 2.411) 8.357 3.621 ( 0.504 0.000 -0.537) 0.736 3.621 ( 0.504 0.000 0.537) 0.736 3.729 ( -1.197 -0.000 -1.964) 2.300 3.729 ( -1.197 -0.000 1.964) 2.300 3.951 ( -1.151 -0.000 -8.652) 8.728 3.951 ( -1.151 -0.000 8.652) 8.728 4.198 ( 0.912 0.000 -0.220) 0.938 4.198 ( 0.912 0.000 0.220) 0.938 4.575 ( 2.031 0.000 -0.459) 2.082 4.575 ( 2.031 0.000 0.459) 2.082 7.911 ( 0.304 0.000 -0.493) 0.579 7.911 ( 0.304 0.000 0.493) 0.579 8.350 ( 3.105 0.000 -4.813) 5.728 8.350 ( 3.105 0.000 4.813) 5.728 8.528 ( 1.733 0.000 -1.410) 2.234 8.528 ( 1.733 0.000 1.410) 2.234 8.776 ( -0.290 -0.000 -1.411) 1.441 8.776 ( -0.290 -0.000 1.411) 1.441 9.026 ( -0.372 -0.000 -3.178) 3.199 9.026 ( -0.372 -0.000 3.178) 3.199 9.117 ( -2.631 -0.000 -0.800) 2.750 9.117 ( -2.631 -0.000 0.800) 2.750 ======================= Grid point 160 (49/63) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 8.857 -6.884 -8.788) 14.250 0.795 ( 8.857 -6.884 8.788) 14.250 0.932 ( 12.025 -9.183 -11.652) 19.097 0.932 ( 12.025 -9.183 11.652) 19.097 1.288 ( -0.485 -2.422 -4.257) 4.921 1.288 ( -0.485 -2.422 4.257) 4.921 1.382 ( 0.506 -4.118 -8.149) 9.144 1.382 ( 0.506 -4.118 8.149) 9.144 1.494 ( 1.090 -4.287 -2.517) 5.089 1.494 ( 1.090 -4.287 2.517) 5.089 1.595 ( -0.326 -3.034 -2.794) 4.138 1.595 ( -0.326 -3.034 2.794) 4.138 1.649 ( 4.415 -7.215 -12.810) 15.351 1.649 ( 4.415 -7.215 12.810) 15.351 1.774 ( -3.695 -0.878 -2.355) 4.469 1.774 ( -3.695 -0.878 2.355) 4.469 1.844 ( -1.596 -2.348 -3.642) 4.618 1.844 ( -1.596 -2.348 3.642) 4.618 1.943 ( -2.503 -1.705 -1.129) 3.232 1.943 ( -2.503 -1.705 1.129) 3.232 2.050 ( 0.835 1.335 -4.103) 4.394 2.050 ( 0.835 1.335 4.103) 4.394 2.170 ( 2.326 -0.946 -1.991) 3.205 2.170 ( 2.326 -0.946 1.991) 3.205 2.286 ( -2.783 0.659 -1.464) 3.212 2.286 ( -2.783 0.659 1.464) 3.212 2.339 ( -0.045 -0.128 -4.849) 4.851 2.339 ( -0.045 -0.128 4.849) 4.851 2.439 ( -0.375 -2.877 -0.397) 2.928 2.439 ( -0.375 -2.877 0.397) 2.928 2.579 ( -2.811 -0.149 -0.766) 2.918 2.579 ( -2.811 -0.149 0.766) 2.918 2.608 ( 1.217 -0.555 -1.771) 2.219 2.608 ( 1.217 -0.555 1.771) 2.219 2.757 ( 3.327 -0.491 -1.629) 3.736 2.757 ( 3.327 -0.491 1.629) 3.736 2.811 ( -3.195 4.076 -1.169) 5.310 2.811 ( -3.195 4.076 1.169) 5.310 2.879 ( -5.335 2.426 -1.958) 6.179 2.879 ( -5.335 2.426 1.958) 6.179 2.973 ( -2.032 0.285 -2.759) 3.438 2.973 ( -2.032 0.285 2.759) 3.438 3.004 ( -2.014 0.426 -3.337) 3.921 3.004 ( -2.014 0.426 3.337) 3.921 3.067 ( -0.497 -2.413 -2.643) 3.613 3.067 ( -0.497 -2.413 2.643) 3.613 3.139 ( -4.330 -0.237 -1.948) 4.754 3.139 ( -4.330 -0.237 1.948) 4.754 3.212 ( -1.389 0.183 -3.637) 3.898 3.212 ( -1.389 0.183 3.637) 3.898 3.281 ( 2.321 1.986 -2.921) 4.226 3.281 ( 2.321 1.986 2.921) 4.226 3.348 ( 1.114 0.930 -2.334) 2.748 3.348 ( 1.114 0.930 2.334) 2.748 3.385 ( 1.634 -2.353 -0.882) 2.997 3.385 ( 1.634 -2.353 0.882) 2.997 3.434 ( 1.415 -3.895 -0.604) 4.188 3.434 ( 1.415 -3.895 0.604) 4.188 3.491 ( 0.538 -5.696 -0.232) 5.726 3.491 ( 0.538 -5.696 0.232) 5.726 3.575 ( 5.196 -5.298 -2.516) 7.835 3.575 ( 5.196 -5.298 2.516) 7.835 3.620 ( 2.387 0.216 -0.833) 2.537 3.620 ( 2.387 0.216 0.833) 2.537 3.736 ( 0.505 -1.430 -1.917) 2.444 3.736 ( 0.505 -1.430 1.917) 2.444 3.941 ( -1.648 0.683 -7.105) 7.326 3.941 ( -1.648 0.683 7.105) 7.326 4.204 ( 0.390 -0.233 -0.446) 0.637 4.204 ( 0.390 -0.233 0.446) 0.637 4.597 ( 2.307 -0.586 -0.195) 2.388 4.597 ( 2.307 -0.586 0.195) 2.388 7.919 ( 0.371 -0.678 -0.486) 0.913 7.919 ( 0.371 -0.678 0.486) 0.913 8.360 ( 3.336 1.186 -5.088) 6.199 8.360 ( 3.336 1.186 5.088) 6.199 8.560 ( 2.084 -1.969 -1.062) 3.057 8.560 ( 2.084 -1.969 1.062) 3.057 8.768 ( -0.943 0.540 -3.098) 3.283 8.768 ( -0.943 0.540 3.098) 3.283 9.020 ( -0.580 0.308 -2.821) 2.896 9.020 ( -0.580 0.308 2.821) 2.896 9.093 ( -2.273 0.414 -0.979) 2.509 9.093 ( -2.273 0.414 0.979) 2.509 ======================= Grid point 162 (50/63) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 7.676 -10.117 -4.892) 13.609 1.011 ( 7.676 -10.117 4.892) 13.609 1.138 ( 6.060 -7.594 -11.685) 15.196 1.138 ( 6.060 -7.594 11.685) 15.196 1.346 ( -2.018 -4.880 -5.297) 7.480 1.346 ( -2.018 -4.880 5.297) 7.480 1.487 ( 0.245 -5.350 -4.286) 6.860 1.487 ( 0.245 -5.350 4.286) 6.860 1.577 ( -3.752 -4.638 -4.160) 7.273 1.577 ( -3.752 -4.638 4.160) 7.273 1.650 ( 1.631 -3.327 -1.698) 4.076 1.650 ( 1.631 -3.327 1.698) 4.076 1.782 ( -4.357 -2.610 -3.418) 6.122 1.782 ( -4.357 -2.610 3.418) 6.122 1.828 ( 2.947 -4.620 -4.041) 6.809 1.828 ( 2.947 -4.620 4.041) 6.809 1.898 ( 0.703 -5.009 -5.493) 7.467 1.898 ( 0.703 -5.009 5.493) 7.467 1.979 ( -2.270 -3.746 -1.683) 4.692 1.979 ( -2.270 -3.746 1.683) 4.692 2.044 ( 3.189 -0.788 -4.360) 5.459 2.044 ( 3.189 -0.788 4.360) 5.459 2.170 ( -0.240 1.762 -0.619) 1.883 2.170 ( -0.240 1.762 0.619) 1.883 2.278 ( -0.529 -1.363 -1.085) 1.821 2.278 ( -0.529 -1.363 1.085) 1.821 2.365 ( 1.710 -1.679 -3.375) 4.139 2.365 ( 1.710 -1.679 3.375) 4.139 2.482 ( -0.243 -0.653 -1.344) 1.513 2.482 ( -0.243 -0.653 1.344) 1.513 2.567 ( -1.924 -1.186 -0.781) 2.391 2.567 ( -1.924 -1.186 0.781) 2.391 2.629 ( 0.652 -0.557 -1.982) 2.160 2.629 ( 0.652 -0.557 1.982) 2.160 2.721 ( 1.154 2.853 -2.537) 3.989 2.721 ( 1.154 2.853 2.537) 3.989 2.788 ( -1.399 -0.255 -1.522) 2.083 2.788 ( -1.399 -0.255 1.522) 2.083 2.853 ( -1.084 -2.533 -2.833) 3.952 2.853 ( -1.084 -2.533 2.833) 3.952 2.939 ( -1.813 1.364 -2.840) 3.635 2.939 ( -1.813 1.364 2.840) 3.635 3.003 ( -2.148 -2.174 -2.924) 4.230 3.003 ( -2.148 -2.174 2.924) 4.230 3.095 ( -1.250 -1.094 -1.798) 2.448 3.095 ( -1.250 -1.094 1.798) 2.448 3.132 ( -3.479 -1.640 -2.103) 4.384 3.132 ( -3.479 -1.640 2.103) 4.384 3.199 ( -0.214 0.958 -2.335) 2.533 3.199 ( -0.214 0.958 2.335) 2.533 3.249 ( 1.504 3.177 -2.897) 4.555 3.249 ( 1.504 3.177 2.897) 4.555 3.330 ( -0.358 1.014 -0.913) 1.410 3.330 ( -0.358 1.014 0.913) 1.410 3.439 ( 1.363 -2.164 -0.631) 2.635 3.439 ( 1.363 -2.164 0.631) 2.635 3.530 ( 1.760 -3.787 -1.172) 4.337 3.530 ( 1.760 -3.787 1.172) 4.337 3.558 ( -1.967 -3.166 -2.072) 4.264 3.558 ( -1.967 -3.166 2.072) 4.264 3.653 ( 1.127 -2.609 -1.753) 3.340 3.653 ( 1.127 -2.609 1.753) 3.340 3.708 ( 4.319 -4.659 -1.730) 6.584 3.708 ( 4.319 -4.659 1.730) 6.584 3.777 ( 1.639 -1.877 -1.839) 3.097 3.777 ( 1.639 -1.877 1.839) 3.097 3.914 ( -1.098 0.582 -5.096) 5.245 3.914 ( -1.098 0.582 5.096) 5.245 4.212 ( 0.215 -0.390 -0.760) 0.881 4.212 ( 0.215 -0.390 0.760) 0.881 4.615 ( 1.812 0.118 -0.236) 1.831 4.615 ( 1.812 0.118 0.236) 1.831 7.936 ( 0.283 -0.846 -0.422) 0.987 7.936 ( 0.283 -0.846 0.422) 0.987 8.348 ( 2.491 2.010 -4.405) 5.445 8.348 ( 2.491 2.010 4.405) 5.445 8.616 ( 1.312 -2.672 -0.199) 2.983 8.616 ( 1.312 -2.672 0.199) 2.983 8.746 ( -1.180 1.022 -4.048) 4.338 8.746 ( -1.180 1.022 4.048) 4.338 9.010 ( -0.337 0.423 -2.454) 2.512 9.010 ( -0.337 0.423 2.454) 2.512 9.084 ( -1.190 -0.528 -0.673) 1.466 9.084 ( -1.190 -0.528 0.673) 1.466 ======================= Grid point 164 (51/63) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 6.194 -7.044 -2.288) 9.655 1.223 ( 6.194 -7.044 2.288) 9.655 1.288 ( 1.763 -5.643 -7.080) 9.224 1.288 ( 1.763 -5.643 7.080) 9.224 1.429 ( -0.861 -5.082 -3.556) 6.262 1.429 ( -0.861 -5.082 3.556) 6.262 1.557 ( -1.503 -2.273 -5.868) 6.470 1.557 ( -1.503 -2.273 5.868) 6.470 1.614 ( -3.632 -2.487 -2.285) 4.960 1.614 ( -3.632 -2.487 2.285) 4.960 1.724 ( -0.800 -3.959 -3.854) 5.583 1.724 ( -0.800 -3.959 3.854) 5.583 1.787 ( -0.196 0.243 -2.594) 2.613 1.787 ( -0.196 0.243 2.594) 2.613 1.869 ( 1.217 -0.611 -1.649) 2.138 1.869 ( 1.217 -0.611 1.649) 2.138 1.934 ( -2.761 -0.234 -1.634) 3.217 1.934 ( -2.761 -0.234 1.634) 3.217 2.011 ( -0.158 -0.019 -2.974) 2.978 2.011 ( -0.158 -0.019 2.974) 2.978 2.127 ( -0.392 -1.611 -0.938) 1.905 2.127 ( -0.392 -1.611 0.938) 1.905 2.177 ( 1.738 -5.123 -6.272) 8.283 2.177 ( 1.738 -5.123 6.272) 8.283 2.300 ( 2.616 1.012 -4.802) 5.561 2.300 ( 2.616 1.012 4.802) 5.561 2.406 ( -0.217 -1.937 -1.134) 2.254 2.406 ( -0.217 -1.937 1.134) 2.254 2.478 ( 1.395 -0.400 -3.115) 3.436 2.478 ( 1.395 -0.400 3.115) 3.436 2.586 ( -2.540 -0.231 -0.057) 2.551 2.586 ( -2.540 -0.231 0.057) 2.551 2.643 ( 1.006 -2.040 -3.561) 4.225 2.643 ( 1.006 -2.040 3.561) 4.225 2.687 ( 1.272 2.572 -1.891) 3.436 2.687 ( 1.272 2.572 1.891) 3.436 2.798 ( -1.274 -1.580 -3.106) 3.711 2.798 ( -1.274 -1.580 3.106) 3.711 2.900 ( 0.816 -1.380 -3.664) 4.000 2.900 ( 0.816 -1.380 3.665) 4.000 2.942 ( -1.528 -3.343 -3.907) 5.364 2.942 ( -1.528 -3.343 3.907) 5.364 3.052 ( -0.356 -3.472 -3.377) 4.857 3.052 ( -0.356 -3.472 3.377) 4.857 3.103 ( 0.747 -0.048 -2.259) 2.379 3.103 ( 0.747 -0.048 2.259) 2.379 3.133 ( -1.319 1.239 -2.277) 2.908 3.133 ( -1.319 1.239 2.277) 2.908 3.165 ( 0.234 1.883 -2.020) 2.772 3.165 ( 0.234 1.883 2.020) 2.772 3.201 ( -0.364 1.452 -1.999) 2.497 3.201 ( -0.364 1.452 1.999) 2.497 3.312 ( -1.776 0.174 -0.539) 1.864 3.312 ( -1.776 0.174 0.539) 1.864 3.472 ( 0.865 -0.613 -1.025) 1.475 3.472 ( 0.865 -0.613 1.025) 1.475 3.526 ( -1.909 1.437 -2.754) 3.646 3.526 ( -1.909 1.437 2.754) 3.646 3.637 ( 2.159 -3.203 -2.015) 4.357 3.637 ( 2.159 -3.203 2.015) 4.357 3.711 ( 0.364 -3.041 -0.650) 3.131 3.711 ( 0.364 -3.041 0.650) 3.131 3.786 ( 0.078 -2.041 -1.311) 2.427 3.786 ( 0.078 -2.041 1.311) 2.427 3.813 ( 0.560 -1.225 -0.735) 1.534 3.813 ( 0.560 -1.225 0.735) 1.534 3.915 ( 1.116 -0.324 -2.664) 2.906 3.915 ( 1.116 -0.324 2.664) 2.906 4.217 ( -0.046 -0.013 -0.874) 0.875 4.217 ( -0.046 -0.013 0.874) 0.875 4.615 ( 1.017 0.771 -0.321) 1.315 4.615 ( 1.017 0.771 0.321) 1.315 7.950 ( 0.108 -0.516 -0.271) 0.593 7.950 ( 0.108 -0.516 0.271) 0.593 8.323 ( 1.218 1.811 -2.947) 3.667 8.323 ( 1.218 1.811 2.947) 3.667 8.662 ( -0.223 -1.895 -1.944) 2.724 8.662 ( -0.223 -1.895 1.944) 2.724 8.726 ( 0.018 0.694 -4.110) 4.168 8.726 ( 0.018 0.694 4.110) 4.168 9.002 ( -0.170 0.276 -1.254) 1.295 9.002 ( -0.170 0.276 1.254) 1.295 9.092 ( -0.384 -0.772 -0.370) 0.938 9.092 ( -0.384 -0.772 0.370) 0.938 ======================= Grid point 166 (52/63) ======================= q-point: (-0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -1.399 4.440 -5.207) 6.984 1.253 ( -1.399 4.440 5.207) 6.984 1.370 ( 2.639 0.728 -3.370) 4.341 1.370 ( 2.639 0.728 3.370) 4.341 1.494 ( -0.258 0.283 -4.131) 4.148 1.494 ( -0.258 0.283 4.131) 4.148 1.555 ( -0.174 -1.532 -2.829) 3.222 1.555 ( -0.174 -1.532 2.829) 3.222 1.658 ( -1.740 -3.735 -1.859) 4.520 1.658 ( -1.740 -3.735 1.859) 4.520 1.749 ( 1.073 -0.273 -3.412) 3.587 1.749 ( 1.073 -0.273 3.412) 3.587 1.787 ( -0.192 1.305 -1.441) 1.953 1.787 ( -0.192 1.305 1.441) 1.953 1.882 ( 1.152 -1.109 -0.552) 1.691 1.882 ( 1.152 -1.109 0.552) 1.691 1.938 ( -2.553 -0.720 -1.951) 3.293 1.938 ( -2.553 -0.720 1.951) 3.293 2.005 ( 1.391 -0.678 -3.598) 3.916 2.005 ( 1.391 -0.678 3.598) 3.916 2.160 ( 0.848 -0.931 -2.938) 3.196 2.160 ( 0.848 -0.931 2.938) 3.196 2.225 ( -0.736 0.910 -4.546) 4.695 2.225 ( -0.736 0.910 4.546) 4.695 2.289 ( 3.669 1.278 -2.250) 4.490 2.289 ( 3.669 1.278 2.250) 4.490 2.417 ( -0.350 -0.064 -1.025) 1.085 2.417 ( -0.350 -0.064 1.025) 1.085 2.477 ( -6.141 0.941 -1.606) 6.417 2.477 ( -6.141 0.941 1.606) 6.417 2.564 ( 1.620 1.741 -2.030) 3.127 2.564 ( 1.620 1.741 2.030) 3.127 2.636 ( -2.135 0.672 -2.720) 3.522 2.636 ( -2.135 0.672 2.720) 3.522 2.708 ( 4.356 -0.827 -2.085) 4.899 2.708 ( 4.356 -0.827 2.085) 4.899 2.809 ( -1.376 -0.344 -2.192) 2.611 2.809 ( -1.376 -0.344 2.192) 2.611 2.911 ( -0.292 0.745 -4.145) 4.222 2.911 ( -0.292 0.745 4.145) 4.222 3.008 ( -1.198 -4.101 -2.975) 5.206 3.008 ( -1.198 -4.101 2.975) 5.206 3.040 ( 0.489 4.570 -3.527) 5.794 3.040 ( 0.489 4.570 3.527) 5.794 3.097 ( 0.184 -1.794 -0.438) 1.856 3.097 ( 0.184 -1.794 0.438) 1.856 3.135 ( 0.935 1.480 -1.203) 2.125 3.135 ( 0.935 1.480 1.203) 2.125 3.161 ( -0.181 -1.792 -0.993) 2.057 3.161 ( -0.181 -1.792 0.993) 2.057 3.207 ( 3.208 -1.243 -1.627) 3.806 3.207 ( 3.208 -1.243 1.627) 3.806 3.298 ( -3.014 -0.434 -0.708) 3.127 3.298 ( -3.014 -0.434 0.708) 3.127 3.477 ( 0.104 0.842 -0.139) 0.860 3.477 ( 0.104 0.842 0.139) 0.860 3.512 ( -0.370 -1.684 -2.583) 3.105 3.512 ( -0.370 -1.684 2.583) 3.105 3.673 ( 2.274 0.800 -2.579) 3.530 3.673 ( 2.274 0.800 2.579) 3.530 3.736 ( -0.856 1.270 -0.689) 1.679 3.736 ( -0.856 1.270 0.689) 1.679 3.792 ( -0.170 0.704 -1.341) 1.524 3.792 ( -0.170 0.704 1.341) 1.524 3.827 ( -2.697 -1.039 -1.356) 3.193 3.827 ( -2.697 -1.039 1.356) 3.193 3.923 ( 2.287 0.811 -3.081) 3.922 3.923 ( 2.287 0.811 3.081) 3.922 4.212 ( -0.482 0.245 -0.480) 0.723 4.212 ( -0.482 0.245 0.480) 0.723 4.604 ( 0.144 0.650 -0.251) 0.712 4.604 ( 0.144 0.650 0.251) 0.712 7.955 ( -0.028 0.074 -0.059) 0.098 7.955 ( -0.028 0.074 0.059) 0.098 8.302 ( 0.082 0.783 -1.064) 1.324 8.302 ( 0.082 0.783 1.064) 1.324 8.689 ( -0.286 -1.511 -2.528) 2.959 8.689 ( -0.286 -1.511 2.528) 2.959 8.711 ( 0.228 1.375 -2.334) 2.718 8.711 ( 0.228 1.375 2.334) 2.718 8.998 ( -0.149 -0.061 -0.410) 0.440 8.998 ( -0.149 -0.061 0.410) 0.440 9.102 ( 0.148 -0.301 -0.112) 0.353 9.102 ( 0.148 -0.301 0.112) 0.353 ======================= Grid point 168 (53/63) ======================= q-point: (-0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -1.942 10.026 -7.313) 12.561 1.103 ( -1.942 10.026 7.313) 12.561 1.259 ( -0.490 9.531 -9.703) 13.610 1.259 ( -0.490 9.531 9.703) 13.610 1.450 ( 0.365 4.126 -4.458) 6.086 1.450 ( 0.365 4.126 4.458) 6.086 1.577 ( 0.343 1.699 -5.505) 5.771 1.577 ( 0.343 1.699 5.505) 5.771 1.670 ( 0.889 1.558 -2.846) 3.364 1.670 ( 0.889 1.558 2.846) 3.364 1.731 ( 0.008 4.592 -2.458) 5.208 1.731 ( 0.008 4.592 2.458) 5.208 1.804 ( 0.067 -2.989 -2.806) 4.100 1.804 ( 0.067 -2.989 2.806) 4.100 1.889 ( 2.779 1.447 -3.109) 4.414 1.889 ( 2.779 1.447 3.109) 4.414 1.929 ( -3.114 -0.087 -3.119) 4.408 1.929 ( -3.114 -0.087 3.119) 4.408 2.044 ( 2.152 -0.323 -3.863) 4.434 2.044 ( 2.152 -0.323 3.863) 4.434 2.081 ( -1.984 6.814 -7.207) 10.115 2.081 ( -1.984 6.814 7.207) 10.115 2.201 ( 0.984 2.744 -7.914) 8.434 2.201 ( 0.984 2.744 7.914) 8.434 2.302 ( 3.286 0.388 -2.028) 3.881 2.302 ( 3.286 0.388 2.028) 3.881 2.354 ( -4.315 2.794 -2.127) 5.563 2.354 ( -4.315 2.794 2.127) 5.563 2.470 ( 0.129 -1.789 -2.500) 3.077 2.470 ( 0.129 -1.789 2.500) 3.077 2.554 ( -0.494 -1.563 -2.363) 2.876 2.554 ( -0.494 -1.563 2.363) 2.876 2.618 ( -1.473 0.927 -4.120) 4.472 2.618 ( -1.473 0.927 4.120) 4.472 2.735 ( 3.426 0.225 -3.006) 4.563 2.735 ( 3.426 0.225 3.006) 4.563 2.786 ( -2.729 1.281 -3.666) 4.746 2.786 ( -2.729 1.281 3.666) 4.746 2.881 ( -0.191 1.440 -5.245) 5.443 2.881 ( -0.191 1.440 5.245) 5.443 2.983 ( 0.943 2.362 -4.221) 4.928 2.983 ( 0.943 2.362 4.221) 4.928 3.068 ( 0.248 -2.350 -1.740) 2.935 3.068 ( 0.248 -2.350 1.740) 2.935 3.113 ( 1.318 0.729 -1.694) 2.266 3.113 ( 1.318 0.729 1.694) 2.266 3.128 ( -0.957 -1.350 -1.933) 2.544 3.128 ( -0.957 -1.350 1.933) 2.544 3.184 ( 0.247 -1.057 -2.948) 3.141 3.184 ( 0.247 -1.057 2.948) 3.141 3.245 ( 1.972 -0.367 -1.374) 2.432 3.245 ( 1.972 -0.367 1.374) 2.432 3.308 ( -0.638 -1.620 -1.323) 2.187 3.308 ( -0.638 -1.620 1.323) 2.187 3.440 ( -1.497 2.209 -1.311) 2.973 3.440 ( -1.497 2.209 1.311) 2.973 3.563 ( 0.611 -1.498 -2.048) 2.610 3.563 ( 0.611 -1.498 2.048) 2.610 3.648 ( 1.504 2.648 -2.656) 4.041 3.648 ( 1.504 2.648 2.656) 4.041 3.672 ( -0.885 3.554 -1.035) 3.806 3.672 ( -0.885 3.554 1.035) 3.806 3.743 ( -1.175 4.143 -1.600) 4.594 3.743 ( -1.175 4.143 1.600) 4.594 3.810 ( -0.766 2.456 -0.975) 2.751 3.810 ( -0.766 2.456 0.975) 2.751 3.920 ( 0.694 0.119 -6.369) 6.408 3.920 ( 0.694 0.119 6.369) 6.408 4.205 ( -0.475 0.202 -0.252) 0.575 4.205 ( -0.475 0.202 0.252) 0.575 4.595 ( -0.294 0.263 -0.201) 0.443 4.595 ( -0.294 0.263 0.201) 0.443 7.948 ( -0.062 0.665 -0.162) 0.687 7.948 ( -0.062 0.665 0.162) 0.687 8.297 ( -0.464 -0.334 -0.893) 1.060 8.297 ( -0.464 -0.334 0.893) 1.060 8.666 ( 0.046 3.268 -1.246) 3.498 8.666 ( 0.046 3.268 1.246) 3.498 8.724 ( -0.052 -2.021 -3.893) 4.387 8.724 ( -0.052 -2.021 3.893) 4.387 9.003 ( -0.007 -0.523 -1.888) 1.959 9.003 ( -0.007 -0.523 1.888) 1.959 9.105 ( 0.285 0.146 -0.354) 0.477 9.105 ( 0.285 0.146 0.354) 0.477 ======================= Grid point 170 (54/63) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.000 11.986 -9.434) 15.253 0.890 ( -0.000 11.986 9.434) 15.253 1.062 ( -0.000 11.885 -11.431) 16.490 1.062 ( -0.000 11.885 11.431) 16.490 1.363 ( -0.000 4.993 -4.875) 6.978 1.363 ( -0.000 4.993 4.875) 6.978 1.480 ( -0.000 7.861 -3.574) 8.635 1.480 ( -0.000 7.861 3.574) 8.635 1.619 ( -0.000 6.855 -2.147) 7.183 1.619 ( -0.000 6.855 2.147) 7.183 1.632 ( -0.000 3.118 -4.737) 5.671 1.632 ( -0.000 3.118 4.737) 5.671 1.770 ( -0.000 8.252 -6.786) 10.684 1.770 ( -0.000 8.252 6.786) 10.684 1.843 ( -0.000 1.748 -5.925) 6.177 1.843 ( -0.000 1.748 5.925) 6.177 1.892 ( -0.000 2.169 -6.882) 7.216 1.892 ( -0.000 2.169 6.882) 7.216 1.999 ( -0.000 1.243 -3.366) 3.588 1.999 ( -0.000 1.243 3.366) 3.588 2.055 ( -0.000 0.793 -3.628) 3.713 2.055 ( -0.000 0.793 3.628) 3.713 2.160 ( -0.000 1.318 -3.628) 3.859 2.160 ( -0.000 1.318 3.628) 3.859 2.290 ( -0.000 0.138 -1.368) 1.375 2.290 ( -0.000 0.138 1.368) 1.375 2.332 ( 0.000 -0.409 -6.374) 6.387 2.332 ( 0.000 -0.409 6.374) 6.387 2.474 ( -0.000 1.729 -1.820) 2.510 2.474 ( -0.000 1.729 1.820) 2.510 2.598 ( -0.000 0.296 -2.777) 2.793 2.598 ( -0.000 0.296 2.777) 2.793 2.626 ( 0.000 -4.802 -3.330) 5.844 2.626 ( 0.000 -4.802 3.330) 5.844 2.723 ( -0.000 3.149 -1.974) 3.716 2.723 ( -0.000 3.149 1.974) 3.716 2.756 ( 0.000 -0.912 -2.114) 2.302 2.756 ( 0.000 -0.912 2.114) 2.302 2.888 ( 0.000 -2.288 -6.407) 6.803 2.888 ( 0.000 -2.288 6.407) 6.803 2.966 ( 0.000 -0.494 -2.882) 2.924 2.966 ( 0.000 -0.494 2.882) 2.924 3.079 ( -0.000 1.416 -3.167) 3.469 3.079 ( -0.000 1.416 3.167) 3.469 3.098 ( -0.000 0.882 -3.553) 3.660 3.098 ( -0.000 0.882 3.553) 3.660 3.172 ( 0.000 -2.586 -5.774) 6.327 3.172 ( 0.000 -2.586 5.774) 6.327 3.202 ( 0.000 -1.254 -2.569) 2.858 3.202 ( 0.000 -1.254 2.569) 2.858 3.253 ( -0.000 0.036 -1.843) 1.843 3.253 ( -0.000 0.036 1.843) 1.843 3.318 ( -0.000 0.472 -1.236) 1.323 3.318 ( -0.000 0.472 1.236) 1.323 3.393 ( -0.000 2.088 -0.851) 2.255 3.393 ( -0.000 2.088 0.851) 2.255 3.516 ( -0.000 5.196 -1.132) 5.318 3.516 ( -0.000 5.196 1.132) 5.318 3.583 ( -0.000 5.016 -3.742) 6.259 3.583 ( -0.000 5.016 3.742) 6.259 3.638 ( -0.000 3.542 -4.351) 5.611 3.638 ( -0.000 3.542 4.351) 5.611 3.654 ( -0.000 3.510 -1.513) 3.822 3.654 ( -0.000 3.510 1.513) 3.822 3.740 ( -0.000 3.180 -1.406) 3.477 3.740 ( -0.000 3.180 1.406) 3.477 3.938 ( 0.000 -1.702 -8.610) 8.777 3.938 ( 0.000 -1.702 8.610) 8.777 4.199 ( -0.000 0.307 -0.660) 0.728 4.199 ( -0.000 0.307 0.660) 0.728 4.588 ( -0.000 0.566 -0.166) 0.590 4.588 ( -0.000 0.566 0.166) 0.590 7.932 ( -0.000 0.960 -0.342) 1.019 7.932 ( -0.000 0.960 0.342) 1.019 8.307 ( 0.000 -0.891 -2.545) 2.697 8.307 ( 0.000 -0.891 2.545) 2.697 8.598 ( -0.000 3.738 -0.216) 3.744 8.598 ( -0.000 3.738 0.216) 3.744 8.758 ( 0.000 -1.466 -4.352) 4.592 8.758 ( 0.000 -1.466 4.352) 4.592 9.016 ( 0.000 -0.740 -2.690) 2.790 9.016 ( 0.000 -0.740 2.690) 2.790 9.105 ( 0.000 -0.269 -0.909) 0.948 9.105 ( 0.000 -0.269 0.909) 0.948 ======================= Grid point 176 (55/63) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 10.064 0.000 -11.212) 15.067 0.796 ( 10.064 0.000 11.212) 15.067 0.944 ( 19.123 0.000 -9.547) 21.374 0.944 ( 19.123 0.000 9.547) 21.374 1.263 ( -1.394 -0.000 -3.314) 3.595 1.263 ( -1.394 -0.000 3.314) 3.595 1.337 ( -1.355 -0.000 -11.950) 12.026 1.337 ( -1.355 -0.000 11.950) 12.026 1.487 ( 2.446 0.000 -7.875) 8.246 1.487 ( 2.446 0.000 7.875) 8.246 1.530 ( 1.699 0.000 -13.986) 14.089 1.530 ( 1.699 0.000 13.986) 14.089 1.623 ( 3.921 0.000 -12.706) 13.298 1.623 ( 3.921 0.000 12.706) 13.298 1.749 ( -2.950 -0.000 -4.281) 5.199 1.749 ( -2.950 -0.000 4.281) 5.199 1.804 ( -2.668 -0.000 -4.182) 4.960 1.804 ( -2.668 -0.000 4.182) 4.960 1.914 ( -2.259 -0.000 -1.790) 2.882 1.914 ( -2.259 -0.000 1.790) 2.882 2.076 ( -0.243 -0.000 -6.494) 6.498 2.076 ( -0.243 -0.000 6.494) 6.498 2.156 ( 1.431 0.000 -1.937) 2.408 2.156 ( 1.431 0.000 1.937) 2.408 2.282 ( -2.105 -0.000 -1.737) 2.729 2.282 ( -2.105 -0.000 1.737) 2.729 2.341 ( 0.124 0.000 -0.454) 0.471 2.341 ( 0.124 0.000 0.454) 0.471 2.391 ( -2.828 -0.000 -1.593) 3.246 2.391 ( -2.828 -0.000 1.593) 3.246 2.573 ( -0.902 -0.000 -1.434) 1.694 2.573 ( -0.902 -0.000 1.434) 1.694 2.604 ( 0.516 0.000 -1.832) 1.903 2.604 ( 0.516 0.000 1.832) 1.903 2.768 ( 1.729 0.000 -0.139) 1.735 2.768 ( 1.729 0.000 0.139) 1.735 2.791 ( -9.320 -0.000 -0.158) 9.321 2.791 ( -9.320 -0.000 0.158) 9.321 2.901 ( -2.194 -0.000 -3.858) 4.439 2.901 ( -2.194 -0.000 3.858) 4.439 2.969 ( -0.639 -0.000 -5.995) 6.029 2.969 ( -0.639 -0.000 5.995) 6.029 2.996 ( -1.703 -0.000 -3.716) 4.087 2.996 ( -1.703 -0.000 3.716) 4.087 3.044 ( 0.122 0.000 -2.271) 2.274 3.044 ( 0.122 0.000 2.271) 2.274 3.113 ( -4.143 -0.000 -3.348) 5.326 3.113 ( -4.143 -0.000 3.348) 5.326 3.216 ( -0.494 -0.000 -3.713) 3.746 3.216 ( -0.494 -0.000 3.713) 3.746 3.313 ( 0.954 0.000 -2.374) 2.558 3.313 ( 0.954 0.000 2.374) 2.558 3.350 ( -0.529 -0.000 -1.879) 1.952 3.350 ( -0.529 -0.000 1.879) 1.952 3.371 ( 2.659 0.000 -0.372) 2.685 3.371 ( 2.659 0.000 0.372) 2.685 3.394 ( -0.120 -0.000 -0.574) 0.587 3.394 ( -0.120 -0.000 0.574) 0.587 3.450 ( 4.385 0.000 -0.216) 4.391 3.450 ( 4.385 0.000 0.216) 4.391 3.555 ( 3.522 0.000 -1.744) 3.930 3.555 ( 3.522 0.000 1.744) 3.930 3.652 ( 4.245 0.000 -0.856) 4.330 3.652 ( 4.245 0.000 0.856) 4.330 3.715 ( 0.212 0.000 -1.095) 1.115 3.715 ( 0.212 0.000 1.095) 1.115 3.939 ( -0.833 -0.000 -5.646) 5.707 3.939 ( -0.833 -0.000 5.646) 5.707 4.201 ( -0.630 -0.000 -0.670) 0.919 4.201 ( -0.630 -0.000 0.670) 0.919 4.607 ( 2.827 0.000 -0.241) 2.837 4.607 ( 2.827 0.000 0.241) 2.837 7.916 ( 0.485 0.000 -0.518) 0.709 7.916 ( 0.485 0.000 0.518) 0.709 8.394 ( 3.572 0.000 -5.977) 6.963 8.394 ( 3.572 0.000 5.977) 6.963 8.559 ( 3.206 0.000 -0.958) 3.346 8.559 ( 3.206 0.000 0.958) 3.346 8.765 ( -1.612 -0.000 -1.228) 2.027 8.765 ( -1.612 -0.000 1.228) 2.027 9.018 ( -0.808 -0.000 -2.616) 2.738 9.018 ( -0.808 -0.000 2.616) 2.738 9.081 ( -2.656 -0.000 -0.589) 2.720 9.081 ( -2.656 -0.000 0.589) 2.720 ======================= Grid point 178 (56/63) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 9.982 -5.677 -7.516) 13.724 0.911 ( 9.982 -5.677 7.516) 13.724 1.090 ( 11.955 -3.629 -11.466) 16.958 1.090 ( 11.955 -3.629 11.466) 16.958 1.261 ( -3.761 -2.201 -6.077) 7.478 1.261 ( -3.761 -2.201 6.077) 7.478 1.391 ( 0.763 -5.042 -8.716) 10.098 1.391 ( 0.763 -5.042 8.716) 10.098 1.497 ( -1.330 -1.909 -7.403) 7.760 1.497 ( -1.330 -1.909 7.403) 7.760 1.604 ( 2.889 -3.222 -3.034) 5.285 1.604 ( 2.889 -3.222 3.034) 5.285 1.687 ( -2.422 -4.386 -8.066) 9.495 1.687 ( -2.422 -4.386 8.066) 9.495 1.754 ( 3.704 -3.204 -9.288) 10.500 1.754 ( 3.704 -3.204 9.288) 10.500 1.829 ( -0.199 -3.625 -2.233) 4.262 1.829 ( -0.199 -3.625 2.233) 4.262 1.914 ( -1.845 -1.601 -1.686) 2.968 1.914 ( -1.845 -1.601 1.686) 2.968 2.054 ( -0.661 0.367 -5.035) 5.091 2.054 ( -0.661 0.367 5.035) 5.091 2.202 ( 2.588 -1.259 -0.248) 2.889 2.202 ( 2.588 -1.259 0.248) 2.889 2.247 ( -2.263 1.018 -0.673) 2.571 2.247 ( -2.263 1.018 0.673) 2.571 2.340 ( -0.276 -1.036 -4.385) 4.515 2.340 ( -0.276 -1.036 4.385) 4.515 2.427 ( -1.291 -4.059 -2.046) 4.725 2.427 ( -1.291 -4.059 2.046) 4.725 2.556 ( -1.535 1.036 -2.090) 2.792 2.556 ( -1.535 1.036 2.090) 2.792 2.614 ( -1.123 -1.037 -1.368) 2.051 2.614 ( -1.123 -1.037 1.368) 2.051 2.744 ( -4.361 -0.099 -1.629) 4.656 2.744 ( -4.361 -0.099 1.629) 4.656 2.785 ( -0.201 -1.347 -2.557) 2.897 2.785 ( -0.201 -1.347 2.557) 2.897 2.841 ( -0.768 3.944 -4.040) 5.698 2.841 ( -0.768 3.944 4.040) 5.698 2.956 ( -0.546 0.880 -2.940) 3.117 2.956 ( -0.546 0.880 2.940) 3.117 2.981 ( -1.426 0.678 -2.082) 2.613 2.981 ( -1.426 0.678 2.082) 2.613 3.060 ( -0.844 -1.448 -4.919) 5.197 3.060 ( -0.844 -1.448 4.919) 5.197 3.087 ( -4.011 -0.458 -3.317) 5.225 3.087 ( -4.011 -0.458 3.317) 5.225 3.202 ( -0.101 0.419 -2.370) 2.409 3.202 ( -0.101 0.419 2.370) 2.409 3.299 ( 0.264 1.155 -2.599) 2.856 3.299 ( 0.264 1.155 2.599) 2.856 3.356 ( 0.605 1.239 -3.327) 3.601 3.356 ( 0.605 1.239 3.327) 3.601 3.410 ( 2.103 -2.160 -1.020) 3.183 3.410 ( 2.103 -2.160 1.020) 3.183 3.451 ( 1.501 -5.106 -1.361) 5.493 3.451 ( 1.501 -5.106 1.361) 5.493 3.501 ( 1.051 -2.588 -0.752) 2.892 3.501 ( 1.051 -2.588 0.752) 2.892 3.594 ( -0.147 -2.667 -1.017) 2.858 3.594 ( -0.147 -2.667 1.017) 2.858 3.683 ( 3.056 -2.168 -1.658) 4.097 3.683 ( 3.056 -2.168 1.658) 4.097 3.752 ( 4.086 -1.757 -0.734) 4.508 3.752 ( 4.086 -1.757 0.734) 4.508 3.924 ( -1.110 1.038 -4.486) 4.736 3.924 ( -1.110 1.038 4.486) 4.736 4.200 ( -0.890 -0.593 -0.513) 1.186 4.200 ( -0.890 -0.593 0.513) 1.186 4.626 ( 2.294 -0.198 -0.217) 2.313 4.626 ( 2.294 -0.198 0.217) 2.313 7.924 ( 0.417 -0.604 -0.516) 0.897 7.924 ( 0.417 -0.604 0.516) 0.897 8.400 ( 2.841 1.540 -6.135) 6.934 8.400 ( 2.841 1.540 6.135) 6.934 8.592 ( 3.036 -1.274 -0.510) 3.332 8.592 ( 3.036 -1.274 0.510) 3.332 8.748 ( -2.381 0.482 -2.971) 3.838 8.748 ( -2.381 0.482 2.971) 3.838 9.012 ( -0.614 0.122 -2.430) 2.509 9.012 ( -0.614 0.122 2.430) 2.509 9.068 ( -1.579 -0.191 -0.365) 1.631 9.068 ( -1.579 -0.191 0.365) 1.631 ======================= Grid point 180 (57/63) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( 7.295 -8.865 -3.638) 12.043 1.104 ( 7.295 -8.865 3.638) 12.043 1.213 ( 4.207 -4.617 -6.596) 9.084 1.213 ( 4.207 -4.617 6.596) 9.084 1.321 ( -0.337 -5.606 -2.737) 6.248 1.321 ( -0.337 -5.606 2.737) 6.248 1.469 ( -5.190 -4.219 -3.848) 7.717 1.469 ( -5.190 -4.219 3.848) 7.717 1.544 ( 0.880 -3.579 -4.929) 6.155 1.544 ( 0.880 -3.579 4.929) 6.155 1.654 ( -2.775 -2.546 -3.069) 4.858 1.654 ( -2.775 -2.546 3.069) 4.858 1.740 ( -0.746 -4.066 -1.916) 4.556 1.740 ( -0.746 -4.066 1.916) 4.556 1.855 ( 1.463 -2.350 -4.459) 5.249 1.855 ( 1.463 -2.350 4.459) 5.249 1.905 ( -0.219 -2.937 -4.144) 5.084 1.905 ( -0.219 -2.937 4.144) 5.084 1.968 ( 0.503 -4.074 -2.383) 4.746 1.968 ( 0.503 -4.074 2.383) 4.746 2.091 ( 3.415 -3.543 -4.424) 6.617 2.091 ( 3.415 -3.543 4.424) 6.617 2.151 ( -1.876 3.081 -2.679) 4.493 2.151 ( -1.876 3.081 2.679) 4.493 2.295 ( 3.231 -2.932 -1.051) 4.488 2.295 ( 3.231 -2.932 1.051) 4.488 2.375 ( -0.513 -2.162 -1.454) 2.656 2.375 ( -0.513 -2.162 1.454) 2.656 2.478 ( -0.013 -0.910 -2.066) 2.257 2.478 ( -0.013 -0.910 2.066) 2.257 2.546 ( -1.717 -2.500 -2.510) 3.937 2.546 ( -1.717 -2.500 2.510) 3.937 2.616 ( -2.513 -0.121 -2.984) 3.903 2.616 ( -2.513 -0.121 2.984) 3.903 2.728 ( -0.689 0.680 -1.910) 2.141 2.728 ( -0.689 0.680 1.910) 2.141 2.771 ( 0.047 0.970 -3.466) 3.600 2.771 ( 0.047 0.970 3.466) 3.600 2.851 ( 0.215 -3.889 -4.658) 6.072 2.851 ( 0.215 -3.889 4.658) 6.072 2.923 ( -0.471 1.440 -2.611) 3.019 2.923 ( -0.471 1.440 2.611) 3.019 2.994 ( 0.509 -2.318 -2.147) 3.200 2.994 ( 0.509 -2.318 2.147) 3.200 3.072 ( -2.803 -1.929 -1.661) 3.786 3.072 ( -2.803 -1.929 1.661) 3.786 3.097 ( -1.714 -1.922 -4.297) 5.010 3.097 ( -1.714 -1.922 4.297) 5.010 3.204 ( 0.900 -0.110 -2.234) 2.411 3.204 ( 0.900 -0.110 2.234) 2.411 3.260 ( 0.193 3.863 -2.923) 4.848 3.260 ( 0.193 3.863 2.923) 4.848 3.316 ( -1.431 1.974 -1.753) 3.003 3.316 ( -1.431 1.974 1.753) 3.003 3.462 ( 2.267 -1.621 -1.478) 3.155 3.462 ( 2.267 -1.621 1.478) 3.155 3.525 ( -1.971 -0.679 -2.478) 3.238 3.525 ( -1.971 -0.679 2.478) 3.238 3.569 ( 3.080 -5.269 -2.602) 6.635 3.569 ( 3.080 -5.269 2.602) 6.635 3.646 ( -1.863 -3.522 -3.414) 5.247 3.646 ( -1.863 -3.522 3.414) 5.247 3.748 ( 1.185 -2.378 -2.597) 3.715 3.748 ( 1.185 -2.378 2.597) 3.715 3.808 ( 3.612 -1.286 -0.216) 3.840 3.808 ( 3.612 -1.286 0.216) 3.840 3.905 ( -0.474 -0.299 -2.675) 2.733 3.905 ( -0.474 -0.299 2.675) 2.733 4.210 ( -0.455 -0.696 -0.902) 1.227 4.210 ( -0.455 -0.696 0.902) 1.227 4.635 ( 1.339 0.535 -0.364) 1.487 4.635 ( 1.339 0.535 0.364) 1.487 7.939 ( 0.209 -0.738 -0.464) 0.896 7.939 ( 0.209 -0.738 0.464) 0.896 8.375 ( 1.679 2.588 -5.513) 6.317 8.375 ( 1.679 2.588 5.513) 6.317 8.633 ( 1.379 -1.453 -0.903) 2.197 8.633 ( 1.379 -1.453 0.903) 2.197 8.728 ( -1.501 0.103 -4.479) 4.725 8.728 ( -1.501 0.103 4.479) 4.725 9.006 ( -0.187 0.293 -2.243) 2.269 9.006 ( -0.187 0.293 2.243) 2.269 9.072 ( -0.678 -0.958 -0.587) 1.313 9.072 ( -0.678 -0.958 0.587) 1.313 ======================= Grid point 182 (58/63) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.054 -2.684 -4.107) 5.318 1.278 ( 2.054 -2.684 4.107) 5.318 1.313 ( 1.838 -6.776 -1.911) 7.276 1.313 ( 1.838 -6.776 1.911) 7.276 1.437 ( 3.068 -5.404 -0.450) 6.230 1.437 ( 3.068 -5.404 0.450) 6.230 1.506 ( -6.081 -4.127 -2.221) 7.677 1.506 ( -6.081 -4.127 2.221) 7.677 1.596 ( 0.247 -1.125 -6.465) 6.567 1.596 ( 0.247 -1.125 6.465) 6.567 1.703 ( -1.650 -4.362 -5.417) 7.148 1.703 ( -1.650 -4.362 5.417) 7.148 1.803 ( 1.768 -1.654 -3.342) 4.127 1.803 ( 1.768 -1.654 3.342) 4.127 1.882 ( -0.062 -0.862 -3.705) 3.805 1.882 ( -0.062 -0.862 3.705) 3.805 1.904 ( -0.999 1.480 -1.967) 2.657 1.904 ( -0.999 1.480 1.967) 2.657 2.008 ( -0.368 -0.429 -4.512) 4.548 2.008 ( -0.368 -0.429 4.512) 4.548 2.115 ( -0.696 -2.473 -2.451) 3.551 2.115 ( -0.696 -2.473 2.451) 3.551 2.202 ( 1.349 -3.460 -4.852) 6.110 2.202 ( 1.349 -3.460 4.852) 6.110 2.342 ( 3.910 0.760 -2.570) 4.740 2.342 ( 3.910 0.760 2.570) 4.740 2.388 ( -2.767 -0.822 -0.507) 2.931 2.388 ( -2.767 -0.822 0.507) 2.931 2.488 ( -0.225 0.903 -1.849) 2.070 2.488 ( -0.225 0.903 1.849) 2.070 2.569 ( 0.779 -0.327 -4.785) 4.859 2.569 ( 0.779 -0.327 4.785) 4.859 2.630 ( -2.322 -2.377 -3.295) 4.679 2.630 ( -2.322 -2.377 3.295) 4.679 2.721 ( 3.146 0.074 -2.717) 4.158 2.721 ( 3.146 0.074 2.717) 4.158 2.774 ( -2.440 -1.457 -4.156) 5.035 2.774 ( -2.440 -1.457 4.156) 5.035 2.912 ( 0.933 -0.433 -4.600) 4.714 2.912 ( 0.933 -0.433 4.600) 4.714 2.929 ( -0.587 -3.707 -3.946) 5.445 2.929 ( -0.587 -3.707 3.946) 5.445 3.050 ( -0.146 -2.940 -2.155) 3.648 3.050 ( -0.146 -2.940 2.155) 3.648 3.112 ( 0.515 -2.972 -1.813) 3.519 3.112 ( 0.515 -2.972 1.813) 3.519 3.122 ( -0.426 -0.847 -3.423) 3.552 3.122 ( -0.426 -0.847 3.423) 3.552 3.162 ( -0.534 5.181 -3.131) 6.077 3.162 ( -0.534 5.181 3.131) 6.077 3.214 ( 1.817 -0.043 -2.858) 3.387 3.214 ( 1.817 -0.043 2.858) 3.387 3.281 ( -2.544 0.777 -1.448) 3.029 3.281 ( -2.544 0.777 1.448) 3.029 3.486 ( 1.315 0.168 -2.331) 2.682 3.486 ( 1.315 0.168 2.331) 2.682 3.504 ( -1.586 0.815 -2.870) 3.379 3.504 ( -1.586 0.815 2.870) 3.379 3.670 ( 2.638 -3.149 -4.559) 6.136 3.670 ( 2.638 -3.149 4.559) 6.136 3.703 ( -1.353 -3.934 -1.593) 4.455 3.703 ( -1.353 -3.934 1.593) 4.455 3.772 ( -1.114 -0.354 -0.954) 1.509 3.772 ( -1.114 -0.354 0.954) 1.509 3.828 ( 0.889 0.546 -0.701) 1.257 3.828 ( 0.889 0.546 0.701) 1.257 3.930 ( 0.862 -1.362 -1.455) 2.172 3.930 ( 0.862 -1.362 1.455) 2.172 4.214 ( -0.230 0.033 -1.104) 1.128 4.214 ( -0.230 0.033 1.104) 1.128 4.624 ( 0.465 1.163 -0.473) 1.339 4.624 ( 0.465 1.163 0.473) 1.339 7.951 ( 0.038 -0.438 -0.313) 0.539 7.951 ( 0.038 -0.438 0.313) 0.539 8.334 ( 0.529 2.358 -3.794) 4.498 8.334 ( 0.529 2.358 3.794) 4.498 8.660 ( -0.127 -1.269 -2.275) 2.608 8.660 ( -0.127 -1.269 2.275) 2.608 8.726 ( -0.003 0.020 -4.307) 4.307 8.726 ( -0.003 0.020 4.307) 4.307 9.000 ( -0.113 0.275 -0.986) 1.030 9.000 ( -0.113 0.275 0.986) 1.030 9.090 ( -0.096 -1.044 -0.405) 1.124 9.090 ( -0.096 -1.044 0.405) 1.124 ======================= Grid point 184 (59/63) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.244 ( -0.000 5.441 -6.318) 8.338 1.244 ( -0.000 5.441 6.318) 8.338 1.389 ( -0.000 2.746 -4.615) 5.371 1.389 ( -0.000 2.746 4.615) 5.371 1.498 ( -0.000 0.360 -2.569) 2.594 1.498 ( -0.000 0.360 2.569) 2.594 1.548 ( 0.000 -3.128 -4.694) 5.641 1.548 ( 0.000 -3.128 4.694) 5.641 1.646 ( 0.000 -4.761 -2.839) 5.543 1.646 ( 0.000 -4.761 2.839) 5.543 1.758 ( 0.000 -1.452 -6.350) 6.514 1.758 ( 0.000 -1.452 6.350) 6.514 1.786 ( -0.000 2.184 -3.552) 4.170 1.786 ( -0.000 2.184 3.552) 4.170 1.899 ( 0.000 -0.971 -1.250) 1.583 1.899 ( 0.000 -0.971 1.250) 1.583 1.912 ( 0.000 -0.916 -2.594) 2.751 1.912 ( 0.000 -0.916 2.594) 2.751 2.015 ( 0.000 -1.475 -4.708) 4.934 2.015 ( 0.000 -1.475 4.708) 4.934 2.166 ( 0.000 -0.555 -4.651) 4.684 2.166 ( 0.000 -0.555 4.651) 4.684 2.220 ( -0.000 0.996 -5.077) 5.174 2.220 ( -0.000 0.996 5.077) 5.174 2.334 ( -0.000 0.644 -0.374) 0.744 2.334 ( -0.000 0.644 0.374) 0.744 2.395 ( -0.000 1.721 -1.401) 2.220 2.395 ( -0.000 1.721 1.401) 2.220 2.434 ( -0.000 0.524 -1.581) 1.666 2.434 ( -0.000 0.524 1.581) 1.666 2.592 ( -0.000 4.277 -1.805) 4.643 2.592 ( -0.000 4.277 1.805) 4.643 2.607 ( 0.000 -1.808 -6.858) 7.092 2.607 ( 0.000 -1.808 6.858) 7.092 2.739 ( 0.000 -0.283 -3.740) 3.750 2.739 ( 0.000 -0.283 3.740) 3.750 2.797 ( 0.000 -0.503 -0.941) 1.067 2.797 ( 0.000 -0.503 0.941) 1.067 2.908 ( -0.000 1.051 -5.644) 5.742 2.908 ( -0.000 1.051 5.644) 5.742 3.000 ( 0.000 -4.005 -2.892) 4.940 3.000 ( 0.000 -4.005 2.892) 4.940 3.042 ( -0.000 3.832 -3.017) 4.877 3.042 ( -0.000 3.832 3.017) 4.877 3.100 ( 0.000 -1.246 -0.839) 1.503 3.100 ( 0.000 -1.246 0.839) 1.503 3.142 ( -0.000 0.591 -1.386) 1.506 3.142 ( -0.000 0.591 1.386) 1.506 3.159 ( 0.000 -1.612 -3.563) 3.911 3.159 ( 0.000 -1.612 3.563) 3.911 3.253 ( 0.000 -3.125 -3.594) 4.762 3.253 ( 0.000 -3.125 3.594) 4.762 3.254 ( -0.000 0.607 -0.848) 1.043 3.254 ( -0.000 0.607 0.848) 1.043 3.477 ( -0.000 1.845 -0.255) 1.863 3.477 ( -0.000 1.845 0.255) 1.863 3.510 ( 0.000 -2.735 -3.697) 4.598 3.510 ( 0.000 -2.735 3.697) 4.598 3.694 ( -0.000 1.006 -5.571) 5.661 3.694 ( -0.000 1.006 5.571) 5.661 3.727 ( -0.000 2.303 -2.599) 3.472 3.727 ( -0.000 2.303 2.599) 3.472 3.794 ( 0.000 -3.011 -2.759) 4.084 3.794 ( 0.000 -3.011 2.759) 4.084 3.804 ( -0.000 2.393 -2.311) 3.326 3.804 ( -0.000 2.393 2.311) 3.326 3.939 ( -0.000 0.791 -3.197) 3.293 3.939 ( -0.000 0.791 3.197) 3.293 4.209 ( -0.000 0.351 -0.684) 0.769 4.209 ( -0.000 0.351 0.684) 0.769 4.605 ( -0.000 0.916 -0.355) 0.982 4.605 ( -0.000 0.916 0.355) 0.982 7.955 ( -0.000 0.105 -0.084) 0.134 7.955 ( -0.000 0.105 0.084) 0.134 8.303 ( -0.000 1.111 -1.505) 1.871 8.303 ( -0.000 1.111 1.505) 1.871 8.687 ( 0.000 -1.849 -3.071) 3.584 8.687 ( 0.000 -1.849 3.071) 3.584 8.712 ( -0.000 1.653 -2.797) 3.249 8.712 ( -0.000 1.653 2.797) 3.249 8.997 ( 0.000 -0.091 -0.574) 0.581 8.997 ( 0.000 -0.091 0.574) 0.581 9.103 ( 0.000 -0.421 -0.151) 0.447 9.103 ( 0.000 -0.421 0.151) 0.447 ======================= Grid point 194 (60/63) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 11.396 0.000 -9.142) 14.610 0.931 ( 11.396 0.000 9.142) 14.610 1.129 ( 6.690 0.000 -8.210) 10.590 1.129 ( 6.690 0.000 8.210) 10.590 1.222 ( -1.182 -0.000 -2.445) 2.715 1.222 ( -1.182 -0.000 2.445) 2.715 1.343 ( 0.010 0.000 -12.498) 12.498 1.343 ( 0.010 0.000 12.498) 12.498 1.478 ( 0.481 0.000 -9.041) 9.054 1.478 ( 0.481 0.000 9.041) 9.054 1.589 ( 2.617 0.000 -7.179) 7.642 1.589 ( 2.617 0.000 7.179) 7.642 1.641 ( -0.820 -0.000 -4.965) 5.032 1.641 ( -0.820 -0.000 4.965) 5.032 1.750 ( 4.271 0.000 -12.217) 12.942 1.750 ( 4.271 0.000 12.217) 12.942 1.785 ( -0.244 -0.000 -3.362) 3.371 1.785 ( -0.244 -0.000 3.362) 3.371 1.892 ( -1.023 -0.000 -2.141) 2.373 1.892 ( -1.023 -0.000 2.141) 2.373 2.031 ( -6.137 -0.000 -5.795) 8.441 2.031 ( -6.137 -0.000 5.795) 8.441 2.192 ( 4.020 0.000 -2.025) 4.501 2.192 ( 4.020 0.000 2.025) 4.501 2.267 ( -0.317 -0.000 -3.960) 3.973 2.267 ( -0.317 -0.000 3.960) 3.973 2.331 ( -3.162 -0.000 -3.917) 5.034 2.331 ( -3.162 -0.000 3.917) 5.034 2.363 ( -0.493 -0.000 -0.368) 0.615 2.363 ( -0.493 -0.000 0.368) 0.615 2.560 ( -2.004 -0.000 -3.061) 3.658 2.560 ( -2.004 -0.000 3.061) 3.658 2.591 ( -2.484 -0.000 -2.027) 3.206 2.591 ( -2.484 -0.000 2.027) 3.206 2.716 ( -1.442 -0.000 -0.396) 1.496 2.716 ( -1.442 -0.000 0.396) 1.496 2.766 ( -1.819 -0.000 -0.222) 1.833 2.766 ( -1.819 -0.000 0.222) 1.833 2.884 ( -0.594 -0.000 -3.257) 3.310 2.884 ( -0.594 -0.000 3.257) 3.310 2.967 ( -0.607 -0.000 -5.788) 5.820 2.967 ( -0.607 -0.000 5.788) 5.820 2.983 ( 0.754 0.000 -4.279) 4.345 2.983 ( 0.754 0.000 4.279) 4.345 3.045 ( -0.292 -0.000 -2.882) 2.897 3.045 ( -0.292 -0.000 2.882) 2.897 3.063 ( -3.741 -0.000 -5.854) 6.948 3.063 ( -3.741 -0.000 5.854) 6.948 3.218 ( 0.744 0.000 -1.991) 2.126 3.218 ( 0.744 0.000 1.991) 2.126 3.312 ( -0.723 -0.000 -0.853) 1.119 3.312 ( -0.723 -0.000 0.853) 1.119 3.345 ( -0.110 -0.000 -0.136) 0.175 3.345 ( -0.110 -0.000 0.136) 0.175 3.382 ( -0.361 -0.000 -2.841) 2.863 3.382 ( -0.361 -0.000 2.841) 2.863 3.426 ( 4.346 0.000 -2.301) 4.918 3.426 ( 4.346 0.000 2.301) 4.918 3.491 ( 1.702 0.000 -1.046) 1.997 3.491 ( 1.702 0.000 1.046) 1.997 3.573 ( 0.535 0.000 -1.206) 1.319 3.573 ( 0.535 0.000 1.206) 1.319 3.656 ( -1.975 -0.000 -0.161) 1.982 3.656 ( -1.975 -0.000 0.161) 1.982 3.777 ( 6.758 0.000 -1.463) 6.914 3.777 ( 6.758 0.000 1.463) 6.914 3.929 ( -0.887 -0.000 -3.744) 3.848 3.929 ( -0.887 -0.000 3.744) 3.848 4.185 ( -1.512 -0.000 -0.140) 1.518 4.185 ( -1.512 -0.000 0.140) 1.518 4.638 ( 1.930 0.000 -0.260) 1.948 4.638 ( 1.930 0.000 0.260) 1.948 7.921 ( 0.393 0.000 -0.527) 0.658 7.921 ( 0.393 0.000 0.527) 0.658 8.430 ( 2.083 0.000 -6.151) 6.494 8.430 ( 2.083 0.000 6.151) 6.494 8.604 ( 3.723 0.000 -0.131) 3.725 8.604 ( 3.723 0.000 0.131) 3.725 8.735 ( -3.097 -0.000 -1.805) 3.585 8.735 ( -3.097 -0.000 1.805) 3.585 9.008 ( -0.730 -0.000 -1.724) 1.873 9.008 ( -0.730 -0.000 1.724) 1.873 9.059 ( -1.047 -0.000 -0.627) 1.220 9.059 ( -1.047 -0.000 0.627) 1.220 ======================= Grid point 196 (61/63) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 9.777 -4.027 -6.593) 12.461 1.035 ( 9.777 -4.027 6.593) 12.461 1.143 ( -5.698 -2.680 -2.525) 6.784 1.143 ( -5.698 -2.680 2.525) 6.784 1.268 ( 7.356 -2.411 -8.145) 11.237 1.268 ( 7.356 -2.411 8.145) 11.237 1.362 ( -5.806 -2.992 -10.569) 12.424 1.362 ( -5.806 -2.992 10.569) 12.424 1.512 ( 4.680 -1.828 -6.505) 8.220 1.512 ( 4.680 -1.828 6.505) 8.220 1.591 ( -5.974 -1.396 -4.125) 7.393 1.591 ( -5.974 -1.396 4.125) 7.393 1.671 ( 1.288 -2.801 -2.442) 3.932 1.671 ( 1.288 -2.801 2.442) 3.932 1.810 ( 3.459 -3.363 -4.624) 6.683 1.810 ( 3.459 -3.363 4.624) 6.683 1.834 ( -0.150 -3.857 -1.670) 4.205 1.834 ( -0.150 -3.857 1.670) 4.205 1.910 ( 1.356 -2.449 -1.063) 2.994 1.910 ( 1.356 -2.449 1.063) 2.994 2.031 ( -2.326 -3.708 -5.877) 7.328 2.031 ( -2.326 -3.708 5.877) 7.328 2.210 ( -0.339 2.587 -1.473) 2.997 2.210 ( -0.339 2.587 1.473) 2.997 2.266 ( 4.158 -1.699 -2.201) 5.002 2.266 ( 4.158 -1.699 2.201) 5.002 2.319 ( -3.429 -1.795 -5.051) 6.363 2.319 ( -3.429 -1.795 5.051) 6.363 2.418 ( 0.033 -4.971 -4.505) 6.709 2.418 ( 0.033 -4.971 4.505) 6.709 2.524 ( -3.193 1.831 -1.144) 3.854 2.524 ( -3.193 1.831 1.144) 3.854 2.591 ( -1.052 -1.145 -2.815) 3.216 2.591 ( -1.052 -1.145 2.815) 3.216 2.726 ( 0.538 0.093 -1.489) 1.586 2.726 ( 0.538 0.093 1.489) 1.586 2.772 ( -1.276 -2.887 -3.250) 4.530 2.772 ( -1.276 -2.887 3.250) 4.530 2.842 ( 0.251 3.646 -2.943) 4.692 2.842 ( 0.251 3.646 2.943) 4.692 2.952 ( -0.339 1.317 -3.290) 3.560 2.952 ( -0.339 1.317 3.290) 3.560 2.984 ( 2.234 0.260 -2.283) 3.205 2.984 ( 2.234 0.260 2.283) 3.205 3.026 ( -4.043 -0.037 -3.545) 5.377 3.026 ( -4.043 -0.037 3.545) 5.377 3.062 ( -0.325 -1.224 -4.157) 4.346 3.062 ( -0.325 -1.224 4.157) 4.346 3.206 ( 0.394 0.418 -1.727) 1.820 3.206 ( 0.394 0.418 1.727) 1.820 3.295 ( -0.405 1.218 -2.645) 2.940 3.295 ( -0.405 1.218 2.645) 2.940 3.364 ( 0.485 1.867 -3.771) 4.236 3.364 ( 0.485 1.867 3.771) 4.236 3.423 ( 0.107 -4.785 -1.646) 5.061 3.423 ( 0.107 -4.785 1.646) 5.061 3.477 ( 1.972 -2.768 -1.597) 3.755 3.477 ( 1.972 -2.768 1.597) 3.755 3.514 ( 0.859 -2.218 -2.552) 3.488 3.514 ( 0.859 -2.218 2.552) 3.488 3.583 ( -1.283 -1.345 -1.653) 2.487 3.583 ( -1.283 -1.345 1.653) 2.487 3.688 ( -0.346 -3.973 -2.108) 4.511 3.688 ( -0.346 -3.973 2.108) 4.511 3.818 ( 4.024 -0.546 -1.548) 4.346 3.818 ( 4.024 -0.546 1.548) 4.346 3.911 ( -0.969 1.129 -2.759) 3.135 3.911 ( -0.969 1.129 2.759) 3.135 4.188 ( -0.761 -1.037 -0.561) 1.403 4.188 ( -0.761 -1.037 0.561) 1.403 4.647 ( 0.938 0.028 -0.324) 0.993 4.647 ( 0.938 0.028 0.324) 0.993 7.929 ( 0.190 -0.537 -0.526) 0.775 7.929 ( 0.190 -0.537 0.526) 0.775 8.424 ( 1.052 1.648 -6.456) 6.746 8.424 ( 1.052 1.648 6.456) 6.746 8.629 ( 2.358 -0.443 -0.974) 2.589 8.629 ( 2.358 -0.443 0.974) 2.589 8.716 ( -2.255 -0.003 -3.925) 4.527 8.716 ( -2.255 -0.003 3.925) 4.527 9.007 ( -0.221 -0.143 -2.140) 2.156 9.007 ( -0.221 -0.143 2.140) 2.156 9.056 ( -0.476 -0.311 -0.488) 0.749 9.056 ( -0.476 -0.311 0.488) 0.749 ======================= Grid point 198 (62/63) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 0.000 -6.946 -4.328) 8.184 1.174 ( 0.000 -6.946 4.328) 8.184 1.205 ( 0.000 -6.246 -4.824) 7.892 1.205 ( 0.000 -6.246 4.824) 7.892 1.375 ( 0.000 -4.284 -6.743) 7.989 1.375 ( 0.000 -4.284 6.743) 7.989 1.384 ( 0.000 -4.195 -6.735) 7.935 1.384 ( 0.000 -4.195 6.735) 7.935 1.574 ( 0.000 -1.867 -5.954) 6.240 1.574 ( 0.000 -1.867 5.954) 6.240 1.610 ( 0.000 -4.077 -4.372) 5.978 1.610 ( 0.000 -4.077 4.372) 5.978 1.744 ( 0.000 -4.375 -2.458) 5.018 1.744 ( 0.000 -4.375 2.458) 5.018 1.864 ( 0.000 -1.013 -8.127) 8.190 1.864 ( 0.000 -1.013 8.127) 8.190 1.901 ( 0.000 -3.345 -4.690) 5.761 1.901 ( 0.000 -3.345 4.690) 5.761 1.974 ( 0.000 -3.021 -3.816) 4.867 1.974 ( 0.000 -3.021 3.816) 4.867 2.105 ( 0.000 -1.257 -1.664) 2.085 2.105 ( 0.000 -1.257 1.664) 2.085 2.146 ( -0.000 0.125 -3.633) 3.635 2.146 ( -0.000 0.125 3.633) 3.635 2.338 ( 0.000 -2.150 -4.312) 4.818 2.338 ( 0.000 -2.150 4.312) 4.818 2.351 ( 0.000 -3.197 -2.059) 3.803 2.351 ( 0.000 -3.197 2.059) 3.803 2.485 ( -0.000 0.298 -2.625) 2.641 2.485 ( -0.000 0.298 2.625) 2.641 2.528 ( 0.000 -6.115 -6.296) 8.777 2.528 ( 0.000 -6.115 6.296) 8.777 2.594 ( -0.000 0.945 -2.545) 2.715 2.594 ( -0.000 0.945 2.545) 2.715 2.722 ( 0.000 -0.383 -3.462) 3.484 2.722 ( 0.000 -0.383 3.462) 3.484 2.773 ( -0.000 2.304 -1.893) 2.982 2.773 ( -0.000 2.304 1.893) 2.982 2.853 ( 0.000 -4.321 -5.231) 6.785 2.853 ( 0.000 -4.321 5.231) 6.785 2.924 ( -0.000 1.143 -3.665) 3.839 2.924 ( -0.000 1.143 3.665) 3.839 3.005 ( 0.000 -1.438 -3.079) 3.398 3.005 ( 0.000 -1.438 3.079) 3.398 3.043 ( 0.000 -3.486 -1.488) 3.791 3.043 ( 0.000 -3.486 1.488) 3.791 3.088 ( 0.000 -1.742 -4.624) 4.941 3.088 ( 0.000 -1.742 4.624) 4.941 3.213 ( 0.000 -0.583 -2.924) 2.982 3.213 ( 0.000 -0.583 2.924) 2.982 3.258 ( -0.000 3.379 -2.922) 4.467 3.258 ( -0.000 3.379 2.922) 4.467 3.306 ( -0.000 3.312 -2.810) 4.343 3.306 ( -0.000 3.312 2.810) 4.343 3.483 ( 0.000 -1.638 -2.119) 2.679 3.483 ( 0.000 -1.638 2.119) 2.679 3.507 ( 0.000 -0.285 -3.132) 3.145 3.507 ( 0.000 -0.285 3.132) 3.145 3.604 ( 0.000 -5.382 -4.401) 6.953 3.604 ( 0.000 -5.382 4.401) 6.953 3.618 ( 0.000 -3.355 -3.383) 4.765 3.618 ( 0.000 -3.355 3.383) 4.765 3.752 ( 0.000 -2.195 -1.569) 2.698 3.752 ( 0.000 -2.195 1.569) 2.698 3.837 ( 0.000 -0.074 -0.755) 0.758 3.837 ( 0.000 -0.074 0.755) 0.758 3.901 ( 0.000 -1.078 -1.797) 2.096 3.901 ( 0.000 -1.078 1.797) 2.096 4.206 ( 0.000 -0.880 -0.969) 1.309 4.206 ( 0.000 -0.880 0.969) 1.309 4.644 ( -0.000 0.690 -0.436) 0.817 4.644 ( -0.000 0.690 0.436) 0.817 7.941 ( 0.000 -0.685 -0.478) 0.836 7.941 ( 0.000 -0.685 0.478) 0.836 8.385 ( -0.000 2.776 -5.926) 6.544 8.385 ( -0.000 2.776 5.926) 6.544 8.644 ( 0.000 -0.571 -1.814) 1.902 8.644 ( 0.000 -0.571 1.814) 1.902 8.717 ( 0.000 -0.689 -5.268) 5.313 8.717 ( 0.000 -0.689 5.268) 5.313 9.005 ( -0.000 0.279 -2.164) 2.182 9.005 ( -0.000 0.279 2.164) 2.182 9.068 ( 0.000 -1.117 -0.615) 1.275 9.068 ( 0.000 -1.117 0.615) 1.275 ======================= Grid point 216 (63/63) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 34 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( -0.000 -0.000 -8.048) 8.048 1.062 ( -0.000 -0.000 8.048) 8.048 1.071 ( 0.000 0.000 -5.105) 5.105 1.071 ( 0.000 0.000 5.105) 5.105 1.279 ( -0.000 -0.000 -13.486) 13.486 1.279 ( 0.000 0.000 13.486) 13.486 1.311 ( 0.000 0.000 -13.934) 13.934 1.311 ( -0.000 -0.000 13.934) 13.934 1.525 ( -0.000 -0.000 -10.319) 10.319 1.525 ( 0.000 0.000 10.319) 10.319 1.545 ( 0.000 0.000 -0.803) 0.803 1.545 ( 0.000 0.000 0.803) 0.803 1.654 ( 0.000 0.000 -3.887) 3.887 1.654 ( 0.000 0.000 3.887) 3.887 1.787 ( 0.000 0.000 -5.592) 5.592 1.787 ( 0.000 0.000 5.592) 5.592 1.799 ( 0.000 0.000 -8.520) 8.520 1.799 ( 0.000 0.000 8.520) 8.520 1.892 ( 0.000 0.000 -0.666) 0.666 1.892 ( -0.000 -0.000 0.666) 0.666 1.970 ( 0.000 0.000 -8.656) 8.656 1.970 ( 0.000 0.000 8.656) 8.656 2.229 ( 0.000 0.000 -1.666) 1.666 2.229 ( 0.000 0.000 1.666) 1.666 2.281 ( 0.000 0.000 -8.801) 8.801 2.281 ( 0.000 0.000 8.801) 8.801 2.281 ( -0.000 -0.000 -4.657) 4.657 2.281 ( -0.000 -0.000 4.657) 4.657 2.365 ( 0.000 0.000 -0.856) 0.856 2.365 ( 0.000 0.000 0.856) 0.856 2.536 ( 0.000 0.000 -0.484) 0.484 2.536 ( 0.000 0.000 0.484) 0.484 2.576 ( 0.000 0.000 -3.912) 3.912 2.576 ( 0.000 0.000 3.912) 3.912 2.730 ( 0.000 0.000 -0.777) 0.777 2.730 ( -0.000 -0.000 0.777) 0.777 2.737 ( 0.000 0.000 -1.004) 1.004 2.737 ( 0.000 0.000 1.004) 1.004 2.882 ( -0.000 -0.000 -2.999) 2.999 2.882 ( 0.000 0.000 2.999) 2.999 2.959 ( 0.000 0.000 -4.492) 4.492 2.959 ( 0.000 0.000 4.492) 4.492 3.007 ( 0.000 0.000 -6.392) 6.392 3.007 ( -0.000 -0.000 6.392) 6.392 3.017 ( 0.000 0.000 -4.714) 4.714 3.017 ( 0.000 0.000 4.714) 4.714 3.049 ( 0.000 0.000 -4.371) 4.371 3.049 ( 0.000 0.000 4.371) 4.371 3.225 ( 0.000 0.000 -1.362) 1.362 3.225 ( 0.000 0.000 1.362) 1.362 3.306 ( 0.000 0.000 -0.599) 0.599 3.306 ( 0.000 0.000 0.599) 0.599 3.345 ( 0.000 0.000 -0.328) 0.328 3.345 ( 0.000 0.000 0.328) 0.328 3.379 ( 0.000 0.000 -3.232) 3.232 3.379 ( 0.000 0.000 3.232) 3.232 3.464 ( -0.000 -0.000 -0.543) 0.543 3.464 ( 0.000 0.000 0.543) 0.543 3.492 ( 0.000 0.000 -4.144) 4.144 3.492 ( 0.000 0.000 4.144) 4.144 3.577 ( 0.000 0.000 -1.237) 1.237 3.577 ( 0.000 0.000 1.237) 1.237 3.641 ( 0.000 0.000 -1.060) 1.060 3.641 ( 0.000 0.000 1.060) 1.060 3.826 ( 0.000 0.000 -2.234) 2.234 3.826 ( 0.000 0.000 2.234) 2.234 3.920 ( 0.000 0.000 -2.802) 2.802 3.920 ( -0.000 -0.000 2.802) 2.802 4.174 ( 0.000 0.000 -0.222) 0.222 4.174 ( 0.000 0.000 0.222) 0.222 4.650 ( 0.000 0.000 -0.323) 0.323 4.650 ( 0.000 0.000 0.323) 0.323 7.924 ( 0.000 0.000 -0.527) 0.527 7.924 ( 0.000 0.000 0.527) 0.527 8.443 ( 0.000 0.000 -6.040) 6.040 8.443 ( 0.000 0.000 6.040) 6.040 8.635 ( 0.000 0.000 -1.623) 1.623 8.635 ( 0.000 0.000 1.623) 1.623 8.707 ( -0.000 -0.000 -3.164) 3.164 8.707 ( 0.000 0.000 3.164) 3.164 9.003 ( 0.000 0.000 -1.478) 1.478 9.003 ( 0.000 0.000 1.478) 1.478 9.053 ( 0.000 0.000 -1.184) 1.184 9.053 ( 0.000 0.000 1.184) 1.184 =================== 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 3/21504 10.0 291.457 198.142 198.763 0.000 0.000 0.000 3/21504 20.0 36.778 33.520 31.531 0.000 0.000 0.000 3/21504 30.0 14.159 13.622 12.856 0.000 0.000 0.000 3/21504 40.0 8.244 8.080 7.731 0.000 0.000 0.000 3/21504 50.0 5.798 5.734 5.544 0.000 0.000 0.000 3/21504 60.0 4.499 4.474 4.359 0.000 0.000 0.000 3/21504 70.0 3.695 3.693 3.617 0.000 0.000 0.000 3/21504 80.0 3.148 3.161 3.110 0.000 0.000 0.000 3/21504 90.0 2.750 2.774 2.739 0.000 0.000 0.000 3/21504 100.0 2.446 2.478 2.455 0.000 0.000 0.000 3/21504 110.0 2.205 2.244 2.229 0.000 0.000 0.000 3/21504 120.0 2.010 2.053 2.044 0.000 0.000 0.000 3/21504 130.0 1.848 1.894 1.890 0.000 0.000 0.000 3/21504 140.0 1.710 1.759 1.758 0.000 0.000 0.000 3/21504 150.0 1.593 1.643 1.645 0.000 0.000 0.000 3/21504 160.0 1.491 1.542 1.545 0.000 0.000 0.000 3/21504 170.0 1.401 1.452 1.458 0.000 0.000 0.000 3/21504 180.0 1.322 1.373 1.380 0.000 0.000 0.000 3/21504 190.0 1.251 1.302 1.310 0.000 0.000 0.000 3/21504 200.0 1.188 1.239 1.247 0.000 0.000 0.000 3/21504 210.0 1.131 1.181 1.189 0.000 0.000 0.000 3/21504 220.0 1.079 1.128 1.137 0.000 0.000 0.000 3/21504 230.0 1.032 1.080 1.089 0.000 0.000 0.000 3/21504 240.0 0.989 1.036 1.045 0.000 0.000 0.000 3/21504 250.0 0.949 0.995 1.005 0.000 0.000 0.000 3/21504 260.0 0.912 0.958 0.967 0.000 0.000 0.000 3/21504 270.0 0.878 0.923 0.933 0.000 0.000 0.000 3/21504 280.0 0.847 0.891 0.900 0.000 0.000 0.000 3/21504 290.0 0.818 0.860 0.870 0.000 0.000 0.000 3/21504 300.0 0.790 0.832 0.842 0.000 0.000 0.000 3/21504 310.0 0.765 0.806 0.815 0.000 0.000 0.000 3/21504 320.0 0.741 0.781 0.790 0.000 0.000 0.000 3/21504 330.0 0.718 0.758 0.767 0.000 0.000 0.000 3/21504 340.0 0.697 0.736 0.745 0.000 0.000 0.000 3/21504 350.0 0.677 0.715 0.724 0.000 0.000 0.000 3/21504 360.0 0.659 0.695 0.704 0.000 0.000 0.000 3/21504 370.0 0.641 0.677 0.686 0.000 0.000 0.000 3/21504 380.0 0.624 0.659 0.668 0.000 0.000 0.000 3/21504 390.0 0.608 0.642 0.651 0.000 0.000 0.000 3/21504 400.0 0.593 0.627 0.635 0.000 0.000 0.000 3/21504 410.0 0.578 0.611 0.620 0.000 0.000 0.000 3/21504 420.0 0.564 0.597 0.605 0.000 0.000 0.000 3/21504 430.0 0.551 0.583 0.591 0.000 0.000 0.000 3/21504 440.0 0.539 0.570 0.578 0.000 0.000 0.000 3/21504 450.0 0.527 0.558 0.566 0.000 0.000 0.000 3/21504 460.0 0.515 0.546 0.553 0.000 0.000 0.000 3/21504 470.0 0.504 0.534 0.542 0.000 0.000 0.000 3/21504 480.0 0.494 0.523 0.531 0.000 0.000 0.000 3/21504 490.0 0.484 0.512 0.520 0.000 0.000 0.000 3/21504 500.0 0.474 0.502 0.510 0.000 0.000 0.000 3/21504 510.0 0.465 0.493 0.500 0.000 0.000 0.000 3/21504 520.0 0.456 0.483 0.490 0.000 0.000 0.000 3/21504 530.0 0.447 0.474 0.481 0.000 0.000 0.000 3/21504 540.0 0.439 0.465 0.472 0.000 0.000 0.000 3/21504 550.0 0.431 0.457 0.464 0.000 0.000 0.000 3/21504 560.0 0.423 0.449 0.456 0.000 0.000 0.000 3/21504 570.0 0.416 0.441 0.448 0.000 0.000 0.000 3/21504 580.0 0.409 0.433 0.440 0.000 0.000 0.000 3/21504 590.0 0.402 0.426 0.433 0.000 0.000 0.000 3/21504 600.0 0.395 0.419 0.426 0.000 0.000 0.000 3/21504 610.0 0.389 0.412 0.419 0.000 0.000 0.000 3/21504 620.0 0.382 0.406 0.412 0.000 0.000 0.000 3/21504 630.0 0.376 0.399 0.405 0.000 0.000 0.000 3/21504 640.0 0.371 0.393 0.399 0.000 0.000 0.000 3/21504 650.0 0.365 0.387 0.393 0.000 0.000 0.000 3/21504 660.0 0.359 0.381 0.387 0.000 0.000 0.000 3/21504 670.0 0.354 0.376 0.381 0.000 0.000 0.000 3/21504 680.0 0.349 0.370 0.376 0.000 0.000 0.000 3/21504 690.0 0.344 0.365 0.370 0.000 0.000 0.000 3/21504 700.0 0.339 0.360 0.365 0.000 0.000 0.000 3/21504 710.0 0.334 0.354 0.360 0.000 0.000 0.000 3/21504 720.0 0.329 0.350 0.355 0.000 0.000 0.000 3/21504 730.0 0.325 0.345 0.350 0.000 0.000 0.000 3/21504 740.0 0.320 0.340 0.346 0.000 0.000 0.000 3/21504 750.0 0.316 0.336 0.341 0.000 0.000 0.000 3/21504 760.0 0.312 0.331 0.337 0.000 0.000 0.000 3/21504 770.0 0.308 0.327 0.332 0.000 0.000 0.000 3/21504 780.0 0.304 0.323 0.328 0.000 0.000 0.000 3/21504 790.0 0.300 0.319 0.324 0.000 0.000 0.000 3/21504 800.0 0.296 0.315 0.320 0.000 0.000 0.000 3/21504 810.0 0.293 0.311 0.316 0.000 0.000 0.000 3/21504 820.0 0.289 0.307 0.312 0.000 0.000 0.000 3/21504 830.0 0.286 0.303 0.308 0.000 0.000 0.000 3/21504 840.0 0.282 0.300 0.305 0.000 0.000 0.000 3/21504 850.0 0.279 0.296 0.301 0.000 0.000 0.000 3/21504 860.0 0.276 0.293 0.298 0.000 0.000 0.000 3/21504 870.0 0.273 0.290 0.294 0.000 0.000 0.000 3/21504 880.0 0.270 0.286 0.291 0.000 0.000 0.000 3/21504 890.0 0.266 0.283 0.288 0.000 0.000 0.000 3/21504 900.0 0.264 0.280 0.284 0.000 0.000 0.000 3/21504 910.0 0.261 0.277 0.281 0.000 0.000 0.000 3/21504 920.0 0.258 0.274 0.278 0.000 0.000 0.000 3/21504 930.0 0.255 0.271 0.275 0.000 0.000 0.000 3/21504 940.0 0.252 0.268 0.272 0.000 0.000 0.000 3/21504 950.0 0.250 0.265 0.270 0.000 0.000 0.000 3/21504 960.0 0.247 0.262 0.267 0.000 0.000 0.000 3/21504 970.0 0.245 0.260 0.264 0.000 0.000 0.000 3/21504 980.0 0.242 0.257 0.261 0.000 0.000 0.000 3/21504 990.0 0.240 0.255 0.259 0.000 0.000 0.000 3/21504 1000.0 0.237 0.252 0.256 0.000 0.000 0.000 3/21504 Thermal conductivity related properties were written into "kappa-m884.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:42:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|