----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:11:34]------------------------- 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: [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.216997319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.696752609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.423605309999997 Atomic positions (fractional): *1 S 0.50736066193049 0.25000000000000 0.38907015522452 32.065 2 S 0.49263933806951 0.75000000000000 0.61092984477548 32.065 3 S 0.00736066193049 0.25000000000000 0.11092984477548 32.065 4 S 0.99263933806951 0.75000000000000 0.88907015522452 32.065 *5 S 0.83058240334148 0.75000000000000 0.48496231494639 32.065 6 S 0.16941759665852 0.25000000000000 0.51503768505361 32.065 7 S 0.33058240334148 0.75000000000000 0.01503768505361 32.065 8 S 0.66941759665852 0.25000000000000 0.98496231494639 32.065 *9 S 0.72671942865211 0.75000000000000 0.21800263076731 32.065 10 S 0.27328057134789 0.25000000000000 0.78199736923269 32.065 11 S 0.22671942865211 0.75000000000000 0.28199736923269 32.065 12 S 0.77328057134789 0.25000000000000 0.71800263076731 32.065 *13 Zr 0.66345287258912 0.25000000000000 0.54630982634227 91.224 14 Zr 0.33654712741088 0.75000000000000 0.45369017365773 91.224 15 Zr 0.16345287258912 0.25000000000000 0.95369017365773 91.224 16 Zr 0.83654712741088 0.75000000000000 0.04630982634227 91.224 *17 Sn 0.96019430365689 0.75000000000000 0.66828918005024 118.710 18 Sn 0.03980569634311 0.25000000000000 0.33171081994976 118.710 19 Sn 0.46019430365689 0.75000000000000 0.83171081994976 118.710 20 Sn 0.53980569634311 0.25000000000000 0.16828918005024 118.710 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.216997319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.696752609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.423605309999997 Atomic positions (fractional): *1 S 0.50736066193049 0.25000000000000 0.38907015522452 32.065 > 1 2 S 0.49263933806951 0.75000000000000 0.61092984477548 32.065 > 2 3 S 0.00736066193049 0.25000000000000 0.11092984477548 32.065 > 3 4 S 0.99263933806951 0.75000000000000 0.88907015522452 32.065 > 4 *5 S 0.83058240334148 0.75000000000000 0.48496231494639 32.065 > 5 6 S 0.16941759665852 0.25000000000000 0.51503768505361 32.065 > 6 7 S 0.33058240334148 0.75000000000000 0.01503768505361 32.065 > 7 8 S 0.66941759665852 0.25000000000000 0.98496231494639 32.065 > 8 *9 S 0.72671942865211 0.75000000000000 0.21800263076731 32.065 > 9 10 S 0.27328057134789 0.25000000000000 0.78199736923269 32.065 > 10 11 S 0.22671942865211 0.75000000000000 0.28199736923269 32.065 > 11 12 S 0.77328057134789 0.25000000000000 0.71800263076731 32.065 > 12 *13 Zr 0.66345287258912 0.25000000000000 0.54630982634227 91.224 > 13 14 Zr 0.33654712741088 0.75000000000000 0.45369017365773 91.224 > 14 15 Zr 0.16345287258912 0.25000000000000 0.95369017365773 91.224 > 15 16 Zr 0.83654712741088 0.75000000000000 0.04630982634227 91.224 > 16 *17 Sn 0.96019430365689 0.75000000000000 0.66828918005024 118.710 > 17 18 Sn 0.03980569634311 0.25000000000000 0.33171081994976 118.710 > 18 19 Sn 0.46019430365689 0.75000000000000 0.83171081994976 118.710 > 19 20 Sn 0.53980569634311 0.25000000000000 0.16828918005024 118.710 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.433994639999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.090257829999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.423605309999997 Atomic positions (fractional): *1 S 0.25368033096524 0.08333333333333 0.38907015522452 32.065 > 1 2 S 0.75368033096524 0.08333333333333 0.38907015522452 32.065 > 1 3 S 0.25368033096524 0.41666666666667 0.38907015522452 32.065 > 1 4 S 0.75368033096524 0.41666666666667 0.38907015522452 32.065 > 1 5 S 0.25368033096524 0.75000000000000 0.38907015522452 32.065 > 1 6 S 0.75368033096524 0.75000000000000 0.38907015522452 32.065 > 1 7 S 0.24631966903476 0.25000000000000 0.61092984477548 32.065 > 2 8 S 0.74631966903476 0.25000000000000 0.61092984477548 32.065 > 2 9 S 0.24631966903476 0.58333333333333 0.61092984477548 32.065 > 2 10 S 0.74631966903476 0.58333333333333 0.61092984477548 32.065 > 2 11 S 0.24631966903476 0.91666666666667 0.61092984477548 32.065 > 2 12 S 0.74631966903476 0.91666666666667 0.61092984477548 32.065 > 2 13 S 0.00368033096524 0.08333333333333 0.11092984477548 32.065 > 3 14 S 0.50368033096524 0.08333333333333 0.11092984477548 32.065 > 3 15 S 0.00368033096524 0.41666666666667 0.11092984477548 32.065 > 3 16 S 0.50368033096524 0.41666666666667 0.11092984477548 32.065 > 3 17 S 0.00368033096524 0.75000000000000 0.11092984477548 32.065 > 3 18 S 0.50368033096524 0.75000000000000 0.11092984477548 32.065 > 3 19 S 0.49631966903476 0.25000000000000 0.88907015522452 32.065 > 4 20 S 0.99631966903476 0.25000000000000 0.88907015522452 32.065 > 4 21 S 0.49631966903476 0.58333333333333 0.88907015522452 32.065 > 4 22 S 0.99631966903476 0.58333333333333 0.88907015522452 32.065 > 4 23 S 0.49631966903476 0.91666666666667 0.88907015522452 32.065 > 4 24 S 0.99631966903476 0.91666666666667 0.88907015522452 32.065 > 4 *25 S 0.41529120167074 0.25000000000000 0.48496231494639 32.065 > 5 26 S 0.91529120167074 0.25000000000000 0.48496231494639 32.065 > 5 27 S 0.41529120167074 0.58333333333333 0.48496231494639 32.065 > 5 28 S 0.91529120167074 0.58333333333333 0.48496231494639 32.065 > 5 29 S 0.41529120167074 0.91666666666667 0.48496231494639 32.065 > 5 30 S 0.91529120167074 0.91666666666667 0.48496231494639 32.065 > 5 31 S 0.08470879832926 0.08333333333333 0.51503768505361 32.065 > 6 32 S 0.58470879832926 0.08333333333333 0.51503768505361 32.065 > 6 33 S 0.08470879832926 0.41666666666667 0.51503768505361 32.065 > 6 34 S 0.58470879832926 0.41666666666667 0.51503768505361 32.065 > 6 35 S 0.08470879832926 0.75000000000000 0.51503768505361 32.065 > 6 36 S 0.58470879832926 0.75000000000000 0.51503768505361 32.065 > 6 37 S 0.16529120167074 0.25000000000000 0.01503768505361 32.065 > 7 38 S 0.66529120167074 0.25000000000000 0.01503768505361 32.065 > 7 39 S 0.16529120167074 0.58333333333333 0.01503768505361 32.065 > 7 40 S 0.66529120167074 0.58333333333333 0.01503768505361 32.065 > 7 41 S 0.16529120167074 0.91666666666667 0.01503768505361 32.065 > 7 42 S 0.66529120167074 0.91666666666667 0.01503768505361 32.065 > 7 43 S 0.33470879832926 0.08333333333333 0.98496231494639 32.065 > 8 44 S 0.83470879832926 0.08333333333333 0.98496231494639 32.065 > 8 45 S 0.33470879832926 0.41666666666667 0.98496231494639 32.065 > 8 46 S 0.83470879832926 0.41666666666667 0.98496231494639 32.065 > 8 47 S 0.33470879832926 0.75000000000000 0.98496231494639 32.065 > 8 48 S 0.83470879832926 0.75000000000000 0.98496231494639 32.065 > 8 *49 S 0.36335971432605 0.25000000000000 0.21800263076731 32.065 > 9 50 S 0.86335971432605 0.25000000000000 0.21800263076731 32.065 > 9 51 S 0.36335971432605 0.58333333333333 0.21800263076731 32.065 > 9 52 S 0.86335971432605 0.58333333333333 0.21800263076731 32.065 > 9 53 S 0.36335971432605 0.91666666666667 0.21800263076731 32.065 > 9 54 S 0.86335971432605 0.91666666666667 0.21800263076731 32.065 > 9 55 S 0.13664028567395 0.08333333333333 0.78199736923269 32.065 > 10 56 S 0.63664028567395 0.08333333333333 0.78199736923269 32.065 > 10 57 S 0.13664028567395 0.41666666666667 0.78199736923269 32.065 > 10 58 S 0.63664028567395 0.41666666666667 0.78199736923269 32.065 > 10 59 S 0.13664028567395 0.75000000000000 0.78199736923269 32.065 > 10 60 S 0.63664028567395 0.75000000000000 0.78199736923269 32.065 > 10 61 S 0.11335971432605 0.25000000000000 0.28199736923269 32.065 > 11 62 S 0.61335971432605 0.25000000000000 0.28199736923269 32.065 > 11 63 S 0.11335971432605 0.58333333333333 0.28199736923269 32.065 > 11 64 S 0.61335971432605 0.58333333333333 0.28199736923269 32.065 > 11 65 S 0.11335971432605 0.91666666666667 0.28199736923269 32.065 > 11 66 S 0.61335971432605 0.91666666666667 0.28199736923269 32.065 > 11 67 S 0.38664028567395 0.08333333333333 0.71800263076731 32.065 > 12 68 S 0.88664028567395 0.08333333333333 0.71800263076731 32.065 > 12 69 S 0.38664028567395 0.41666666666667 0.71800263076731 32.065 > 12 70 S 0.88664028567395 0.41666666666667 0.71800263076731 32.065 > 12 71 S 0.38664028567395 0.75000000000000 0.71800263076731 32.065 > 12 72 S 0.88664028567395 0.75000000000000 0.71800263076731 32.065 > 12 *73 Zr 0.33172643629456 0.08333333333333 0.54630982634227 91.224 > 13 74 Zr 0.83172643629456 0.08333333333333 0.54630982634227 91.224 > 13 75 Zr 0.33172643629456 0.41666666666667 0.54630982634227 91.224 > 13 76 Zr 0.83172643629456 0.41666666666667 0.54630982634227 91.224 > 13 77 Zr 0.33172643629456 0.75000000000000 0.54630982634227 91.224 > 13 78 Zr 0.83172643629456 0.75000000000000 0.54630982634227 91.224 > 13 79 Zr 0.16827356370544 0.25000000000000 0.45369017365773 91.224 > 14 80 Zr 0.66827356370544 0.25000000000000 0.45369017365773 91.224 > 14 81 Zr 0.16827356370544 0.58333333333333 0.45369017365773 91.224 > 14 82 Zr 0.66827356370544 0.58333333333333 0.45369017365773 91.224 > 14 83 Zr 0.16827356370544 0.91666666666667 0.45369017365773 91.224 > 14 84 Zr 0.66827356370544 0.91666666666667 0.45369017365773 91.224 > 14 85 Zr 0.08172643629456 0.08333333333333 0.95369017365773 91.224 > 15 86 Zr 0.58172643629456 0.08333333333333 0.95369017365773 91.224 > 15 87 Zr 0.08172643629456 0.41666666666667 0.95369017365773 91.224 > 15 88 Zr 0.58172643629456 0.41666666666667 0.95369017365773 91.224 > 15 89 Zr 0.08172643629456 0.75000000000000 0.95369017365773 91.224 > 15 90 Zr 0.58172643629456 0.75000000000000 0.95369017365773 91.224 > 15 91 Zr 0.41827356370544 0.25000000000000 0.04630982634227 91.224 > 16 92 Zr 0.91827356370544 0.25000000000000 0.04630982634227 91.224 > 16 93 Zr 0.41827356370544 0.58333333333333 0.04630982634227 91.224 > 16 94 Zr 0.91827356370544 0.58333333333333 0.04630982634227 91.224 > 16 95 Zr 0.41827356370544 0.91666666666667 0.04630982634227 91.224 > 16 96 Zr 0.91827356370544 0.91666666666667 0.04630982634227 91.224 > 16 *97 Sn 0.48009715182844 0.25000000000000 0.66828918005024 118.710 > 17 98 Sn 0.98009715182844 0.25000000000000 0.66828918005024 118.710 > 17 99 Sn 0.48009715182844 0.58333333333333 0.66828918005024 118.710 > 17 100 Sn 0.98009715182844 0.58333333333333 0.66828918005024 118.710 > 17 101 Sn 0.48009715182844 0.91666666666667 0.66828918005024 118.710 > 17 102 Sn 0.98009715182844 0.91666666666667 0.66828918005024 118.710 > 17 103 Sn 0.01990284817156 0.08333333333333 0.33171081994976 118.710 > 18 104 Sn 0.51990284817156 0.08333333333333 0.33171081994976 118.710 > 18 105 Sn 0.01990284817156 0.41666666666667 0.33171081994976 118.710 > 18 106 Sn 0.51990284817156 0.41666666666667 0.33171081994976 118.710 > 18 107 Sn 0.01990284817156 0.75000000000000 0.33171081994976 118.710 > 18 108 Sn 0.51990284817156 0.75000000000000 0.33171081994976 118.710 > 18 109 Sn 0.23009715182844 0.25000000000000 0.83171081994976 118.710 > 19 110 Sn 0.73009715182844 0.25000000000000 0.83171081994976 118.710 > 19 111 Sn 0.23009715182844 0.58333333333333 0.83171081994976 118.710 > 19 112 Sn 0.73009715182844 0.58333333333333 0.83171081994976 118.710 > 19 113 Sn 0.23009715182844 0.91666666666667 0.83171081994976 118.710 > 19 114 Sn 0.73009715182844 0.91666666666667 0.83171081994976 118.710 > 19 115 Sn 0.26990284817156 0.08333333333333 0.16828918005024 118.710 > 20 116 Sn 0.76990284817156 0.08333333333333 0.16828918005024 118.710 > 20 117 Sn 0.26990284817156 0.41666666666667 0.16828918005024 118.710 > 20 118 Sn 0.76990284817156 0.41666666666667 0.16828918005024 118.710 > 20 119 Sn 0.26990284817156 0.75000000000000 0.16828918005024 118.710 > 20 120 Sn 0.76990284817156 0.75000000000000 0.16828918005024 118.710 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.1739749 0.0000000 0.0000000 0.0000000 12.8176420 0.0000000 0.0000000 0.0000000 10.2121264 -------------------------- Born effective charges -------------------------- 1 S -2.9803172 0.0000000 -0.2395834 0.0000000 -3.7993107 0.0000000 -0.3862000 0.0000000 -2.7559246 2 S -2.9803172 0.0000000 -0.2395834 0.0000000 -3.7993107 0.0000000 -0.3862000 0.0000000 -2.7559246 3 S -2.9803172 0.0000000 0.2395834 0.0000000 -3.7993107 0.0000000 0.3862000 0.0000000 -2.7559246 4 S -2.9803172 0.0000000 0.2395834 0.0000000 -3.7993107 0.0000000 0.3862000 0.0000000 -2.7559246 5 S -2.6138379 0.0000000 0.6471042 0.0000000 -4.4859776 0.0000000 -0.1618017 0.0000000 -1.7098971 6 S -2.6138379 0.0000000 0.6471042 0.0000000 -4.4859776 0.0000000 -0.1618017 0.0000000 -1.7098971 7 S -2.6138379 0.0000000 -0.6471042 0.0000000 -4.4859776 0.0000000 0.1618017 0.0000000 -1.7098971 8 S -2.6138379 0.0000000 -0.6471042 0.0000000 -4.4859776 0.0000000 0.1618017 0.0000000 -1.7098971 9 S -2.4316746 0.0000000 0.9043398 0.0000000 -2.4057769 0.0000000 0.4814447 0.0000000 -1.8760231 10 S -2.4316746 0.0000000 0.9043398 0.0000000 -2.4057769 0.0000000 0.4814447 0.0000000 -1.8760231 11 S -2.4316746 0.0000000 -0.9043398 0.0000000 -2.4057769 0.0000000 -0.4814447 0.0000000 -1.8760231 12 S -2.4316746 0.0000000 -0.9043398 0.0000000 -2.4057769 0.0000000 -0.4814447 0.0000000 -1.8760231 13 Zr 5.1665688 0.0000000 1.3447148 0.0000000 7.5622453 0.0000000 1.1115259 0.0000000 3.0456837 14 Zr 5.1665688 0.0000000 1.3447148 0.0000000 7.5622453 0.0000000 1.1115259 0.0000000 3.0456837 15 Zr 5.1665688 0.0000000 -1.3447148 0.0000000 7.5622453 0.0000000 -1.1115259 0.0000000 3.0456837 16 Zr 5.1665688 0.0000000 -1.3447148 0.0000000 7.5622453 0.0000000 -1.1115259 0.0000000 3.0456837 17 Sn 2.8592608 0.0000000 0.2844561 0.0000000 3.1288198 0.0000000 0.6123377 0.0000000 3.2961611 18 Sn 2.8592608 0.0000000 0.2844561 0.0000000 3.1288198 0.0000000 0.6123377 0.0000000 3.2961611 19 Sn 2.8592608 0.0000000 -0.2844561 0.0000000 3.1288198 0.0000000 -0.6123377 0.0000000 3.2961611 20 Sn 2.8592608 0.0000000 -0.2844561 0.0000000 3.1288198 0.0000000 -0.6123377 0.0000000 3.2961611 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 2.331 Solver_block: 200 / 320 - Time: 2.452 Solver_block: 300 / 320 - Time: 2.299 Solver_block: 320 / 320 - Time: 0.571 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.749 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1490 Number of blocks in projector: 1490 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: 400 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 230 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 200 Use standard eigh solver. Tree of FC basis block matrices: - (1490, 1465), data: False |-- (200, 200), data: True |-- (200, 200), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (230, 225), data: True |-- (400, 390), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:12:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:12:06]------------------------- 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): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.216997319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.696752609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.423605309999997 Atomic positions (fractional): 1 S 0.50736066193049 0.25000000000000 0.38907015522452 32.065 2 S 0.49263933806951 0.75000000000000 0.61092984477548 32.065 3 S 0.00736066193049 0.25000000000000 0.11092984477548 32.065 4 S 0.99263933806951 0.75000000000000 0.88907015522452 32.065 5 S 0.83058240334148 0.75000000000000 0.48496231494639 32.065 6 S 0.16941759665852 0.25000000000000 0.51503768505361 32.065 7 S 0.33058240334148 0.75000000000000 0.01503768505361 32.065 8 S 0.66941759665852 0.25000000000000 0.98496231494639 32.065 9 S 0.72671942865211 0.75000000000000 0.21800263076731 32.065 10 S 0.27328057134789 0.25000000000000 0.78199736923269 32.065 11 S 0.22671942865211 0.75000000000000 0.28199736923269 32.065 12 S 0.77328057134789 0.25000000000000 0.71800263076731 32.065 13 Zr 0.66345287258912 0.25000000000000 0.54630982634227 91.224 14 Zr 0.33654712741088 0.75000000000000 0.45369017365773 91.224 15 Zr 0.16345287258912 0.25000000000000 0.95369017365773 91.224 16 Zr 0.83654712741088 0.75000000000000 0.04630982634227 91.224 17 Sn 0.96019430365689 0.75000000000000 0.66828918005024 118.710 18 Sn 0.03980569634311 0.25000000000000 0.33171081994976 118.710 19 Sn 0.46019430365689 0.75000000000000 0.83171081994976 118.710 20 Sn 0.53980569634311 0.25000000000000 0.16828918005024 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.433994639999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.090257829999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.423605309999997 Atomic positions (fractional): 1 S 0.25368033096524 0.08333333333333 0.38907015522452 32.065 > 1 2 S 0.75368033096524 0.08333333333333 0.38907015522452 32.065 > 1 3 S 0.25368033096524 0.41666666666667 0.38907015522452 32.065 > 1 4 S 0.75368033096524 0.41666666666667 0.38907015522452 32.065 > 1 5 S 0.25368033096524 0.75000000000000 0.38907015522452 32.065 > 1 6 S 0.75368033096524 0.75000000000000 0.38907015522452 32.065 > 1 7 S 0.24631966903476 0.25000000000000 0.61092984477548 32.065 > 7 8 S 0.74631966903476 0.25000000000000 0.61092984477548 32.065 > 7 9 S 0.24631966903476 0.58333333333333 0.61092984477548 32.065 > 7 10 S 0.74631966903476 0.58333333333333 0.61092984477548 32.065 > 7 11 S 0.24631966903476 0.91666666666667 0.61092984477548 32.065 > 7 12 S 0.74631966903476 0.91666666666667 0.61092984477548 32.065 > 7 13 S 0.00368033096524 0.08333333333333 0.11092984477548 32.065 > 13 14 S 0.50368033096524 0.08333333333333 0.11092984477548 32.065 > 13 15 S 0.00368033096524 0.41666666666667 0.11092984477548 32.065 > 13 16 S 0.50368033096524 0.41666666666667 0.11092984477548 32.065 > 13 17 S 0.00368033096524 0.75000000000000 0.11092984477548 32.065 > 13 18 S 0.50368033096524 0.75000000000000 0.11092984477548 32.065 > 13 19 S 0.49631966903476 0.25000000000000 0.88907015522452 32.065 > 19 20 S 0.99631966903476 0.25000000000000 0.88907015522452 32.065 > 19 21 S 0.49631966903476 0.58333333333333 0.88907015522452 32.065 > 19 22 S 0.99631966903476 0.58333333333333 0.88907015522452 32.065 > 19 23 S 0.49631966903476 0.91666666666667 0.88907015522452 32.065 > 19 24 S 0.99631966903476 0.91666666666667 0.88907015522452 32.065 > 19 25 S 0.41529120167074 0.25000000000000 0.48496231494639 32.065 > 25 26 S 0.91529120167074 0.25000000000000 0.48496231494639 32.065 > 25 27 S 0.41529120167074 0.58333333333333 0.48496231494639 32.065 > 25 28 S 0.91529120167074 0.58333333333333 0.48496231494639 32.065 > 25 29 S 0.41529120167074 0.91666666666667 0.48496231494639 32.065 > 25 30 S 0.91529120167074 0.91666666666667 0.48496231494639 32.065 > 25 31 S 0.08470879832926 0.08333333333333 0.51503768505361 32.065 > 31 32 S 0.58470879832926 0.08333333333333 0.51503768505361 32.065 > 31 33 S 0.08470879832926 0.41666666666667 0.51503768505361 32.065 > 31 34 S 0.58470879832926 0.41666666666667 0.51503768505361 32.065 > 31 35 S 0.08470879832926 0.75000000000000 0.51503768505361 32.065 > 31 36 S 0.58470879832926 0.75000000000000 0.51503768505361 32.065 > 31 37 S 0.16529120167074 0.25000000000000 0.01503768505361 32.065 > 37 38 S 0.66529120167074 0.25000000000000 0.01503768505361 32.065 > 37 39 S 0.16529120167074 0.58333333333333 0.01503768505361 32.065 > 37 40 S 0.66529120167074 0.58333333333333 0.01503768505361 32.065 > 37 41 S 0.16529120167074 0.91666666666667 0.01503768505361 32.065 > 37 42 S 0.66529120167074 0.91666666666667 0.01503768505361 32.065 > 37 43 S 0.33470879832926 0.08333333333333 0.98496231494639 32.065 > 43 44 S 0.83470879832926 0.08333333333333 0.98496231494639 32.065 > 43 45 S 0.33470879832926 0.41666666666667 0.98496231494639 32.065 > 43 46 S 0.83470879832926 0.41666666666667 0.98496231494639 32.065 > 43 47 S 0.33470879832926 0.75000000000000 0.98496231494639 32.065 > 43 48 S 0.83470879832926 0.75000000000000 0.98496231494639 32.065 > 43 49 S 0.36335971432605 0.25000000000000 0.21800263076731 32.065 > 49 50 S 0.86335971432605 0.25000000000000 0.21800263076731 32.065 > 49 51 S 0.36335971432605 0.58333333333333 0.21800263076731 32.065 > 49 52 S 0.86335971432605 0.58333333333333 0.21800263076731 32.065 > 49 53 S 0.36335971432605 0.91666666666667 0.21800263076731 32.065 > 49 54 S 0.86335971432605 0.91666666666667 0.21800263076731 32.065 > 49 55 S 0.13664028567395 0.08333333333333 0.78199736923269 32.065 > 55 56 S 0.63664028567395 0.08333333333333 0.78199736923269 32.065 > 55 57 S 0.13664028567395 0.41666666666667 0.78199736923269 32.065 > 55 58 S 0.63664028567395 0.41666666666667 0.78199736923269 32.065 > 55 59 S 0.13664028567395 0.75000000000000 0.78199736923269 32.065 > 55 60 S 0.63664028567395 0.75000000000000 0.78199736923269 32.065 > 55 61 S 0.11335971432605 0.25000000000000 0.28199736923269 32.065 > 61 62 S 0.61335971432605 0.25000000000000 0.28199736923269 32.065 > 61 63 S 0.11335971432605 0.58333333333333 0.28199736923269 32.065 > 61 64 S 0.61335971432605 0.58333333333333 0.28199736923269 32.065 > 61 65 S 0.11335971432605 0.91666666666667 0.28199736923269 32.065 > 61 66 S 0.61335971432605 0.91666666666667 0.28199736923269 32.065 > 61 67 S 0.38664028567395 0.08333333333333 0.71800263076731 32.065 > 67 68 S 0.88664028567395 0.08333333333333 0.71800263076731 32.065 > 67 69 S 0.38664028567395 0.41666666666667 0.71800263076731 32.065 > 67 70 S 0.88664028567395 0.41666666666667 0.71800263076731 32.065 > 67 71 S 0.38664028567395 0.75000000000000 0.71800263076731 32.065 > 67 72 S 0.88664028567395 0.75000000000000 0.71800263076731 32.065 > 67 73 Zr 0.33172643629456 0.08333333333333 0.54630982634227 91.224 > 73 74 Zr 0.83172643629456 0.08333333333333 0.54630982634227 91.224 > 73 75 Zr 0.33172643629456 0.41666666666667 0.54630982634227 91.224 > 73 76 Zr 0.83172643629456 0.41666666666667 0.54630982634227 91.224 > 73 77 Zr 0.33172643629456 0.75000000000000 0.54630982634227 91.224 > 73 78 Zr 0.83172643629456 0.75000000000000 0.54630982634227 91.224 > 73 79 Zr 0.16827356370544 0.25000000000000 0.45369017365773 91.224 > 79 80 Zr 0.66827356370544 0.25000000000000 0.45369017365773 91.224 > 79 81 Zr 0.16827356370544 0.58333333333333 0.45369017365773 91.224 > 79 82 Zr 0.66827356370544 0.58333333333333 0.45369017365773 91.224 > 79 83 Zr 0.16827356370544 0.91666666666667 0.45369017365773 91.224 > 79 84 Zr 0.66827356370544 0.91666666666667 0.45369017365773 91.224 > 79 85 Zr 0.08172643629456 0.08333333333333 0.95369017365773 91.224 > 85 86 Zr 0.58172643629456 0.08333333333333 0.95369017365773 91.224 > 85 87 Zr 0.08172643629456 0.41666666666667 0.95369017365773 91.224 > 85 88 Zr 0.58172643629456 0.41666666666667 0.95369017365773 91.224 > 85 89 Zr 0.08172643629456 0.75000000000000 0.95369017365773 91.224 > 85 90 Zr 0.58172643629456 0.75000000000000 0.95369017365773 91.224 > 85 91 Zr 0.41827356370544 0.25000000000000 0.04630982634227 91.224 > 91 92 Zr 0.91827356370544 0.25000000000000 0.04630982634227 91.224 > 91 93 Zr 0.41827356370544 0.58333333333333 0.04630982634227 91.224 > 91 94 Zr 0.91827356370544 0.58333333333333 0.04630982634227 91.224 > 91 95 Zr 0.41827356370544 0.91666666666667 0.04630982634227 91.224 > 91 96 Zr 0.91827356370544 0.91666666666667 0.04630982634227 91.224 > 91 97 Sn 0.48009715182844 0.25000000000000 0.66828918005024 118.710 > 97 98 Sn 0.98009715182844 0.25000000000000 0.66828918005024 118.710 > 97 99 Sn 0.48009715182844 0.58333333333333 0.66828918005024 118.710 > 97 100 Sn 0.98009715182844 0.58333333333333 0.66828918005024 118.710 > 97 101 Sn 0.48009715182844 0.91666666666667 0.66828918005024 118.710 > 97 102 Sn 0.98009715182844 0.91666666666667 0.66828918005024 118.710 > 97 103 Sn 0.01990284817156 0.08333333333333 0.33171081994976 118.710 > 103 104 Sn 0.51990284817156 0.08333333333333 0.33171081994976 118.710 > 103 105 Sn 0.01990284817156 0.41666666666667 0.33171081994976 118.710 > 103 106 Sn 0.51990284817156 0.41666666666667 0.33171081994976 118.710 > 103 107 Sn 0.01990284817156 0.75000000000000 0.33171081994976 118.710 > 103 108 Sn 0.51990284817156 0.75000000000000 0.33171081994976 118.710 > 103 109 Sn 0.23009715182844 0.25000000000000 0.83171081994976 118.710 > 109 110 Sn 0.73009715182844 0.25000000000000 0.83171081994976 118.710 > 109 111 Sn 0.23009715182844 0.58333333333333 0.83171081994976 118.710 > 109 112 Sn 0.73009715182844 0.58333333333333 0.83171081994976 118.710 > 109 113 Sn 0.23009715182844 0.91666666666667 0.83171081994976 118.710 > 109 114 Sn 0.73009715182844 0.91666666666667 0.83171081994976 118.710 > 109 115 Sn 0.26990284817156 0.08333333333333 0.16828918005024 118.710 > 115 116 Sn 0.76990284817156 0.08333333333333 0.16828918005024 118.710 > 115 117 Sn 0.26990284817156 0.41666666666667 0.16828918005024 118.710 > 115 118 Sn 0.76990284817156 0.41666666666667 0.16828918005024 118.710 > 115 119 Sn 0.26990284817156 0.75000000000000 0.16828918005024 118.710 > 115 120 Sn 0.76990284817156 0.75000000000000 0.16828918005024 118.710 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 11.1739749 0.0000000 0.0000000 0.0000000 12.8176420 0.0000000 0.0000000 0.0000000 10.2121264 -------------------------- Born effective charges -------------------------- 1 S -2.9803172 0.0000000 -0.2395834 0.0000000 -3.7993107 0.0000000 -0.3862000 0.0000000 -2.7559246 2 S -2.9803172 0.0000000 -0.2395834 0.0000000 -3.7993107 0.0000000 -0.3862000 0.0000000 -2.7559246 3 S -2.9803172 0.0000000 0.2395834 0.0000000 -3.7993107 0.0000000 0.3862000 0.0000000 -2.7559246 4 S -2.9803172 0.0000000 0.2395834 0.0000000 -3.7993107 0.0000000 0.3862000 0.0000000 -2.7559246 5 S -2.6138379 0.0000000 0.6471042 0.0000000 -4.4859776 0.0000000 -0.1618017 0.0000000 -1.7098971 6 S -2.6138379 0.0000000 0.6471042 0.0000000 -4.4859776 0.0000000 -0.1618017 0.0000000 -1.7098971 7 S -2.6138379 0.0000000 -0.6471042 0.0000000 -4.4859776 0.0000000 0.1618017 0.0000000 -1.7098971 8 S -2.6138379 0.0000000 -0.6471042 0.0000000 -4.4859776 0.0000000 0.1618017 0.0000000 -1.7098971 9 S -2.4316746 0.0000000 0.9043398 0.0000000 -2.4057769 0.0000000 0.4814447 0.0000000 -1.8760231 10 S -2.4316746 0.0000000 0.9043398 0.0000000 -2.4057769 0.0000000 0.4814447 0.0000000 -1.8760231 11 S -2.4316746 0.0000000 -0.9043398 0.0000000 -2.4057769 0.0000000 -0.4814447 0.0000000 -1.8760231 12 S -2.4316746 0.0000000 -0.9043398 0.0000000 -2.4057769 0.0000000 -0.4814447 0.0000000 -1.8760231 13 Zr 5.1665688 0.0000000 1.3447148 0.0000000 7.5622453 0.0000000 1.1115259 0.0000000 3.0456837 14 Zr 5.1665688 0.0000000 1.3447148 0.0000000 7.5622453 0.0000000 1.1115259 0.0000000 3.0456837 15 Zr 5.1665688 0.0000000 -1.3447148 0.0000000 7.5622453 0.0000000 -1.1115259 0.0000000 3.0456837 16 Zr 5.1665688 0.0000000 -1.3447148 0.0000000 7.5622453 0.0000000 -1.1115259 0.0000000 3.0456837 17 Sn 2.8592608 0.0000000 0.2844561 0.0000000 3.1288198 0.0000000 0.6123377 0.0000000 3.2961611 18 Sn 2.8592608 0.0000000 0.2844561 0.0000000 3.1288198 0.0000000 0.6123377 0.0000000 3.2961611 19 Sn 2.8592608 0.0000000 -0.2844561 0.0000000 3.1288198 0.0000000 -0.6123377 0.0000000 3.2961611 20 Sn 2.8592608 0.0000000 -0.2844561 0.0000000 3.1288198 0.0000000 -0.6123377 0.0000000 3.2961611 ---------------------------------------------------------------------------- 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[ 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[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 03:12:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:12:28]------------------------- 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): [2 3 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.216997319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 3.696752609999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.423605309999997 Atomic positions (fractional): 1 S 0.50736066193049 0.25000000000000 0.38907015522452 32.065 2 S 0.49263933806951 0.75000000000000 0.61092984477548 32.065 3 S 0.00736066193049 0.25000000000000 0.11092984477548 32.065 4 S 0.99263933806951 0.75000000000000 0.88907015522452 32.065 5 S 0.83058240334148 0.75000000000000 0.48496231494639 32.065 6 S 0.16941759665852 0.25000000000000 0.51503768505361 32.065 7 S 0.33058240334148 0.75000000000000 0.01503768505361 32.065 8 S 0.66941759665852 0.25000000000000 0.98496231494639 32.065 9 S 0.72671942865211 0.75000000000000 0.21800263076731 32.065 10 S 0.27328057134789 0.25000000000000 0.78199736923269 32.065 11 S 0.22671942865211 0.75000000000000 0.28199736923269 32.065 12 S 0.77328057134789 0.25000000000000 0.71800263076731 32.065 13 Zr 0.66345287258912 0.25000000000000 0.54630982634227 91.224 14 Zr 0.33654712741088 0.75000000000000 0.45369017365773 91.224 15 Zr 0.16345287258912 0.25000000000000 0.95369017365773 91.224 16 Zr 0.83654712741088 0.75000000000000 0.04630982634227 91.224 17 Sn 0.96019430365689 0.75000000000000 0.66828918005024 118.710 18 Sn 0.03980569634311 0.25000000000000 0.33171081994976 118.710 19 Sn 0.46019430365689 0.75000000000000 0.83171081994976 118.710 20 Sn 0.53980569634311 0.25000000000000 0.16828918005024 118.710 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.433994639999998 0.000000000000000 0.000000000000000 b 0.000000000000000 11.090257829999997 0.000000000000000 c 0.000000000000000 0.000000000000000 13.423605309999997 Atomic positions (fractional): 1 S 0.25368033096524 0.08333333333333 0.38907015522452 32.065 > 1 2 S 0.75368033096524 0.08333333333333 0.38907015522452 32.065 > 1 3 S 0.25368033096524 0.41666666666667 0.38907015522452 32.065 > 1 4 S 0.75368033096524 0.41666666666667 0.38907015522452 32.065 > 1 5 S 0.25368033096524 0.75000000000000 0.38907015522452 32.065 > 1 6 S 0.75368033096524 0.75000000000000 0.38907015522452 32.065 > 1 7 S 0.24631966903476 0.25000000000000 0.61092984477548 32.065 > 7 8 S 0.74631966903476 0.25000000000000 0.61092984477548 32.065 > 7 9 S 0.24631966903476 0.58333333333333 0.61092984477548 32.065 > 7 10 S 0.74631966903476 0.58333333333333 0.61092984477548 32.065 > 7 11 S 0.24631966903476 0.91666666666667 0.61092984477548 32.065 > 7 12 S 0.74631966903476 0.91666666666667 0.61092984477548 32.065 > 7 13 S 0.00368033096524 0.08333333333333 0.11092984477548 32.065 > 13 14 S 0.50368033096524 0.08333333333333 0.11092984477548 32.065 > 13 15 S 0.00368033096524 0.41666666666667 0.11092984477548 32.065 > 13 16 S 0.50368033096524 0.41666666666667 0.11092984477548 32.065 > 13 17 S 0.00368033096524 0.75000000000000 0.11092984477548 32.065 > 13 18 S 0.50368033096524 0.75000000000000 0.11092984477548 32.065 > 13 19 S 0.49631966903476 0.25000000000000 0.88907015522452 32.065 > 19 20 S 0.99631966903476 0.25000000000000 0.88907015522452 32.065 > 19 21 S 0.49631966903476 0.58333333333333 0.88907015522452 32.065 > 19 22 S 0.99631966903476 0.58333333333333 0.88907015522452 32.065 > 19 23 S 0.49631966903476 0.91666666666667 0.88907015522452 32.065 > 19 24 S 0.99631966903476 0.91666666666667 0.88907015522452 32.065 > 19 25 S 0.41529120167074 0.25000000000000 0.48496231494639 32.065 > 25 26 S 0.91529120167074 0.25000000000000 0.48496231494639 32.065 > 25 27 S 0.41529120167074 0.58333333333333 0.48496231494639 32.065 > 25 28 S 0.91529120167074 0.58333333333333 0.48496231494639 32.065 > 25 29 S 0.41529120167074 0.91666666666667 0.48496231494639 32.065 > 25 30 S 0.91529120167074 0.91666666666667 0.48496231494639 32.065 > 25 31 S 0.08470879832926 0.08333333333333 0.51503768505361 32.065 > 31 32 S 0.58470879832926 0.08333333333333 0.51503768505361 32.065 > 31 33 S 0.08470879832926 0.41666666666667 0.51503768505361 32.065 > 31 34 S 0.58470879832926 0.41666666666667 0.51503768505361 32.065 > 31 35 S 0.08470879832926 0.75000000000000 0.51503768505361 32.065 > 31 36 S 0.58470879832926 0.75000000000000 0.51503768505361 32.065 > 31 37 S 0.16529120167074 0.25000000000000 0.01503768505361 32.065 > 37 38 S 0.66529120167074 0.25000000000000 0.01503768505361 32.065 > 37 39 S 0.16529120167074 0.58333333333333 0.01503768505361 32.065 > 37 40 S 0.66529120167074 0.58333333333333 0.01503768505361 32.065 > 37 41 S 0.16529120167074 0.91666666666667 0.01503768505361 32.065 > 37 42 S 0.66529120167074 0.91666666666667 0.01503768505361 32.065 > 37 43 S 0.33470879832926 0.08333333333333 0.98496231494639 32.065 > 43 44 S 0.83470879832926 0.08333333333333 0.98496231494639 32.065 > 43 45 S 0.33470879832926 0.41666666666667 0.98496231494639 32.065 > 43 46 S 0.83470879832926 0.41666666666667 0.98496231494639 32.065 > 43 47 S 0.33470879832926 0.75000000000000 0.98496231494639 32.065 > 43 48 S 0.83470879832926 0.75000000000000 0.98496231494639 32.065 > 43 49 S 0.36335971432605 0.25000000000000 0.21800263076731 32.065 > 49 50 S 0.86335971432605 0.25000000000000 0.21800263076731 32.065 > 49 51 S 0.36335971432605 0.58333333333333 0.21800263076731 32.065 > 49 52 S 0.86335971432605 0.58333333333333 0.21800263076731 32.065 > 49 53 S 0.36335971432605 0.91666666666667 0.21800263076731 32.065 > 49 54 S 0.86335971432605 0.91666666666667 0.21800263076731 32.065 > 49 55 S 0.13664028567395 0.08333333333333 0.78199736923269 32.065 > 55 56 S 0.63664028567395 0.08333333333333 0.78199736923269 32.065 > 55 57 S 0.13664028567395 0.41666666666667 0.78199736923269 32.065 > 55 58 S 0.63664028567395 0.41666666666667 0.78199736923269 32.065 > 55 59 S 0.13664028567395 0.75000000000000 0.78199736923269 32.065 > 55 60 S 0.63664028567395 0.75000000000000 0.78199736923269 32.065 > 55 61 S 0.11335971432605 0.25000000000000 0.28199736923269 32.065 > 61 62 S 0.61335971432605 0.25000000000000 0.28199736923269 32.065 > 61 63 S 0.11335971432605 0.58333333333333 0.28199736923269 32.065 > 61 64 S 0.61335971432605 0.58333333333333 0.28199736923269 32.065 > 61 65 S 0.11335971432605 0.91666666666667 0.28199736923269 32.065 > 61 66 S 0.61335971432605 0.91666666666667 0.28199736923269 32.065 > 61 67 S 0.38664028567395 0.08333333333333 0.71800263076731 32.065 > 67 68 S 0.88664028567395 0.08333333333333 0.71800263076731 32.065 > 67 69 S 0.38664028567395 0.41666666666667 0.71800263076731 32.065 > 67 70 S 0.88664028567395 0.41666666666667 0.71800263076731 32.065 > 67 71 S 0.38664028567395 0.75000000000000 0.71800263076731 32.065 > 67 72 S 0.88664028567395 0.75000000000000 0.71800263076731 32.065 > 67 73 Zr 0.33172643629456 0.08333333333333 0.54630982634227 91.224 > 73 74 Zr 0.83172643629456 0.08333333333333 0.54630982634227 91.224 > 73 75 Zr 0.33172643629456 0.41666666666667 0.54630982634227 91.224 > 73 76 Zr 0.83172643629456 0.41666666666667 0.54630982634227 91.224 > 73 77 Zr 0.33172643629456 0.75000000000000 0.54630982634227 91.224 > 73 78 Zr 0.83172643629456 0.75000000000000 0.54630982634227 91.224 > 73 79 Zr 0.16827356370544 0.25000000000000 0.45369017365773 91.224 > 79 80 Zr 0.66827356370544 0.25000000000000 0.45369017365773 91.224 > 79 81 Zr 0.16827356370544 0.58333333333333 0.45369017365773 91.224 > 79 82 Zr 0.66827356370544 0.58333333333333 0.45369017365773 91.224 > 79 83 Zr 0.16827356370544 0.91666666666667 0.45369017365773 91.224 > 79 84 Zr 0.66827356370544 0.91666666666667 0.45369017365773 91.224 > 79 85 Zr 0.08172643629456 0.08333333333333 0.95369017365773 91.224 > 85 86 Zr 0.58172643629456 0.08333333333333 0.95369017365773 91.224 > 85 87 Zr 0.08172643629456 0.41666666666667 0.95369017365773 91.224 > 85 88 Zr 0.58172643629456 0.41666666666667 0.95369017365773 91.224 > 85 89 Zr 0.08172643629456 0.75000000000000 0.95369017365773 91.224 > 85 90 Zr 0.58172643629456 0.75000000000000 0.95369017365773 91.224 > 85 91 Zr 0.41827356370544 0.25000000000000 0.04630982634227 91.224 > 91 92 Zr 0.91827356370544 0.25000000000000 0.04630982634227 91.224 > 91 93 Zr 0.41827356370544 0.58333333333333 0.04630982634227 91.224 > 91 94 Zr 0.91827356370544 0.58333333333333 0.04630982634227 91.224 > 91 95 Zr 0.41827356370544 0.91666666666667 0.04630982634227 91.224 > 91 96 Zr 0.91827356370544 0.91666666666667 0.04630982634227 91.224 > 91 97 Sn 0.48009715182844 0.25000000000000 0.66828918005024 118.710 > 97 98 Sn 0.98009715182844 0.25000000000000 0.66828918005024 118.710 > 97 99 Sn 0.48009715182844 0.58333333333333 0.66828918005024 118.710 > 97 100 Sn 0.98009715182844 0.58333333333333 0.66828918005024 118.710 > 97 101 Sn 0.48009715182844 0.91666666666667 0.66828918005024 118.710 > 97 102 Sn 0.98009715182844 0.91666666666667 0.66828918005024 118.710 > 97 103 Sn 0.01990284817156 0.08333333333333 0.33171081994976 118.710 > 103 104 Sn 0.51990284817156 0.08333333333333 0.33171081994976 118.710 > 103 105 Sn 0.01990284817156 0.41666666666667 0.33171081994976 118.710 > 103 106 Sn 0.51990284817156 0.41666666666667 0.33171081994976 118.710 > 103 107 Sn 0.01990284817156 0.75000000000000 0.33171081994976 118.710 > 103 108 Sn 0.51990284817156 0.75000000000000 0.33171081994976 118.710 > 103 109 Sn 0.23009715182844 0.25000000000000 0.83171081994976 118.710 > 109 110 Sn 0.73009715182844 0.25000000000000 0.83171081994976 118.710 > 109 111 Sn 0.23009715182844 0.58333333333333 0.83171081994976 118.710 > 109 112 Sn 0.73009715182844 0.58333333333333 0.83171081994976 118.710 > 109 113 Sn 0.23009715182844 0.91666666666667 0.83171081994976 118.710 > 109 114 Sn 0.73009715182844 0.91666666666667 0.83171081994976 118.710 > 109 115 Sn 0.26990284817156 0.08333333333333 0.16828918005024 118.710 > 115 116 Sn 0.76990284817156 0.08333333333333 0.16828918005024 118.710 > 115 117 Sn 0.26990284817156 0.41666666666667 0.16828918005024 118.710 > 115 118 Sn 0.76990284817156 0.41666666666667 0.16828918005024 118.710 > 115 119 Sn 0.26990284817156 0.75000000000000 0.16828918005024 118.710 > 115 120 Sn 0.76990284817156 0.75000000000000 0.16828918005024 118.710 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 11.1739749 0.0000000 0.0000000 0.0000000 12.8176420 0.0000000 0.0000000 0.0000000 10.2121264 -------------------------- Born effective charges -------------------------- 1 S -2.9803172 0.0000000 -0.2395834 0.0000000 -3.7993107 0.0000000 -0.3862000 0.0000000 -2.7559246 2 S -2.9803172 0.0000000 -0.2395834 0.0000000 -3.7993107 0.0000000 -0.3862000 0.0000000 -2.7559246 3 S -2.9803172 0.0000000 0.2395834 0.0000000 -3.7993107 0.0000000 0.3862000 0.0000000 -2.7559246 4 S -2.9803172 0.0000000 0.2395834 0.0000000 -3.7993107 0.0000000 0.3862000 0.0000000 -2.7559246 5 S -2.6138379 0.0000000 0.6471042 0.0000000 -4.4859776 0.0000000 -0.1618017 0.0000000 -1.7098971 6 S -2.6138379 0.0000000 0.6471042 0.0000000 -4.4859776 0.0000000 -0.1618017 0.0000000 -1.7098971 7 S -2.6138379 0.0000000 -0.6471042 0.0000000 -4.4859776 0.0000000 0.1618017 0.0000000 -1.7098971 8 S -2.6138379 0.0000000 -0.6471042 0.0000000 -4.4859776 0.0000000 0.1618017 0.0000000 -1.7098971 9 S -2.4316746 0.0000000 0.9043398 0.0000000 -2.4057769 0.0000000 0.4814447 0.0000000 -1.8760231 10 S -2.4316746 0.0000000 0.9043398 0.0000000 -2.4057769 0.0000000 0.4814447 0.0000000 -1.8760231 11 S -2.4316746 0.0000000 -0.9043398 0.0000000 -2.4057769 0.0000000 -0.4814447 0.0000000 -1.8760231 12 S -2.4316746 0.0000000 -0.9043398 0.0000000 -2.4057769 0.0000000 -0.4814447 0.0000000 -1.8760231 13 Zr 5.1665688 0.0000000 1.3447148 0.0000000 7.5622453 0.0000000 1.1115259 0.0000000 3.0456837 14 Zr 5.1665688 0.0000000 1.3447148 0.0000000 7.5622453 0.0000000 1.1115259 0.0000000 3.0456837 15 Zr 5.1665688 0.0000000 -1.3447148 0.0000000 7.5622453 0.0000000 -1.1115259 0.0000000 3.0456837 16 Zr 5.1665688 0.0000000 -1.3447148 0.0000000 7.5622453 0.0000000 -1.1115259 0.0000000 3.0456837 17 Sn 2.8592608 0.0000000 0.2844561 0.0000000 3.1288198 0.0000000 0.6123377 0.0000000 3.2961611 18 Sn 2.8592608 0.0000000 0.2844561 0.0000000 3.1288198 0.0000000 0.6123377 0.0000000 3.2961611 19 Sn 2.8592608 0.0000000 -0.2844561 0.0000000 3.1288198 0.0000000 -0.6123377 0.0000000 3.2961611 20 Sn 2.8592608 0.0000000 -0.2844561 0.0000000 3.1288198 0.0000000 -0.6123377 0.0000000 3.2961611 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zzz) 0.00000000 (zzz) 0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 14 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: 0.54, Number of G-points: 289, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 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 0.919 ( 0.000 0.000 0.000) 0.000 0.926 ( 0.000 0.000 0.000) 0.000 1.344 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.521 ( 0.000 0.000 0.000) 0.000 1.565 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.412 ( 0.000 0.000 0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 3.466 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 4.709 ( 0.000 0.000 0.000) 0.000 4.723 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.466 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.775 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.523 ( 0.000 0.000 0.000) 0.000 6.538 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.102 ( 0.000 0.000 0.000) 0.000 7.140 ( 0.000 0.000 0.000) 0.000 7.297 ( 0.000 0.000 0.000) 0.000 7.422 ( 0.000 0.000 0.000) 0.000 7.449 ( 0.000 0.000 0.000) 0.000 7.541 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.807 ( 0.000 0.000 0.000) 0.000 7.977 ( 0.000 0.000 0.000) 0.000 8.424 ( 0.000 0.000 0.000) 0.000 8.494 ( 0.000 0.000 0.000) 0.000 8.575 ( 0.000 0.000 0.000) 0.000 8.778 ( 0.000 0.000 0.000) 0.000 9.012 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.212 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.505 ( 0.000 0.000 0.000) 0.000 9.512 ( 0.000 0.000 0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 17.852 0.000 0.000) 17.852 0.569 ( 24.504 0.000 0.000) 24.504 0.685 ( 27.687 0.000 0.000) 27.687 0.918 ( 1.976 0.000 0.000) 1.976 1.025 ( 7.929 0.000 0.000) 7.929 1.320 ( -2.089 0.000 0.000) 2.089 1.496 ( -2.372 0.000 0.000) 2.372 1.526 ( -3.748 0.000 0.000) 3.748 1.540 ( 4.165 0.000 0.000) 4.165 1.632 ( -0.542 0.000 0.000) 0.542 1.840 ( -8.739 0.000 0.000) 8.739 1.973 ( 1.209 0.000 0.000) 1.209 2.046 ( 0.767 0.000 0.000) 0.767 2.104 ( -0.031 0.000 0.000) 0.031 2.119 ( 9.548 0.000 0.000) 9.548 2.215 ( -4.614 0.000 0.000) 4.614 2.413 ( -8.675 0.000 0.000) 8.675 2.439 ( -1.470 0.000 0.000) 1.470 2.466 ( -1.961 0.000 0.000) 1.961 2.535 ( 2.237 0.000 0.000) 2.237 3.523 ( -1.210 0.000 0.000) 1.210 3.561 ( 1.748 0.000 0.000) 1.748 4.651 ( -4.410 0.000 0.000) 4.410 4.662 ( -4.825 0.000 0.000) 4.825 5.204 ( 3.637 0.000 0.000) 3.637 5.355 ( 1.735 0.000 0.000) 1.735 5.389 ( 4.453 0.000 0.000) 4.453 5.499 ( 2.738 0.000 0.000) 2.738 5.621 ( -2.242 0.000 0.000) 2.242 5.728 ( -3.447 0.000 0.000) 3.447 5.740 ( -3.020 0.000 0.000) 3.020 5.899 ( -7.351 0.000 0.000) 7.351 6.441 ( -0.051 0.000 0.000) 0.051 6.509 ( -1.370 0.000 0.000) 1.370 6.510 ( 1.070 0.000 0.000) 1.070 6.538 ( 0.249 0.000 0.000) 0.249 7.041 ( 5.172 0.000 0.000) 5.172 7.142 ( 3.275 0.000 0.000) 3.275 7.168 ( 2.325 0.000 0.000) 2.325 7.282 ( -1.253 0.000 0.000) 1.253 7.405 ( -1.507 0.000 0.000) 1.507 7.430 ( -1.722 0.000 0.000) 1.722 7.613 ( 3.824 0.000 0.000) 3.824 7.698 ( -2.955 0.000 0.000) 2.955 7.777 ( 3.874 0.000 0.000) 3.874 7.894 ( 4.950 0.000 0.000) 4.950 8.109 ( 1.592 0.000 0.000) 1.592 8.443 ( -5.049 0.000 0.000) 5.049 8.576 ( 1.519 0.000 0.000) 1.519 8.793 ( 1.217 0.000 0.000) 1.217 8.917 ( -4.284 0.000 0.000) 4.284 9.132 ( -7.209 0.000 0.000) 7.209 9.292 ( 4.534 0.000 0.000) 4.534 9.470 ( -2.034 0.000 0.000) 2.034 9.477 ( 6.988 0.000 0.000) 6.988 9.525 ( 1.126 0.000 0.000) 1.126 9.611 ( -0.519 0.000 0.000) 0.519 9.656 ( 1.652 0.000 0.000) 1.652 9.824 ( -1.278 0.000 0.000) 1.278 9.984 ( -4.393 0.000 0.000) 4.393 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( 15.298 0.000 0.000) 15.298 1.000 ( -2.856 0.000 0.000) 2.856 1.029 ( 17.057 0.000 0.000) 17.057 1.070 ( 11.598 0.000 0.000) 11.598 1.194 ( 4.834 0.000 0.000) 4.834 1.286 ( -3.132 0.000 0.000) 3.132 1.403 ( -6.299 0.000 0.000) 6.299 1.419 ( -4.507 0.000 0.000) 4.507 1.619 ( -1.248 0.000 0.000) 1.248 1.625 ( -0.547 0.000 0.000) 0.547 1.710 ( 6.827 0.000 0.000) 6.827 1.935 ( -7.200 0.000 0.000) 7.200 2.071 ( 1.405 0.000 0.000) 1.405 2.097 ( -0.781 0.000 0.000) 0.781 2.134 ( -1.938 0.000 0.000) 1.938 2.156 ( -4.745 0.000 0.000) 4.745 2.410 ( -0.720 0.000 0.000) 0.720 2.413 ( 8.750 0.000 0.000) 8.750 2.421 ( -1.656 0.000 0.000) 1.656 2.548 ( -2.384 0.000 0.000) 2.384 3.513 ( 0.943 0.000 0.000) 0.943 3.558 ( -2.060 0.000 0.000) 2.060 4.565 ( -2.570 0.000 0.000) 2.570 4.566 ( -2.786 0.000 0.000) 2.786 5.303 ( 4.878 0.000 0.000) 4.878 5.377 ( -0.925 0.000 0.000) 0.925 5.520 ( 7.509 0.000 0.000) 7.509 5.571 ( 3.755 0.000 0.000) 3.755 5.584 ( 0.081 0.000 0.000) 0.081 5.639 ( -4.150 0.000 0.000) 4.150 5.659 ( -4.085 0.000 0.000) 4.085 5.708 ( -9.362 0.000 0.000) 9.362 6.448 ( 0.767 0.000 0.000) 0.767 6.474 ( -1.582 0.000 0.000) 1.582 6.532 ( 0.829 0.000 0.000) 0.829 6.542 ( -0.055 0.000 0.000) 0.055 7.156 ( 4.886 0.000 0.000) 4.886 7.218 ( 2.827 0.000 0.000) 2.827 7.223 ( 2.107 0.000 0.000) 2.107 7.241 ( -2.790 0.000 0.000) 2.790 7.368 ( -1.290 0.000 0.000) 1.290 7.382 ( -2.278 0.000 0.000) 2.278 7.635 ( -0.202 0.000 0.000) 0.202 7.646 ( -1.529 0.000 0.000) 1.529 7.916 ( 5.542 0.000 0.000) 5.542 7.963 ( 0.794 0.000 0.000) 0.794 8.185 ( 5.359 0.000 0.000) 5.359 8.315 ( -6.143 0.000 0.000) 6.143 8.677 ( 8.456 0.000 0.000) 8.456 8.823 ( 1.440 0.000 0.000) 1.440 8.856 ( -1.759 0.000 0.000) 1.759 8.917 ( -11.829 0.000 0.000) 11.829 9.356 ( 2.399 0.000 0.000) 2.399 9.413 ( -2.887 0.000 0.000) 2.887 9.555 ( 1.613 0.000 0.000) 1.613 9.590 ( -1.402 0.000 0.000) 1.402 9.658 ( 7.772 0.000 0.000) 7.772 9.704 ( 2.183 0.000 0.000) 2.183 9.789 ( -1.327 0.000 0.000) 1.327 9.860 ( -6.540 0.000 0.000) 6.540 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.353 ( 0.000 18.339 0.000) 18.339 0.395 ( 0.000 21.654 0.000) 21.654 0.787 ( 0.000 38.351 0.000) 38.351 0.986 ( 0.000 6.795 0.000) 6.795 1.062 ( 0.000 10.966 0.000) 10.966 1.344 ( 0.000 0.367 0.000) 0.367 1.494 ( 0.000 1.107 0.000) 1.107 1.598 ( 0.000 7.415 0.000) 7.415 1.614 ( 0.000 -0.984 0.000) 0.984 1.658 ( 0.000 8.229 0.000) 8.229 1.915 ( 0.000 -2.088 0.000) 2.088 1.938 ( 0.000 1.318 0.000) 1.318 2.001 ( 0.000 5.269 0.000) 5.269 2.116 ( 0.000 1.228 0.000) 1.228 2.188 ( 0.000 4.888 0.000) 4.888 2.422 ( 0.000 13.713 0.000) 13.713 2.441 ( 0.000 5.215 0.000) 5.215 2.532 ( 0.000 7.655 0.000) 7.655 2.629 ( 0.000 12.333 0.000) 12.333 2.649 ( 0.000 15.854 0.000) 15.854 3.512 ( 0.000 5.175 0.000) 5.175 3.600 ( 0.000 7.757 0.000) 7.757 4.707 ( 0.000 -0.320 0.000) 0.320 4.713 ( 0.000 -0.862 0.000) 0.862 5.184 ( 0.000 -3.867 0.000) 3.867 5.442 ( 0.000 -2.151 0.000) 2.151 5.649 ( 0.000 18.274 0.000) 18.274 5.740 ( 0.000 -3.443 0.000) 3.443 5.857 ( 0.000 19.902 0.000) 19.902 5.949 ( 0.000 16.704 0.000) 16.704 6.055 ( 0.000 13.432 0.000) 13.432 6.524 ( 0.000 8.355 0.000) 8.355 6.566 ( 0.000 2.725 0.000) 2.725 6.575 ( 0.000 5.103 0.000) 5.103 6.584 ( 0.000 8.774 0.000) 8.774 6.892 ( 0.000 0.549 0.000) 0.549 6.966 ( 0.000 -0.576 0.000) 0.576 7.018 ( 0.000 -1.161 0.000) 1.161 7.171 ( 0.000 3.975 0.000) 3.975 7.308 ( 0.000 1.142 0.000) 1.142 7.407 ( 0.000 -1.410 0.000) 1.410 7.442 ( 0.000 -0.610 0.000) 0.610 7.560 ( 0.000 1.671 0.000) 1.671 7.740 ( 0.000 -1.456 0.000) 1.456 7.782 ( 0.000 -2.547 0.000) 2.547 7.987 ( 0.000 0.618 0.000) 0.618 8.403 ( 0.000 -1.796 0.000) 1.796 8.488 ( 0.000 -1.991 0.000) 1.991 8.526 ( 0.000 -3.605 0.000) 3.605 8.747 ( 0.000 -2.976 0.000) 2.976 9.002 ( 0.000 -0.944 0.000) 0.944 9.142 ( 0.000 -3.795 0.000) 3.795 9.155 ( 0.000 -5.792 0.000) 5.792 9.360 ( 0.000 2.417 0.000) 2.417 9.385 ( 0.000 -2.448 0.000) 2.448 9.477 ( 0.000 -2.745 0.000) 2.745 9.494 ( 0.000 -1.653 0.000) 1.653 9.627 ( 0.000 -1.435 0.000) 1.435 9.786 ( 0.000 -4.966 0.000) 4.966 9.959 ( 0.000 -7.265 0.000) 7.265 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 13.973 5.994 0.000) 15.205 0.501 ( 11.514 10.282 0.000) 15.437 0.946 ( 0.184 4.350 0.000) 4.354 1.115 ( 15.852 23.171 0.000) 28.075 1.193 ( 8.872 12.677 0.000) 15.473 1.340 ( 1.010 4.092 0.000) 4.215 1.515 ( 1.423 -0.558 0.000) 1.529 1.578 ( -4.361 3.026 0.000) 5.308 1.596 ( 0.400 8.387 0.000) 8.397 1.647 ( 0.495 4.853 0.000) 4.878 1.843 ( -6.310 0.705 0.000) 6.349 1.930 ( -1.793 -3.300 0.000) 3.756 2.030 ( 1.116 3.871 0.000) 4.029 2.092 ( -2.124 0.846 0.000) 2.286 2.175 ( -0.196 0.879 0.000) 0.901 2.337 ( -3.685 8.752 0.000) 9.496 2.516 ( 1.539 14.781 0.000) 14.861 2.558 ( 5.530 10.494 0.000) 11.862 2.628 ( -1.359 14.059 0.000) 14.124 2.679 ( 1.888 16.545 0.000) 16.652 3.525 ( 0.622 3.841 0.000) 3.891 3.609 ( 0.292 5.790 0.000) 5.797 4.655 ( -3.972 0.307 0.000) 3.983 4.657 ( -4.414 -0.433 0.000) 4.435 5.219 ( 3.218 -3.033 0.000) 4.422 5.441 ( 0.255 -1.023 0.000) 1.054 5.631 ( -2.334 10.235 0.000) 10.498 5.694 ( -3.853 -3.104 0.000) 4.948 5.853 ( -0.109 22.956 0.000) 22.957 5.933 ( -1.442 17.952 0.000) 18.010 5.994 ( -4.571 16.324 0.000) 16.952 6.279 ( -29.325 44.364 0.000) 53.180 6.525 ( -0.449 8.028 0.000) 8.041 6.546 ( -1.212 3.290 0.000) 3.506 6.590 ( 0.302 8.099 0.000) 8.104 6.591 ( 0.802 5.269 0.000) 5.330 6.985 ( 2.037 -3.931 0.000) 4.427 7.101 ( 2.720 -4.052 0.000) 4.881 7.221 ( 2.969 4.371 0.000) 5.284 7.268 ( -3.242 -0.446 0.000) 3.273 7.420 ( 1.731 1.185 0.000) 2.097 7.442 ( 0.040 1.119 0.000) 1.120 7.625 ( 3.245 1.127 0.000) 3.435 7.730 ( -4.875 0.795 0.000) 4.939 7.754 ( 3.252 -2.352 0.000) 4.013 7.925 ( -0.614 2.540 0.000) 2.613 8.162 ( -2.146 5.143 0.000) 5.573 8.432 ( -4.585 -1.638 0.000) 4.869 8.547 ( 2.449 -2.149 0.000) 3.258 8.772 ( 1.246 -2.227 0.000) 2.552 8.904 ( -4.511 -1.259 0.000) 4.683 9.085 ( -6.328 -4.719 0.000) 7.894 9.261 ( 5.205 -3.231 0.000) 6.127 9.434 ( 5.156 -4.454 0.000) 6.814 9.439 ( -1.418 -2.886 0.000) 3.215 9.505 ( 1.021 -1.777 0.000) 2.050 9.527 ( 4.164 -7.197 0.000) 8.315 9.614 ( -0.585 -2.184 0.000) 2.261 9.773 ( -1.087 -4.724 0.000) 4.847 9.915 ( -3.847 -6.541 0.000) 7.588 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.07 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 10.726 1.700 0.000) 10.860 0.780 ( 12.312 -7.244 0.000) 14.284 1.035 ( 6.781 -0.270 0.000) 6.786 1.161 ( -5.383 1.743 0.000) 5.658 1.358 ( 1.236 13.657 0.000) 13.713 1.372 ( -3.348 12.664 0.000) 13.099 1.482 ( 1.202 3.311 0.000) 3.522 1.585 ( 0.454 -2.642 0.000) 2.681 1.667 ( 0.549 6.865 0.000) 6.887 1.676 ( 4.179 16.942 0.000) 17.450 1.693 ( -0.435 0.443 0.000) 0.621 1.844 ( -5.561 -8.814 0.000) 10.422 2.020 ( -0.727 6.678 0.000) 6.718 2.037 ( -2.333 1.973 0.000) 3.055 2.221 ( 3.148 1.304 0.000) 3.407 2.277 ( -2.141 5.646 0.000) 6.038 2.564 ( 1.135 15.190 0.000) 15.232 2.577 ( -1.066 15.114 0.000) 15.151 2.679 ( 3.191 14.751 0.000) 15.092 2.700 ( 0.571 21.451 0.000) 21.459 3.540 ( 1.344 3.878 0.000) 4.104 3.588 ( -2.297 3.992 0.000) 4.605 4.571 ( -2.356 0.514 0.000) 2.411 4.576 ( -2.515 0.989 0.000) 2.703 5.326 ( 6.490 -1.387 0.000) 6.637 5.447 ( -1.735 0.405 0.000) 1.782 5.550 ( -2.539 -0.586 0.000) 2.605 5.596 ( -4.475 -2.424 0.000) 5.089 5.863 ( 1.147 23.980 0.000) 24.008 5.894 ( -1.803 21.286 0.000) 21.362 5.909 ( -2.391 24.230 0.000) 24.347 5.933 ( -5.764 35.445 0.000) 35.911 6.518 ( -0.159 6.727 0.000) 6.729 6.523 ( -0.707 4.608 0.000) 4.662 6.600 ( 0.441 6.797 0.000) 6.812 6.603 ( 0.246 6.073 0.000) 6.078 7.050 ( 3.604 -7.048 0.000) 7.916 7.119 ( -1.877 -7.725 0.000) 7.949 7.234 ( 0.785 0.912 0.000) 1.203 7.255 ( -0.041 1.853 0.000) 1.853 7.446 ( 0.347 4.462 0.000) 4.475 7.448 ( 0.509 4.354 0.000) 4.383 7.636 ( -0.373 0.198 0.000) 0.422 7.651 ( -2.076 0.485 0.000) 2.132 7.877 ( 4.973 -4.024 0.000) 6.397 7.931 ( -0.478 -3.270 0.000) 3.305 8.207 ( 4.573 2.285 0.000) 5.112 8.320 ( -5.388 0.611 0.000) 5.423 8.663 ( 8.698 -1.144 0.000) 8.773 8.802 ( 1.420 -2.232 0.000) 2.646 8.837 ( -2.011 -1.895 0.000) 2.763 8.892 ( -10.847 -2.339 0.000) 11.097 9.332 ( 2.410 -2.379 0.000) 3.387 9.387 ( -2.736 -2.510 0.000) 3.713 9.527 ( 1.526 -3.474 0.000) 3.794 9.555 ( -0.831 -4.188 0.000) 4.270 9.581 ( 5.760 -7.176 0.000) 9.202 9.626 ( 1.004 -6.798 0.000) 6.872 9.751 ( -0.245 -3.457 0.000) 3.466 9.811 ( -5.122 -4.531 0.000) 6.839 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.000 16.057 0.000) 16.057 0.822 ( 0.000 21.597 0.000) 21.597 1.163 ( 0.000 11.120 0.000) 11.120 1.214 ( 0.000 3.818 0.000) 3.818 1.317 ( 0.000 10.086 0.000) 10.086 1.371 ( 0.000 2.739 0.000) 2.739 1.663 ( 0.000 20.948 0.000) 20.948 1.710 ( 0.000 11.038 0.000) 11.038 1.784 ( 0.000 11.244 0.000) 11.244 1.837 ( 0.000 10.000 0.000) 10.000 1.886 ( 0.000 0.185 0.000) 0.185 1.994 ( 0.000 1.654 0.000) 1.654 2.161 ( 0.000 3.243 0.000) 3.243 2.191 ( 0.000 13.440 0.000) 13.440 2.203 ( 0.000 3.011 0.000) 3.011 2.592 ( 0.000 9.479 0.000) 9.479 2.790 ( 0.000 24.532 0.000) 24.532 2.882 ( 0.000 12.333 0.000) 12.333 2.914 ( 0.000 27.441 0.000) 27.441 2.975 ( 0.000 15.411 0.000) 15.411 3.695 ( 0.000 14.768 0.000) 14.768 3.834 ( 0.000 16.416 0.000) 16.416 4.685 ( 0.000 -2.280 0.000) 2.280 4.692 ( 0.000 -1.423 0.000) 1.423 5.113 ( 0.000 -2.914 0.000) 2.914 5.392 ( 0.000 -2.878 0.000) 2.878 5.653 ( 0.000 -5.239 0.000) 5.239 5.721 ( 0.000 -3.999 0.000) 3.999 6.296 ( 0.000 15.812 0.000) 15.812 6.301 ( 0.000 21.017 0.000) 21.017 6.477 ( 0.000 17.256 0.000) 17.256 6.643 ( 0.000 6.715 0.000) 6.715 6.705 ( 0.000 7.900 0.000) 7.900 6.736 ( 0.000 12.706 0.000) 12.706 6.831 ( 0.000 16.804 0.000) 16.804 6.900 ( 0.000 0.207 0.000) 0.207 6.967 ( 0.000 1.243 0.000) 1.243 6.976 ( 0.000 -3.112 0.000) 3.112 7.336 ( 0.000 1.344 0.000) 1.344 7.346 ( 0.000 14.097 0.000) 14.097 7.378 ( 0.000 -1.429 0.000) 1.429 7.431 ( 0.000 -0.555 0.000) 0.555 7.595 ( 0.000 2.389 0.000) 2.389 7.712 ( 0.000 -0.795 0.000) 0.795 7.714 ( 0.000 -4.221 0.000) 4.221 7.977 ( 0.000 -2.201 0.000) 2.201 8.347 ( 0.000 -10.179 0.000) 10.179 8.381 ( 0.000 0.401 0.000) 0.401 8.522 ( 0.000 1.559 0.000) 1.559 8.673 ( 0.000 -4.463 0.000) 4.463 8.979 ( 0.000 -1.345 0.000) 1.345 8.999 ( 0.000 -9.922 0.000) 9.922 9.043 ( 0.000 -6.149 0.000) 6.149 9.307 ( 0.000 -5.993 0.000) 5.993 9.405 ( 0.000 1.494 0.000) 1.494 9.409 ( 0.000 -3.926 0.000) 3.926 9.460 ( 0.000 -1.410 0.000) 1.410 9.599 ( 0.000 -0.929 0.000) 0.929 9.679 ( 0.000 -4.921 0.000) 4.921 9.777 ( 0.000 -10.753 0.000) 10.753 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -2.161 21.069 0.000) 21.180 0.750 ( 5.197 14.037 0.000) 14.968 1.063 ( -2.917 6.785 0.000) 7.386 1.287 ( -2.779 1.744 0.000) 3.281 1.365 ( 7.708 4.968 0.000) 9.171 1.467 ( 4.589 1.637 0.000) 4.872 1.714 ( 1.891 20.038 0.000) 20.127 1.719 ( -1.683 10.985 0.000) 11.113 1.764 ( -1.589 5.686 0.000) 5.904 1.809 ( -0.177 10.139 0.000) 10.141 1.910 ( -5.833 3.302 0.000) 6.703 1.921 ( 4.322 10.604 0.000) 11.451 2.146 ( -0.961 4.239 0.000) 4.347 2.183 ( 0.631 8.735 0.000) 8.758 2.234 ( 1.645 8.144 0.000) 8.309 2.508 ( -5.929 9.301 0.000) 11.030 2.863 ( 0.952 16.812 0.000) 16.839 2.898 ( 7.999 23.890 0.000) 25.193 2.944 ( -2.455 15.653 0.000) 15.845 3.048 ( 7.160 22.679 0.000) 23.783 3.696 ( 0.018 14.373 0.000) 14.373 3.813 ( -1.942 15.454 0.000) 15.575 4.642 ( -3.340 -1.328 0.000) 3.594 4.656 ( -2.761 -0.377 0.000) 2.787 5.158 ( 4.034 -2.687 0.000) 4.847 5.397 ( 0.598 -2.784 0.000) 2.847 5.617 ( -3.048 -4.565 0.000) 5.489 5.654 ( -5.633 -3.516 0.000) 6.641 6.308 ( 1.001 17.181 0.000) 17.210 6.312 ( 0.750 20.216 0.000) 20.230 6.472 ( -0.748 21.359 0.000) 21.372 6.624 ( -0.572 5.311 0.000) 5.341 6.703 ( -5.594 9.324 0.000) 10.874 6.735 ( 1.836 9.886 0.000) 10.055 6.767 ( -5.681 13.579 0.000) 14.720 6.816 ( -1.844 13.909 0.000) 14.030 6.941 ( -1.034 0.356 0.000) 1.094 7.013 ( 0.967 -3.568 0.000) 3.696 7.271 ( -2.786 0.408 0.000) 2.816 7.334 ( -1.019 6.837 0.000) 6.913 7.439 ( 3.294 0.454 0.000) 3.325 7.472 ( 2.451 2.159 0.000) 3.266 7.659 ( 3.937 3.063 0.000) 4.988 7.691 ( -0.494 -3.415 0.000) 3.450 7.701 ( -1.356 -3.345 0.000) 3.610 7.947 ( -3.223 -0.651 0.000) 3.288 8.278 ( -4.293 6.465 0.000) 7.760 8.352 ( 0.147 -6.525 0.000) 6.527 8.541 ( 2.370 1.907 0.000) 3.042 8.704 ( 1.723 -4.772 0.000) 5.073 8.875 ( -4.929 -1.452 0.000) 5.138 8.958 ( -3.770 -8.069 0.000) 8.906 9.163 ( 6.085 -7.079 0.000) 9.335 9.314 ( 0.794 -7.429 0.000) 7.471 9.385 ( -2.102 -3.170 0.000) 3.803 9.399 ( -0.556 -5.344 0.000) 5.373 9.468 ( 0.755 -1.724 0.000) 1.882 9.571 ( -1.842 -2.214 0.000) 2.880 9.674 ( -0.320 -4.564 0.000) 4.576 9.763 ( -1.705 -8.258 0.000) 8.432 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 6.882 10.145 0.000) 12.260 0.874 ( 3.649 9.399 0.000) 10.082 1.067 ( 3.120 2.852 0.000) 4.227 1.187 ( -6.256 1.624 0.000) 6.463 1.503 ( 4.673 1.513 0.000) 4.912 1.528 ( 1.424 -0.527 0.000) 1.518 1.604 ( -4.775 7.159 0.000) 8.606 1.635 ( -5.601 8.444 0.000) 10.133 1.777 ( 0.898 11.980 0.000) 12.014 1.813 ( -2.833 9.740 0.000) 10.144 1.896 ( 5.830 13.782 0.000) 14.964 1.988 ( -1.070 13.126 0.000) 13.170 2.162 ( 2.804 9.788 0.000) 10.181 2.200 ( 0.020 9.543 0.000) 9.543 2.278 ( 2.865 5.868 0.000) 6.530 2.374 ( -5.813 5.832 0.000) 8.234 2.883 ( 0.386 15.921 0.000) 15.926 2.895 ( -1.318 15.883 0.000) 15.937 3.081 ( 7.203 24.993 0.000) 26.010 3.150 ( 1.283 24.311 0.000) 24.345 3.702 ( 1.025 13.689 0.000) 13.727 3.753 ( -3.224 13.964 0.000) 14.331 4.582 ( -1.258 0.451 0.000) 1.337 4.597 ( -2.218 0.929 0.000) 2.405 5.282 ( 7.056 -2.555 0.000) 7.504 5.407 ( -1.465 -3.226 0.000) 3.543 5.519 ( -4.350 -2.268 0.000) 4.905 5.539 ( -3.553 -3.194 0.000) 4.778 6.330 ( 0.797 20.514 0.000) 20.529 6.330 ( 0.813 20.098 0.000) 20.115 6.453 ( -0.018 22.527 0.000) 22.527 6.523 ( -6.908 18.578 0.000) 19.821 6.636 ( 1.650 7.606 0.000) 7.783 6.690 ( -3.069 10.882 0.000) 11.307 6.772 ( 1.486 11.912 0.000) 12.004 6.795 ( -0.662 13.849 0.000) 13.865 6.950 ( 1.664 -2.071 0.000) 2.656 6.996 ( -2.093 -3.608 0.000) 4.171 7.260 ( 1.480 1.540 0.000) 2.136 7.303 ( -1.912 2.976 0.000) 3.538 7.498 ( 1.804 0.514 0.000) 1.876 7.509 ( 0.766 1.559 0.000) 1.737 7.648 ( -0.699 0.868 0.000) 1.115 7.662 ( -1.755 -0.111 0.000) 1.758 7.777 ( 4.146 -4.368 0.000) 6.023 7.860 ( -3.956 -2.204 0.000) 4.529 8.272 ( 2.432 4.318 0.000) 4.956 8.331 ( -2.240 0.059 0.000) 2.241 8.652 ( 7.470 0.267 0.000) 7.475 8.736 ( 1.243 -4.468 0.000) 4.638 8.793 ( -2.604 -2.125 0.000) 3.361 8.837 ( -6.996 -3.030 0.000) 7.624 9.265 ( 3.315 -5.223 0.000) 6.187 9.328 ( -2.855 -3.446 0.000) 4.476 9.345 ( 1.867 -12.159 0.000) 12.302 9.380 ( -1.245 -11.909 0.000) 11.974 9.495 ( 1.693 -2.708 0.000) 3.193 9.533 ( -1.676 -3.184 0.000) 3.598 9.675 ( 0.700 -3.951 0.000) 4.013 9.711 ( -2.473 -5.174 0.000) 5.735 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 11.140 0.000) 11.140 1.180 ( 0.000 13.926 0.000) 13.926 1.269 ( 0.000 3.131 0.000) 3.131 1.388 ( 0.000 1.945 0.000) 1.945 1.408 ( 0.000 13.642 0.000) 13.642 1.477 ( 0.000 9.384 0.000) 9.384 1.843 ( 0.000 0.633 0.000) 0.633 1.911 ( 0.000 3.275 0.000) 3.275 2.010 ( 0.000 11.528 0.000) 11.528 2.013 ( 0.000 6.850 0.000) 6.850 2.046 ( 0.000 11.515 0.000) 11.515 2.148 ( 0.000 18.901 0.000) 18.901 2.235 ( 0.000 4.611 0.000) 4.611 2.361 ( 0.000 10.804 0.000) 10.804 2.461 ( 0.000 13.102 0.000) 13.102 2.770 ( 0.000 7.853 0.000) 7.853 3.080 ( 0.000 8.250 0.000) 8.250 3.193 ( 0.000 7.562 0.000) 7.562 3.362 ( 0.000 33.532 0.000) 33.532 3.496 ( 0.000 31.181 0.000) 31.181 4.083 ( 0.000 23.941 0.000) 23.941 4.212 ( 0.000 21.678 0.000) 21.678 4.620 ( 0.000 -4.239 0.000) 4.239 4.645 ( 0.000 -3.533 0.000) 3.533 5.082 ( 0.000 -0.240 0.000) 0.240 5.341 ( 0.000 -2.178 0.000) 2.178 5.546 ( 0.000 -5.604 0.000) 5.604 5.615 ( 0.000 -6.177 0.000) 6.177 6.467 ( 0.000 -0.828 0.000) 0.828 6.498 ( 0.000 5.389 0.000) 5.389 6.627 ( 0.000 1.366 0.000) 1.366 6.841 ( 0.000 5.416 0.000) 5.416 6.886 ( 0.000 11.307 0.000) 11.307 6.899 ( 0.000 -3.914 0.000) 3.914 6.906 ( 0.000 0.889 0.000) 0.889 6.990 ( 0.000 12.164 0.000) 12.164 7.054 ( 0.000 9.990 0.000) 9.990 7.182 ( 0.000 16.931 0.000) 16.931 7.345 ( 0.000 -0.685 0.000) 0.685 7.352 ( 0.000 -1.334 0.000) 1.334 7.413 ( 0.000 -1.738 0.000) 1.738 7.489 ( 0.000 -0.737 0.000) 0.737 7.630 ( 0.000 -4.257 0.000) 4.257 7.655 ( 0.000 0.449 0.000) 0.449 7.841 ( 0.000 15.446 0.000) 15.446 7.905 ( 0.000 -4.337 0.000) 4.337 8.143 ( 0.000 -9.903 0.000) 9.903 8.435 ( 0.000 4.791 0.000) 4.791 8.575 ( 0.000 3.635 0.000) 3.635 8.581 ( 0.000 -5.022 0.000) 5.022 8.792 ( 0.000 -10.842 0.000) 10.842 8.924 ( 0.000 -5.341 0.000) 5.341 8.945 ( 0.000 -2.678 0.000) 2.678 9.157 ( 0.000 -8.553 0.000) 8.553 9.336 ( 0.000 -3.565 0.000) 3.565 9.397 ( 0.000 -2.260 0.000) 2.260 9.454 ( 0.000 1.144 0.000) 1.144 9.582 ( 0.000 -8.252 0.000) 8.252 9.605 ( 0.000 1.357 0.000) 1.357 9.630 ( 0.000 0.008 0.000) 0.008 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 3.538 10.504 0.000) 11.084 1.120 ( -3.957 16.441 0.000) 16.910 1.192 ( -4.213 6.603 0.000) 7.833 1.323 ( -3.683 2.537 0.000) 4.472 1.484 ( 4.503 8.329 0.000) 9.469 1.532 ( 2.389 6.296 0.000) 6.734 1.815 ( -2.434 1.739 0.000) 2.992 1.832 ( -6.401 2.568 0.000) 6.897 2.027 ( 1.756 11.507 0.000) 11.640 2.035 ( 2.126 13.457 0.000) 13.624 2.097 ( 4.032 12.392 0.000) 13.031 2.199 ( 0.698 12.754 0.000) 12.773 2.248 ( 4.026 7.315 0.000) 8.349 2.349 ( -1.172 9.921 0.000) 9.990 2.455 ( -0.316 11.562 0.000) 11.567 2.686 ( -6.863 8.414 0.000) 10.858 3.101 ( 1.622 8.618 0.000) 8.769 3.171 ( -1.521 8.406 0.000) 8.543 3.447 ( 6.753 31.272 0.000) 31.993 3.556 ( 4.288 27.965 0.000) 28.292 4.074 ( -0.680 23.441 0.000) 23.451 4.184 ( -2.319 21.900 0.000) 22.023 4.603 ( -1.302 -2.523 0.000) 2.839 4.632 ( -1.092 -2.229 0.000) 2.482 5.126 ( 3.897 -0.597 0.000) 3.942 5.346 ( 0.492 -2.225 0.000) 2.279 5.526 ( -1.744 -4.664 0.000) 4.979 5.567 ( -4.043 -4.936 0.000) 6.381 6.448 ( -0.684 -1.758 0.000) 1.886 6.512 ( 1.057 3.943 0.000) 4.082 6.690 ( 3.945 0.855 0.000) 4.037 6.797 ( -1.590 9.861 0.000) 9.989 6.824 ( -5.642 2.793 0.000) 6.296 6.881 ( -1.559 -0.525 0.000) 1.645 6.943 ( 2.618 7.540 0.000) 7.981 7.024 ( 1.633 9.906 0.000) 10.040 7.037 ( -0.576 11.999 0.000) 12.013 7.161 ( -2.135 14.768 0.000) 14.921 7.279 ( -1.664 1.089 0.000) 1.989 7.394 ( -1.810 -0.657 0.000) 1.926 7.425 ( 2.662 -2.299 0.000) 3.517 7.490 ( -0.032 -2.033 0.000) 2.034 7.611 ( -2.888 -3.155 0.000) 4.278 7.612 ( -1.388 -5.573 0.000) 5.743 7.854 ( 1.115 14.642 0.000) 14.684 7.914 ( 0.547 -2.095 0.000) 2.165 8.213 ( 5.055 -7.163 0.000) 8.767 8.414 ( -1.725 7.233 0.000) 7.436 8.596 ( 1.831 2.559 0.000) 3.147 8.601 ( 1.692 -5.296 0.000) 5.560 8.790 ( -0.205 -8.804 0.000) 8.807 8.866 ( -3.288 1.012 0.000) 3.440 8.991 ( 2.333 -10.114 0.000) 10.379 9.177 ( 1.736 -6.252 0.000) 6.488 9.260 ( -6.004 -6.955 0.000) 9.188 9.368 ( -2.387 -0.714 0.000) 2.491 9.453 ( -0.034 0.565 0.000) 0.566 9.524 ( -2.324 -3.045 0.000) 3.830 9.623 ( -0.526 -0.484 0.000) 0.715 9.645 ( 0.575 -2.742 0.000) 2.801 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.21 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.153 14.000 0.000) 14.001 1.082 ( 2.538 10.559 0.000) 10.860 1.139 ( 0.742 4.929 0.000) 4.985 1.231 ( -4.916 3.198 0.000) 5.864 1.564 ( 2.261 4.828 0.000) 5.331 1.566 ( 1.059 4.673 0.000) 4.791 1.713 ( -2.653 6.437 0.000) 6.962 1.744 ( -3.680 5.077 0.000) 6.270 2.056 ( 1.147 12.212 0.000) 12.266 2.072 ( 0.370 14.976 0.000) 14.981 2.194 ( 0.644 9.314 0.000) 9.336 2.198 ( 2.735 16.114 0.000) 16.344 2.335 ( 1.799 6.195 0.000) 6.451 2.355 ( 3.446 8.694 0.000) 9.352 2.449 ( -0.359 9.088 0.000) 9.095 2.516 ( -7.662 8.289 0.000) 11.287 3.131 ( 0.885 9.482 0.000) 9.523 3.145 ( -0.757 9.770 0.000) 9.799 3.591 ( 4.999 26.628 0.000) 27.094 3.628 ( 1.463 24.538 0.000) 24.581 4.070 ( 0.891 23.289 0.000) 23.306 4.121 ( -3.247 22.891 0.000) 23.120 4.584 ( -0.009 -0.195 0.000) 0.195 4.603 ( -1.411 -0.327 0.000) 1.449 5.239 ( 6.053 -1.795 0.000) 6.313 5.344 ( -2.049 -3.092 0.000) 3.709 5.475 ( -2.739 -2.076 0.000) 3.437 5.481 ( -2.015 -2.655 0.000) 3.334 6.464 ( 2.234 -2.641 0.000) 3.459 6.517 ( -1.380 -0.747 0.000) 1.569 6.715 ( -0.975 4.776 0.000) 4.874 6.719 ( -2.622 5.919 0.000) 6.474 6.818 ( 2.118 8.765 0.000) 9.018 6.848 ( -1.227 4.670 0.000) 4.829 6.974 ( 1.592 4.710 0.000) 4.971 7.025 ( -1.957 5.843 0.000) 6.162 7.067 ( 2.448 15.536 0.000) 15.728 7.111 ( -1.846 16.369 0.000) 16.473 7.280 ( 1.528 0.539 0.000) 1.621 7.336 ( -3.190 0.012 0.000) 3.190 7.464 ( 1.165 -3.585 0.000) 3.769 7.483 ( -0.617 -4.061 0.000) 4.107 7.573 ( -0.433 -6.278 0.000) 6.293 7.582 ( -1.088 -7.119 0.000) 7.202 7.885 ( 1.609 11.856 0.000) 11.965 7.913 ( -0.769 4.921 0.000) 4.980 8.311 ( 3.537 -1.857 0.000) 3.995 8.370 ( -2.239 5.398 0.000) 5.843 8.642 ( 1.628 -4.549 0.000) 4.832 8.643 ( 1.797 -2.069 0.000) 2.741 8.783 ( -0.325 -2.470 0.000) 2.491 8.800 ( -2.295 3.328 0.000) 4.043 9.046 ( 2.988 -13.628 0.000) 13.951 9.132 ( -5.081 -11.777 0.000) 12.826 9.229 ( 3.046 -2.174 0.000) 3.742 9.302 ( -3.432 -0.089 0.000) 3.433 9.459 ( 0.682 -0.741 0.000) 1.007 9.483 ( -1.512 -1.956 0.000) 2.472 9.617 ( 0.161 -1.569 0.000) 1.578 9.633 ( -1.127 -2.379 0.000) 2.633 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 9.562 0.000) 9.562 1.349 ( 0.000 5.089 0.000) 5.089 1.360 ( 0.000 6.551 0.000) 6.551 1.440 ( 0.000 3.714 0.000) 3.714 1.654 ( 0.000 11.049 0.000) 11.049 1.718 ( 0.000 13.298 0.000) 13.298 1.865 ( 0.000 2.007 0.000) 2.007 1.903 ( 0.000 -0.516 0.000) 0.516 2.195 ( 0.000 8.220 0.000) 8.220 2.214 ( 0.000 9.501 0.000) 9.501 2.274 ( 0.000 11.871 0.000) 11.871 2.287 ( 0.000 2.161 0.000) 2.161 2.451 ( 0.000 10.916 0.000) 10.916 2.555 ( 0.000 8.459 0.000) 8.459 2.648 ( 0.000 5.085 0.000) 5.085 2.850 ( 0.000 -0.483 0.000) 0.483 3.219 ( 0.000 6.904 0.000) 6.904 3.314 ( 0.000 6.099 0.000) 6.099 3.998 ( 0.000 28.031 0.000) 28.031 4.020 ( 0.000 18.105 0.000) 18.105 4.555 ( 0.000 23.497 0.000) 23.497 4.575 ( 0.000 3.575 0.000) 3.575 4.576 ( 0.000 -1.154 0.000) 1.154 4.631 ( 0.000 20.632 0.000) 20.632 5.105 ( 0.000 2.727 0.000) 2.727 5.316 ( 0.000 -0.103 0.000) 0.103 5.446 ( 0.000 -4.546 0.000) 4.546 5.499 ( 0.000 -5.375 0.000) 5.375 6.407 ( 0.000 -4.025 0.000) 4.025 6.539 ( 0.000 0.016 0.000) 0.016 6.601 ( 0.000 -3.169 0.000) 3.169 6.819 ( 0.000 -3.990 0.000) 3.990 6.912 ( 0.000 2.099 0.000) 2.099 6.940 ( 0.000 2.433 0.000) 2.433 6.985 ( 0.000 1.803 0.000) 1.803 7.196 ( 0.000 8.007 0.000) 8.007 7.263 ( 0.000 4.025 0.000) 4.025 7.298 ( 0.000 -3.348 0.000) 3.348 7.307 ( 0.000 -2.835 0.000) 2.835 7.379 ( 0.000 2.556 0.000) 2.556 7.421 ( 0.000 -5.414 0.000) 5.414 7.436 ( 0.000 7.704 0.000) 7.704 7.560 ( 0.000 -2.673 0.000) 2.673 7.671 ( 0.000 1.794 0.000) 1.794 7.863 ( 0.000 1.190 0.000) 1.190 8.000 ( 0.000 -4.499 0.000) 4.499 8.093 ( 0.000 9.302 0.000) 9.302 8.473 ( 0.000 -6.455 0.000) 6.455 8.525 ( 0.000 3.327 0.000) 3.327 8.609 ( 0.000 -7.256 0.000) 7.256 8.614 ( 0.000 -1.117 0.000) 1.117 8.841 ( 0.000 -8.361 0.000) 8.361 8.882 ( 0.000 1.796 0.000) 1.796 9.038 ( 0.000 -2.922 0.000) 2.922 9.261 ( 0.000 -4.151 0.000) 4.151 9.337 ( 0.000 -3.436 0.000) 3.436 9.504 ( 0.000 0.478 0.000) 0.478 9.512 ( 0.000 4.688 0.000) 4.688 9.631 ( 0.000 0.935 0.000) 0.935 9.660 ( 0.000 2.312 0.000) 2.312 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 2.137 8.700 0.000) 8.958 1.321 ( -2.057 6.786 0.000) 7.091 1.342 ( -1.581 7.425 0.000) 7.592 1.396 ( -3.484 5.110 0.000) 6.185 1.657 ( 0.307 8.359 0.000) 8.365 1.707 ( -1.072 9.830 0.000) 9.888 1.865 ( 0.023 4.174 0.000) 4.174 1.882 ( -1.604 2.975 0.000) 3.380 2.225 ( 1.793 8.162 0.000) 8.356 2.256 ( 3.575 9.731 0.000) 10.367 2.317 ( 1.829 3.076 0.000) 3.579 2.319 ( 4.475 10.860 0.000) 11.746 2.445 ( -0.108 8.604 0.000) 8.604 2.538 ( -1.525 8.293 0.000) 8.432 2.626 ( -2.063 5.207 0.000) 5.601 2.796 ( -4.781 2.119 0.000) 5.230 3.231 ( 1.172 5.832 0.000) 5.948 3.300 ( -0.923 5.824 0.000) 5.897 4.021 ( 1.562 23.851 0.000) 23.902 4.026 ( 0.410 16.315 0.000) 16.320 4.527 ( -0.786 18.360 0.000) 18.377 4.583 ( 0.638 7.879 0.000) 7.905 4.609 ( 1.322 6.093 0.000) 6.234 4.622 ( -0.836 18.139 0.000) 18.158 5.138 ( 2.837 1.925 0.000) 3.428 5.318 ( -0.079 -0.603 0.000) 0.608 5.446 ( -0.027 -3.414 0.000) 3.415 5.478 ( -1.694 -3.841 0.000) 4.198 6.383 ( -1.382 -3.801 0.000) 4.045 6.512 ( -2.488 -2.083 0.000) 3.245 6.639 ( 2.714 -5.026 0.000) 5.712 6.796 ( -2.047 -3.420 0.000) 3.986 6.911 ( 0.455 3.354 0.000) 3.385 6.928 ( -0.411 3.783 0.000) 3.805 7.020 ( 2.450 1.894 0.000) 3.096 7.202 ( -0.984 7.596 0.000) 7.659 7.240 ( -1.759 -1.521 0.000) 2.326 7.264 ( 0.250 5.303 0.000) 5.309 7.344 ( 1.396 -5.719 0.000) 5.887 7.354 ( -1.643 -0.137 0.000) 1.649 7.410 ( -1.162 -5.036 0.000) 5.168 7.442 ( 0.318 9.359 0.000) 9.364 7.514 ( -3.497 -3.414 0.000) 4.887 7.610 ( -4.012 3.492 0.000) 5.319 7.891 ( 2.338 0.330 0.000) 2.361 8.060 ( 0.665 -0.952 0.000) 1.161 8.130 ( 6.214 5.042 0.000) 8.002 8.469 ( -0.663 -3.876 0.000) 3.932 8.551 ( 1.721 0.750 0.000) 1.878 8.606 ( -0.559 -1.542 0.000) 1.640 8.642 ( 3.302 -5.493 0.000) 6.409 8.793 ( -1.233 -9.423 0.000) 9.503 8.919 ( -0.304 3.200 0.000) 3.215 9.085 ( 4.725 -3.014 0.000) 5.604 9.147 ( -8.315 -4.149 0.000) 9.293 9.343 ( -0.630 -2.489 0.000) 2.568 9.493 ( -0.723 1.439 0.000) 1.610 9.502 ( -0.782 4.482 0.000) 4.550 9.637 ( 0.032 0.655 0.000) 0.656 9.646 ( -1.107 2.300 0.000) 2.553 ======================= Grid point 22 (15/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 3.428 6.746 0.000) 7.567 1.287 ( -0.561 8.854 0.000) 8.872 1.302 ( -1.700 9.374 0.000) 9.527 1.314 ( -3.815 5.438 0.000) 6.643 1.665 ( 0.390 4.920 0.000) 4.935 1.680 ( -1.100 5.743 0.000) 5.847 1.856 ( -0.370 7.848 0.000) 7.857 1.861 ( -0.419 7.375 0.000) 7.387 2.262 ( 1.817 8.737 0.000) 8.924 2.302 ( -1.271 8.606 0.000) 8.699 2.373 ( 4.970 8.974 0.000) 10.258 2.444 ( 5.438 7.291 0.000) 9.096 2.469 ( 1.798 2.991 0.000) 3.490 2.480 ( -4.059 9.564 0.000) 10.390 2.581 ( -0.730 4.391 0.000) 4.451 2.663 ( -6.684 6.163 0.000) 9.092 3.263 ( 1.407 4.782 0.000) 4.985 3.284 ( -0.654 5.205 0.000) 5.246 4.035 ( 0.461 14.438 0.000) 14.446 4.041 ( 0.141 16.659 0.000) 16.660 4.537 ( 1.658 22.036 0.000) 22.098 4.581 ( -1.734 23.278 0.000) 23.342 4.610 ( 0.537 5.220 0.000) 5.248 4.621 ( -0.138 6.188 0.000) 6.190 5.217 ( 4.104 -0.246 0.000) 4.111 5.294 ( -2.477 -1.793 0.000) 3.058 5.443 ( -0.160 -1.129 0.000) 1.140 5.446 ( -0.775 -0.705 0.000) 1.047 6.379 ( 1.356 -4.743 0.000) 4.933 6.439 ( -3.724 -4.982 0.000) 6.220 6.695 ( 2.296 -5.074 0.000) 5.570 6.744 ( -2.392 -2.837 0.000) 3.711 6.934 ( 1.132 3.984 0.000) 4.141 6.936 ( 0.761 4.546 0.000) 4.609 7.064 ( 1.714 3.885 0.000) 4.246 7.125 ( -3.998 3.782 0.000) 5.503 7.261 ( 2.141 -0.089 0.000) 2.143 7.290 ( 2.116 2.769 0.000) 3.485 7.318 ( -1.712 -0.173 0.000) 1.720 7.354 ( -1.238 -3.582 0.000) 3.790 7.387 ( -0.259 -4.221 0.000) 4.229 7.411 ( -2.721 4.120 0.000) 4.938 7.484 ( 1.406 1.728 0.000) 2.228 7.534 ( -2.923 4.520 0.000) 5.383 7.954 ( 3.254 -0.433 0.000) 3.283 8.024 ( -2.908 0.686 0.000) 2.988 8.302 ( 7.705 1.648 0.000) 7.879 8.427 ( -3.641 -0.227 0.000) 3.648 8.582 ( 0.996 -2.363 0.000) 2.564 8.596 ( -0.421 -2.381 0.000) 2.418 8.743 ( 5.241 -2.507 0.000) 5.809 8.806 ( 1.616 -10.368 0.000) 10.493 8.873 ( -2.317 2.891 0.000) 3.705 8.959 ( -7.996 -4.675 0.000) 9.262 9.206 ( 5.521 -1.055 0.000) 5.621 9.302 ( -3.170 -1.249 0.000) 3.407 9.482 ( -0.192 2.809 0.000) 2.815 9.486 ( -0.538 3.883 0.000) 3.920 9.624 ( -0.655 1.975 0.000) 2.081 9.626 ( -0.733 1.224 0.000) 1.427 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 0.000 9.253 0.000) 9.253 1.459 ( 0.000 5.929 0.000) 5.929 1.476 ( 0.000 5.679 0.000) 5.679 1.526 ( 0.000 4.805 0.000) 4.805 1.822 ( 0.000 6.430 0.000) 6.430 1.913 ( 0.000 1.438 0.000) 1.438 1.926 ( 0.000 4.418 0.000) 4.418 1.931 ( 0.000 8.142 0.000) 8.142 2.297 ( 0.000 2.263 0.000) 2.263 2.298 ( 0.000 -1.030 0.000) 1.030 2.380 ( 0.000 7.736 0.000) 7.736 2.485 ( 0.000 9.160 0.000) 9.160 2.596 ( 0.000 4.479 0.000) 4.479 2.642 ( 0.000 -4.881 0.000) 4.881 2.675 ( 0.000 3.911 0.000) 3.911 2.753 ( 0.000 -8.731 0.000) 8.731 3.371 ( 0.000 8.935 0.000) 8.935 3.443 ( 0.000 7.102 0.000) 7.102 4.085 ( 0.000 -6.179 0.000) 6.179 4.180 ( 0.000 -6.571 0.000) 6.571 4.804 ( 0.000 20.892 0.000) 20.892 4.835 ( 0.000 17.153 0.000) 17.153 4.938 ( 0.000 14.567 0.000) 14.567 4.966 ( 0.000 12.801 0.000) 12.801 5.197 ( 0.000 7.477 0.000) 7.477 5.349 ( 0.000 3.948 0.000) 3.948 5.384 ( 0.000 -1.325 0.000) 1.325 5.427 ( 0.000 -1.337 0.000) 1.337 6.340 ( 0.000 -2.508 0.000) 2.508 6.524 ( 0.000 -4.537 0.000) 4.537 6.536 ( 0.000 0.386 0.000) 0.386 6.750 ( 0.000 -3.099 0.000) 3.099 6.935 ( 0.000 0.529 0.000) 0.529 6.984 ( 0.000 1.677 0.000) 1.677 6.986 ( 0.000 -1.513 0.000) 1.513 7.202 ( 0.000 -4.921 0.000) 4.921 7.208 ( 0.000 -3.890 0.000) 3.890 7.231 ( 0.000 -2.475 0.000) 2.475 7.304 ( 0.000 -6.043 0.000) 6.043 7.324 ( 0.000 2.288 0.000) 2.288 7.515 ( 0.000 1.592 0.000) 1.592 7.525 ( 0.000 7.806 0.000) 7.806 7.532 ( 0.000 -0.231 0.000) 0.231 7.715 ( 0.000 2.167 0.000) 2.167 7.948 ( 0.000 6.514 0.000) 6.514 7.967 ( 0.000 0.935 0.000) 0.935 8.204 ( 0.000 2.603 0.000) 2.603 8.339 ( 0.000 -6.676 0.000) 6.676 8.519 ( 0.000 -2.608 0.000) 2.608 8.546 ( 0.000 -0.828 0.000) 0.828 8.552 ( 0.000 -3.934 0.000) 3.934 8.666 ( 0.000 -8.613 0.000) 8.613 8.955 ( 0.000 4.359 0.000) 4.359 9.021 ( 0.000 0.577 0.000) 0.577 9.198 ( 0.000 -1.908 0.000) 1.908 9.277 ( 0.000 -2.625 0.000) 2.625 9.557 ( 0.000 3.513 0.000) 3.513 9.614 ( 0.000 5.069 0.000) 5.069 9.635 ( 0.000 -0.546 0.000) 0.546 9.697 ( 0.000 1.216 0.000) 1.216 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.20 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.924 8.644 0.000) 8.693 1.452 ( -0.510 6.490 0.000) 6.510 1.460 ( -1.368 5.496 0.000) 5.663 1.506 ( -1.760 5.622 0.000) 5.891 1.782 ( -2.435 4.785 0.000) 5.369 1.846 ( -3.951 5.274 0.000) 6.590 1.951 ( 2.406 3.792 0.000) 4.490 1.985 ( 1.791 6.816 0.000) 7.048 2.321 ( 1.906 1.950 0.000) 2.727 2.332 ( 2.892 -1.493 0.000) 3.255 2.422 ( 3.433 7.581 0.000) 8.322 2.516 ( 2.483 8.853 0.000) 9.194 2.550 ( -3.303 1.935 0.000) 3.828 2.600 ( -2.303 -3.632 0.000) 4.300 2.682 ( -0.517 2.762 0.000) 2.810 2.766 ( 0.262 -4.252 0.000) 4.260 3.359 ( -0.796 7.863 0.000) 7.903 3.418 ( -1.928 6.639 0.000) 6.913 4.093 ( 0.635 -5.482 0.000) 5.519 4.163 ( -1.439 -6.234 0.000) 6.398 4.810 ( 0.516 18.544 0.000) 18.551 4.834 ( -0.086 15.927 0.000) 15.928 4.944 ( 0.491 15.470 0.000) 15.478 4.968 ( 0.125 13.747 0.000) 13.748 5.210 ( 1.173 6.162 0.000) 6.272 5.330 ( -1.539 2.299 0.000) 2.766 5.406 ( 1.732 -0.217 0.000) 1.745 5.440 ( 0.934 0.580 0.000) 1.099 6.324 ( -1.274 -1.980 0.000) 2.354 6.480 ( -4.726 -0.610 0.000) 4.765 6.526 ( 0.755 -6.065 0.000) 6.112 6.724 ( -2.390 -3.951 0.000) 4.617 6.952 ( 1.479 1.182 0.000) 1.894 6.991 ( 0.736 2.421 0.000) 2.531 7.024 ( 3.078 -1.365 0.000) 3.367 7.188 ( -1.221 -3.609 0.000) 3.810 7.219 ( 1.037 -3.728 0.000) 3.870 7.238 ( 0.212 -4.017 0.000) 4.022 7.294 ( -0.921 -5.227 0.000) 5.308 7.305 ( -1.518 2.688 0.000) 3.088 7.463 ( -2.462 -0.454 0.000) 2.504 7.476 ( -3.527 6.756 0.000) 7.621 7.572 ( 1.939 2.900 0.000) 3.488 7.708 ( -0.907 5.031 0.000) 5.113 7.945 ( -0.151 5.205 0.000) 5.208 7.999 ( 1.460 -1.757 0.000) 2.284 8.231 ( 2.961 2.622 0.000) 3.955 8.367 ( 2.018 -5.702 0.000) 6.049 8.518 ( 0.139 -2.215 0.000) 2.219 8.553 ( 0.028 -3.363 0.000) 3.363 8.591 ( 3.439 -2.059 0.000) 4.008 8.630 ( -1.681 -7.224 0.000) 7.417 8.974 ( -0.988 2.557 0.000) 2.741 9.061 ( 4.926 0.237 0.000) 4.932 9.107 ( -6.778 -0.128 0.000) 6.779 9.283 ( -0.375 -3.177 0.000) 3.199 9.560 ( 0.261 4.003 0.000) 4.011 9.604 ( -0.855 5.128 0.000) 5.199 9.644 ( 0.587 -0.208 0.000) 0.623 9.688 ( -0.774 1.579 0.000) 1.759 ======================= Grid point 27 (18/72) ======================= q-point: ( 0.40 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( 1.964 7.193 0.000) 7.456 1.420 ( -2.223 5.649 0.000) 6.071 1.446 ( 0.143 7.291 0.000) 7.292 1.464 ( -1.601 7.140 0.000) 7.317 1.748 ( -0.389 3.976 0.000) 3.995 1.772 ( -2.534 4.341 0.000) 5.026 1.994 ( 1.384 5.903 0.000) 6.063 2.007 ( 0.236 6.685 0.000) 6.690 2.369 ( 2.469 2.377 0.000) 3.427 2.398 ( 1.836 0.348 0.000) 1.869 2.462 ( -0.684 -0.287 0.000) 0.742 2.506 ( -3.027 -2.118 0.000) 3.694 2.540 ( 4.196 5.639 0.000) 7.029 2.629 ( 0.189 6.314 0.000) 6.317 2.644 ( 1.038 2.555 0.000) 2.758 2.735 ( -3.303 1.298 0.000) 3.549 3.352 ( 0.390 5.574 0.000) 5.587 3.376 ( -1.685 5.272 0.000) 5.534 4.108 ( 0.723 -4.710 0.000) 4.765 4.130 ( -1.368 -5.268 0.000) 5.443 4.822 ( 0.521 15.254 0.000) 15.263 4.831 ( -0.234 14.515 0.000) 14.517 4.956 ( 0.603 16.094 0.000) 16.106 4.967 ( -0.295 15.253 0.000) 15.256 5.245 ( 1.946 3.821 0.000) 4.288 5.290 ( -2.052 2.022 0.000) 2.881 5.443 ( 1.310 1.328 0.000) 1.865 5.455 ( 0.188 1.810 0.000) 1.820 6.309 ( 0.654 -2.054 0.000) 2.155 6.368 ( -4.589 -1.875 0.000) 4.957 6.570 ( 3.221 -6.900 0.000) 7.615 6.652 ( -3.925 -5.810 0.000) 7.012 6.990 ( 1.714 1.956 0.000) 2.600 7.008 ( 0.303 2.734 0.000) 2.751 7.094 ( 2.868 -0.983 0.000) 3.031 7.147 ( -2.355 -1.620 0.000) 2.859 7.240 ( 0.580 -3.277 0.000) 3.328 7.247 ( 1.334 -3.494 0.000) 3.740 7.268 ( -1.323 -2.934 0.000) 3.219 7.277 ( -1.076 -0.369 0.000) 1.138 7.413 ( -1.550 4.470 0.000) 4.731 7.418 ( -1.605 1.064 0.000) 1.926 7.621 ( 2.555 5.318 0.000) 5.899 7.674 ( -2.133 6.616 0.000) 6.951 7.951 ( 0.953 1.741 0.000) 1.985 7.988 ( -1.942 -1.688 0.000) 2.573 8.330 ( 4.818 0.070 0.000) 4.818 8.391 ( -0.565 -3.120 0.000) 3.171 8.531 ( 0.977 -2.337 0.000) 2.533 8.549 ( -0.514 -2.441 0.000) 2.494 8.636 ( 2.086 -7.037 0.000) 7.340 8.658 ( 1.583 -5.267 0.000) 5.500 8.933 ( -1.787 3.477 0.000) 3.910 8.960 ( -5.204 3.160 0.000) 6.088 9.176 ( 4.705 -1.901 0.000) 5.075 9.253 ( -2.406 -3.191 0.000) 3.997 9.569 ( 0.576 4.774 0.000) 4.809 9.584 ( -0.814 5.110 0.000) 5.175 9.654 ( 0.409 1.099 0.000) 1.172 9.668 ( -0.916 1.973 0.000) 2.175 ======================= Grid point 30 (19/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( 0.000 6.839 0.000) 6.839 1.556 ( 0.000 3.475 0.000) 3.475 1.575 ( 0.000 4.314 0.000) 4.314 1.606 ( 0.000 2.969 0.000) 2.969 1.911 ( 0.000 3.069 0.000) 3.069 1.947 ( 0.000 1.561 0.000) 1.561 2.028 ( 0.000 5.329 0.000) 5.329 2.037 ( 0.000 3.359 0.000) 3.359 2.268 ( 0.000 -0.828 0.000) 0.828 2.307 ( 0.000 0.092 0.000) 0.092 2.484 ( 0.000 -1.141 0.000) 1.141 2.486 ( 0.000 -8.045 0.000) 8.045 2.577 ( 0.000 -4.618 0.000) 4.618 2.635 ( 0.000 4.574 0.000) 4.574 2.637 ( 0.000 0.082 0.000) 0.082 2.712 ( 0.000 0.284 0.000) 0.284 3.556 ( 0.000 10.007 0.000) 10.007 3.589 ( 0.000 8.266 0.000) 8.266 3.928 ( 0.000 -8.945 0.000) 8.945 3.984 ( 0.000 -11.560 0.000) 11.560 5.062 ( 0.000 5.823 0.000) 5.823 5.099 ( 0.000 7.465 0.000) 7.465 5.103 ( 0.000 4.259 0.000) 4.259 5.107 ( 0.000 2.733 0.000) 2.733 5.379 ( 0.000 8.988 0.000) 8.988 5.419 ( 0.000 4.727 0.000) 4.727 5.461 ( 0.000 6.139 0.000) 6.139 5.468 ( 0.000 4.676 0.000) 4.676 6.320 ( 0.000 0.495 0.000) 0.495 6.435 ( 0.000 -4.524 0.000) 4.524 6.566 ( 0.000 2.625 0.000) 2.625 6.693 ( 0.000 -3.026 0.000) 3.026 6.936 ( 0.000 -0.323 0.000) 0.323 6.946 ( 0.000 -1.839 0.000) 1.839 7.000 ( 0.000 0.425 0.000) 0.425 7.101 ( 0.000 -4.966 0.000) 4.966 7.164 ( 0.000 -0.882 0.000) 0.882 7.207 ( 0.000 -3.668 0.000) 3.668 7.229 ( 0.000 2.005 0.000) 2.005 7.327 ( 0.000 -1.482 0.000) 1.482 7.528 ( 0.000 0.231 0.000) 0.231 7.536 ( 0.000 0.132 0.000) 0.132 7.644 ( 0.000 4.618 0.000) 4.618 7.738 ( 0.000 -0.044 0.000) 0.044 8.028 ( 0.000 4.968 0.000) 4.968 8.075 ( 0.000 5.898 0.000) 5.898 8.206 ( 0.000 -2.143 0.000) 2.143 8.234 ( 0.000 -4.139 0.000) 4.139 8.489 ( 0.000 -2.287 0.000) 2.287 8.490 ( 0.000 -0.657 0.000) 0.657 8.515 ( 0.000 -1.892 0.000) 1.892 8.531 ( 0.000 -5.091 0.000) 5.091 9.027 ( 0.000 2.877 0.000) 2.877 9.045 ( 0.000 1.440 0.000) 1.440 9.190 ( 0.000 0.774 0.000) 0.774 9.239 ( 0.000 -1.413 0.000) 1.413 9.604 ( 0.000 1.039 0.000) 1.039 9.617 ( 0.000 -0.930 0.000) 0.930 9.685 ( 0.000 2.099 0.000) 2.099 9.707 ( 0.000 -0.008 0.000) 0.008 ======================= Grid point 31 (20/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -0.033 6.295 0.000) 6.295 1.552 ( -0.300 3.280 0.000) 3.294 1.556 ( -1.592 4.177 0.000) 4.470 1.592 ( -1.193 2.871 0.000) 3.109 1.867 ( -2.129 4.574 0.000) 5.045 1.950 ( -3.989 5.665 0.000) 6.928 2.000 ( 3.050 0.488 0.000) 3.089 2.084 ( 1.361 2.715 0.000) 3.037 2.285 ( 1.589 -1.690 0.000) 2.320 2.329 ( 1.862 0.039 0.000) 1.862 2.473 ( -1.708 -7.512 0.000) 7.704 2.491 ( -1.250 -6.788 0.000) 6.902 2.552 ( 1.276 5.140 0.000) 5.296 2.642 ( 1.138 4.132 0.000) 4.286 2.693 ( 2.975 -2.687 0.000) 4.009 2.712 ( -0.237 0.146 0.000) 0.278 3.536 ( -1.611 10.246 0.000) 10.372 3.564 ( -2.088 8.649 0.000) 8.898 3.938 ( 0.681 -9.478 0.000) 9.502 3.973 ( -0.851 -11.446 0.000) 11.478 5.053 ( -0.522 6.221 0.000) 6.242 5.066 ( -1.337 7.021 0.000) 7.148 5.122 ( 0.981 2.776 0.000) 2.944 5.131 ( 0.921 4.304 0.000) 4.401 5.371 ( -0.161 8.908 0.000) 8.909 5.423 ( -1.793 6.711 0.000) 6.946 5.454 ( 2.283 4.302 0.000) 4.870 5.498 ( 1.135 3.863 0.000) 4.026 6.311 ( -0.790 0.640 0.000) 1.017 6.420 ( -0.378 -4.736 0.000) 4.751 6.498 ( -5.519 2.413 0.000) 6.023 6.645 ( -4.103 -4.204 0.000) 5.874 6.963 ( 2.127 0.034 0.000) 2.127 6.986 ( 3.087 -1.932 0.000) 3.642 7.018 ( 1.402 0.726 0.000) 1.579 7.108 ( 0.174 -4.191 0.000) 4.195 7.171 ( 0.798 -1.195 0.000) 1.437 7.212 ( 0.446 -3.099 0.000) 3.131 7.215 ( -0.895 1.336 0.000) 1.608 7.310 ( -1.595 -1.610 0.000) 2.266 7.485 ( -1.406 2.382 0.000) 2.766 7.583 ( 2.341 -1.205 0.000) 2.632 7.596 ( -3.443 5.668 0.000) 6.632 7.751 ( 0.052 -0.959 0.000) 0.960 8.029 ( -0.020 4.809 0.000) 4.809 8.066 ( -0.833 6.488 0.000) 6.541 8.228 ( 2.154 -2.637 0.000) 3.405 8.267 ( 2.452 -4.582 0.000) 5.196 8.495 ( 0.461 -0.299 0.000) 0.550 8.496 ( 0.679 -2.189 0.000) 2.292 8.521 ( -0.413 -3.923 0.000) 3.945 8.541 ( 1.994 -2.609 0.000) 3.284 9.026 ( -0.689 2.713 0.000) 2.800 9.074 ( 2.794 0.565 0.000) 2.851 9.132 ( -4.379 2.349 0.000) 4.969 9.230 ( -1.151 -2.375 0.000) 2.640 9.614 ( 0.846 1.354 0.000) 1.596 9.632 ( 1.175 -0.782 0.000) 1.411 9.676 ( -0.736 2.237 0.000) 2.355 9.703 ( -0.386 0.099 0.000) 0.399 ======================= Grid point 32 (21/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.597 5.107 0.000) 5.142 1.519 ( -1.570 4.248 0.000) 4.529 1.549 ( 0.207 2.923 0.000) 2.930 1.564 ( -1.138 2.780 0.000) 3.004 1.842 ( 0.057 6.261 0.000) 6.262 1.873 ( -2.725 6.543 0.000) 7.088 2.060 ( 2.257 0.046 0.000) 2.257 2.092 ( -0.613 1.095 0.000) 1.255 2.336 ( 3.052 -3.495 0.000) 4.640 2.379 ( 2.575 -0.621 0.000) 2.648 2.411 ( -3.479 -5.382 0.000) 6.408 2.439 ( -2.732 -3.171 0.000) 4.185 2.620 ( 3.522 3.196 0.000) 4.756 2.673 ( -0.309 0.896 0.000) 0.948 2.707 ( 0.992 1.319 0.000) 1.650 2.730 ( 0.122 -1.462 0.000) 1.467 3.505 ( -0.753 10.254 0.000) 10.282 3.517 ( -1.761 9.490 0.000) 9.652 3.949 ( 0.327 -10.456 0.000) 10.461 3.957 ( -0.506 -11.117 0.000) 11.129 5.045 ( -0.151 6.908 0.000) 6.909 5.047 ( -0.416 7.242 0.000) 7.254 5.139 ( 0.489 3.002 0.000) 3.042 5.142 ( 0.157 3.429 0.000) 3.433 5.375 ( 0.506 8.621 0.000) 8.636 5.392 ( -1.058 7.718 0.000) 7.791 5.497 ( 1.430 3.236 0.000) 3.537 5.511 ( 0.035 2.946 0.000) 2.946 6.304 ( 0.935 1.402 0.000) 1.686 6.371 ( -5.122 2.049 0.000) 5.517 6.448 ( 2.951 -5.608 0.000) 6.337 6.539 ( -5.073 -5.714 0.000) 7.641 7.012 ( 2.119 0.447 0.000) 2.166 7.039 ( -0.007 0.674 0.000) 0.674 7.053 ( 2.665 -2.354 0.000) 3.555 7.096 ( -1.309 -2.887 0.000) 3.170 7.194 ( 0.875 -1.273 0.000) 1.544 7.202 ( -0.218 -0.002 0.000) 0.218 7.229 ( 1.264 -1.801 0.000) 2.200 7.267 ( -2.062 -1.484 0.000) 2.541 7.477 ( 0.726 4.591 0.000) 4.648 7.521 ( -3.113 6.198 0.000) 6.936 7.645 ( 3.371 -2.066 0.000) 3.954 7.718 ( -2.908 -2.053 0.000) 3.559 8.028 ( 0.162 5.924 0.000) 5.926 8.043 ( -1.076 6.947 0.000) 7.030 8.287 ( 2.462 -4.523 0.000) 5.150 8.308 ( 0.702 -5.391 0.000) 5.437 8.508 ( 0.513 -0.117 0.000) 0.527 8.511 ( 0.265 -1.263 0.000) 1.291 8.536 ( 2.018 -3.299 0.000) 3.867 8.569 ( -0.121 -3.620 0.000) 3.622 9.010 ( -0.271 4.330 0.000) 4.339 9.039 ( -3.274 4.594 0.000) 5.641 9.138 ( 2.800 -2.053 0.000) 3.472 9.192 ( -2.165 -3.129 0.000) 3.805 9.635 ( 1.040 1.922 0.000) 2.185 9.657 ( -0.966 2.318 0.000) 2.511 9.661 ( 1.407 -0.190 0.000) 1.420 9.688 ( -0.989 0.174 0.000) 1.005 ======================= Grid point 35 (22/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 0.000 -1.655 0.000) 1.655 1.576 ( 0.000 1.655 0.000) 1.655 1.628 ( 0.000 -0.866 0.000) 0.866 1.628 ( 0.000 0.866 0.000) 0.866 1.952 ( 0.000 -1.161 0.000) 1.161 1.952 ( 0.000 1.161 0.000) 1.161 2.077 ( 0.000 -0.593 0.000) 0.593 2.077 ( 0.000 0.593 0.000) 0.593 2.332 ( 0.000 -7.799 0.000) 7.799 2.332 ( 0.000 7.799 0.000) 7.799 2.351 ( 0.000 -4.997 0.000) 4.997 2.351 ( 0.000 4.997 0.000) 4.997 2.611 ( 0.000 -2.587 0.000) 2.587 2.611 ( 0.000 2.587 0.000) 2.587 2.696 ( 0.000 -1.876 0.000) 1.876 2.696 ( 0.000 1.876 0.000) 1.876 3.748 ( 0.000 -9.695 0.000) 9.695 3.748 ( 0.000 9.695 0.000) 9.695 3.769 ( 0.000 -10.352 0.000) 10.352 3.769 ( 0.000 10.352 0.000) 10.352 5.117 ( 0.000 -1.040 0.000) 1.040 5.117 ( 0.000 1.040 0.000) 1.040 5.147 ( 0.000 -0.538 0.000) 0.538 5.147 ( 0.000 0.538 0.000) 0.538 5.478 ( 0.000 -0.610 0.000) 0.610 5.478 ( 0.000 0.610 0.000) 0.610 5.527 ( 0.000 -0.023 0.000) 0.023 5.527 ( 0.000 0.023 0.000) 0.023 6.357 ( 0.000 -3.218 0.000) 3.218 6.357 ( 0.000 3.218 0.000) 3.218 6.629 ( 0.000 -3.564 0.000) 3.564 6.629 ( 0.000 3.564 0.000) 3.564 6.929 ( 0.000 -0.027 0.000) 0.027 6.929 ( 0.000 0.027 0.000) 0.027 7.026 ( 0.000 -2.618 0.000) 2.618 7.026 ( 0.000 2.618 0.000) 2.618 7.164 ( 0.000 -0.960 0.000) 0.960 7.164 ( 0.000 0.960 0.000) 0.960 7.282 ( 0.000 -2.901 0.000) 2.901 7.282 ( 0.000 2.901 0.000) 2.901 7.533 ( 0.000 -0.306 0.000) 0.306 7.533 ( 0.000 0.306 0.000) 0.306 7.712 ( 0.000 -2.505 0.000) 2.505 7.712 ( 0.000 2.505 0.000) 2.505 8.132 ( 0.000 -5.098 0.000) 5.098 8.132 ( 0.000 5.098 0.000) 5.098 8.165 ( 0.000 -3.626 0.000) 3.626 8.165 ( 0.000 3.627 0.000) 3.627 8.474 ( 0.000 -0.912 0.000) 0.912 8.474 ( 0.000 0.912 0.000) 0.912 8.489 ( 0.000 -0.588 0.000) 0.588 8.489 ( 0.000 0.588 0.000) 0.588 9.059 ( 0.000 -0.338 0.000) 0.338 9.059 ( 0.000 0.338 0.000) 0.338 9.214 ( 0.000 -1.361 0.000) 1.361 9.214 ( 0.000 1.361 0.000) 1.361 9.608 ( 0.000 -0.009 0.000) 0.009 9.608 ( 0.000 0.009 0.000) 0.009 9.704 ( 0.000 -0.277 0.000) 0.277 9.704 ( 0.000 0.277 0.000) 0.277 ======================= Grid point 37 (23/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( -0.589 -1.627 0.000) 1.730 1.568 ( -0.589 1.627 0.000) 1.730 1.609 ( -1.540 -1.075 0.000) 1.877 1.609 ( -1.540 1.075 0.000) 1.877 1.959 ( 0.673 -4.273 0.000) 4.326 1.959 ( 0.673 4.274 0.000) 4.326 2.056 ( -1.668 -4.743 0.000) 5.028 2.056 ( -1.668 4.744 0.000) 5.028 2.340 ( 0.559 -6.959 0.000) 6.981 2.340 ( 0.559 6.959 0.000) 6.981 2.360 ( 0.542 -3.652 0.000) 3.692 2.360 ( 0.542 3.652 0.000) 3.692 2.637 ( 2.146 -3.507 0.000) 4.112 2.637 ( 2.146 3.507 0.000) 4.112 2.694 ( -0.026 -1.741 0.000) 1.741 2.694 ( -0.026 1.741 0.000) 1.741 3.742 ( -0.593 -10.661 0.000) 10.677 3.742 ( -0.593 10.661 0.000) 10.677 3.754 ( -1.200 -10.837 0.000) 10.903 3.754 ( -1.200 10.837 0.000) 10.903 5.122 ( 0.428 -1.867 0.000) 1.916 5.122 ( 0.428 1.867 0.000) 1.916 5.144 ( -0.287 -1.894 0.000) 1.916 5.144 ( -0.287 1.894 0.000) 1.916 5.488 ( 0.778 -2.126 0.000) 2.264 5.488 ( 0.778 2.126 0.000) 2.264 5.522 ( -0.401 -2.195 0.000) 2.231 5.522 ( -0.401 2.195 0.000) 2.232 6.346 ( -0.573 -2.869 0.000) 2.925 6.346 ( -0.573 2.869 0.000) 2.925 6.564 ( -5.329 -4.070 0.000) 6.705 6.564 ( -5.329 4.070 0.000) 6.705 6.963 ( 2.637 -0.372 0.000) 2.663 6.963 ( 2.637 0.372 0.000) 2.663 7.043 ( 1.156 -2.290 0.000) 2.565 7.043 ( 1.156 2.290 0.000) 2.565 7.172 ( 0.758 -1.140 0.000) 1.369 7.172 ( 0.758 1.140 0.000) 1.369 7.262 ( -1.534 -2.957 0.000) 3.331 7.262 ( -1.534 2.957 0.000) 3.331 7.540 ( 0.765 -2.912 0.000) 3.010 7.540 ( 0.765 2.912 0.000) 3.010 7.694 ( -1.754 -4.321 0.000) 4.663 7.694 ( -1.754 4.321 0.000) 4.663 8.142 ( 0.895 -5.833 0.000) 5.902 8.142 ( 0.895 5.833 0.000) 5.902 8.178 ( 0.813 -5.027 0.000) 5.092 8.178 ( 0.813 5.027 0.000) 5.092 8.479 ( 0.599 -0.568 0.000) 0.826 8.479 ( 0.599 0.568 0.000) 0.826 8.503 ( 1.122 -1.171 0.000) 1.621 8.503 ( 1.122 1.171 0.000) 1.621 9.068 ( 0.733 -1.342 0.000) 1.529 9.068 ( 0.733 1.342 0.000) 1.529 9.183 ( -2.514 -2.602 0.000) 3.618 9.183 ( -2.514 2.602 0.000) 3.618 9.623 ( 1.223 -0.134 0.000) 1.230 9.623 ( 1.223 0.134 0.000) 1.230 9.699 ( -0.481 -0.477 0.000) 0.677 9.699 ( -0.481 0.477 0.000) 0.677 ======================= Grid point 39 (24/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 0.036 -1.543 0.000) 1.544 1.560 ( 0.036 1.543 0.000) 1.544 1.575 ( -1.324 -1.379 0.000) 1.912 1.575 ( -1.324 1.379 0.000) 1.912 1.981 ( 1.365 -7.162 0.000) 7.291 1.981 ( 1.365 7.162 0.000) 7.291 2.016 ( -1.807 -7.404 0.000) 7.621 2.016 ( -1.807 7.404 0.000) 7.621 2.353 ( 0.597 -4.390 0.000) 4.431 2.353 ( 0.597 4.390 0.000) 4.431 2.364 ( -0.253 -0.298 0.000) 0.391 2.364 ( -0.253 0.298 0.000) 0.391 2.683 ( 1.541 -3.187 0.000) 3.540 2.683 ( 1.541 3.187 0.000) 3.540 2.697 ( 0.062 -1.525 0.000) 1.526 2.697 ( 0.062 1.525 0.000) 1.526 3.728 ( -0.501 -12.069 0.000) 12.079 3.728 ( -0.501 12.069 0.000) 12.079 3.729 ( -0.748 -11.924 0.000) 11.947 3.729 ( -0.748 11.924 0.000) 11.947 5.131 ( 0.375 -2.682 0.000) 2.708 5.131 ( 0.375 2.682 0.000) 2.708 5.138 ( -0.244 -2.742 0.000) 2.753 5.138 ( -0.244 2.742 0.000) 2.753 5.505 ( 0.600 -3.355 0.000) 3.408 5.505 ( 0.600 3.355 0.000) 3.409 5.514 ( -0.345 -3.442 0.000) 3.460 5.514 ( -0.345 3.443 0.000) 3.460 6.356 ( 1.948 -3.816 0.000) 4.285 6.356 ( 1.948 3.816 0.000) 4.285 6.438 ( -5.370 -4.558 0.000) 7.044 6.438 ( -5.370 4.558 0.000) 7.044 7.021 ( 2.315 -0.892 0.000) 2.480 7.021 ( 2.315 0.892 0.000) 2.480 7.053 ( -0.512 -1.309 0.000) 1.406 7.053 ( -0.512 1.309 0.000) 1.406 7.197 ( 1.429 -1.258 0.000) 1.904 7.197 ( 1.429 1.258 0.000) 1.904 7.228 ( -1.457 -2.140 0.000) 2.589 7.228 ( -1.457 2.140 0.000) 2.589 7.573 ( 2.358 -4.804 0.000) 5.352 7.573 ( 2.358 4.804 0.000) 5.352 7.637 ( -3.201 -5.550 0.000) 6.407 7.637 ( -3.201 5.550 0.000) 6.407 8.167 ( 1.186 -7.376 0.000) 7.470 8.167 ( 1.186 7.376 0.000) 7.471 8.185 ( -0.321 -7.196 0.000) 7.204 8.185 ( -0.321 7.196 0.000) 7.204 8.503 ( 1.411 -0.466 0.000) 1.486 8.503 ( 1.411 0.466 0.000) 1.486 8.521 ( 0.068 -1.494 0.000) 1.496 8.521 ( 0.068 1.494 0.000) 1.496 9.087 ( 1.121 -3.393 0.000) 3.574 9.087 ( 1.121 3.393 0.000) 3.574 9.125 ( -2.413 -3.992 0.000) 4.665 9.125 ( -2.413 3.992 0.000) 4.665 9.654 ( 1.491 -0.460 0.000) 1.561 9.654 ( 1.491 0.460 0.000) 1.561 9.682 ( -1.040 -0.652 0.000) 1.228 9.682 ( -1.040 0.652 0.000) 1.228 ======================= Grid point 75 (25/72) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 0.000 0.000 16.687) 16.687 0.334 ( 0.000 0.000 17.250) 17.250 0.618 ( 0.000 0.000 30.097) 30.097 0.844 ( 0.000 0.000 -8.455) 8.455 0.849 ( 0.000 0.000 -7.021) 7.021 1.340 ( 0.000 0.000 -0.639) 0.639 1.498 ( 0.000 0.000 -0.241) 0.241 1.532 ( 0.000 0.000 0.956) 0.956 1.561 ( 0.000 0.000 -0.413) 0.413 1.587 ( 0.000 0.000 -7.485) 7.485 1.909 ( 0.000 0.000 -3.204) 3.204 1.918 ( 0.000 0.000 -4.823) 4.823 2.050 ( 0.000 0.000 1.170) 1.170 2.096 ( 0.000 0.000 -0.805) 0.805 2.170 ( 0.000 0.000 -4.038) 4.038 2.273 ( 0.000 0.000 -8.440) 8.440 2.462 ( 0.000 0.000 0.448) 0.448 2.484 ( 0.000 0.000 -0.503) 0.503 2.498 ( 0.000 0.000 7.612) 7.612 2.604 ( 0.000 0.000 2.722) 2.722 3.501 ( 0.000 0.000 3.205) 3.205 3.600 ( 0.000 0.000 -1.322) 1.322 4.708 ( 0.000 0.000 -0.115) 0.115 4.715 ( 0.000 0.000 -0.591) 0.591 5.186 ( 0.000 0.000 2.398) 2.398 5.307 ( 0.000 0.000 -2.703) 2.703 5.317 ( 0.000 0.000 8.608) 8.608 5.667 ( 0.000 0.000 1.931) 1.931 5.679 ( 0.000 0.000 -6.924) 6.924 5.753 ( 0.000 0.000 -1.649) 1.649 5.814 ( 0.000 0.000 3.281) 3.281 5.957 ( 0.000 0.000 -2.990) 2.990 6.451 ( 0.000 0.000 0.725) 0.725 6.487 ( 0.000 0.000 -0.835) 0.835 6.526 ( 0.000 0.000 0.290) 0.290 6.536 ( 0.000 0.000 -0.166) 0.166 6.914 ( 0.000 0.000 2.976) 2.976 7.097 ( 0.000 0.000 -5.898) 5.898 7.108 ( 0.000 0.000 0.562) 0.562 7.134 ( 0.000 0.000 -0.561) 0.561 7.372 ( 0.000 0.000 5.474) 5.474 7.427 ( 0.000 0.000 0.432) 0.432 7.446 ( 0.000 0.000 -0.378) 0.378 7.525 ( 0.000 0.000 -1.871) 1.871 7.745 ( 0.000 0.000 -0.534) 0.534 7.788 ( 0.000 0.000 -1.835) 1.835 8.041 ( 0.000 0.000 6.282) 6.282 8.382 ( 0.000 0.000 -10.055) 10.055 8.443 ( 0.000 0.000 1.895) 1.895 8.540 ( 0.000 0.000 -2.591) 2.591 8.868 ( 0.000 0.000 6.095) 6.095 9.001 ( 0.000 0.000 -1.295) 1.295 9.262 ( 0.000 0.000 4.481) 4.481 9.374 ( 0.000 0.000 -2.332) 2.332 9.519 ( 0.000 0.000 2.072) 2.072 9.553 ( 0.000 0.000 3.391) 3.391 9.653 ( 0.000 0.000 0.977) 0.977 9.783 ( 0.000 0.000 -5.394) 5.394 10.026 ( 0.000 0.000 -0.646) 0.646 10.033 ( 0.000 0.000 -1.022) 1.022 ======================= Grid point 76 (26/72) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 10.839 0.000 6.593) 12.687 0.647 ( 20.410 0.000 7.566) 21.767 0.797 ( 6.388 0.000 -4.040) 7.559 0.907 ( 11.691 0.000 12.294) 16.966 0.963 ( 9.494 0.000 -6.255) 11.369 1.309 ( -3.027 0.000 -1.188) 3.252 1.504 ( -2.647 0.000 0.697) 2.737 1.524 ( -3.591 0.000 -0.257) 3.600 1.542 ( 3.257 0.000 -1.641) 3.647 1.574 ( -0.389 0.000 -6.033) 6.045 1.820 ( -4.099 0.000 2.099) 4.605 2.038 ( 6.019 0.000 -1.002) 6.102 2.057 ( 0.614 0.000 1.027) 1.196 2.082 ( -0.121 0.000 -1.879) 1.883 2.097 ( 0.057 0.000 -0.718) 0.721 2.158 ( -6.897 0.000 -6.861) 9.728 2.430 ( -1.564 0.000 8.827) 8.965 2.443 ( -1.546 0.000 0.361) 1.588 2.461 ( -1.894 0.000 -0.427) 1.942 2.638 ( -2.169 0.000 3.235) 3.894 3.502 ( 0.436 0.000 0.330) 0.547 3.574 ( -1.068 0.000 -0.526) 1.191 4.651 ( -4.335 0.000 0.103) 4.336 4.663 ( -4.654 0.000 -0.159) 4.657 5.226 ( 3.430 0.000 2.159) 4.053 5.332 ( 2.122 0.000 -2.336) 3.156 5.405 ( 5.405 0.000 3.463) 6.419 5.541 ( -1.918 0.000 1.053) 2.189 5.637 ( -2.516 0.000 1.677) 3.023 5.714 ( -3.339 0.000 -1.504) 3.662 5.765 ( -3.557 0.000 2.594) 4.402 5.878 ( -6.588 0.000 -2.135) 6.925 6.448 ( -0.082 0.000 0.744) 0.748 6.490 ( -0.191 0.000 -1.195) 1.210 6.524 ( -0.032 0.000 0.609) 0.610 6.537 ( 0.212 0.000 -0.132) 0.249 7.066 ( 6.449 0.000 2.716) 6.998 7.145 ( 3.130 0.000 0.377) 3.152 7.164 ( 2.459 0.000 -0.400) 2.491 7.253 ( 1.135 0.000 -3.915) 4.076 7.409 ( -1.541 0.000 0.403) 1.593 7.427 ( -1.693 0.000 -0.351) 1.729 7.569 ( 4.483 0.000 -3.664) 5.789 7.638 ( 3.811 0.000 -6.757) 7.758 7.767 ( 4.067 0.000 0.824) 4.150 7.848 ( 7.433 0.000 -2.732) 7.919 8.117 ( 2.952 0.000 1.986) 3.558 8.333 ( -3.139 0.000 -8.404) 8.971 8.571 ( 3.141 0.000 -0.250) 3.151 8.701 ( 11.100 0.000 -10.885) 15.546 8.888 ( 0.912 0.000 3.518) 3.635 9.036 ( 3.797 0.000 -5.752) 6.892 9.225 ( -1.873 0.000 5.392) 5.708 9.382 ( 0.480 0.000 -3.062) 3.100 9.528 ( 1.462 0.000 2.104) 2.562 9.552 ( 0.083 0.000 3.090) 3.091 9.639 ( -1.247 0.000 0.482) 1.337 9.768 ( -1.241 0.000 -5.420) 5.560 9.883 ( -7.201 0.000 7.893) 10.684 9.977 ( -4.272 0.000 -0.814) 4.349 ======================= Grid point 77 (27/72) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.735 ( 13.705 0.000 -1.595) 13.797 0.934 ( 3.416 0.000 -8.762) 9.405 1.036 ( 0.261 0.000 0.129) 0.291 1.054 ( 15.412 0.000 2.484) 15.611 1.170 ( 6.947 0.000 -2.451) 7.367 1.214 ( -7.779 0.000 -7.173) 10.582 1.405 ( -6.393 0.000 0.220) 6.397 1.417 ( -5.068 0.000 -0.214) 5.073 1.588 ( 4.500 0.000 -0.109) 4.501 1.644 ( 2.438 0.000 0.660) 2.526 1.778 ( 1.867 0.000 5.476) 5.785 1.926 ( -8.555 0.000 -1.404) 8.670 2.076 ( 1.048 0.000 0.471) 1.149 2.094 ( -0.490 0.000 -0.307) 0.579 2.126 ( 6.251 0.000 2.959) 6.916 2.303 ( -2.950 0.000 6.722) 7.341 2.354 ( 7.147 0.000 -2.260) 7.495 2.411 ( -0.861 0.000 0.120) 0.869 2.419 ( -1.523 0.000 -0.205) 1.537 2.556 ( -6.178 0.000 -0.606) 6.207 3.512 ( 1.015 0.000 0.164) 1.028 3.548 ( -1.731 0.000 -0.974) 1.986 4.564 ( -2.593 0.000 0.012) 2.593 4.568 ( -2.881 0.000 0.010) 2.881 5.317 ( 4.358 0.000 1.376) 4.570 5.371 ( 0.272 0.000 -0.756) 0.803 5.534 ( 6.825 0.000 1.478) 6.983 5.577 ( 3.794 0.000 0.132) 3.796 5.587 ( -0.876 0.000 0.486) 1.002 5.628 ( -3.868 0.000 -1.095) 4.020 5.670 ( -4.860 0.000 1.173) 4.999 5.707 ( -8.369 0.000 -0.196) 8.372 6.453 ( 0.554 0.000 0.467) 0.725 6.472 ( -1.102 0.000 -0.297) 1.141 6.533 ( 0.565 0.000 0.064) 0.568 6.540 ( -0.058 0.000 -0.203) 0.211 7.187 ( 4.439 0.000 2.967) 5.340 7.218 ( 2.739 0.000 0.076) 2.740 7.222 ( 2.232 0.000 -0.074) 2.233 7.251 ( -1.317 0.000 0.685) 1.485 7.370 ( -1.454 0.000 0.214) 1.469 7.380 ( -2.151 0.000 -0.199) 2.160 7.593 ( 0.226 0.000 -2.944) 2.953 7.623 ( -2.229 0.000 -3.175) 3.879 7.919 ( 6.586 0.000 1.190) 6.692 7.976 ( 2.105 0.000 0.546) 2.174 8.163 ( 2.732 0.000 -1.636) 3.184 8.249 ( -4.330 0.000 -5.565) 7.051 8.691 ( 7.893 0.000 1.846) 8.106 8.805 ( 0.439 0.000 -3.009) 3.041 8.884 ( -0.041 0.000 4.449) 4.450 8.972 ( -7.750 0.000 3.021) 8.318 9.289 ( 4.686 0.000 -4.512) 6.505 9.366 ( -2.320 0.000 -4.098) 4.709 9.565 ( 1.357 0.000 1.071) 1.729 9.601 ( -1.305 0.000 1.034) 1.666 9.618 ( 5.393 0.000 -0.755) 5.446 9.728 ( -3.305 0.000 -3.741) 4.992 9.805 ( 0.114 0.000 4.045) 4.046 9.868 ( -4.897 0.000 0.164) 4.899 ======================= Grid point 80 (28/72) ======================= q-point: ( 0.00 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.442 ( 0.000 14.086 4.906) 14.916 0.520 ( 0.000 11.517 9.070) 14.660 0.895 ( 0.000 10.871 4.103) 11.620 0.960 ( 0.000 26.171 6.448) 26.954 1.014 ( 0.000 13.072 -4.757) 13.911 1.332 ( 0.000 -0.204 -1.378) 1.393 1.502 ( 0.000 1.255 0.053) 1.256 1.575 ( 0.000 3.673 -3.467) 5.051 1.618 ( 0.000 5.085 0.629) 5.124 1.647 ( 0.000 5.855 -1.053) 5.949 1.858 ( 0.000 1.191 -2.166) 2.472 1.911 ( 0.000 1.874 -2.812) 3.379 2.092 ( 0.000 -1.592 3.641) 3.974 2.124 ( 0.000 3.024 1.890) 3.566 2.180 ( 0.000 4.473 -0.761) 4.537 2.285 ( 0.000 6.278 -10.325) 12.084 2.462 ( 0.000 10.643 4.055) 11.390 2.562 ( 0.000 8.622 -0.071) 8.622 2.642 ( 0.000 12.836 1.400) 12.912 2.678 ( 0.000 12.432 1.570) 12.531 3.540 ( 0.000 4.918 2.516) 5.524 3.601 ( 0.000 6.279 -0.157) 6.281 4.703 ( 0.000 -0.321 -0.342) 0.469 4.705 ( 0.000 -0.774 -0.598) 0.978 5.235 ( 0.000 -3.649 4.531) 5.818 5.403 ( 0.000 -1.054 -3.781) 3.925 5.704 ( 0.000 15.396 5.577) 16.375 5.764 ( 0.000 -3.235 2.123) 3.869 5.871 ( 0.000 19.228 1.536) 19.289 5.940 ( 0.000 17.038 -0.970) 17.065 6.058 ( 0.000 20.558 1.546) 20.616 6.525 ( 0.000 9.273 -0.709) 9.300 6.567 ( 0.000 3.174 0.067) 3.175 6.571 ( 0.000 5.818 -0.457) 5.835 6.579 ( 0.000 7.638 -0.421) 7.650 6.750 ( 0.000 19.761 -22.552) 29.985 6.920 ( 0.000 0.453 2.880) 2.916 7.037 ( 0.000 -1.999 -0.461) 2.052 7.172 ( 0.000 4.770 0.307) 4.780 7.298 ( 0.000 3.963 -3.328) 5.175 7.410 ( 0.000 -1.483 0.350) 1.523 7.440 ( 0.000 -0.510 -0.230) 0.560 7.551 ( 0.000 2.441 -1.044) 2.655 7.732 ( 0.000 -1.194 -0.344) 1.242 7.743 ( 0.000 7.493 -12.466) 14.545 7.840 ( 0.000 35.768 -36.272) 50.942 8.049 ( 0.000 0.521 6.198) 6.220 8.389 ( 0.000 0.809 -10.496) 10.527 8.421 ( 0.000 -1.926 1.746) 2.600 8.509 ( 0.000 -2.450 -2.193) 3.288 8.878 ( 0.000 1.457 4.755) 4.973 8.992 ( 0.000 -0.796 -1.150) 1.399 9.211 ( 0.000 -5.266 5.191) 7.395 9.349 ( 0.000 -2.646 -2.551) 3.675 9.494 ( 0.000 -2.313 1.388) 2.697 9.524 ( 0.000 -2.928 3.205) 4.341 9.635 ( 0.000 -1.828 0.955) 2.062 9.736 ( 0.000 -4.458 -4.823) 6.568 9.831 ( 0.000 -14.648 9.553) 17.488 9.946 ( 0.000 -7.726 -1.311) 7.836 ======================= Grid point 81 (29/72) ======================= q-point: ( 0.20 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( 7.504 5.531 3.170) 9.846 0.610 ( 7.369 4.248 3.634) 9.249 0.896 ( 2.322 5.057 -0.206) 5.568 1.140 ( 9.169 15.002 -4.334) 18.108 1.177 ( 9.076 16.440 3.905) 19.181 1.324 ( 1.336 5.615 -1.354) 5.929 1.523 ( 0.260 0.856 0.188) 0.914 1.536 ( -1.840 1.936 -3.715) 4.576 1.609 ( -0.184 8.386 1.118) 8.462 1.654 ( 0.878 6.738 0.116) 6.796 1.818 ( -3.506 1.362 0.215) 3.767 1.921 ( -0.571 -3.721 -1.700) 4.131 2.064 ( -1.854 1.125 1.027) 2.400 2.092 ( -3.705 2.606 0.625) 4.573 2.175 ( 1.069 2.119 0.299) 2.392 2.281 ( 1.444 9.610 -5.640) 11.236 2.529 ( 4.020 13.297 3.418) 14.306 2.577 ( 1.498 11.547 0.721) 11.666 2.625 ( -1.724 14.406 0.264) 14.511 2.698 ( 1.339 11.682 0.359) 11.764 3.542 ( 0.082 4.834 1.725) 5.133 3.604 ( -0.090 5.265 -0.686) 5.310 4.652 ( -4.014 -0.196 -0.312) 4.031 4.652 ( -4.170 -0.112 -0.354) 4.187 5.263 ( 2.718 -2.758 4.082) 5.627 5.412 ( 1.067 -0.583 -2.892) 3.137 5.663 ( -3.718 8.796 3.167) 10.062 5.710 ( -4.492 -2.572 1.275) 5.331 5.867 ( -0.362 22.450 1.604) 22.510 5.925 ( -1.400 18.269 -0.770) 18.339 5.989 ( -4.801 20.840 0.063) 21.386 6.202 ( -23.285 44.579 -7.688) 50.878 6.530 ( -0.638 7.824 0.552) 7.870 6.545 ( -1.093 4.317 -0.064) 4.453 6.587 ( 0.560 7.185 -0.228) 7.210 6.588 ( 0.825 5.320 -0.207) 5.388 7.006 ( 2.859 -4.099 2.060) 5.405 7.091 ( 2.775 -4.685 -1.213) 5.579 7.223 ( 2.866 4.522 0.284) 5.361 7.262 ( -2.059 0.878 -0.872) 2.402 7.427 ( 1.501 1.294 0.658) 2.088 7.440 ( 0.169 1.240 -0.188) 1.266 7.598 ( 2.112 2.259 -2.028) 3.698 7.715 ( -3.135 4.741 -5.272) 7.752 7.750 ( 2.668 -1.437 1.310) 3.302 7.852 ( 5.512 2.035 -6.107) 8.474 8.145 ( 2.024 2.868 -0.022) 3.510 8.322 ( -2.861 -1.343 -8.168) 8.758 8.543 ( 3.763 -2.448 -0.066) 4.489 8.684 ( 9.510 -1.701 -10.064) 13.951 8.890 ( -0.072 0.199 2.988) 2.996 9.029 ( 2.824 -0.724 -5.537) 6.257 9.183 ( -0.770 -4.095 5.285) 6.730 9.354 ( 0.243 -2.865 -3.247) 4.337 9.505 ( 1.420 -2.296 1.768) 3.227 9.521 ( -0.028 -3.101 2.871) 4.226 9.619 ( -1.441 -1.889 0.433) 2.415 9.725 ( -0.954 -4.146 -4.683) 6.327 9.759 ( -4.060 -10.802 9.376) 14.869 9.902 ( -3.819 -7.084 -1.438) 8.176 ======================= Grid point 82 (30/72) ======================= q-point: ( 0.40 0.07 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 12.092 -1.804 -3.374) 12.682 0.793 ( 5.508 -4.608 -3.860) 8.153 1.009 ( 6.238 1.322 -0.318) 6.384 1.142 ( -5.856 0.137 -2.286) 6.288 1.305 ( 2.939 13.568 -3.672) 14.360 1.359 ( -0.666 13.745 -1.683) 13.864 1.466 ( -1.439 3.552 -0.516) 3.867 1.531 ( -2.758 1.789 -4.069) 5.231 1.673 ( 3.618 10.787 1.826) 11.523 1.714 ( 5.540 9.004 1.684) 10.705 1.747 ( -1.336 -0.503 4.636) 4.850 1.855 ( -4.851 -6.690 0.141) 8.264 2.025 ( -1.476 5.288 -0.030) 5.490 2.028 ( -1.411 1.473 -0.629) 2.134 2.242 ( 4.018 2.367 2.212) 5.161 2.301 ( -0.752 1.880 1.397) 2.459 2.572 ( 0.262 14.963 0.788) 14.986 2.582 ( -1.256 14.840 0.607) 14.906 2.653 ( 4.151 19.872 -0.991) 20.325 2.710 ( -0.701 17.369 -0.432) 17.389 3.548 ( 0.872 4.471 0.837) 4.632 3.583 ( -1.821 4.342 -0.528) 4.738 4.568 ( -2.368 0.421 -0.221) 2.415 4.572 ( -2.525 0.741 -0.322) 2.651 5.357 ( 5.772 -1.049 2.956) 6.569 5.446 ( 0.624 0.312 -0.532) 0.877 5.559 ( -3.999 -0.333 1.014) 4.139 5.598 ( -5.059 -1.951 -0.077) 5.422 5.866 ( 0.513 23.764 0.344) 23.772 5.888 ( -1.591 21.607 -0.533) 21.672 5.906 ( -2.253 24.888 -0.266) 24.991 5.924 ( -4.823 33.529 -0.891) 33.886 6.522 ( -0.149 6.700 0.392) 6.713 6.526 ( -0.577 5.224 0.258) 5.262 6.599 ( 0.428 6.641 -0.080) 6.655 6.601 ( 0.272 6.084 -0.158) 6.092 7.075 ( 3.263 -7.263 2.254) 8.275 7.124 ( -0.498 -7.776 0.240) 7.795 7.238 ( 0.303 0.861 0.394) 0.994 7.253 ( -0.125 1.604 -0.188) 1.620 7.446 ( 0.828 4.255 0.239) 4.342 7.456 ( 0.406 4.760 0.510) 4.804 7.600 ( -0.045 0.922 -2.450) 2.618 7.636 ( -3.118 1.393 -2.469) 4.214 7.883 ( 5.620 -3.721 1.205) 6.847 7.936 ( 1.093 -3.989 0.140) 4.138 8.179 ( 2.305 1.537 -2.211) 3.545 8.250 ( -3.655 0.195 -5.861) 6.910 8.675 ( 8.037 -1.427 1.739) 8.346 8.782 ( 0.686 -2.366 -2.755) 3.696 8.872 ( -0.395 -1.072 4.622) 4.761 8.953 ( -7.270 -1.918 3.484) 8.287 9.260 ( 4.619 -2.946 -4.777) 7.268 9.335 ( -2.314 -3.115 -4.374) 5.847 9.535 ( 1.364 -3.335 1.154) 3.784 9.574 ( 0.773 -4.143 -0.607) 4.258 9.579 ( 1.862 -2.580 2.140) 3.834 9.674 ( -3.539 -6.168 0.735) 7.149 9.735 ( 1.472 -5.565 0.411) 5.771 9.804 ( -4.514 -5.885 -0.910) 7.473 ======================= Grid point 85 (31/72) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 0.000 13.050 5.459) 14.146 0.798 ( 0.000 20.104 -1.604) 20.168 1.082 ( 0.000 10.329 -4.538) 11.282 1.178 ( 0.000 3.433 -3.754) 5.087 1.370 ( 0.000 4.045 0.431) 4.067 1.385 ( 0.000 7.639 3.600) 8.445 1.685 ( 0.000 21.329 2.560) 21.482 1.720 ( 0.000 11.272 0.711) 11.294 1.764 ( 0.000 7.152 -3.748) 8.074 1.787 ( 0.000 11.549 0.019) 11.549 1.928 ( 0.000 4.626 1.318) 4.810 1.974 ( 0.000 2.493 -2.098) 3.258 2.127 ( 0.000 4.386 -0.510) 4.416 2.187 ( 0.000 3.134 -1.636) 3.536 2.264 ( 0.000 11.689 5.054) 12.735 2.512 ( 0.000 12.439 -7.314) 14.430 2.807 ( 0.000 23.723 1.738) 23.787 2.896 ( 0.000 24.791 -1.891) 24.863 2.902 ( 0.000 12.904 1.991) 13.056 2.971 ( 0.000 14.991 -0.702) 15.007 3.724 ( 0.000 14.843 2.693) 15.086 3.819 ( 0.000 16.022 -1.566) 16.099 4.681 ( 0.000 -1.976 -0.238) 1.991 4.688 ( 0.000 -1.411 -0.361) 1.456 5.168 ( 0.000 -2.858 5.170) 5.907 5.360 ( 0.000 -2.682 -3.320) 4.268 5.677 ( 0.000 -5.285 2.192) 5.722 5.726 ( 0.000 -4.666 0.243) 4.673 6.295 ( 0.000 16.339 -0.017) 16.339 6.299 ( 0.000 20.054 -0.182) 20.055 6.529 ( 0.000 14.201 5.363) 15.180 6.646 ( 0.000 6.133 0.116) 6.134 6.710 ( 0.000 9.504 0.697) 9.529 6.746 ( 0.000 13.162 1.104) 13.208 6.813 ( 0.000 16.052 -1.736) 16.146 6.886 ( 0.000 2.967 -6.156) 6.833 6.924 ( 0.000 -0.160 2.406) 2.412 6.999 ( 0.000 -1.934 0.029) 1.935 7.342 ( 0.000 1.654 0.514) 1.732 7.350 ( 0.000 9.791 0.204) 9.793 7.386 ( 0.000 1.203 1.249) 1.734 7.428 ( 0.000 -0.739 -0.271) 0.787 7.611 ( 0.000 3.799 2.034) 4.309 7.701 ( 0.000 -3.592 -1.320) 3.827 7.717 ( 0.000 1.219 1.219) 1.724 8.040 ( 0.000 -1.868 6.329) 6.598 8.209 ( 0.000 -1.637 -17.642) 17.718 8.396 ( 0.000 0.366 1.580) 1.622 8.410 ( 0.000 1.986 -12.669) 12.824 8.523 ( 0.000 3.000 -8.988) 9.476 8.932 ( 0.000 2.910 -0.867) 3.036 8.974 ( 0.000 -1.047 -0.638) 1.226 9.066 ( 0.000 -9.258 6.514) 11.321 9.268 ( 0.000 -5.957 -3.200) 6.762 9.442 ( 0.000 -2.810 0.149) 2.814 9.444 ( 0.000 -4.994 2.217) 5.464 9.564 ( 0.000 -6.922 5.834) 9.052 9.626 ( 0.000 -3.779 3.326) 5.034 9.645 ( 0.000 -3.964 -2.948) 4.940 9.758 ( 0.000 -10.690 -2.036) 10.882 ======================= Grid point 86 (32/72) ======================= q-point: ( 0.20 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -2.708 19.890 -1.075) 20.102 0.790 ( 1.896 12.314 1.027) 12.501 1.024 ( -1.083 7.163 -0.733) 7.281 1.229 ( -0.054 0.947 -5.496) 5.577 1.385 ( 3.549 5.884 1.419) 7.017 1.470 ( 3.682 1.373 -0.580) 3.972 1.686 ( -2.501 10.835 -1.738) 11.255 1.705 ( -2.637 14.130 -1.621) 14.465 1.784 ( 4.068 11.605 3.069) 12.675 1.837 ( 0.988 10.770 1.791) 10.962 1.891 ( -1.763 6.535 -0.532) 6.789 1.932 ( -0.367 7.869 -0.895) 7.928 2.123 ( -0.218 4.568 0.295) 4.582 2.210 ( 1.774 5.714 -2.103) 6.342 2.259 ( -0.201 10.502 5.123) 11.686 2.465 ( -3.798 10.022 -4.386) 11.580 2.876 ( 0.676 15.984 1.151) 16.039 2.907 ( 6.559 23.468 0.816) 24.381 2.936 ( -0.770 16.328 -0.286) 16.349 3.025 ( 6.354 21.916 -2.325) 22.936 3.722 ( -0.280 14.471 2.383) 14.668 3.802 ( -1.607 15.235 -1.175) 15.364 4.640 ( -3.190 -1.027 -0.072) 3.352 4.652 ( -2.873 -0.403 -0.460) 2.937 5.206 ( 3.476 -2.656 4.542) 6.306 5.372 ( 1.208 -2.636 -2.681) 3.949 5.635 ( -3.579 -4.560 1.618) 6.018 5.662 ( -5.394 -3.931 0.562) 6.698 6.304 ( 0.710 17.280 -0.287) 17.297 6.307 ( 0.596 19.754 -0.402) 19.767 6.512 ( -1.936 19.927 4.131) 20.442 6.629 ( -1.288 5.724 0.287) 5.874 6.707 ( -4.370 9.754 0.117) 10.688 6.720 ( -2.608 11.500 -1.553) 11.893 6.762 ( -1.845 13.641 -0.107) 13.766 6.801 ( -1.192 14.413 -1.434) 14.534 6.953 ( 0.012 -0.528 1.080) 1.202 7.001 ( 0.708 -3.505 -1.207) 3.774 7.280 ( -2.631 0.958 0.999) 2.973 7.326 ( -1.400 5.330 -0.878) 5.580 7.445 ( 2.790 0.346 0.636) 2.882 7.470 ( 2.574 1.580 -0.236) 3.030 7.668 ( 1.067 5.424 1.427) 5.709 7.689 ( 1.903 -3.812 0.341) 4.274 7.723 ( -0.067 -2.087 1.581) 2.619 7.940 ( -5.934 3.553 -2.191) 7.256 8.226 ( -1.012 4.790 -6.467) 8.111 8.267 ( -1.381 -3.874 -5.838) 7.141 8.512 ( 4.687 0.283 -0.740) 4.754 8.638 ( 5.839 -2.942 -6.706) 9.366 8.895 ( -2.261 0.231 2.890) 3.677 8.991 ( -1.537 -4.494 -0.370) 4.764 9.093 ( 3.657 -4.113 1.259) 5.646 9.267 ( -0.141 -6.445 -3.628) 7.397 9.427 ( -1.205 -5.541 2.652) 6.260 9.447 ( 0.221 -4.716 0.618) 4.761 9.549 ( -1.795 -8.534 7.404) 11.440 9.576 ( -2.509 -2.409 0.527) 3.518 9.640 ( -0.303 -3.828 -3.044) 4.900 9.739 ( -1.993 -8.465 -2.499) 9.048 ======================= Grid point 87 (33/72) ======================= q-point: ( 0.40 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 6.059 10.856 -2.915) 12.770 0.841 ( 1.310 8.408 -4.193) 9.486 1.064 ( 3.806 3.588 0.714) 5.279 1.162 ( -4.884 1.918 -2.489) 5.807 1.473 ( 3.522 3.536 -1.622) 5.247 1.519 ( 0.639 -0.175 -1.922) 2.033 1.596 ( -4.233 8.054 -0.674) 9.124 1.609 ( -4.146 8.525 -1.475) 9.594 1.799 ( -0.033 10.392 2.004) 10.584 1.827 ( -2.657 8.729 0.870) 9.166 1.922 ( 5.795 13.449 2.559) 14.866 2.000 ( 0.536 13.935 0.558) 13.956 2.135 ( 2.584 8.192 -1.034) 8.652 2.209 ( -2.460 11.802 -1.657) 12.169 2.292 ( 3.082 4.054 2.495) 5.671 2.370 ( -4.284 5.423 -0.557) 6.933 2.884 ( -0.012 15.540 0.078) 15.541 2.891 ( -1.128 15.562 -0.303) 15.606 3.087 ( 6.629 25.035 0.687) 25.907 3.136 ( 2.356 24.288 -1.340) 24.439 3.718 ( 0.374 13.823 1.397) 13.899 3.753 ( -2.561 14.002 -0.151) 14.235 4.580 ( -1.435 0.632 -0.110) 1.572 4.591 ( -2.141 0.956 -0.524) 2.403 5.315 ( 6.232 -2.619 3.093) 7.434 5.405 ( 0.627 -3.130 -0.530) 3.236 5.527 ( -5.018 -2.409 0.818) 5.626 5.545 ( -4.242 -3.067 0.362) 5.247 6.321 ( 0.750 19.560 -0.645) 19.585 6.323 ( 0.667 20.332 -0.655) 20.353 6.463 ( -1.312 22.638 0.924) 22.694 6.510 ( -5.987 19.392 -1.176) 20.329 6.659 ( 1.216 8.773 1.998) 9.080 6.697 ( -1.884 11.403 0.543) 11.570 6.764 ( 1.062 10.772 -0.587) 10.840 6.785 ( -0.681 12.950 -0.934) 13.001 6.969 ( 1.425 -2.113 1.629) 3.025 6.999 ( -0.989 -3.587 0.196) 3.726 7.263 ( 0.819 1.417 0.344) 1.672 7.294 ( -1.619 2.398 -0.873) 3.022 7.498 ( 1.959 0.711 0.185) 2.092 7.512 ( 0.942 0.651 0.079) 1.147 7.644 ( -0.652 3.349 0.037) 3.412 7.669 ( -2.750 0.673 0.032) 2.832 7.790 ( 3.636 -3.817 1.571) 5.501 7.854 ( -2.676 -1.957 -0.683) 3.385 8.219 ( 1.138 2.512 -4.331) 5.134 8.252 ( -1.323 -0.349 -6.538) 6.680 8.650 ( 6.895 -0.957 0.886) 7.017 8.719 ( 1.369 -3.879 -1.803) 4.491 8.852 ( -0.986 -0.613 5.299) 5.425 8.905 ( -5.154 -2.802 4.540) 7.418 9.185 ( 3.840 -4.574 -4.631) 7.557 9.248 ( -1.893 -5.988 -4.780) 7.892 9.411 ( 0.216 -8.847 3.209) 9.414 9.436 ( -1.544 -10.335 2.364) 10.713 9.519 ( 0.529 -3.490 2.803) 4.508 9.546 ( -1.293 -4.129 1.753) 4.668 9.643 ( 0.875 -3.938 -3.136) 5.109 9.683 ( -2.657 -5.646 -2.885) 6.875 ======================= Grid point 90 (34/72) ======================= q-point: ( 0.00 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( 0.000 9.392 3.230) 9.932 1.142 ( 0.000 13.975 -3.799) 14.482 1.231 ( 0.000 3.402 -2.877) 4.455 1.280 ( 0.000 8.973 -5.879) 10.727 1.475 ( 0.000 5.944 2.167) 6.326 1.479 ( 0.000 7.983 0.218) 7.986 1.827 ( 0.000 1.821 -0.843) 2.006 1.882 ( 0.000 2.201 -2.519) 3.345 2.027 ( 0.000 11.045 1.874) 11.203 2.041 ( 0.000 9.254 1.989) 9.465 2.053 ( 0.000 11.375 0.455) 11.385 2.137 ( 0.000 14.715 -1.952) 14.844 2.244 ( 0.000 8.947 2.069) 9.183 2.345 ( 0.000 10.921 -1.707) 11.053 2.515 ( 0.000 12.470 5.055) 13.455 2.728 ( 0.000 9.224 -4.286) 10.171 3.090 ( 0.000 8.022 1.149) 8.104 3.170 ( 0.000 7.503 -2.194) 7.817 3.379 ( 0.000 32.956 1.808) 33.005 3.472 ( 0.000 31.344 -2.273) 31.427 4.106 ( 0.000 23.332 2.214) 23.437 4.195 ( 0.000 21.807 -1.711) 21.874 4.623 ( 0.000 -3.847 0.363) 3.864 4.641 ( 0.000 -3.446 -0.340) 3.462 5.134 ( 0.000 -0.548 4.965) 4.995 5.313 ( 0.000 -1.886 -2.873) 3.437 5.570 ( 0.000 -5.604 2.077) 5.976 5.616 ( 0.000 -6.121 -0.010) 6.121 6.471 ( 0.000 -0.112 0.368) 0.385 6.492 ( 0.000 4.208 -0.570) 4.246 6.643 ( 0.000 1.337 1.846) 2.279 6.793 ( 0.000 3.399 -5.522) 6.485 6.865 ( 0.000 4.998 2.428) 5.556 6.927 ( 0.000 1.834 1.931) 2.664 6.957 ( 0.000 1.038 1.714) 2.003 6.977 ( 0.000 9.699 -1.762) 9.858 7.061 ( 0.000 14.391 1.484) 14.467 7.160 ( 0.000 17.067 -2.213) 17.210 7.357 ( 0.000 -1.147 0.453) 1.233 7.360 ( 0.000 -0.181 1.428) 1.440 7.402 ( 0.000 -2.269 -0.877) 2.433 7.465 ( 0.000 -0.829 -2.374) 2.515 7.630 ( 0.000 -3.441 0.077) 3.442 7.643 ( 0.000 -0.038 -0.881) 0.882 7.849 ( 0.000 5.408 2.785) 6.083 8.020 ( 0.000 3.915 9.743) 10.500 8.082 ( 0.000 -7.807 -6.128) 9.925 8.449 ( 0.000 4.597 1.432) 4.815 8.456 ( 0.000 1.159 -10.298) 10.363 8.549 ( 0.000 1.289 -3.671) 3.891 8.854 ( 0.000 -10.373 4.817) 11.437 8.941 ( 0.000 -3.139 -0.539) 3.185 8.949 ( 0.000 -2.707 3.095) 4.111 9.123 ( 0.000 -7.964 -3.365) 8.646 9.351 ( 0.000 -4.435 1.151) 4.581 9.386 ( 0.000 -3.109 -0.990) 3.263 9.476 ( 0.000 -1.023 2.157) 2.388 9.561 ( 0.000 -6.613 -1.856) 6.869 9.607 ( 0.000 0.619 0.069) 0.623 9.622 ( 0.000 -0.296 -0.861) 0.911 ======================= Grid point 91 (35/72) ======================= q-point: ( 0.20 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( 2.019 9.663 1.404) 9.971 1.082 ( -3.842 15.661 -3.347) 16.469 1.165 ( -3.688 7.672 -1.494) 8.643 1.269 ( -1.604 3.505 -4.710) 6.086 1.495 ( 2.467 6.683 0.557) 7.146 1.523 ( 1.932 5.314 -0.933) 5.731 1.801 ( -2.432 2.941 -0.756) 3.890 1.824 ( -5.036 2.767 -0.876) 5.812 2.046 ( 1.547 11.147 1.609) 11.368 2.052 ( 1.095 12.733 1.574) 12.877 2.100 ( 4.107 12.746 0.418) 13.398 2.199 ( 4.315 12.223 -3.514) 13.431 2.237 ( -0.342 8.964 2.996) 9.458 2.348 ( 0.670 9.098 -1.244) 9.207 2.493 ( -1.932 11.556 4.007) 12.383 2.658 ( -5.854 9.123 -2.977) 11.241 3.105 ( 1.178 8.417 0.555) 8.517 3.155 ( -1.051 8.321 -1.560) 8.531 3.459 ( 6.336 30.838 1.253) 31.507 3.534 ( 4.614 28.497 -2.014) 28.938 4.095 ( -0.887 22.941 1.993) 23.045 4.172 ( -2.000 21.916 -1.346) 22.048 4.607 ( -1.231 -2.212 0.470) 2.575 4.628 ( -1.114 -2.075 -0.394) 2.388 5.171 ( 3.353 -0.824 4.356) 5.558 5.325 ( 1.072 -1.957 -2.297) 3.202 5.544 ( -2.233 -4.666 1.578) 5.408 5.572 ( -3.759 -4.932 0.343) 6.211 6.455 ( -0.549 -0.940 0.768) 1.332 6.502 ( 0.758 2.876 -1.056) 3.156 6.698 ( 3.305 1.173 0.955) 3.635 6.768 ( -1.568 5.250 -2.362) 5.967 6.838 ( -4.213 3.439 1.460) 5.630 6.899 ( 0.620 6.053 0.413) 6.099 6.939 ( -1.020 3.335 0.651) 3.548 7.015 ( 1.389 7.616 -1.205) 7.835 7.056 ( 0.285 14.765 1.957) 14.897 7.143 ( -1.566 15.558 -1.825) 15.743 7.295 ( -1.942 0.894 1.667) 2.711 7.376 ( -1.875 -0.171 -1.757) 2.575 7.428 ( 2.256 -2.475 0.358) 3.368 7.469 ( 0.371 -2.220 -1.782) 2.871 7.607 ( -1.721 -4.079 0.227) 4.433 7.621 ( -1.647 -5.084 0.164) 5.346 7.869 ( 1.671 7.289 2.810) 7.989 7.989 ( -1.608 5.589 5.754) 8.181 8.148 ( 4.057 -6.159 -5.248) 9.052 8.356 ( -4.129 6.251 -6.872) 10.166 8.548 ( 4.295 1.821 -1.544) 4.914 8.585 ( 2.954 -1.366 -2.170) 3.912 8.852 ( -0.233 -8.657 4.815) 9.909 8.903 ( -1.908 0.712 2.668) 3.356 8.991 ( 2.236 -8.401 0.690) 8.721 9.130 ( 0.434 -5.780 -3.699) 6.876 9.303 ( -3.872 -7.702 2.828) 9.072 9.360 ( -2.285 -2.139 -0.766) 3.222 9.468 ( -0.424 -0.713 1.698) 1.890 9.523 ( -1.990 -3.373 -0.263) 3.925 9.603 ( -0.588 0.238 -1.482) 1.612 9.628 ( -0.276 -2.139 -1.800) 2.809 ======================= Grid point 92 (36/72) ======================= q-point: ( 0.40 0.21 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 0.161 13.126 -3.324) 13.541 1.047 ( -0.396 11.509 -3.688) 12.092 1.142 ( 2.159 4.866 0.948) 5.407 1.213 ( -3.371 3.341 -1.937) 5.126 1.551 ( 2.048 4.301 -1.006) 4.869 1.558 ( 1.348 5.108 -0.915) 5.362 1.713 ( -3.292 6.194 -0.011) 7.014 1.730 ( -3.641 5.676 -1.021) 6.820 2.067 ( 0.735 12.931 0.860) 12.980 2.076 ( 0.302 14.669 0.316) 14.676 2.191 ( 2.939 11.982 0.778) 12.361 2.234 ( -0.865 11.948 1.680) 12.097 2.299 ( 6.160 7.941 -0.892) 10.090 2.398 ( 3.872 7.052 -0.261) 8.049 2.431 ( -4.257 9.828 0.745) 10.737 2.509 ( -6.775 8.265 -0.829) 10.719 3.128 ( 0.698 9.465 -0.222) 9.493 3.138 ( -0.464 9.705 -0.627) 9.736 3.592 ( 4.463 26.224 0.163) 26.602 3.617 ( 2.007 24.778 -0.936) 24.877 4.083 ( 0.354 23.015 1.235) 23.051 4.119 ( -2.534 22.755 -0.309) 22.897 4.587 ( -0.252 0.079 0.294) 0.396 4.600 ( -1.247 -0.023 -0.258) 1.273 5.269 ( 5.201 -1.937 2.853) 6.240 5.345 ( -0.373 -2.868 -0.181) 2.898 5.479 ( -2.907 -2.280 0.555) 3.736 5.489 ( -2.746 -2.530 0.509) 3.768 6.469 ( 1.850 -1.972 0.570) 2.763 6.508 ( -0.772 -0.557 -0.978) 1.365 6.703 ( -1.458 4.180 -0.538) 4.460 6.713 ( -2.573 5.399 -0.693) 6.021 6.833 ( 2.716 6.797 1.879) 7.557 6.884 ( -1.848 6.610 2.456) 7.290 6.950 ( 2.191 5.819 -1.700) 6.446 7.008 ( -2.145 6.848 -1.599) 7.352 7.087 ( 1.871 14.310 1.484) 14.508 7.114 ( -0.771 15.923 0.157) 15.942 7.279 ( 0.514 0.388 0.072) 0.648 7.319 ( -2.839 -0.020 -1.572) 3.245 7.464 ( 1.097 -3.728 0.029) 3.886 7.476 ( 0.047 -4.125 -0.553) 4.162 7.578 ( -0.559 -6.827 0.519) 6.869 7.587 ( -1.212 -7.562 0.306) 7.665 7.911 ( 2.079 10.249 3.066) 10.898 7.954 ( -1.783 9.300 3.775) 10.194 8.223 ( 2.804 -2.239 -7.385) 8.211 8.281 ( -2.846 4.101 -7.912) 9.355 8.633 ( 2.935 -1.173 0.128) 3.164 8.646 ( 1.779 -3.307 -0.071) 3.755 8.846 ( -0.091 -3.314 4.815) 5.846 8.863 ( -1.617 1.228 4.315) 4.769 9.046 ( 2.938 -10.743 0.396) 11.144 9.114 ( -2.613 -6.570 -1.623) 7.255 9.248 ( 0.286 -6.745 1.600) 6.938 9.297 ( -3.200 -2.238 -0.630) 3.956 9.469 ( 0.504 -1.261 1.044) 1.712 9.488 ( -1.252 -2.180 0.447) 2.553 9.593 ( -0.005 -0.816 -2.033) 2.191 9.608 ( -1.179 -1.783 -2.382) 3.201 ======================= Grid point 95 (37/72) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 0.000 8.306 0.903) 8.354 1.296 ( 0.000 5.086 -4.929) 7.083 1.352 ( 0.000 7.185 -0.746) 7.224 1.405 ( 0.000 5.066 -3.154) 5.968 1.640 ( 0.000 9.432 -0.986) 9.484 1.676 ( 0.000 10.718 -3.208) 11.188 1.863 ( 0.000 2.514 -0.003) 2.514 1.893 ( 0.000 1.194 -1.061) 1.597 2.207 ( 0.000 7.784 1.346) 7.899 2.246 ( 0.000 9.567 2.472) 9.881 2.260 ( 0.000 7.598 -1.110) 7.679 2.295 ( 0.000 7.177 0.191) 7.180 2.469 ( 0.000 10.346 1.793) 10.500 2.542 ( 0.000 8.535 -1.344) 8.640 2.689 ( 0.000 4.364 3.868) 5.831 2.829 ( 0.000 0.363 -2.262) 2.291 3.225 ( 0.000 6.883 0.812) 6.931 3.294 ( 0.000 6.373 -1.991) 6.676 3.998 ( 0.000 26.636 0.064) 26.636 4.013 ( 0.000 19.736 -0.614) 19.745 4.562 ( 0.000 19.340 0.734) 19.354 4.577 ( 0.000 0.467 0.114) 0.481 4.583 ( 0.000 6.643 0.743) 6.684 4.621 ( 0.000 20.207 -0.966) 20.230 5.149 ( 0.000 2.199 4.168) 4.712 5.294 ( 0.000 0.050 -2.245) 2.246 5.470 ( 0.000 -4.360 2.041) 4.814 5.504 ( 0.000 -5.172 0.296) 5.181 6.419 ( 0.000 -3.795 1.272) 4.002 6.503 ( 0.000 -1.758 -2.783) 3.292 6.634 ( 0.000 -1.779 2.695) 3.229 6.777 ( 0.000 -2.828 -3.951) 4.859 6.901 ( 0.000 1.059 0.532) 1.185 6.971 ( 0.000 0.879 -1.527) 1.762 7.004 ( 0.000 3.844 4.829) 6.172 7.164 ( 0.000 7.669 -2.910) 8.203 7.280 ( 0.000 -1.485 1.128) 1.865 7.299 ( 0.000 -3.642 0.047) 3.643 7.317 ( 0.000 -0.025 1.181) 1.182 7.381 ( 0.000 4.086 0.414) 4.107 7.390 ( 0.000 -2.530 -2.393) 3.482 7.433 ( 0.000 5.826 -0.984) 5.909 7.579 ( 0.000 -1.579 1.786) 2.383 7.655 ( 0.000 1.556 -1.653) 2.270 7.868 ( 0.000 1.404 1.091) 1.778 7.971 ( 0.000 -3.078 -2.838) 4.187 8.160 ( 0.000 6.299 6.334) 8.933 8.419 ( 0.000 -3.984 -5.309) 6.638 8.536 ( 0.000 3.226 1.067) 3.398 8.587 ( 0.000 0.323 -1.236) 1.278 8.666 ( 0.000 -8.229 4.097) 9.192 8.819 ( 0.000 -9.022 -2.421) 9.342 8.911 ( 0.000 0.175 2.782) 2.788 9.018 ( 0.000 -2.580 -1.964) 3.243 9.267 ( 0.000 -4.092 0.702) 4.152 9.322 ( 0.000 -3.332 -1.496) 3.653 9.506 ( 0.000 1.206 0.228) 1.228 9.513 ( 0.000 4.197 0.038) 4.197 9.629 ( 0.000 1.166 -0.071) 1.168 9.651 ( 0.000 2.295 -0.864) 2.452 ======================= Grid point 96 (38/72) ======================= q-point: ( 0.20 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 1.712 7.711 0.375) 7.908 1.280 ( -1.335 6.723 -3.943) 7.907 1.327 ( -2.074 7.732 -1.257) 8.103 1.363 ( -3.319 6.034 -2.989) 7.507 1.641 ( 0.180 7.781 -1.097) 7.860 1.675 ( -0.066 8.826 -2.577) 9.195 1.859 ( -0.449 3.716 -0.193) 3.748 1.880 ( -1.150 3.596 -0.525) 3.812 2.239 ( 2.039 7.788 1.380) 8.168 2.272 ( 2.372 9.884 1.047) 10.218 2.311 ( 4.491 7.245 -0.562) 8.543 2.321 ( 2.030 6.343 0.098) 6.661 2.459 ( -0.609 9.420 1.518) 9.561 2.527 ( -1.063 8.058 -1.230) 8.220 2.660 ( -2.684 4.967 3.332) 6.556 2.779 ( -4.402 2.624 -1.819) 5.438 3.235 ( 0.955 5.953 0.518) 6.051 3.285 ( -0.540 5.977 -1.507) 6.188 4.017 ( 1.201 22.163 -0.282) 22.197 4.021 ( 0.630 18.118 -0.404) 18.133 4.538 ( -0.692 17.948 1.144) 17.997 4.580 ( 0.259 10.664 -0.448) 10.677 4.613 ( 1.147 6.946 0.312) 7.047 4.620 ( -0.173 15.016 -0.179) 15.018 5.177 ( 2.460 1.537 3.757) 4.746 5.302 ( 0.593 -0.283 -1.685) 1.809 5.463 ( -0.654 -3.422 1.519) 3.800 5.485 ( -1.518 -3.706 0.500) 4.036 6.397 ( -1.369 -3.742 1.440) 4.237 6.485 ( -1.757 -2.893 -2.501) 4.208 6.660 ( 1.757 -4.157 1.973) 4.925 6.764 ( -1.241 -3.050 -2.958) 4.426 6.894 ( -0.097 2.719 0.608) 2.788 6.989 ( 1.484 2.129 -2.877) 3.874 7.004 ( 0.204 4.179 5.128) 6.619 7.171 ( -0.282 6.650 -2.920) 7.268 7.253 ( -1.475 -1.962 1.339) 2.796 7.287 ( -0.189 2.973 1.321) 3.258 7.336 ( 0.443 -3.756 -0.136) 3.785 7.362 ( -0.857 0.233 0.694) 1.127 7.388 ( -0.573 -3.674 -1.863) 4.159 7.431 ( 0.079 7.624 -1.561) 7.783 7.532 ( -3.721 -1.475 1.762) 4.373 7.599 ( -3.844 2.982 -1.166) 5.003 7.903 ( 2.860 0.522 1.689) 3.362 8.043 ( 4.405 -4.362 -3.452) 7.096 8.162 ( 0.709 7.775 4.955) 9.247 8.410 ( -1.104 -1.204 -5.667) 5.898 8.560 ( 1.712 0.433 0.873) 1.970 8.595 ( 0.543 -0.068 -0.731) 0.913 8.690 ( 2.489 -7.315 3.886) 8.648 8.792 ( -0.797 -10.146 -0.601) 10.195 8.932 ( -0.285 1.550 1.639) 2.274 9.052 ( 3.312 -2.567 -3.056) 5.186 9.185 ( -5.614 -4.018 3.518) 7.749 9.323 ( -0.977 -2.664 -2.273) 3.636 9.498 ( -0.574 1.875 0.430) 2.008 9.504 ( -0.652 4.173 0.192) 4.228 9.628 ( -0.348 1.189 -0.741) 1.444 9.636 ( -1.164 2.436 -0.902) 2.847 ======================= Grid point 97 (39/72) ======================= q-point: ( 0.40 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( 2.470 7.028 -1.153) 7.539 1.254 ( -0.737 9.577 -2.798) 10.004 1.279 ( -1.756 8.850 -1.915) 9.224 1.292 ( -2.768 4.910 -2.212) 6.055 1.651 ( 0.782 5.357 -0.810) 5.474 1.669 ( -0.626 5.549 -1.039) 5.680 1.845 ( -0.345 7.186 -0.716) 7.229 1.855 ( -1.013 7.253 -0.704) 7.358 2.279 ( 1.811 8.660 1.594) 8.990 2.311 ( -0.415 9.013 0.692) 9.049 2.370 ( 3.116 7.818 -0.296) 8.421 2.412 ( 1.809 4.454 -2.494) 5.416 2.471 ( 2.845 9.103 1.768) 9.700 2.527 ( 1.850 6.301 1.270) 6.689 2.581 ( -3.592 5.450 0.998) 6.603 2.655 ( -6.424 6.074 -0.979) 8.895 3.261 ( 1.175 4.963 -0.034) 5.100 3.277 ( -0.311 5.261 -0.659) 5.312 4.030 ( 0.374 14.925 -0.393) 14.935 4.035 ( 0.109 16.316 -0.575) 16.326 4.546 ( 1.305 22.223 0.877) 22.278 4.577 ( -0.969 23.034 -0.451) 23.059 4.616 ( 0.266 5.343 0.541) 5.377 4.624 ( -0.148 6.012 0.216) 6.018 5.245 ( 3.400 -0.378 2.571) 4.279 5.301 ( -1.266 -1.486 0.355) 1.984 5.446 ( -0.483 -0.998 0.439) 1.192 5.455 ( -1.049 -0.886 0.462) 1.449 6.387 ( 0.856 -4.799 0.897) 4.956 6.431 ( -2.766 -5.027 -0.851) 5.801 6.692 ( 1.302 -4.485 -0.075) 4.671 6.726 ( -1.887 -3.142 -1.552) 3.980 6.924 ( 2.731 3.824 0.947) 4.793 6.983 ( -1.969 3.963 1.676) 4.732 7.045 ( 3.062 3.970 -0.493) 5.038 7.121 ( -3.619 4.611 -0.819) 5.919 7.256 ( 1.435 -0.691 -0.294) 1.619 7.288 ( -0.495 -1.231 -1.012) 1.669 7.330 ( 0.359 2.420 1.784) 3.028 7.353 ( -0.738 -4.038 0.002) 4.105 7.383 ( 0.805 -2.618 -0.020) 2.739 7.428 ( -2.293 8.496 1.194) 8.880 7.467 ( 0.504 -1.757 -1.240) 2.209 7.520 ( -3.243 3.753 -1.440) 5.165 7.978 ( 3.809 -0.812 2.678) 4.726 8.054 ( -2.729 -2.095 2.391) 4.189 8.246 ( 5.913 5.355 -4.122) 8.979 8.358 ( -3.859 2.619 -6.178) 7.741 8.592 ( 1.089 -2.566 0.900) 2.929 8.603 ( 0.066 -2.038 0.489) 2.097 8.761 ( 3.155 -5.852 1.140) 6.746 8.800 ( 0.338 -9.102 -0.911) 9.154 8.917 ( 1.060 -0.138 4.996) 5.109 9.015 ( -6.288 -2.352 4.442) 8.050 9.181 ( 4.646 -1.855 -2.152) 5.446 9.274 ( -3.462 -1.717 -3.088) 4.947 9.489 ( -0.138 3.009 0.646) 3.080 9.492 ( -0.381 3.871 0.535) 3.926 9.612 ( -0.686 2.100 -1.036) 2.440 9.614 ( -0.744 2.093 -1.060) 2.461 ======================= Grid point 100 (40/72) ======================= q-point: ( 0.00 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 0.000 8.217 -1.122) 8.293 1.401 ( 0.000 5.668 -4.608) 7.305 1.478 ( 0.000 5.892 -0.613) 5.924 1.503 ( 0.000 5.001 -2.089) 5.419 1.797 ( 0.000 6.611 -1.869) 6.870 1.835 ( 0.000 5.549 -4.548) 7.174 1.933 ( 0.000 4.671 0.585) 4.708 1.955 ( 0.000 4.763 0.126) 4.765 2.299 ( 0.000 1.662 0.281) 1.686 2.302 ( 0.000 -0.644 0.306) 0.713 2.412 ( 0.000 7.557 2.573) 7.984 2.474 ( 0.000 8.291 -0.871) 8.336 2.593 ( 0.000 0.829 0.288) 0.878 2.650 ( 0.000 1.243 -2.142) 2.477 2.687 ( 0.000 -1.864 3.370) 3.852 2.755 ( 0.000 -5.653 -0.090) 5.653 3.378 ( 0.000 8.897 0.814) 8.934 3.430 ( 0.000 7.587 -1.269) 7.692 4.101 ( 0.000 -5.858 1.598) 6.072 4.168 ( 0.000 -6.114 -1.275) 6.245 4.809 ( 0.000 19.889 0.542) 19.896 4.832 ( 0.000 17.348 -0.343) 17.352 4.946 ( 0.000 14.923 0.756) 14.942 4.966 ( 0.000 13.710 -0.063) 13.710 5.227 ( 0.000 6.465 2.818) 7.053 5.322 ( 0.000 3.159 -1.803) 3.638 5.419 ( 0.000 -0.315 2.169) 2.192 5.435 ( 0.000 -1.197 0.728) 1.401 6.354 ( 0.000 -2.516 1.499) 2.929 6.458 ( 0.000 -2.440 -3.795) 4.512 6.593 ( 0.000 -1.964 3.117) 3.684 6.718 ( 0.000 -2.986 -3.066) 4.280 6.927 ( 0.000 1.492 0.374) 1.539 6.984 ( 0.000 0.266 -0.728) 0.776 7.047 ( 0.000 0.403 5.073) 5.089 7.157 ( 0.000 -6.321 -1.950) 6.615 7.217 ( 0.000 -3.457 -1.334) 3.706 7.227 ( 0.000 -2.163 -0.349) 2.191 7.295 ( 0.000 -4.898 -0.646) 4.940 7.305 ( 0.000 0.466 -1.520) 1.590 7.512 ( 0.000 4.543 0.002) 4.543 7.519 ( 0.000 2.032 0.207) 2.043 7.583 ( 0.000 2.712 3.514) 4.438 7.697 ( 0.000 2.366 -1.882) 3.023 7.947 ( 0.000 6.074 0.024) 6.074 7.963 ( 0.000 2.032 -0.445) 2.080 8.231 ( 0.000 1.244 2.586) 2.869 8.327 ( 0.000 -5.128 -1.437) 5.326 8.530 ( 0.000 -3.990 1.627) 4.309 8.553 ( 0.000 -1.157 0.610) 1.308 8.563 ( 0.000 -3.626 0.663) 3.686 8.643 ( 0.000 -8.335 -2.445) 8.686 8.957 ( 0.000 3.568 0.384) 3.588 9.004 ( 0.000 0.733 -1.603) 1.763 9.208 ( 0.000 -1.807 1.060) 2.095 9.265 ( 0.000 -2.441 -1.231) 2.734 9.565 ( 0.000 3.517 0.804) 3.607 9.605 ( 0.000 3.937 -0.897) 4.038 9.644 ( 0.000 0.811 0.948) 1.247 9.688 ( 0.000 1.353 -0.879) 1.614 ======================= Grid point 101 (41/72) ======================= q-point: ( 0.20 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.829 7.731 -1.266) 7.878 1.399 ( -0.217 5.763 -4.258) 7.168 1.459 ( -1.570 6.219 -0.789) 6.462 1.482 ( -1.804 5.765 -2.128) 6.404 1.769 ( -1.723 5.488 -0.835) 5.812 1.816 ( -2.111 5.893 -2.787) 6.852 1.941 ( 1.411 4.353 -0.163) 4.579 1.976 ( 1.069 5.718 -1.077) 5.916 2.322 ( 2.031 0.823 0.376) 2.224 2.339 ( 2.899 -0.806 0.194) 3.015 2.440 ( 2.250 7.079 1.466) 7.571 2.482 ( -0.087 6.065 -1.560) 6.263 2.579 ( -0.053 2.623 1.206) 2.887 2.606 ( -2.384 -1.179 0.050) 2.660 2.699 ( -0.267 1.154 1.996) 2.321 2.762 ( -0.054 -3.027 -0.550) 3.077 3.365 ( -0.882 7.912 0.711) 7.993 3.408 ( -1.709 7.044 -1.013) 7.319 4.105 ( 0.244 -5.261 1.117) 5.384 4.153 ( -1.206 -5.771 -0.979) 5.976 4.815 ( 0.478 17.821 0.483) 17.834 4.833 ( 0.057 16.074 -0.174) 16.075 4.950 ( 0.308 15.547 0.573) 15.561 4.967 ( 0.033 14.353 -0.166) 14.354 5.239 ( 1.061 5.419 2.720) 6.155 5.321 ( -0.354 2.676 -0.942) 2.859 5.424 ( 0.784 -0.141 1.576) 1.766 5.449 ( 0.863 0.508 0.608) 1.171 6.337 ( -1.395 -2.066 1.377) 2.848 6.432 ( -2.539 -2.141 -3.338) 4.709 6.569 ( -1.215 -4.558 2.998) 5.589 6.692 ( -2.258 -4.077 -3.029) 5.558 6.942 ( 1.409 2.136 0.455) 2.599 7.014 ( 2.550 0.634 -1.355) 2.956 7.058 ( 0.740 1.182 5.076) 5.264 7.162 ( 0.336 -5.382 -1.464) 5.588 7.209 ( -0.300 -3.482 -1.110) 3.667 7.240 ( 0.673 -3.579 -0.587) 3.689 7.282 ( -1.317 -1.346 -1.125) 2.194 7.292 ( -1.219 -1.966 -0.882) 2.476 7.463 ( -2.812 2.804 0.555) 4.009 7.488 ( -2.298 3.297 0.289) 4.030 7.596 ( 0.753 3.738 2.462) 4.539 7.693 ( -0.792 4.927 -1.608) 5.243 7.948 ( 0.265 4.495 0.515) 4.532 7.992 ( 1.676 -0.437 -0.878) 1.942 8.253 ( 2.100 1.810 2.272) 3.585 8.352 ( 1.775 -4.052 -1.686) 4.734 8.523 ( -0.117 -3.145 0.947) 3.286 8.564 ( -0.016 -2.859 0.488) 2.901 8.596 ( 2.987 -3.098 0.504) 4.333 8.619 ( -0.861 -7.436 -1.008) 7.553 8.967 ( -1.061 2.184 -0.141) 2.433 9.035 ( 3.744 0.516 -2.522) 4.543 9.142 ( -4.688 -0.680 3.237) 5.738 9.264 ( -0.812 -2.905 -2.019) 3.630 9.567 ( 0.242 3.969 0.777) 4.052 9.601 ( -0.427 4.675 -0.443) 4.716 9.646 ( 0.156 0.600 0.403) 0.740 9.681 ( -0.684 1.727 -0.777) 2.013 ======================= Grid point 102 (42/72) ======================= q-point: ( 0.40 0.36 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 1.767 6.603 -1.705) 7.045 1.389 ( -1.141 5.379 -3.033) 6.280 1.425 ( -0.731 7.575 -1.598) 7.776 1.440 ( -1.657 7.180 -2.165) 7.680 1.744 ( -0.208 4.617 -0.069) 4.622 1.765 ( -2.003 4.796 -0.656) 5.239 1.976 ( 1.288 5.668 -1.350) 5.967 1.989 ( 0.056 6.042 -1.556) 6.240 2.375 ( 2.725 1.160 0.579) 3.017 2.410 ( 2.945 -0.307 0.314) 2.978 2.442 ( -2.427 0.579 -1.062) 2.711 2.469 ( -1.031 1.180 -1.516) 2.181 2.589 ( 2.216 3.579 2.681) 4.991 2.638 ( 4.192 3.581 -0.277) 5.520 2.661 ( -2.969 4.344 2.427) 5.794 2.728 ( -3.195 1.685 -0.722) 3.684 3.355 ( 0.138 5.765 0.302) 5.775 3.372 ( -1.360 5.557 -0.393) 5.735 4.111 ( 0.378 -4.502 0.289) 4.527 4.126 ( -1.087 -4.887 -0.364) 5.019 4.826 ( 0.458 14.953 0.337) 14.964 4.832 ( -0.124 14.480 0.113) 14.481 4.958 ( 0.401 15.986 0.165) 15.992 4.965 ( -0.220 15.401 -0.147) 15.403 5.269 ( 1.558 3.476 2.137) 4.367 5.302 ( -1.346 2.177 0.886) 2.708 5.448 ( 1.124 1.541 0.600) 2.000 5.461 ( 0.063 1.760 0.379) 1.802 6.316 ( 0.162 -2.163 0.724) 2.287 6.358 ( -3.420 -2.103 -1.031) 4.145 6.575 ( 1.771 -6.637 0.591) 6.895 6.631 ( -3.027 -5.892 -1.935) 6.901 6.988 ( 2.746 2.693 0.901) 3.950 7.043 ( -1.579 2.290 1.311) 3.075 7.090 ( 3.263 0.490 0.756) 3.385 7.153 ( -1.767 -1.907 0.479) 2.644 7.216 ( 1.037 -3.676 -1.798) 4.221 7.244 ( -1.221 -2.013 -2.505) 3.438 7.252 ( 0.034 -2.971 -0.163) 2.976 7.264 ( -1.035 -3.623 -0.563) 3.810 7.424 ( -0.339 3.238 1.487) 3.579 7.445 ( -1.727 2.397 1.558) 3.340 7.618 ( 1.541 6.037 -0.030) 6.230 7.660 ( -2.010 6.711 -1.390) 7.141 7.964 ( 1.280 1.032 1.355) 2.130 7.997 ( -1.205 -1.620 0.576) 2.099 8.320 ( 3.459 1.349 -0.573) 3.757 8.370 ( -0.735 -1.248 -2.093) 2.545 8.534 ( 1.109 -2.961 0.648) 3.228 8.556 ( -0.654 -2.704 0.332) 2.802 8.630 ( 1.705 -6.619 -0.356) 6.844 8.651 ( 0.852 -5.830 -0.844) 5.952 8.948 ( 0.534 2.737 2.654) 3.850 9.014 ( -4.845 1.538 3.815) 6.355 9.145 ( 4.155 -1.808 -2.633) 5.241 9.224 ( -2.855 -2.923 -3.031) 5.087 9.577 ( 0.551 4.687 0.704) 4.771 9.589 ( -0.578 5.015 0.381) 5.062 9.650 ( 0.305 1.529 -0.260) 1.580 9.663 ( -0.832 2.175 -0.544) 2.391 ======================= Grid point 105 (43/72) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.000 6.317 -2.584) 6.825 1.502 ( 0.000 4.257 -4.251) 6.016 1.569 ( 0.000 3.145 -1.235) 3.379 1.582 ( 0.000 2.698 -2.132) 3.439 1.902 ( 0.000 4.273 -0.687) 4.328 1.920 ( 0.000 3.565 -1.987) 4.082 2.033 ( 0.000 5.136 0.351) 5.148 2.039 ( 0.000 3.456 0.038) 3.456 2.269 ( 0.000 -1.716 0.205) 1.729 2.295 ( 0.000 -0.903 -0.979) 1.332 2.482 ( 0.000 -8.340 -0.317) 8.346 2.501 ( 0.000 -5.536 0.670) 5.577 2.551 ( 0.000 -0.203 -1.256) 1.272 2.585 ( 0.000 2.904 -1.728) 3.380 2.702 ( 0.000 1.494 2.949) 3.305 2.730 ( 0.000 0.260 1.141) 1.170 3.560 ( 0.000 9.701 0.410) 9.710 3.584 ( 0.000 8.443 -0.530) 8.460 3.944 ( 0.000 -9.089 1.440) 9.203 3.983 ( 0.000 -10.914 -0.227) 10.916 5.065 ( 0.000 6.201 0.338) 6.210 5.082 ( 0.000 6.462 -0.742) 6.504 5.119 ( 0.000 4.193 1.313) 4.394 5.130 ( 0.000 4.034 1.118) 4.186 5.393 ( 0.000 8.672 1.251) 8.761 5.419 ( 0.000 6.212 -0.028) 6.213 5.474 ( 0.000 4.856 1.041) 4.966 5.475 ( 0.000 4.413 0.647) 4.461 6.331 ( 0.000 0.173 1.196) 1.208 6.409 ( 0.000 -2.742 -2.343) 3.607 6.577 ( 0.000 0.590 1.241) 1.374 6.663 ( 0.000 -2.787 -2.704) 3.883 6.951 ( 0.000 0.758 1.487) 1.669 6.976 ( 0.000 -0.991 2.552) 2.738 7.030 ( 0.000 -1.180 2.443) 2.713 7.068 ( 0.000 -2.948 -3.057) 4.247 7.164 ( 0.000 -2.735 0.079) 2.736 7.172 ( 0.000 -2.144 -2.170) 3.051 7.243 ( 0.000 0.207 0.622) 0.655 7.305 ( 0.000 -0.939 -2.193) 2.385 7.535 ( 0.000 0.177 0.567) 0.594 7.542 ( 0.000 0.083 0.350) 0.359 7.662 ( 0.000 3.806 1.761) 4.194 7.728 ( 0.000 0.560 -1.053) 1.193 8.038 ( 0.000 5.255 0.931) 5.337 8.070 ( 0.000 5.985 -0.478) 6.004 8.217 ( 0.000 -2.500 0.999) 2.692 8.237 ( 0.000 -3.984 0.166) 3.987 8.477 ( 0.000 -1.755 -0.275) 1.777 8.505 ( 0.000 -1.985 0.692) 2.102 8.511 ( 0.000 -3.449 -0.852) 3.552 8.519 ( 0.000 -3.301 -0.627) 3.360 9.021 ( 0.000 2.683 -0.463) 2.723 9.032 ( 0.000 1.704 -1.054) 2.004 9.196 ( 0.000 0.371 0.666) 0.762 9.231 ( 0.000 -1.194 -0.805) 1.440 9.609 ( 0.000 0.915 0.544) 1.065 9.620 ( 0.000 -0.580 0.205) 0.615 9.686 ( 0.000 1.898 0.170) 1.906 9.703 ( 0.000 0.275 -0.390) 0.477 ======================= Grid point 106 (44/72) ======================= q-point: ( 0.20 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.083 5.903 -2.508) 6.414 1.498 ( -0.343 4.171 -4.021) 5.803 1.552 ( -1.343 2.996 -1.167) 3.485 1.568 ( -1.212 2.766 -2.096) 3.676 1.871 ( -1.617 5.291 0.433) 5.550 1.924 ( -1.512 5.171 -2.262) 5.844 2.009 ( 0.533 2.282 1.032) 2.560 2.068 ( 0.703 3.083 -1.575) 3.532 2.286 ( 1.694 -2.227 0.255) 2.809 2.319 ( 1.986 -0.951 -0.952) 2.399 2.459 ( -1.767 -6.300 -0.618) 6.572 2.483 ( -2.028 -7.139 -1.274) 7.530 2.568 ( 2.684 3.685 1.715) 4.871 2.625 ( 2.338 1.736 -1.313) 3.195 2.715 ( 0.926 0.241 1.862) 2.094 2.732 ( 0.151 -0.320 1.207) 1.258 3.541 ( -1.552 10.040 0.492) 10.171 3.562 ( -1.879 8.935 -0.300) 9.136 3.948 ( 0.325 -9.591 0.977) 9.646 3.973 ( -0.745 -10.950 -0.070) 10.975 5.057 ( -0.521 6.595 0.365) 6.625 5.066 ( -0.944 7.039 -0.057) 7.102 5.128 ( 0.605 3.468 0.735) 3.596 5.139 ( 0.460 3.880 0.499) 3.939 5.387 ( -0.098 8.503 1.479) 8.631 5.421 ( -0.709 6.926 -0.177) 6.965 5.472 ( 1.363 4.149 1.580) 4.644 5.502 ( 1.116 3.702 0.260) 3.876 6.322 ( -0.882 0.450 1.120) 1.495 6.395 ( -0.895 -2.151 -2.220) 3.218 6.513 ( -4.693 -0.542 1.574) 4.980 6.613 ( -4.018 -3.989 -2.956) 6.387 6.972 ( 1.855 0.935 1.317) 2.460 7.010 ( 2.593 -1.166 2.189) 3.588 7.055 ( 1.711 -0.793 2.794) 3.371 7.082 ( 1.091 -2.537 -2.708) 3.868 7.164 ( -0.179 -1.452 -1.349) 1.990 7.173 ( 0.357 -2.405 -0.863) 2.580 7.234 ( -0.726 -0.670 0.359) 1.051 7.289 ( -1.640 -1.208 -2.172) 2.978 7.501 ( -1.256 2.256 1.428) 2.951 7.556 ( -0.171 1.807 -1.438) 2.315 7.642 ( -0.829 2.105 3.120) 3.854 7.738 ( -0.037 -0.472 -1.430) 1.507 8.038 ( -0.071 5.209 0.836) 5.276 8.064 ( -0.570 6.368 -0.262) 6.399 8.240 ( 2.065 -2.888 1.111) 3.720 8.269 ( 2.375 -4.390 0.011) 4.991 8.480 ( 0.474 -1.310 -0.376) 1.443 8.507 ( -0.053 -3.083 -0.876) 3.206 8.517 ( 0.702 -2.379 0.697) 2.577 8.539 ( 1.710 -2.673 -0.255) 3.183 9.016 ( -0.707 2.583 -0.577) 2.740 9.053 ( 1.997 0.885 -1.898) 2.894 9.151 ( -3.480 1.360 1.722) 4.114 9.218 ( -1.419 -1.901 -1.221) 2.668 9.619 ( 0.830 1.237 0.533) 1.583 9.633 ( 1.077 -0.345 0.062) 1.133 9.679 ( -0.579 1.980 0.355) 2.093 9.700 ( -0.335 0.358 -0.355) 0.605 ======================= Grid point 107 (45/72) ======================= q-point: ( 0.40 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 0.694 4.987 -2.397) 5.576 1.486 ( -0.881 4.323 -3.029) 5.351 1.528 ( -0.383 2.736 -1.701) 3.245 1.539 ( -1.192 2.758 -2.146) 3.692 1.849 ( -0.034 6.446 0.735) 6.488 1.874 ( -2.172 6.646 -0.091) 6.992 2.040 ( 1.601 0.369 -1.384) 2.148 2.066 ( -0.741 1.175 -2.174) 2.580 2.338 ( 2.824 -3.078 0.011) 4.177 2.368 ( 1.946 -1.970 -1.462) 3.131 2.411 ( -2.084 -3.889 0.667) 4.462 2.434 ( -2.412 -3.840 -0.293) 4.545 2.637 ( 3.053 2.217 1.380) 4.017 2.669 ( 0.896 0.952 -0.371) 1.359 2.722 ( 0.165 0.870 1.212) 1.502 2.736 ( -0.266 -0.832 0.431) 0.974 3.510 ( -0.799 10.271 0.464) 10.312 3.519 ( -1.570 9.778 0.148) 9.905 3.954 ( 0.162 -10.426 0.393) 10.434 3.959 ( -0.432 -10.859 0.185) 10.869 5.049 ( -0.124 7.192 0.345) 7.202 5.052 ( -0.373 7.280 0.315) 7.296 5.139 ( 0.390 3.288 0.155) 3.315 5.144 ( -0.021 3.433 0.088) 3.434 5.391 ( 0.359 8.188 1.332) 8.303 5.402 ( -0.756 7.486 0.870) 7.574 5.505 ( 1.236 3.277 0.784) 3.589 5.517 ( 0.142 2.968 0.406) 2.999 6.309 ( 0.413 1.286 0.537) 1.454 6.354 ( -3.224 1.497 -1.531) 3.871 6.457 ( 0.849 -5.268 0.935) 5.418 6.518 ( -4.106 -5.540 -1.884) 7.149 7.023 ( 2.603 0.872 1.495) 3.126 7.066 ( 0.674 -0.548 1.577) 1.801 7.071 ( 0.762 -1.317 2.214) 2.686 7.099 ( -0.078 -2.480 0.248) 2.493 7.170 ( 1.076 -0.470 -2.590) 2.844 7.182 ( 0.322 -1.718 -1.126) 2.080 7.218 ( -0.416 -1.522 -1.100) 1.923 7.241 ( -2.344 -1.126 -2.421) 3.553 7.496 ( 0.810 4.424 1.665) 4.796 7.530 ( -1.928 5.297 0.528) 5.662 7.656 ( 2.038 -1.463 1.139) 2.755 7.710 ( -2.371 -1.531 -0.958) 2.980 8.037 ( 0.138 5.982 0.784) 6.035 8.048 ( -0.776 6.547 0.418) 6.606 8.292 ( 2.067 -4.197 0.446) 4.700 8.308 ( 0.712 -4.971 -0.075) 5.022 8.500 ( 1.145 -0.538 -0.247) 1.289 8.512 ( 0.205 -1.491 -0.270) 1.529 8.538 ( 1.302 -2.803 0.293) 3.104 8.562 ( -0.166 -3.365 -0.708) 3.443 9.011 ( 0.845 3.547 0.700) 3.713 9.060 ( -3.176 2.958 1.433) 4.570 9.114 ( 2.291 -1.470 -1.934) 3.339 9.172 ( -2.647 -2.455 -2.045) 4.149 9.641 ( 1.035 1.832 0.521) 2.168 9.657 ( 0.305 1.446 -0.111) 1.482 9.667 ( 0.135 0.813 0.601) 1.020 9.687 ( -0.873 0.389 -0.188) 0.974 ======================= Grid point 110 (46/72) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.000 -1.308 -3.260) 3.512 1.538 ( 0.000 1.308 -3.260) 3.512 1.601 ( 0.000 -0.544 -2.364) 2.426 1.601 ( 0.000 0.544 -2.364) 2.426 1.953 ( 0.000 -0.654 0.095) 0.661 1.953 ( 0.000 0.654 0.095) 0.661 2.083 ( 0.000 -0.657 0.568) 0.869 2.083 ( 0.000 0.657 0.568) 0.869 2.290 ( 0.000 -2.229 -2.407) 3.281 2.290 ( 0.000 2.229 -2.407) 3.281 2.367 ( 0.000 -0.062 0.055) 0.083 2.367 ( 0.000 0.062 0.055) 0.083 2.596 ( 0.000 -1.384 -0.649) 1.529 2.596 ( 0.000 1.384 -0.649) 1.529 2.724 ( 0.000 -0.772 1.874) 2.027 2.724 ( 0.000 0.772 1.874) 2.027 3.724 ( 0.000 -1.825 -1.184) 2.175 3.724 ( 0.000 1.825 -1.184) 2.175 3.801 ( 0.000 -2.254 1.861) 2.923 3.801 ( 0.000 2.254 1.861) 2.923 5.121 ( 0.000 -0.653 0.397) 0.764 5.121 ( 0.000 0.653 0.397) 0.764 5.159 ( 0.000 -0.419 0.923) 1.014 5.159 ( 0.000 0.419 0.923) 1.014 5.490 ( 0.000 -0.466 0.922) 1.033 5.490 ( 0.000 0.466 0.922) 1.033 5.531 ( 0.000 -0.042 0.346) 0.348 5.531 ( 0.000 0.042 0.346) 0.348 6.357 ( 0.000 -2.322 -0.012) 2.322 6.357 ( 0.000 2.322 -0.012) 2.322 6.611 ( 0.000 -2.506 -1.421) 2.880 6.611 ( 0.000 2.506 -1.421) 2.881 6.960 ( 0.000 -0.489 2.614) 2.660 6.960 ( 0.000 0.489 2.614) 2.660 7.028 ( 0.000 -1.112 -0.061) 1.113 7.028 ( 0.000 1.112 -0.061) 1.113 7.143 ( 0.000 -0.451 -1.473) 1.540 7.143 ( 0.000 0.451 -1.473) 1.540 7.274 ( 0.000 -2.074 -0.894) 2.258 7.274 ( 0.000 2.074 -0.894) 2.258 7.538 ( 0.000 -0.236 0.378) 0.446 7.538 ( 0.000 0.236 0.378) 0.446 7.716 ( 0.000 -1.768 0.317) 1.796 7.716 ( 0.000 1.768 0.317) 1.796 8.142 ( 0.000 -4.828 0.886) 4.909 8.142 ( 0.000 4.828 0.886) 4.909 8.166 ( 0.000 -3.783 -0.018) 3.783 8.166 ( 0.000 3.783 -0.018) 3.783 8.464 ( 0.000 -0.724 -0.784) 1.067 8.464 ( 0.000 0.724 -0.784) 1.067 8.490 ( 0.000 -0.356 0.008) 0.356 8.490 ( 0.000 0.356 0.008) 0.356 9.050 ( 0.000 -0.188 -0.715) 0.739 9.050 ( 0.000 0.188 -0.715) 0.739 9.212 ( 0.000 -0.944 -0.172) 0.960 9.212 ( 0.000 0.944 -0.172) 0.960 9.614 ( 0.000 -0.014 0.458) 0.458 9.614 ( 0.000 0.014 0.458) 0.458 9.703 ( 0.000 -0.227 -0.052) 0.233 9.703 ( 0.000 0.227 -0.052) 0.233 ======================= Grid point 112 (47/72) ======================= q-point: ( 0.20 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -0.349 -1.287 -3.023) 3.304 1.533 ( -0.349 1.287 -3.023) 3.304 1.584 ( -1.405 -0.797 -2.185) 2.717 1.584 ( -1.405 0.797 -2.185) 2.717 1.957 ( 0.431 -2.646 -0.097) 2.683 1.957 ( 0.431 2.646 -0.097) 2.683 2.060 ( -1.907 -3.333 0.400) 3.861 2.060 ( -1.907 3.333 0.400) 3.861 2.310 ( 1.541 -2.942 -2.014) 3.884 2.310 ( 1.541 2.942 -2.014) 3.884 2.363 ( -0.185 -0.305 -0.245) 0.433 2.363 ( -0.185 0.305 -0.245) 0.433 2.626 ( 2.436 -1.718 -0.400) 3.008 2.626 ( 2.436 1.718 -0.400) 3.008 2.721 ( -0.226 -0.617 1.750) 1.869 2.721 ( -0.226 0.617 1.750) 1.869 3.723 ( -0.081 -1.843 -0.803) 2.012 3.723 ( -0.081 1.843 -0.803) 2.012 3.781 ( -1.660 -1.899 1.531) 2.950 3.781 ( -1.660 1.899 1.531) 2.950 5.124 ( 0.276 -0.911 0.237) 0.981 5.124 ( 0.276 0.911 0.237) 0.981 5.154 ( -0.353 -0.989 0.855) 1.354 5.154 ( -0.353 0.989 0.855) 1.354 5.498 ( 0.684 -1.617 0.803) 1.931 5.498 ( 0.684 1.618 0.803) 1.931 5.528 ( -0.242 -1.722 0.534) 1.819 5.528 ( -0.242 1.722 0.534) 1.819 6.349 ( -0.443 -2.203 0.287) 2.265 6.349 ( -0.443 2.203 0.287) 2.265 6.543 ( -5.274 -3.007 -1.677) 6.298 6.543 ( -5.274 3.007 -1.677) 6.298 6.986 ( 2.057 -0.887 2.028) 3.022 6.986 ( 2.057 0.888 2.028) 3.022 7.052 ( 1.638 -0.707 0.504) 1.854 7.052 ( 1.638 0.707 0.504) 1.854 7.150 ( 0.677 -0.365 -1.487) 1.674 7.150 ( 0.677 0.365 -1.487) 1.674 7.253 ( -1.684 -2.006 -0.987) 2.799 7.253 ( -1.684 2.006 -0.987) 2.799 7.547 ( 0.906 -2.062 0.522) 2.312 7.547 ( 0.906 2.062 0.522) 2.312 7.697 ( -1.745 -3.082 0.260) 3.551 7.697 ( -1.745 3.082 0.260) 3.551 8.151 ( 0.785 -5.186 0.792) 5.305 8.151 ( 0.785 5.187 0.792) 5.305 8.180 ( 0.940 -4.629 0.091) 4.724 8.180 ( 0.940 4.629 0.091) 4.724 8.471 ( 0.763 -0.534 -0.612) 1.114 8.471 ( 0.763 0.534 -0.612) 1.114 8.504 ( 1.130 -0.727 0.062) 1.345 8.504 ( 1.130 0.727 0.062) 1.345 9.054 ( 0.351 -1.036 -1.187) 1.614 9.054 ( 0.351 1.036 -1.187) 1.614 9.184 ( -2.349 -1.794 0.043) 2.956 9.184 ( -2.349 1.794 0.043) 2.956 9.628 ( 1.184 -0.129 0.411) 1.260 9.628 ( 1.184 0.129 0.411) 1.260 9.699 ( -0.403 -0.370 0.028) 0.548 9.699 ( -0.403 0.370 0.028) 0.548 ======================= Grid point 114 (48/72) ======================= q-point: ( 0.40 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( 0.324 -1.215 -2.518) 2.815 1.530 ( 0.324 1.215 -2.518) 2.815 1.550 ( -1.438 -1.077 -2.142) 2.796 1.550 ( -1.438 1.077 -2.142) 2.796 1.974 ( 1.247 -4.614 -0.507) 4.806 1.974 ( 1.247 4.614 -0.507) 4.806 2.013 ( -2.182 -4.942 -0.288) 5.410 2.013 ( -2.182 4.942 -0.288) 5.410 2.342 ( 1.233 -2.715 -0.819) 3.092 2.342 ( 1.233 2.715 -0.819) 3.092 2.359 ( -0.332 -0.409 -0.356) 0.636 2.359 ( -0.332 0.409 -0.356) 0.636 2.681 ( 2.211 -1.279 0.123) 2.557 2.681 ( 2.211 1.279 0.123) 2.557 2.713 ( -0.744 -0.278 1.041) 1.309 2.713 ( -0.744 0.278 1.041) 1.309 3.724 ( 0.301 -1.957 0.020) 1.980 3.724 ( 0.301 1.957 0.020) 1.980 3.743 ( -1.503 -1.842 0.816) 2.514 3.743 ( -1.503 1.842 0.816) 2.514 5.133 ( 0.515 -1.025 0.199) 1.165 5.133 ( 0.515 1.025 0.199) 1.165 5.145 ( -0.514 -1.103 0.541) 1.332 5.145 ( -0.514 1.103 0.541) 1.332 5.513 ( 0.584 -2.316 0.686) 2.486 5.513 ( 0.584 2.317 0.686) 2.486 5.522 ( -0.302 -2.418 0.732) 2.544 5.522 ( -0.302 2.418 0.732) 2.544 6.356 ( 1.515 -3.094 0.022) 3.445 6.356 ( 1.515 3.094 0.022) 3.445 6.425 ( -4.775 -3.590 -1.061) 6.068 6.425 ( -4.775 3.590 -1.061) 6.068 7.036 ( 2.287 -1.018 1.527) 2.932 7.036 ( 2.287 1.018 1.527) 2.932 7.070 ( -0.425 -0.588 1.398) 1.575 7.070 ( -0.425 0.588 1.398) 1.575 7.173 ( 1.487 -0.412 -1.976) 2.507 7.173 ( 1.487 0.412 -1.976) 2.507 7.212 ( -1.933 -1.226 -1.637) 2.814 7.212 ( -1.933 1.226 -1.637) 2.814 7.582 ( 2.358 -3.541 0.726) 4.316 7.582 ( 2.358 3.541 0.726) 4.316 7.643 ( -2.990 -4.054 0.481) 5.060 7.643 ( -2.990 4.054 0.481) 5.060 8.173 ( 1.092 -5.951 0.501) 6.071 8.173 ( 1.092 5.951 0.501) 6.071 8.190 ( -0.235 -5.844 0.384) 5.861 8.190 ( -0.235 5.844 0.384) 5.861 8.499 ( 1.583 -0.177 -0.316) 1.624 8.499 ( 1.583 0.177 -0.316) 1.624 8.521 ( -0.072 -0.883 -0.035) 0.887 8.521 ( -0.072 0.883 -0.035) 0.887 9.072 ( 1.561 -2.461 -1.214) 3.157 9.072 ( 1.561 2.461 -1.214) 3.157 9.123 ( -2.912 -2.696 -0.206) 3.974 9.123 ( -2.912 2.696 -0.206) 3.974 9.658 ( 1.441 -0.367 0.326) 1.522 9.658 ( 1.441 0.367 0.326) 1.522 9.685 ( -0.954 -0.498 0.195) 1.093 9.685 ( -0.954 0.498 0.195) 1.093 ======================= Grid point 150 (49/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 0.000 0.000 -13.865) 13.865 0.607 ( 0.000 0.000 13.865) 13.865 0.629 ( 0.000 0.000 -14.108) 14.108 0.629 ( 0.000 0.000 14.108) 14.108 1.172 ( 0.000 0.000 -22.212) 22.212 1.172 ( 0.000 0.000 22.212) 22.212 1.471 ( 0.000 0.000 -0.600) 0.600 1.471 ( 0.000 0.000 0.600) 0.600 1.550 ( 0.000 0.000 -0.836) 0.836 1.550 ( 0.000 0.000 0.836) 0.836 1.868 ( 0.000 0.000 -0.094) 0.094 1.868 ( 0.000 0.000 0.094) 0.094 2.075 ( 0.000 0.000 -1.369) 1.369 2.075 ( 0.000 0.000 1.369) 1.369 2.166 ( 0.000 0.000 -3.019) 3.019 2.166 ( 0.000 0.000 3.019) 3.019 2.473 ( 0.000 0.000 -0.675) 0.675 2.473 ( 0.000 0.000 0.675) 0.675 2.600 ( 0.000 0.000 -3.023) 3.023 2.600 ( 0.000 0.000 3.023) 3.023 3.561 ( 0.000 0.000 -2.830) 2.830 3.561 ( 0.000 0.000 2.830) 2.830 4.707 ( 0.000 0.000 -0.176) 0.176 4.707 ( 0.000 0.000 0.176) 0.176 5.245 ( 0.000 0.000 -3.583) 3.583 5.245 ( 0.000 0.000 3.583) 3.583 5.508 ( 0.000 0.000 -10.714) 10.714 5.508 ( 0.000 0.000 10.714) 10.714 5.712 ( 0.000 0.000 -2.560) 2.560 5.712 ( 0.000 0.000 2.560) 2.560 5.887 ( 0.000 0.000 -4.221) 4.221 5.887 ( 0.000 0.000 4.221) 4.221 6.468 ( 0.000 0.000 -1.063) 1.063 6.468 ( 0.000 0.000 1.063) 1.063 6.532 ( 0.000 0.000 -0.289) 0.289 6.532 ( 0.000 0.000 0.289) 0.289 6.991 ( 0.000 0.000 -5.127) 5.127 6.991 ( 0.000 0.000 5.127) 5.127 7.121 ( 0.000 0.000 -0.793) 0.793 7.121 ( 0.000 0.000 0.793) 0.793 7.437 ( 0.000 0.000 -0.570) 0.570 7.437 ( 0.000 0.000 0.570) 0.570 7.467 ( 0.000 0.000 -4.321) 4.321 7.467 ( 0.000 0.000 4.321) 4.321 7.753 ( 0.000 0.000 -1.469) 1.469 7.753 ( 0.000 0.000 1.469) 1.469 8.192 ( 0.000 0.000 -9.593) 9.593 8.192 ( 0.000 0.000 9.593) 9.593 8.488 ( 0.000 0.000 -2.827) 2.827 8.488 ( 0.000 0.000 2.827) 2.827 8.958 ( 0.000 0.000 -3.477) 3.477 8.958 ( 0.000 0.000 3.477) 3.477 9.333 ( 0.000 0.000 -2.571) 2.571 9.333 ( 0.000 0.000 2.571) 2.571 9.577 ( 0.000 0.000 -2.147) 2.147 9.577 ( 0.000 0.000 2.147) 2.147 9.682 ( 0.000 0.000 -3.409) 3.409 9.682 ( 0.000 0.000 3.409) 3.409 10.019 ( 0.000 0.000 -0.201) 0.201 10.019 ( 0.000 0.000 0.201) 0.201 ======================= Grid point 152 (50/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 3.445 0.000 -10.478) 11.030 0.623 ( 3.445 0.000 10.478) 11.030 0.812 ( 13.912 0.000 -9.267) 16.716 0.812 ( 13.912 0.000 9.267) 16.716 1.199 ( -0.644 0.000 -12.957) 12.973 1.199 ( -0.644 0.000 12.957) 12.973 1.501 ( 3.571 0.000 -2.520) 4.371 1.501 ( 3.571 0.000 2.520) 4.371 1.516 ( -3.171 0.000 -0.569) 3.222 1.516 ( -3.171 0.000 0.569) 3.222 1.913 ( 4.996 0.000 -7.349) 8.886 1.913 ( 4.996 0.000 7.349) 8.886 2.079 ( 0.303 0.000 -1.213) 1.250 2.079 ( 0.303 0.000 1.213) 1.250 2.089 ( -4.895 0.000 -1.295) 5.063 2.089 ( -4.895 0.000 1.295) 5.063 2.452 ( -1.725 0.000 -0.559) 1.814 2.452 ( -1.725 0.000 0.559) 1.814 2.599 ( -1.423 0.000 -6.767) 6.915 2.599 ( -1.423 0.000 6.767) 6.915 3.539 ( -1.134 0.000 -2.701) 2.929 3.539 ( -1.134 0.000 2.701) 2.929 4.656 ( -4.312 0.000 -0.392) 4.330 4.656 ( -4.312 0.000 0.392) 4.330 5.278 ( 2.856 0.000 -3.181) 4.275 5.278 ( 2.856 0.000 3.181) 4.275 5.498 ( 0.829 0.000 -4.980) 5.048 5.498 ( 0.829 0.000 4.980) 5.048 5.677 ( -3.001 0.000 -2.296) 3.779 5.677 ( -3.001 0.000 2.296) 3.779 5.825 ( -4.981 0.000 -3.380) 6.019 5.825 ( -4.981 0.000 3.380) 6.019 6.467 ( -0.145 0.000 -1.185) 1.194 6.467 ( -0.145 0.000 1.185) 1.194 6.533 ( 0.102 0.000 -0.332) 0.348 6.533 ( 0.102 0.000 0.332) 0.348 7.146 ( 7.245 0.000 -5.845) 9.309 7.146 ( 7.245 0.000 5.845) 9.309 7.154 ( 2.789 0.000 -0.550) 2.842 7.154 ( 2.789 0.000 0.550) 2.842 7.418 ( -1.620 0.000 -0.531) 1.705 7.418 ( -1.620 0.000 0.531) 1.705 7.549 ( 4.423 0.000 -2.272) 4.972 7.549 ( 4.423 0.000 2.272) 4.972 7.802 ( 5.752 0.000 -2.411) 6.237 7.802 ( 5.752 0.000 2.411) 6.237 8.196 ( -0.355 0.000 -6.104) 6.114 8.196 ( -0.355 0.000 6.104) 6.114 8.585 ( 7.766 0.000 -2.473) 8.150 8.585 ( 7.766 0.000 2.473) 8.150 8.961 ( 0.382 0.000 -3.658) 3.678 8.961 ( 0.382 0.000 3.658) 3.678 9.322 ( -1.208 0.000 -4.009) 4.187 9.322 ( -1.208 0.000 4.009) 4.187 9.579 ( 0.372 0.000 -1.676) 1.717 9.579 ( 0.372 0.000 1.676) 1.717 9.663 ( -1.291 0.000 -3.831) 4.042 9.663 ( -1.291 0.000 3.831) 4.042 9.955 ( -4.866 0.000 -1.704) 5.156 9.955 ( -4.866 0.000 1.704) 5.156 ======================= Grid point 154 (51/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 8.306 0.000 -6.310) 10.431 0.770 ( 8.306 0.000 6.310) 10.431 1.084 ( -7.947 0.000 -5.221) 9.509 1.084 ( -7.947 0.000 5.221) 9.509 1.112 ( 11.379 0.000 -3.478) 11.899 1.112 ( 11.379 0.000 3.478) 11.899 1.411 ( -6.023 0.000 -0.390) 6.036 1.411 ( -6.023 0.000 0.390) 6.036 1.625 ( 6.018 0.000 -2.566) 6.542 1.625 ( 6.018 0.000 2.566) 6.542 1.873 ( -6.000 0.000 -4.294) 7.378 1.873 ( -6.000 0.000 4.294) 7.378 2.086 ( 0.246 0.000 -0.545) 0.598 2.086 ( 0.246 0.000 0.545) 0.598 2.219 ( 13.519 0.000 -6.245) 14.892 2.219 ( 13.519 0.000 6.245) 14.892 2.415 ( -1.196 0.000 -0.230) 1.218 2.415 ( -1.196 0.000 0.230) 1.218 2.489 ( -9.103 0.000 -6.811) 11.369 2.489 ( -9.103 0.000 6.811) 11.369 3.526 ( -0.218 0.000 -1.244) 1.263 3.526 ( -0.218 0.000 1.244) 1.263 4.566 ( -2.779 0.000 -0.131) 2.782 4.566 ( -2.779 0.000 0.131) 2.782 5.348 ( 2.690 0.000 -1.653) 3.157 5.348 ( 2.690 0.000 1.653) 3.157 5.565 ( 4.912 0.000 -1.415) 5.112 5.565 ( 4.912 0.000 1.415) 5.112 5.604 ( -2.745 0.000 -1.282) 3.030 5.604 ( -2.745 0.000 1.282) 3.030 5.695 ( -6.428 0.000 -1.171) 6.534 5.695 ( -6.428 0.000 1.171) 6.534 6.463 ( -0.127 0.000 -0.582) 0.596 6.463 ( -0.127 0.000 0.582) 0.596 6.536 ( 0.105 0.000 -0.238) 0.261 6.536 ( 0.105 0.000 0.238) 0.261 7.220 ( 2.504 0.000 -0.110) 2.506 7.220 ( 2.504 0.000 0.110) 2.506 7.242 ( 2.299 0.000 -2.095) 3.110 7.242 ( 2.299 0.000 2.095) 3.110 7.375 ( -1.820 0.000 -0.293) 1.843 7.375 ( -1.820 0.000 0.293) 1.843 7.568 ( -0.968 0.000 -1.175) 1.522 7.568 ( -0.968 0.000 1.175) 1.522 7.960 ( 5.792 0.000 -2.354) 6.252 7.960 ( 5.792 0.000 2.354) 6.252 8.165 ( -2.013 0.000 -2.512) 3.219 8.165 ( -2.013 0.000 2.512) 3.219 8.744 ( 5.172 0.000 -3.419) 6.199 8.744 ( 5.172 0.000 3.419) 6.199 8.965 ( -0.391 0.000 -3.501) 3.522 8.965 ( -0.391 0.000 3.501) 3.522 9.285 ( -1.454 0.000 -3.677) 3.954 9.285 ( -1.454 0.000 3.677) 3.954 9.588 ( 0.078 0.000 -1.337) 1.339 9.588 ( 0.078 0.000 1.337) 1.339 9.655 ( 0.704 0.000 -3.399) 3.471 9.655 ( 0.704 0.000 3.399) 3.471 9.857 ( -3.183 0.000 -1.483) 3.511 9.857 ( -3.183 0.000 1.483) 3.511 ======================= Grid point 160 (52/72) ======================= q-point: ( 0.00 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 0.000 5.779 -4.824) 7.528 0.549 ( 0.000 5.779 4.824) 7.528 0.916 ( 0.000 15.225 -4.313) 15.824 0.916 ( 0.000 15.225 4.313) 15.824 1.233 ( 0.000 8.332 -12.323) 14.875 1.233 ( 0.000 8.332 12.323) 14.875 1.498 ( 0.000 4.328 -1.592) 4.612 1.498 ( 0.000 4.328 1.592) 4.612 1.631 ( 0.000 5.519 -0.688) 5.561 1.631 ( 0.000 5.519 0.688) 5.561 1.857 ( 0.000 2.093 -1.935) 2.850 1.857 ( 0.000 2.093 1.935) 2.850 2.145 ( 0.000 0.195 -4.152) 4.157 2.145 ( 0.000 0.195 4.152) 4.157 2.163 ( 0.000 5.927 -1.490) 6.112 2.163 ( 0.000 5.927 1.490) 6.112 2.534 ( 0.000 7.785 -2.841) 8.287 2.534 ( 0.000 7.785 2.841) 8.287 2.675 ( 0.000 12.126 -1.630) 12.235 2.675 ( 0.000 12.126 1.630) 12.235 3.584 ( 0.000 4.910 -1.788) 5.226 3.584 ( 0.000 4.910 1.788) 5.226 4.699 ( 0.000 -0.510 -0.021) 0.510 4.699 ( 0.000 -0.510 0.021) 0.510 5.322 ( 0.000 -1.489 -4.594) 4.829 5.322 ( 0.000 -1.489 4.594) 4.829 5.786 ( 0.000 0.587 -1.053) 1.206 5.786 ( 0.000 0.587 1.053) 1.206 5.909 ( 0.000 17.090 -2.243) 17.236 5.909 ( 0.000 17.090 2.243) 17.236 6.231 ( 0.000 42.388 -19.994) 46.866 6.231 ( 0.000 42.388 19.994) 46.866 6.560 ( 0.000 8.176 -0.402) 8.186 6.560 ( 0.000 8.176 0.402) 8.186 6.572 ( 0.000 4.901 -0.227) 4.906 6.572 ( 0.000 4.901 0.227) 4.906 6.990 ( 0.000 -0.331 -4.069) 4.083 6.990 ( 0.000 -0.331 4.069) 4.083 7.197 ( 0.000 8.565 -3.343) 9.194 7.197 ( 0.000 8.565 3.343) 9.194 7.423 ( 0.000 -0.900 -1.185) 1.488 7.423 ( 0.000 -0.900 1.185) 1.488 7.529 ( 0.000 7.219 -0.218) 7.222 7.529 ( 0.000 7.219 0.218) 7.222 7.742 ( 0.000 -0.907 -1.404) 1.671 7.742 ( 0.000 -0.907 1.404) 1.671 8.199 ( 0.000 0.501 -9.560) 9.573 8.199 ( 0.000 0.501 9.560) 9.573 8.462 ( 0.000 -2.250 -2.565) 3.412 8.462 ( 0.000 -2.250 2.565) 3.412 8.954 ( 0.000 -0.259 -3.079) 3.089 8.954 ( 0.000 -0.259 3.079) 3.089 9.299 ( 0.000 -3.595 -3.384) 4.937 9.299 ( 0.000 -3.595 3.384) 4.937 9.541 ( 0.000 -3.639 -2.319) 4.315 9.541 ( 0.000 -3.639 2.319) 4.315 9.655 ( 0.000 -2.384 -2.163) 3.219 9.655 ( 0.000 -2.384 2.163) 3.219 9.915 ( 0.000 -9.673 -2.144) 9.908 9.915 ( 0.000 -9.673 2.144) 9.908 ======================= Grid point 162 (53/72) ======================= q-point: ( 0.20 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 2.808 1.570 -7.303) 7.980 0.538 ( 2.808 1.570 7.303) 7.980 1.009 ( 6.227 8.780 -8.587) 13.770 1.009 ( 6.227 8.780 8.587) 13.770 1.268 ( 1.034 10.036 -4.885) 11.210 1.268 ( 1.034 10.036 4.885) 11.210 1.509 ( 0.678 3.100 -1.171) 3.383 1.509 ( 0.678 3.100 1.171) 3.383 1.637 ( 1.203 8.858 -1.712) 9.102 1.637 ( 1.203 8.858 1.712) 9.102 1.864 ( 0.167 -1.640 -3.788) 4.132 1.864 ( 0.167 -1.640 3.788) 4.132 2.081 ( -4.018 2.138 -1.460) 4.780 2.081 ( -4.018 2.138 1.460) 4.780 2.198 ( 3.148 6.964 -2.473) 8.033 2.198 ( 3.148 6.964 2.473) 8.033 2.579 ( 2.431 11.560 -0.774) 11.838 2.579 ( 2.431 11.560 0.774) 11.838 2.664 ( -0.536 11.236 -3.478) 11.774 2.664 ( -0.536 11.236 3.478) 11.774 3.580 ( -0.425 5.191 -1.924) 5.552 3.580 ( -0.425 5.191 1.924) 5.552 4.648 ( -4.009 -0.243 -0.039) 4.016 4.648 ( -4.009 -0.243 0.039) 4.016 5.344 ( 2.114 -1.237 -4.181) 4.846 5.344 ( 2.114 -1.237 4.181) 4.846 5.716 ( -5.556 1.412 -1.345) 5.888 5.716 ( -5.556 1.412 1.345) 5.888 5.903 ( -0.901 18.458 -1.697) 18.558 5.903 ( -0.901 18.458 1.697) 18.558 6.045 ( -10.301 37.682 -6.952) 39.679 6.045 ( -10.301 37.682 6.952) 39.679 6.541 ( -0.895 6.603 -0.456) 6.679 6.541 ( -0.895 6.603 0.456) 6.679 6.585 ( 0.816 5.715 -0.065) 5.773 6.585 ( 0.816 5.715 0.065) 5.773 7.053 ( 3.336 -4.919 -2.685) 6.522 7.053 ( 3.336 -4.919 2.685) 6.522 7.237 ( 1.569 4.057 -1.318) 4.545 7.237 ( 1.569 4.057 1.318) 4.545 7.437 ( 0.647 1.583 -0.207) 1.723 7.437 ( 0.647 1.583 0.207) 1.723 7.598 ( 2.587 5.365 -3.460) 6.888 7.598 ( 2.587 5.365 3.460) 6.888 7.784 ( 5.370 -1.690 -2.216) 6.049 7.784 ( 5.370 -1.690 2.216) 6.049 8.197 ( -0.702 -0.035 -5.161) 5.209 8.197 ( -0.702 -0.035 5.161) 5.209 8.564 ( 7.977 -1.827 -3.004) 8.717 8.564 ( 7.977 -1.827 3.004) 8.717 8.956 ( 0.210 -0.409 -3.434) 3.464 8.956 ( 0.210 -0.409 3.434) 3.464 9.287 ( -1.235 -3.590 -4.552) 5.927 9.287 ( -1.235 -3.590 4.552) 5.927 9.545 ( 0.540 -3.426 -1.565) 3.805 9.545 ( 0.540 -3.426 1.565) 3.805 9.639 ( -1.165 -2.265 -2.901) 3.860 9.639 ( -1.165 -2.265 2.901) 3.860 9.861 ( -4.128 -8.781 -3.067) 10.176 9.861 ( -4.128 -8.781 3.067) 10.176 ======================= Grid point 164 (54/72) ======================= q-point: ( 0.40 0.07 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 7.918 -3.005 -4.013) 9.372 0.690 ( 7.918 -3.005 4.013) 9.372 1.058 ( -2.903 0.791 -5.055) 5.883 1.058 ( -2.903 0.791 5.055) 5.883 1.307 ( 4.279 13.812 -3.004) 14.769 1.307 ( 4.279 13.812 3.004) 14.769 1.478 ( -3.395 3.191 -1.715) 4.965 1.478 ( -3.395 3.191 1.715) 4.965 1.712 ( 4.819 9.641 -1.667) 10.907 1.712 ( 4.819 9.641 1.667) 10.907 1.827 ( -3.454 -3.419 -3.275) 5.860 1.827 ( -3.454 -3.419 3.275) 5.860 2.021 ( -1.372 2.343 -0.178) 2.721 2.021 ( -1.372 2.343 0.178) 2.721 2.291 ( 3.786 1.690 -2.346) 4.763 2.291 ( 3.786 1.690 2.346) 4.763 2.585 ( -0.856 14.339 -0.550) 14.375 2.585 ( -0.856 14.339 0.550) 14.375 2.675 ( 0.718 18.771 -2.768) 18.988 2.675 ( 0.718 18.771 2.768) 18.988 3.568 ( -0.479 4.842 -1.087) 4.986 3.568 ( -0.479 4.842 1.087) 4.986 4.567 ( -2.460 0.419 -0.119) 2.498 4.567 ( -2.460 0.419 0.119) 2.498 5.415 ( 4.030 -0.282 -2.722) 4.872 5.415 ( 4.030 -0.282 2.722) 4.872 5.584 ( -5.607 -0.692 -1.360) 5.811 5.584 ( -5.607 -0.692 1.360) 5.811 5.877 ( -0.884 22.218 -0.679) 22.246 5.877 ( -0.884 22.218 0.679) 22.246 5.907 ( -2.810 29.048 -0.611) 29.190 5.907 ( -2.810 29.048 0.611) 29.190 6.528 ( -0.294 6.270 -0.150) 6.279 6.528 ( -0.294 6.270 0.150) 6.279 6.599 ( 0.353 6.273 -0.074) 6.283 6.599 ( 0.353 6.273 0.074) 6.283 7.114 ( 1.973 -7.675 -1.493) 8.064 7.114 ( 1.973 -7.675 1.493) 8.064 7.247 ( -0.249 1.014 -0.472) 1.146 7.247 ( -0.249 1.014 0.472) 1.146 7.456 ( 1.084 4.612 -0.641) 4.781 7.456 ( 1.084 4.612 0.641) 4.781 7.585 ( -1.800 2.035 -1.574) 3.140 7.585 ( -1.800 2.035 1.574) 3.140 7.920 ( 4.517 -4.032 -1.997) 6.376 7.920 ( 4.517 -4.032 1.997) 6.376 8.168 ( -1.475 0.309 -1.947) 2.462 8.168 ( -1.475 0.309 1.947) 2.462 8.725 ( 5.228 -1.819 -3.202) 6.395 8.725 ( 5.228 -1.819 3.202) 6.395 8.953 ( -0.646 -1.036 -3.279) 3.499 8.953 ( -0.646 -1.036 3.279) 3.499 9.251 ( -1.367 -3.328 -3.637) 5.116 9.251 ( -1.367 -3.328 3.637) 5.116 9.557 ( 0.119 -3.366 -1.142) 3.557 9.557 ( 0.119 -3.366 1.142) 3.557 9.632 ( 0.743 -2.191 -3.201) 3.950 9.632 ( 0.743 -2.191 3.201) 3.950 9.775 ( -3.001 -7.841 -2.183) 8.675 9.775 ( -3.001 -7.841 2.183) 8.675 ======================= Grid point 170 (55/72) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( 0.000 16.062 -1.369) 16.120 0.797 ( 0.000 16.062 1.369) 16.120 1.090 ( 0.000 5.368 -4.618) 7.081 1.090 ( 0.000 5.368 4.618) 7.081 1.395 ( 0.000 5.011 -1.666) 5.280 1.395 ( 0.000 5.011 1.666) 5.280 1.727 ( 0.000 13.380 -0.068) 13.380 1.727 ( 0.000 13.380 0.068) 13.380 1.760 ( 0.000 12.677 -3.331) 13.107 1.760 ( 0.000 12.677 3.331) 13.107 1.938 ( 0.000 4.546 -0.904) 4.635 1.938 ( 0.000 4.546 0.904) 4.635 2.149 ( 0.000 3.463 -2.132) 4.066 2.149 ( 0.000 3.463 2.132) 4.066 2.372 ( 0.000 13.418 -6.820) 15.052 2.372 ( 0.000 13.418 6.820) 15.052 2.850 ( 0.000 23.073 -2.713) 23.231 2.850 ( 0.000 23.073 2.713) 23.231 2.944 ( 0.000 13.887 -2.124) 14.048 2.944 ( 0.000 13.887 2.124) 14.048 3.778 ( 0.000 15.275 -2.769) 15.524 3.778 ( 0.000 15.275 2.769) 15.524 4.681 ( 0.000 -1.546 -0.267) 1.569 4.681 ( 0.000 -1.546 0.267) 1.569 5.274 ( 0.000 -2.605 -5.589) 6.166 5.274 ( 0.000 -2.605 5.589) 6.166 5.716 ( 0.000 -5.327 -1.510) 5.537 5.716 ( 0.000 -5.327 1.510) 5.537 6.296 ( 0.000 17.990 -0.123) 17.990 6.296 ( 0.000 17.990 0.123) 17.990 6.629 ( 0.000 5.229 -3.078) 6.068 6.629 ( 0.000 5.229 3.078) 6.068 6.760 ( 0.000 12.284 -5.619) 13.508 6.760 ( 0.000 12.284 5.619) 13.508 6.776 ( 0.000 13.407 -1.783) 13.525 6.776 ( 0.000 13.407 1.783) 13.525 6.975 ( 0.000 -1.182 -2.472) 2.740 6.975 ( 0.000 -1.182 2.472) 2.740 7.349 ( 0.000 3.620 -0.227) 3.627 7.349 ( 0.000 3.620 0.227) 3.627 7.417 ( 0.000 0.571 -1.255) 1.379 7.417 ( 0.000 0.571 1.255) 1.379 7.666 ( 0.000 -0.346 -2.675) 2.697 7.666 ( 0.000 -0.346 2.675) 2.697 7.833 ( 0.000 13.243 -14.581) 19.698 7.833 ( 0.000 13.243 14.581) 19.698 8.194 ( 0.000 -0.920 -9.894) 9.937 8.194 ( 0.000 -0.920 9.894) 9.937 8.438 ( 0.000 0.699 -2.842) 2.927 8.438 ( 0.000 0.699 2.842) 2.927 8.953 ( 0.000 0.031 -1.593) 1.594 8.953 ( 0.000 0.031 1.593) 1.594 9.190 ( 0.000 -7.569 -5.589) 9.409 9.190 ( 0.000 -7.569 5.589) 9.409 9.454 ( 0.000 -4.730 -0.945) 4.824 9.454 ( 0.000 -4.730 0.945) 4.824 9.606 ( 0.000 -2.496 -0.961) 2.674 9.606 ( 0.000 -2.496 0.961) 2.674 9.703 ( 0.000 -10.545 -3.780) 11.202 9.703 ( 0.000 -10.545 3.780) 11.202 ======================= Grid point 172 (56/72) ======================= q-point: ( 0.20 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -2.523 15.790 -3.600) 16.391 0.740 ( -2.523 15.790 3.600) 16.391 1.103 ( 0.825 3.468 -7.159) 7.998 1.103 ( 0.825 3.468 7.159) 7.998 1.426 ( 2.147 3.944 -3.123) 5.470 1.426 ( 2.147 3.944 3.123) 5.470 1.682 ( -3.095 11.086 -0.951) 11.549 1.682 ( -3.095 11.086 0.951) 11.549 1.844 ( 5.403 13.842 -2.018) 14.996 1.844 ( 5.403 13.842 2.018) 14.996 1.896 ( -2.915 5.370 -1.548) 6.304 1.896 ( -2.915 5.370 1.548) 6.304 2.159 ( 0.690 5.462 -2.916) 6.230 2.159 ( 0.690 5.462 2.916) 6.230 2.363 ( -0.804 10.787 -5.894) 12.319 2.363 ( -0.804 10.787 5.894) 12.319 2.898 ( 0.893 16.767 -1.203) 16.834 2.898 ( 0.893 16.767 1.203) 16.834 2.970 ( 5.098 21.309 -3.175) 22.139 2.970 ( 5.098 21.309 3.175) 22.139 3.769 ( -0.920 14.786 -2.320) 14.995 3.769 ( -0.920 14.786 2.320) 14.995 4.643 ( -3.026 -0.584 -0.395) 3.107 4.643 ( -3.026 -0.584 0.395) 3.107 5.300 ( 2.375 -2.533 -4.871) 5.982 5.300 ( 2.375 -2.533 4.871) 5.982 5.662 ( -4.610 -4.467 -0.848) 6.475 5.662 ( -4.610 -4.467 0.848) 6.475 6.302 ( 0.455 18.347 -0.096) 18.353 6.302 ( 0.455 18.347 0.096) 18.353 6.601 ( -4.116 12.477 -4.101) 13.764 6.601 ( -4.116 12.477 4.101) 13.764 6.701 ( -2.539 12.027 -0.294) 12.296 6.701 ( -2.539 12.027 0.294) 12.296 6.773 ( -0.248 13.765 -1.263) 13.825 6.773 ( -0.248 13.765 1.263) 13.825 6.976 ( 0.587 -2.391 -1.320) 2.793 6.976 ( 0.587 -2.391 1.320) 2.793 7.304 ( -2.105 2.700 -1.388) 3.694 7.304 ( -2.105 2.700 1.388) 3.694 7.460 ( 2.287 0.358 -0.796) 2.448 7.460 ( 2.287 0.358 0.796) 2.448 7.694 ( 0.544 -1.450 -0.358) 1.590 7.694 ( 0.544 -1.450 0.358) 1.590 7.809 ( -0.609 9.136 -8.813) 12.708 7.809 ( -0.609 9.136 8.813) 12.708 8.183 ( -0.701 -1.357 -3.001) 3.368 8.183 ( -0.701 -1.357 3.001) 3.368 8.537 ( 7.298 -0.414 -3.401) 8.062 8.537 ( 7.298 -0.414 3.401) 8.062 8.950 ( -0.354 -0.323 -2.714) 2.756 8.950 ( -0.354 -0.323 2.714) 2.756 9.185 ( -0.559 -6.766 -5.421) 8.688 9.185 ( -0.559 -6.766 5.421) 8.688 9.454 ( -0.044 -5.735 -0.406) 5.750 9.454 ( -0.044 -5.735 0.406) 5.750 9.588 ( -1.345 -3.002 -1.546) 3.634 9.588 ( -1.345 -3.002 1.546) 3.634 9.670 ( -2.579 -9.044 -4.906) 10.607 9.670 ( -2.579 -9.044 4.906) 10.607 ======================= Grid point 174 (57/72) ======================= q-point: ( 0.40 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 3.141 9.869 -2.390) 10.629 0.762 ( 3.141 9.869 2.390) 10.629 1.104 ( -0.744 3.250 -3.205) 4.625 1.104 ( -0.744 3.250 3.205) 4.625 1.475 ( 2.181 2.830 -1.892) 4.043 1.475 ( 2.181 2.830 1.892) 4.043 1.592 ( -4.181 8.206 -0.464) 9.222 1.592 ( -4.181 8.206 0.464) 9.222 1.829 ( -1.667 8.490 -0.821) 8.691 1.829 ( -1.667 8.490 0.821) 8.691 1.978 ( 4.878 13.650 -2.807) 14.765 1.978 ( 4.878 13.650 2.807) 14.765 2.155 ( -1.252 9.550 -2.929) 10.067 2.155 ( -1.252 9.550 2.929) 10.067 2.345 ( -0.586 4.833 -2.345) 5.404 2.345 ( -0.586 4.833 2.345) 5.404 2.886 ( -0.683 15.195 -0.175) 15.212 2.886 ( -0.683 15.195 0.175) 15.212 3.108 ( 4.696 24.677 -1.490) 25.164 3.108 ( 4.696 24.677 1.490) 25.164 3.743 ( -1.076 13.984 -1.043) 14.064 3.743 ( -1.076 13.984 1.043) 14.064 4.582 ( -1.840 0.895 -0.320) 2.071 4.582 ( -1.840 0.895 0.320) 2.071 5.375 ( 4.034 -2.836 -2.776) 5.658 5.375 ( 4.034 -2.836 2.776) 5.658 5.543 ( -5.276 -2.778 -0.652) 5.998 5.543 ( -5.276 -2.778 0.652) 5.998 6.315 ( 0.632 19.643 -0.066) 19.653 6.315 ( 0.632 19.643 0.066) 19.653 6.485 ( -3.980 21.498 -1.377) 21.907 6.485 ( -3.980 21.498 1.377) 21.907 6.693 ( 0.453 10.899 -1.268) 10.982 6.693 ( 0.453 10.899 1.268) 10.982 6.765 ( -0.348 10.959 -0.866) 10.999 6.765 ( -0.348 10.959 0.866) 10.999 6.995 ( 0.715 -3.033 -0.857) 3.231 6.995 ( 0.715 -3.033 0.857) 3.231 7.275 ( -0.623 1.549 -0.953) 1.922 7.275 ( -0.623 1.549 0.953) 1.922 7.506 ( 1.761 0.297 -0.590) 1.880 7.506 ( 1.761 0.297 0.590) 1.880 7.656 ( -2.363 3.966 -1.104) 4.747 7.656 ( -2.363 3.966 1.104) 4.747 7.829 ( 1.133 -2.498 -2.076) 3.439 7.829 ( 1.133 -2.498 2.076) 3.439 8.172 ( -0.279 -0.161 -0.681) 0.753 8.172 ( -0.279 -0.161 0.681) 0.753 8.682 ( 4.695 -2.368 -2.144) 5.678 8.682 ( 4.695 -2.368 2.144) 5.678 8.932 ( -1.115 -0.995 -2.340) 2.777 8.932 ( -1.115 -0.995 2.340) 2.777 9.168 ( -0.703 -4.955 -2.980) 5.825 9.168 ( -0.703 -4.955 2.980) 5.825 9.448 ( -0.419 -8.255 -0.703) 8.296 9.448 ( -0.419 -8.255 0.703) 8.296 9.576 ( 0.668 -4.251 -3.335) 5.444 9.576 ( 0.668 -4.251 3.335) 5.444 9.613 ( -2.408 -5.973 -4.250) 7.716 9.613 ( -2.408 -5.973 4.250) 7.716 ======================= Grid point 180 (58/72) ======================= q-point: ( 0.00 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.000 9.559 -4.438) 10.539 1.060 ( 0.000 9.559 4.438) 10.539 1.209 ( 0.000 7.803 -1.251) 7.903 1.209 ( 0.000 7.803 1.251) 7.903 1.486 ( 0.000 5.952 -0.387) 5.964 1.486 ( 0.000 5.952 0.387) 5.964 1.836 ( 0.000 2.111 -1.875) 2.824 1.836 ( 0.000 2.111 1.875) 2.824 2.053 ( 0.000 10.399 -0.591) 10.415 2.053 ( 0.000 10.399 0.591) 10.415 2.086 ( 0.000 12.251 -2.931) 12.596 2.086 ( 0.000 12.251 2.931) 12.596 2.299 ( 0.000 11.072 -3.080) 11.492 2.299 ( 0.000 11.072 3.080) 11.492 2.625 ( 0.000 11.439 -6.248) 13.034 2.625 ( 0.000 11.439 6.248) 13.034 3.124 ( 0.000 7.611 -2.390) 7.978 3.124 ( 0.000 7.611 2.390) 7.978 3.423 ( 0.000 31.934 -2.734) 32.051 3.423 ( 0.000 31.934 2.734) 32.051 4.153 ( 0.000 22.350 -2.614) 22.503 4.153 ( 0.000 22.350 2.614) 22.503 4.633 ( 0.000 -3.432 -0.563) 3.477 4.633 ( 0.000 -3.432 0.563) 3.477 5.236 ( 0.000 -1.187 -5.265) 5.398 5.236 ( 0.000 -1.187 5.265) 5.398 5.605 ( 0.000 -5.850 -1.355) 6.005 5.605 ( 0.000 -5.850 1.355) 6.005 6.480 ( 0.000 1.848 -0.595) 1.941 6.480 ( 0.000 1.848 0.595) 1.941 6.700 ( 0.000 1.752 -4.191) 4.542 6.700 ( 0.000 1.752 4.191) 4.542 6.923 ( 0.000 5.159 -3.480) 6.223 6.923 ( 0.000 5.159 3.480) 6.223 6.960 ( 0.000 2.731 -1.154) 2.965 6.960 ( 0.000 2.731 1.154) 2.965 7.109 ( 0.000 16.964 -3.050) 17.236 7.109 ( 0.000 16.964 3.050) 17.236 7.369 ( 0.000 -0.404 -0.737) 0.841 7.369 ( 0.000 -0.404 0.737) 0.841 7.415 ( 0.000 -1.815 -2.529) 3.113 7.415 ( 0.000 -1.815 2.529) 3.113 7.633 ( 0.000 -1.724 -0.235) 1.740 7.633 ( 0.000 -1.724 0.235) 1.740 7.947 ( 0.000 -1.576 -7.204) 7.375 7.947 ( 0.000 -1.576 7.204) 7.375 8.232 ( 0.000 4.822 -12.518) 13.415 8.232 ( 0.000 4.822 12.518) 13.415 8.488 ( 0.000 3.845 -2.697) 4.696 8.488 ( 0.000 3.845 2.697) 4.696 8.918 ( 0.000 -5.503 -2.078) 5.882 8.918 ( 0.000 -5.503 2.078) 5.882 9.039 ( 0.000 -6.134 -5.461) 8.213 9.039 ( 0.000 -6.134 5.461) 8.213 9.368 ( 0.000 -4.280 -0.822) 4.358 9.368 ( 0.000 -4.280 0.822) 4.358 9.522 ( 0.000 -4.424 -2.397) 5.031 9.522 ( 0.000 -4.424 2.397) 5.031 9.608 ( 0.000 0.144 -0.305) 0.337 9.608 ( 0.000 0.144 0.305) 0.337 ======================= Grid point 182 (59/72) ======================= q-point: ( 0.20 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -2.301 12.450 -1.464) 12.745 1.032 ( -2.301 12.450 1.464) 12.745 1.185 ( -1.178 5.599 -3.521) 6.718 1.185 ( -1.178 5.599 3.521) 6.718 1.504 ( 1.454 5.345 -0.780) 5.594 1.504 ( 1.454 5.345 0.780) 5.594 1.804 ( -3.109 3.283 -0.997) 4.630 1.804 ( -3.109 3.283 0.997) 4.630 2.068 ( 0.651 11.221 -0.399) 11.247 2.068 ( 0.651 11.221 0.399) 11.247 2.131 ( 4.165 12.652 -3.153) 13.688 2.131 ( 4.165 12.652 3.153) 13.688 2.302 ( 0.466 9.596 -3.356) 10.177 2.302 ( 0.466 9.596 3.356) 10.177 2.582 ( -3.748 10.547 -4.903) 12.220 2.582 ( -3.748 10.547 4.903) 12.220 3.124 ( 0.079 8.228 -1.494) 8.363 3.124 ( 0.079 8.228 1.494) 8.363 3.492 ( 5.417 29.689 -2.217) 30.261 3.492 ( 5.417 29.689 2.217) 30.261 4.137 ( -1.387 22.205 -2.242) 22.361 4.137 ( -1.387 22.205 2.242) 22.361 4.618 ( -1.155 -1.925 -0.636) 2.333 4.618 ( -1.155 -1.925 0.636) 2.333 5.260 ( 2.216 -1.353 -4.549) 5.238 5.260 ( 2.216 -1.353 4.549) 5.238 5.569 ( -3.077 -4.806 -0.832) 5.766 5.569 ( -3.077 -4.806 0.832) 5.766 6.476 ( -0.019 0.866 -1.435) 1.676 6.476 ( -0.019 0.866 1.435) 1.676 6.726 ( 1.198 2.266 -1.954) 3.222 6.726 ( 1.198 2.266 1.954) 3.222 6.874 ( -2.476 4.862 -2.144) 5.862 6.874 ( -2.476 4.862 2.144) 5.862 6.979 ( 0.560 5.289 -2.542) 5.895 6.979 ( 0.560 5.289 2.542) 5.895 7.100 ( -0.379 16.105 -2.552) 16.311 7.100 ( -0.379 16.105 2.552) 16.311 7.335 ( -2.198 0.508 -2.435) 3.319 7.335 ( -2.198 0.508 2.435) 3.319 7.440 ( 1.501 -2.570 -1.063) 3.161 7.440 ( 1.501 -2.570 1.063) 3.161 7.616 ( -1.340 -4.716 -0.557) 4.934 7.616 ( -1.340 -4.716 0.557) 4.934 7.964 ( 1.251 3.021 -6.664) 7.423 7.964 ( 1.251 3.021 6.664) 7.423 8.193 ( -2.555 4.112 -8.925) 10.153 8.193 ( -2.555 4.112 8.925) 10.153 8.550 ( 4.624 1.515 -1.313) 5.040 8.550 ( 4.624 1.515 1.313) 5.040 8.915 ( -0.386 -4.924 -1.615) 5.196 8.915 ( -0.386 -4.924 1.615) 5.196 9.049 ( 0.940 -5.814 -4.778) 7.584 9.049 ( 0.940 -5.814 4.778) 7.584 9.341 ( -2.497 -5.284 -1.337) 5.996 9.341 ( -2.497 -5.284 1.337) 5.996 9.506 ( -1.083 -3.409 -1.718) 3.968 9.506 ( -1.083 -3.409 1.718) 3.968 9.595 ( -1.104 0.055 -1.033) 1.513 9.595 ( -1.104 0.055 1.033) 1.513 ======================= Grid point 184 (60/72) ======================= q-point: ( 0.40 0.21 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.502 12.658 -0.566) 12.681 0.997 ( -0.502 12.658 0.566) 12.681 1.171 ( -0.263 3.760 -2.110) 4.320 1.171 ( -0.263 3.760 2.110) 4.320 1.543 ( 1.771 4.868 -0.320) 5.190 1.543 ( 1.771 4.868 0.320) 5.190 1.716 ( -3.777 6.036 -0.466) 7.135 1.716 ( -3.777 6.036 0.466) 7.135 2.078 ( 0.263 14.050 -0.232) 14.055 2.078 ( 0.263 14.050 0.232) 14.055 2.219 ( 2.514 10.524 -2.013) 11.006 2.219 ( 2.514 10.524 2.013) 11.006 2.339 ( 3.327 9.349 -3.839) 10.640 2.339 ( 3.327 9.349 3.839) 10.640 2.479 ( -5.017 8.241 -2.439) 9.951 2.479 ( -5.017 8.241 2.439) 9.951 3.128 ( 0.171 9.548 -0.292) 9.554 3.128 ( 0.171 9.548 0.292) 9.554 3.600 ( 3.231 25.419 -0.742) 25.635 3.600 ( 3.231 25.419 0.742) 25.635 4.106 ( -0.999 22.688 -1.068) 22.735 4.106 ( -0.999 22.688 1.068) 22.735 4.594 ( -0.789 0.307 -0.399) 0.936 4.594 ( -0.789 0.307 0.399) 0.936 5.323 ( 2.871 -2.342 -2.332) 4.378 5.323 ( 2.871 -2.342 2.332) 4.378 5.491 ( -3.322 -2.463 -0.406) 4.155 5.491 ( -3.322 -2.463 0.406) 4.155 6.486 ( 0.664 -0.863 -1.190) 1.613 6.486 ( 0.664 -0.863 1.190) 1.613 6.702 ( -2.130 4.260 -0.363) 4.777 6.702 ( -2.130 4.260 0.363) 4.777 6.878 ( 1.881 6.185 -2.483) 6.925 6.878 ( 1.881 6.185 2.483) 6.925 6.966 ( -1.399 7.297 -2.682) 7.899 6.966 ( -1.399 7.297 2.682) 7.899 7.109 ( 0.907 14.904 -0.777) 14.952 7.109 ( 0.907 14.904 0.777) 14.952 7.290 ( -1.539 0.048 -1.209) 1.958 7.290 ( -1.539 0.048 1.209) 1.958 7.467 ( 0.797 -4.023 -0.320) 4.114 7.467 ( 0.797 -4.023 0.320) 4.114 7.587 ( -0.950 -7.623 -0.316) 7.688 7.587 ( -0.950 -7.623 0.316) 7.688 7.987 ( 0.629 12.906 -3.086) 13.284 7.987 ( 0.629 12.906 3.086) 13.284 8.151 ( -1.063 -1.473 -3.321) 3.785 8.151 ( -1.063 -1.473 3.321) 3.785 8.641 ( 2.797 -1.829 -0.472) 3.375 8.641 ( 2.797 -1.829 0.472) 3.375 8.902 ( -0.561 -3.282 -0.601) 3.383 8.902 ( -0.561 -3.282 0.601) 3.383 9.075 ( 1.086 -4.195 -2.402) 4.955 9.075 ( 1.086 -4.195 2.402) 4.955 9.278 ( -2.401 -7.125 -1.398) 7.648 9.278 ( -2.401 -7.125 1.398) 7.648 9.490 ( -0.302 -2.674 -0.703) 2.781 9.490 ( -0.302 -2.674 0.703) 2.781 9.571 ( -0.776 0.004 -0.519) 0.933 9.571 ( -0.776 0.004 0.519) 0.933 ======================= Grid point 190 (61/72) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 0.000 6.345 -4.352) 7.694 1.199 ( 0.000 6.345 4.352) 7.694 1.355 ( 0.000 6.636 -1.527) 6.810 1.355 ( 0.000 6.636 1.527) 6.810 1.636 ( 0.000 8.565 -0.828) 8.605 1.636 ( 0.000 8.565 0.828) 8.605 1.872 ( 0.000 2.572 -0.977) 2.752 1.872 ( 0.000 2.572 0.977) 2.752 2.236 ( 0.000 7.102 -1.499) 7.258 2.236 ( 0.000 7.102 1.499) 7.258 2.285 ( 0.000 9.217 -1.419) 9.326 2.285 ( 0.000 9.217 1.419) 9.326 2.508 ( 0.000 9.100 -2.132) 9.346 2.508 ( 0.000 9.100 2.132) 9.346 2.768 ( 0.000 2.451 -4.112) 4.787 2.768 ( 0.000 2.451 4.112) 4.787 3.252 ( 0.000 6.760 -2.069) 7.069 3.252 ( 0.000 6.760 2.069) 7.069 4.002 ( 0.000 23.283 -0.430) 23.287 4.002 ( 0.000 23.283 0.430) 23.287 4.575 ( 0.000 7.697 -0.444) 7.710 4.575 ( 0.000 7.697 0.444) 7.710 4.600 ( 0.000 15.694 -1.093) 15.732 4.600 ( 0.000 15.694 1.093) 15.732 5.233 ( 0.000 1.021 -4.225) 4.347 5.233 ( 0.000 1.021 4.225) 4.347 5.500 ( 0.000 -4.649 -0.894) 4.734 5.500 ( 0.000 -4.649 0.894) 4.734 6.453 ( 0.000 -3.076 -2.329) 3.858 6.453 ( 0.000 -3.076 2.329) 3.858 6.697 ( 0.000 -1.635 -4.069) 4.385 6.697 ( 0.000 -1.635 4.069) 4.385 6.932 ( 0.000 0.325 -2.334) 2.356 6.932 ( 0.000 0.325 2.334) 2.356 7.094 ( 0.000 5.941 -4.480) 7.440 7.094 ( 0.000 5.941 4.480) 7.440 7.296 ( 0.000 -4.539 -0.512) 4.568 7.296 ( 0.000 -4.539 0.512) 4.568 7.347 ( 0.000 -1.028 -2.010) 2.257 7.347 ( 0.000 -1.028 2.010) 2.257 7.403 ( 0.000 6.651 -1.812) 6.893 7.403 ( 0.000 6.651 1.812) 6.893 7.618 ( 0.000 0.347 -2.146) 2.174 7.618 ( 0.000 0.347 2.146) 2.174 7.910 ( 0.000 -0.296 -3.193) 3.207 7.910 ( 0.000 -0.296 3.193) 3.207 8.295 ( 0.000 1.093 -7.489) 7.569 8.295 ( 0.000 1.093 7.489) 7.569 8.561 ( 0.000 2.621 -1.522) 3.031 8.561 ( 0.000 2.621 1.522) 3.031 8.752 ( 0.000 -9.670 -4.542) 10.683 8.752 ( 0.000 -9.670 4.542) 10.683 8.969 ( 0.000 -1.725 -3.141) 3.584 8.969 ( 0.000 -1.725 3.141) 3.584 9.290 ( 0.000 -3.579 -1.689) 3.958 9.290 ( 0.000 -3.579 1.689) 3.958 9.511 ( 0.000 2.754 -0.227) 2.763 9.511 ( 0.000 2.754 0.227) 2.763 9.634 ( 0.000 1.882 -0.698) 2.008 9.634 ( 0.000 1.882 0.698) 2.008 ======================= Grid point 192 (62/72) ======================= q-point: ( 0.20 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.352 6.713 -3.287) 7.482 1.203 ( 0.352 6.713 3.287) 7.482 1.319 ( -2.874 7.358 -0.993) 7.961 1.319 ( -2.874 7.358 0.993) 7.961 1.638 ( 0.359 7.692 -1.027) 7.768 1.638 ( 0.359 7.692 1.027) 7.768 1.865 ( -0.727 3.700 -0.777) 3.850 1.865 ( -0.727 3.700 0.777) 3.850 2.267 ( 2.118 7.821 -1.374) 8.218 2.267 ( 2.118 7.821 1.374) 8.218 2.314 ( 2.968 7.872 -0.714) 8.443 2.314 ( 2.968 7.872 0.714) 8.443 2.495 ( -0.900 8.724 -2.076) 9.013 2.495 ( -0.900 8.724 2.076) 9.013 2.729 ( -3.566 3.865 -3.500) 6.317 2.729 ( -3.566 3.865 3.500) 6.317 3.254 ( 0.296 6.107 -1.506) 6.297 3.254 ( 0.296 6.107 1.506) 6.297 4.015 ( 0.845 20.183 -0.138) 20.202 4.015 ( 0.845 20.183 0.138) 20.202 4.563 ( -0.418 15.909 -1.295) 15.967 4.563 ( -0.418 15.909 1.295) 15.967 4.617 ( 0.788 9.439 -0.150) 9.473 4.617 ( 0.788 9.439 0.150) 9.473 5.252 ( 1.607 0.605 -3.688) 4.068 5.252 ( 1.607 0.605 3.688) 4.068 5.486 ( -1.247 -3.512 -0.614) 3.777 5.486 ( -1.247 -3.512 0.614) 3.777 6.435 ( -1.374 -3.536 -2.560) 4.576 6.435 ( -1.374 -3.536 2.560) 4.576 6.706 ( 0.327 -3.261 -2.920) 4.389 6.706 ( 0.327 -3.261 2.920) 4.389 6.930 ( 0.390 2.184 -2.926) 3.672 6.930 ( 0.390 2.184 2.926) 3.672 7.099 ( 0.093 5.390 -4.704) 7.155 7.099 ( 0.093 5.390 4.704) 7.155 7.282 ( -1.021 -2.230 -1.454) 2.851 7.282 ( -1.021 -2.230 1.454) 2.851 7.353 ( 0.329 -3.069 -1.575) 3.465 7.353 ( 0.329 -3.069 1.575) 3.465 7.390 ( -0.569 5.660 -2.275) 6.127 7.390 ( -0.569 5.660 2.275) 6.127 7.569 ( -3.696 1.310 -1.946) 4.377 7.569 ( -3.696 1.310 1.946) 4.377 7.961 ( 3.906 -1.067 -4.354) 5.946 7.961 ( 3.906 -1.067 4.354) 5.946 8.284 ( -1.212 3.247 -7.259) 8.044 8.284 ( -1.212 3.247 7.259) 8.044 8.579 ( 1.367 0.653 -0.998) 1.814 8.579 ( 1.367 0.653 0.998) 1.814 8.758 ( 0.769 -9.347 -2.976) 9.840 8.758 ( 0.769 -9.347 2.976) 9.840 8.985 ( 1.325 -1.466 -3.744) 4.234 8.985 ( 1.325 -1.466 3.744) 4.234 9.261 ( -2.539 -3.266 -4.124) 5.841 9.261 ( -2.539 -3.266 4.124) 5.841 9.505 ( -0.441 3.052 -0.219) 3.092 9.505 ( -0.441 3.052 0.219) 3.092 9.622 ( -1.013 2.190 -0.327) 2.435 9.622 ( -1.013 2.190 0.327) 2.435 ======================= Grid point 194 (63/72) ======================= q-point: ( 0.40 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.505 9.013 -0.945) 9.077 1.213 ( 0.505 9.013 0.945) 9.077 1.259 ( -1.983 6.103 -0.429) 6.432 1.259 ( -1.983 6.103 0.429) 6.432 1.651 ( 0.545 5.624 -0.704) 5.694 1.651 ( 0.545 5.624 0.704) 5.694 1.842 ( -1.004 6.833 -0.458) 6.922 1.842 ( -1.004 6.833 0.458) 6.922 2.309 ( 1.472 9.121 -1.215) 9.319 2.309 ( 1.472 9.121 1.215) 9.319 2.375 ( 1.112 5.656 -1.210) 5.890 2.375 ( 1.112 5.656 1.210) 5.890 2.510 ( 3.522 7.742 -2.060) 8.751 2.510 ( 3.522 7.742 2.060) 8.751 2.623 ( -5.734 5.992 -2.408) 8.636 2.623 ( -5.734 5.992 2.408) 8.636 3.265 ( 0.488 5.233 -0.472) 5.277 3.265 ( 0.488 5.233 0.472) 5.277 4.027 ( 0.184 15.686 -0.157) 15.687 4.027 ( 0.184 15.686 0.157) 15.687 4.564 ( 0.322 22.535 -0.905) 22.555 4.564 ( 0.322 22.535 0.905) 22.555 4.624 ( -0.033 5.725 -0.254) 5.731 4.624 ( -0.033 5.725 0.254) 5.731 5.290 ( 1.401 -0.833 -1.743) 2.387 5.290 ( 1.401 -0.833 1.743) 2.387 5.456 ( -1.147 -0.982 -0.387) 1.558 5.456 ( -1.147 -0.982 0.387) 1.558 6.409 ( -0.704 -4.941 -1.338) 5.167 6.409 ( -0.704 -4.941 1.338) 5.167 6.700 ( -0.525 -3.744 -1.012) 3.913 6.700 ( -0.525 -3.744 1.012) 3.913 6.960 ( 1.771 3.391 -2.472) 4.555 6.960 ( 1.771 3.391 2.472) 4.555 7.085 ( -1.213 4.883 -2.970) 5.843 7.085 ( -1.213 4.883 2.970) 5.843 7.263 ( -0.421 -1.656 -1.158) 2.064 7.263 ( -0.421 -1.656 1.158) 2.064 7.353 ( -0.388 -3.368 -0.261) 3.400 7.353 ( -0.388 -3.368 0.261) 3.400 7.407 ( 2.248 6.017 -2.462) 6.879 7.407 ( 2.248 6.017 2.462) 6.879 7.484 ( -3.700 0.843 -2.193) 4.383 7.484 ( -3.700 0.843 2.193) 4.383 8.045 ( 2.973 -3.651 -3.677) 5.974 8.045 ( 2.973 -3.651 3.677) 5.974 8.244 ( -1.866 7.419 -4.613) 8.933 8.244 ( -1.866 7.419 4.613) 8.933 8.606 ( 0.803 -2.157 -0.347) 2.327 8.606 ( 0.803 -2.157 0.347) 2.327 8.779 ( 0.770 -8.287 -1.073) 8.392 8.779 ( 0.770 -8.287 1.073) 8.392 9.022 ( 1.740 -1.309 -4.621) 5.108 9.022 ( 1.740 -1.309 4.621) 5.108 9.196 ( -2.621 -2.558 -4.346) 5.683 9.196 ( -2.621 -2.558 4.346) 5.683 9.498 ( -0.127 3.519 -0.090) 3.522 9.498 ( -0.127 3.519 0.090) 3.522 9.600 ( -0.764 2.621 -0.090) 2.732 9.600 ( -0.764 2.621 0.090) 2.732 ======================= Grid point 200 (64/72) ======================= q-point: ( 0.00 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( 0.000 6.464 -2.738) 7.020 1.324 ( 0.000 6.464 2.738) 7.020 1.472 ( 0.000 5.487 -0.677) 5.529 1.472 ( 0.000 5.487 0.677) 5.529 1.783 ( 0.000 6.542 -0.836) 6.595 1.783 ( 0.000 6.542 0.836) 6.595 1.946 ( 0.000 4.755 -0.748) 4.814 1.946 ( 0.000 4.755 0.748) 4.814 2.304 ( 0.000 0.429 -0.144) 0.453 2.304 ( 0.000 0.429 0.144) 0.453 2.453 ( 0.000 7.549 -1.614) 7.719 2.453 ( 0.000 7.549 1.614) 7.719 2.612 ( 0.000 -0.219 -1.683) 1.697 2.612 ( 0.000 -0.219 1.683) 1.697 2.739 ( 0.000 -2.712 -1.856) 3.286 2.739 ( 0.000 -2.712 1.856) 3.286 3.401 ( 0.000 8.462 -1.591) 8.610 3.401 ( 0.000 8.462 1.591) 8.610 4.136 ( 0.000 -5.609 -1.971) 5.945 4.136 ( 0.000 -5.609 1.971) 5.945 4.822 ( 0.000 18.273 -0.706) 18.287 4.822 ( 0.000 18.273 0.706) 18.287 4.960 ( 0.000 14.861 -0.593) 14.873 4.960 ( 0.000 14.861 0.593) 14.873 5.282 ( 0.000 4.471 -2.664) 5.205 5.282 ( 0.000 4.471 2.664) 5.205 5.443 ( 0.000 -0.708 -0.288) 0.764 5.443 ( 0.000 -0.708 0.288) 0.764 6.395 ( 0.000 -2.499 -2.867) 3.803 6.395 ( 0.000 -2.499 2.867) 3.803 6.654 ( 0.000 -2.464 -3.501) 4.281 6.654 ( 0.000 -2.464 3.501) 4.281 6.953 ( 0.000 1.724 -2.065) 2.690 6.953 ( 0.000 1.724 2.065) 2.690 7.130 ( 0.000 -3.876 -2.569) 4.650 7.130 ( 0.000 -3.876 2.569) 4.650 7.201 ( 0.000 -1.788 -0.715) 1.925 7.201 ( 0.000 -1.788 0.715) 1.925 7.289 ( 0.000 -3.134 -0.101) 3.136 7.289 ( 0.000 -3.134 0.101) 3.136 7.517 ( 0.000 3.305 -0.347) 3.323 7.517 ( 0.000 3.305 0.347) 3.323 7.648 ( 0.000 2.662 -3.233) 4.188 7.648 ( 0.000 2.662 3.233) 4.188 7.953 ( 0.000 4.355 -0.545) 4.389 7.953 ( 0.000 4.355 0.545) 4.389 8.285 ( 0.000 -1.805 -2.872) 3.392 8.285 ( 0.000 -1.805 2.872) 3.392 8.562 ( 0.000 -2.043 -0.035) 2.043 8.562 ( 0.000 -2.043 0.035) 2.043 8.585 ( 0.000 -7.069 -3.172) 7.748 8.585 ( 0.000 -7.069 3.172) 7.748 8.973 ( 0.000 1.827 -1.388) 2.295 8.973 ( 0.000 1.827 1.388) 2.295 9.235 ( 0.000 -2.000 -1.729) 2.643 9.235 ( 0.000 -2.000 1.729) 2.643 9.585 ( 0.000 3.544 -1.171) 3.732 9.585 ( 0.000 3.544 1.171) 3.732 9.667 ( 0.000 1.443 -1.350) 1.976 9.667 ( 0.000 1.443 1.350) 1.976 ======================= Grid point 202 (65/72) ======================= q-point: ( 0.20 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 0.379 6.269 -2.384) 6.718 1.327 ( 0.379 6.269 2.384) 6.718 1.452 ( -1.748 6.115 -0.579) 6.386 1.452 ( -1.748 6.115 0.579) 6.386 1.772 ( -0.933 6.129 -1.399) 6.355 1.772 ( -0.933 6.129 1.399) 6.355 1.953 ( 0.604 4.926 -1.155) 5.096 1.953 ( 0.604 4.926 1.155) 5.096 2.333 ( 2.383 -0.132 -0.629) 2.468 2.333 ( 2.383 -0.132 0.629) 2.468 2.463 ( 0.525 6.091 -0.930) 6.184 2.463 ( 0.525 6.091 0.930) 6.184 2.596 ( -0.586 0.877 -0.836) 1.346 2.596 ( -0.586 0.877 0.836) 1.346 2.740 ( -0.382 -0.922 -1.894) 2.141 2.740 ( -0.382 -0.922 1.894) 2.141 3.385 ( -1.228 7.703 -1.308) 7.909 3.385 ( -1.228 7.703 1.308) 7.909 4.130 ( -0.556 -5.183 -1.442) 5.408 4.130 ( -0.556 -5.183 1.442) 5.408 4.826 ( 0.310 16.681 -0.555) 16.693 4.826 ( 0.310 16.681 0.555) 16.693 4.961 ( 0.054 15.262 -0.510) 15.270 4.961 ( 0.054 15.262 0.510) 15.270 5.291 ( 0.662 3.865 -2.381) 4.587 5.291 ( 0.662 3.865 2.381) 4.587 5.449 ( 0.526 0.199 -0.778) 0.960 5.449 ( 0.526 0.199 0.778) 0.960 6.375 ( -1.752 -2.237 -2.632) 3.873 6.375 ( -1.752 -2.237 2.632) 3.873 6.629 ( -1.835 -4.281 -3.433) 5.786 6.629 ( -1.835 -4.281 3.433) 5.786 6.973 ( 1.769 2.283 -2.529) 3.839 6.973 ( 1.769 2.283 2.529) 3.839 7.139 ( 0.623 -2.786 -2.499) 3.794 7.139 ( 0.623 -2.786 2.499) 3.794 7.204 ( 0.117 -2.311 -1.735) 2.892 7.204 ( 0.117 -2.311 1.735) 2.892 7.278 ( -1.084 -3.128 -0.538) 3.354 7.278 ( -1.084 -3.128 0.538) 3.354 7.480 ( -2.274 3.039 -0.954) 3.914 7.480 ( -2.274 3.039 0.954) 3.914 7.650 ( -0.393 4.561 -2.883) 5.410 7.650 ( -0.393 4.561 2.883) 5.410 7.968 ( 1.214 2.388 -1.422) 3.033 7.968 ( 1.214 2.388 1.422) 3.033 8.306 ( 1.473 -0.776 -3.045) 3.470 8.306 ( 1.473 -0.776 3.045) 3.470 8.552 ( -0.572 -3.411 -1.654) 3.834 8.552 ( -0.572 -3.411 1.654) 3.834 8.605 ( 1.525 -5.687 -0.436) 5.904 8.605 ( 1.525 -5.687 0.436) 5.904 8.986 ( 1.104 1.334 -2.156) 2.766 8.986 ( 1.104 1.334 2.156) 2.766 9.210 ( -2.250 -1.950 -3.601) 4.673 9.210 ( -2.250 -1.950 3.601) 4.673 9.586 ( 0.115 4.016 -1.051) 4.153 9.586 ( 0.115 4.016 1.051) 4.153 9.662 ( -0.435 1.696 -1.125) 2.081 9.662 ( -0.435 1.696 1.125) 2.081 ======================= Grid point 204 (66/72) ======================= q-point: ( 0.40 0.36 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 0.666 5.662 -1.229) 5.832 1.340 ( 0.666 5.662 1.229) 5.832 1.410 ( -1.558 7.504 -0.447) 7.677 1.410 ( -1.558 7.504 0.447) 7.677 1.751 ( -0.686 5.128 -0.710) 5.222 1.751 ( -0.686 5.128 0.710) 5.222 1.966 ( 0.449 5.499 -0.524) 5.542 1.966 ( 0.449 5.499 0.524) 5.542 2.391 ( 2.656 -0.824 -1.223) 3.037 2.391 ( 2.656 -0.824 1.223) 3.037 2.450 ( -1.770 2.120 -0.930) 2.914 2.450 ( -1.770 2.120 0.930) 2.914 2.624 ( 3.090 3.526 -1.223) 4.845 2.624 ( 3.090 3.526 1.223) 4.845 2.705 ( -2.865 2.903 -1.893) 4.497 2.705 ( -2.865 2.903 1.893) 4.497 3.363 ( -0.575 5.897 -0.521) 5.947 3.363 ( -0.575 5.897 0.521) 5.947 4.118 ( -0.384 -4.408 -0.450) 4.447 4.118 ( -0.384 -4.408 0.450) 4.447 4.832 ( 0.189 14.554 -0.211) 14.557 4.832 ( 0.189 14.554 0.211) 14.557 4.962 ( 0.029 15.718 -0.207) 15.719 4.962 ( 0.029 15.718 0.207) 15.719 5.303 ( 0.337 2.734 -1.034) 2.943 5.303 ( 0.337 2.734 1.034) 2.943 5.460 ( 0.364 1.726 -0.483) 1.829 5.460 ( 0.364 1.726 0.483) 1.829 6.335 ( -1.315 -2.290 -1.235) 2.915 6.335 ( -1.315 -2.290 1.235) 2.915 6.595 ( -0.901 -6.193 -1.610) 6.462 6.595 ( -0.901 -6.193 1.610) 6.462 7.021 ( 2.155 2.898 -2.238) 4.249 7.021 ( 2.155 2.898 2.238) 4.249 7.141 ( -0.757 0.386 -2.733) 2.862 7.141 ( -0.757 0.386 2.733) 2.862 7.200 ( -0.243 -3.721 -1.089) 3.884 7.200 ( -0.243 -3.721 1.089) 3.884 7.255 ( -0.610 -4.189 -0.383) 4.251 7.255 ( -0.610 -4.189 0.383) 4.251 7.452 ( -0.336 2.732 -0.916) 2.901 7.452 ( -0.336 2.732 0.916) 2.901 7.630 ( -0.888 6.815 -1.409) 7.016 7.630 ( -0.888 6.815 1.409) 7.016 7.992 ( 0.734 -0.587 -1.184) 1.512 7.992 ( 0.734 -0.587 1.184) 1.512 8.329 ( 0.456 1.444 -1.713) 2.286 8.329 ( 0.456 1.444 1.713) 2.286 8.551 ( 0.370 -3.252 -0.846) 3.380 8.551 ( 0.370 -3.252 0.846) 3.380 8.633 ( 0.740 -6.148 -0.744) 6.237 8.633 ( 0.740 -6.148 0.744) 6.237 9.018 ( 1.585 0.777 -3.798) 4.188 9.018 ( 1.585 0.777 3.798) 4.188 9.151 ( -2.439 -2.004 -3.908) 5.023 9.151 ( -2.439 -2.004 3.908) 5.023 9.589 ( 0.180 4.693 -0.457) 4.719 9.589 ( 0.180 4.693 0.457) 4.719 9.651 ( -0.369 2.222 -0.486) 2.304 9.651 ( -0.369 2.222 0.486) 2.304 ======================= Grid point 210 (67/72) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.000 5.180 -1.402) 5.366 1.440 ( 0.000 5.180 1.402) 5.366 1.554 ( 0.000 2.521 -0.330) 2.543 1.554 ( 0.000 2.521 0.330) 2.543 1.897 ( 0.000 5.148 -0.388) 5.163 1.897 ( 0.000 5.148 0.388) 5.163 2.037 ( 0.000 4.395 -0.149) 4.397 2.037 ( 0.000 4.395 0.149) 4.397 2.278 ( 0.000 -2.058 -0.766) 2.196 2.278 ( 0.000 -2.058 0.766) 2.196 2.486 ( 0.000 -9.214 -0.993) 9.268 2.486 ( 0.000 -9.214 0.993) 9.268 2.561 ( 0.000 3.450 -1.238) 3.665 2.561 ( 0.000 3.450 1.238) 3.665 2.737 ( 0.000 0.739 -0.660) 0.990 2.737 ( 0.000 0.739 0.660) 0.990 3.571 ( 0.000 9.006 -0.754) 9.038 3.571 ( 0.000 9.006 0.754) 9.038 3.971 ( 0.000 -9.753 -1.160) 9.822 3.971 ( 0.000 -9.753 1.160) 9.822 5.072 ( 0.000 6.651 -0.402) 6.663 5.072 ( 0.000 6.651 0.402) 6.663 5.138 ( 0.000 4.098 -0.381) 4.116 5.138 ( 0.000 4.098 0.381) 4.116 5.413 ( 0.000 7.749 -0.698) 7.781 5.413 ( 0.000 7.749 0.698) 7.781 5.485 ( 0.000 4.133 -0.097) 4.134 5.485 ( 0.000 4.133 0.097) 4.134 6.363 ( 0.000 -0.823 -2.246) 2.392 6.363 ( 0.000 -0.823 2.246) 2.392 6.612 ( 0.000 -1.667 -2.452) 2.965 6.612 ( 0.000 -1.667 2.452) 2.965 6.989 ( 0.000 1.586 -2.198) 2.710 6.989 ( 0.000 1.586 2.198) 2.710 7.043 ( 0.000 -3.443 -1.143) 3.628 7.043 ( 0.000 -3.443 1.143) 3.628 7.160 ( 0.000 -2.640 -0.574) 2.702 7.160 ( 0.000 -2.640 0.574) 2.702 7.261 ( 0.000 -0.207 -1.831) 1.842 7.261 ( 0.000 -0.207 1.831) 1.842 7.543 ( 0.000 0.126 -0.209) 0.244 7.543 ( 0.000 0.126 0.209) 0.244 7.699 ( 0.000 2.069 -1.956) 2.847 7.699 ( 0.000 2.069 1.956) 2.847 8.057 ( 0.000 5.814 -0.921) 5.887 8.057 ( 0.000 5.814 0.921) 5.887 8.234 ( 0.000 -3.319 -0.608) 3.375 8.234 ( 0.000 -3.319 0.608) 3.375 8.486 ( 0.000 -3.243 -1.218) 3.464 8.486 ( 0.000 -3.243 1.218) 3.464 8.514 ( 0.000 -2.318 -0.279) 2.334 8.514 ( 0.000 -2.318 0.279) 2.334 9.018 ( 0.000 2.214 -0.283) 2.232 9.018 ( 0.000 2.214 0.283) 2.232 9.213 ( 0.000 -0.479 -1.016) 1.123 9.213 ( 0.000 -0.479 1.016) 1.123 9.619 ( 0.000 0.326 -0.371) 0.493 9.619 ( 0.000 0.326 0.371) 0.493 9.693 ( 0.000 1.075 -0.565) 1.214 9.693 ( 0.000 1.075 0.565) 1.214 ======================= Grid point 212 (68/72) ======================= q-point: ( 0.20 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 0.021 4.980 -1.264) 5.138 1.440 ( 0.021 4.980 1.264) 5.138 1.539 ( -1.229 2.591 -0.442) 2.902 1.539 ( -1.229 2.591 0.442) 2.902 1.887 ( -0.912 5.724 -1.445) 5.974 1.887 ( -0.912 5.724 1.445) 5.974 2.035 ( -0.122 3.203 -1.706) 3.631 2.035 ( -0.122 3.203 1.706) 3.631 2.299 ( 1.775 -2.190 -1.025) 2.999 2.299 ( 1.775 -2.190 1.025) 2.999 2.461 ( -1.635 -6.557 -0.792) 6.804 2.461 ( -1.635 -6.557 0.792) 6.804 2.600 ( 2.775 2.023 -1.482) 3.741 2.600 ( 2.775 2.023 1.482) 3.741 2.740 ( 0.193 0.202 -0.517) 0.588 2.740 ( 0.193 0.202 0.517) 0.588 3.552 ( -1.581 9.519 -0.662) 9.672 3.552 ( -1.581 9.519 0.662) 9.672 3.966 ( -0.332 -10.076 -0.742) 10.109 3.966 ( -0.332 -10.076 0.742) 10.109 5.063 ( -0.587 6.997 -0.277) 7.027 5.063 ( -0.587 6.997 0.277) 7.027 5.141 ( 0.183 3.812 -0.400) 3.838 5.141 ( 0.183 3.812 0.400) 3.838 5.412 ( -0.108 7.631 -0.959) 7.692 5.412 ( -0.108 7.631 0.959) 7.692 5.498 ( 1.030 3.765 -0.915) 4.009 5.498 ( 1.030 3.765 0.915) 4.009 6.352 ( -1.028 -0.248 -2.116) 2.365 6.352 ( -1.028 -0.248 2.116) 2.365 6.555 ( -4.117 -3.012 -2.862) 5.849 6.555 ( -4.117 -3.012 2.862) 5.849 7.013 ( 1.949 1.470 -2.752) 3.679 7.013 ( 1.949 1.470 2.752) 3.679 7.064 ( 1.698 -2.936 -1.726) 3.806 7.064 ( 1.698 -2.936 1.726) 3.806 7.163 ( 0.163 -2.212 -1.131) 2.490 7.163 ( 0.163 -2.212 1.131) 2.490 7.246 ( -1.461 -0.722 -1.621) 2.298 7.246 ( -1.461 -0.722 1.621) 2.298 7.530 ( -0.743 2.087 -1.503) 2.677 7.530 ( -0.743 2.087 1.503) 2.677 7.699 ( -0.326 0.707 -2.721) 2.831 7.699 ( -0.326 0.707 2.721) 2.831 8.054 ( -0.219 5.942 -0.754) 5.993 8.054 ( -0.219 5.942 0.754) 5.993 8.261 ( 2.128 -3.651 -0.882) 4.317 8.261 ( 2.128 -3.651 0.882) 4.317 8.486 ( 0.288 -2.398 -0.948) 2.594 8.486 ( 0.288 -2.398 0.948) 2.594 8.531 ( 1.187 -2.569 -0.638) 2.901 8.531 ( 1.187 -2.569 0.638) 2.901 9.020 ( 0.374 1.783 -1.199) 2.181 9.020 ( 0.374 1.783 1.199) 2.181 9.187 ( -2.260 -0.475 -1.972) 3.036 9.187 ( -2.260 -0.475 1.972) 3.036 9.630 ( 0.875 0.671 -0.476) 1.201 9.630 ( 0.875 0.671 0.476) 1.201 9.690 ( -0.333 1.096 -0.670) 1.327 9.690 ( -0.333 1.096 0.670) 1.327 ======================= Grid point 214 (69/72) ======================= q-point: ( 0.40 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 106 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 0.217 4.658 -0.656) 4.709 1.443 ( 0.217 4.658 0.656) 4.709 1.511 ( -1.012 2.615 -0.343) 2.825 1.511 ( -1.012 2.615 0.343) 2.825 1.865 ( -0.756 6.656 -0.811) 6.748 1.865 ( -0.756 6.656 0.811) 6.748 2.034 ( -0.036 0.975 -0.905) 1.331 2.034 ( -0.036 0.975 0.905) 1.331 2.343 ( 1.825 -2.470 -0.803) 3.174 2.343 ( 1.825 -2.470 0.803) 3.174 2.427 ( -1.344 -4.102 -0.638) 4.363 2.427 ( -1.344 -4.102 0.638) 4.363 2.659 ( 2.087 1.341 -0.828) 2.615 2.659 ( 2.087 1.341 0.828) 2.615 2.738 ( -0.372 0.066 -0.357) 0.519 2.738 ( -0.371 0.066 0.357) 0.519 3.518 ( -1.113 10.166 -0.289) 10.231 3.518 ( -1.113 10.166 0.289) 10.231 3.960 ( -0.180 -10.497 -0.158) 10.500 3.960 ( -0.180 -10.497 0.158) 10.500 5.054 ( -0.204 7.387 -0.106) 7.390 5.054 ( -0.204 7.387 0.106) 7.390 5.143 ( 0.043 3.505 -0.176) 3.510 5.143 ( 0.043 3.505 0.176) 3.510 5.410 ( -0.084 7.501 -0.364) 7.510 5.410 ( -0.084 7.501 0.364) 7.510 5.518 ( 0.603 3.168 -0.400) 3.250 5.518 ( 0.603 3.168 0.400) 3.250 6.326 ( -1.008 1.172 -1.297) 2.018 6.326 ( -1.008 1.172 1.297) 2.018 6.482 ( -1.932 -5.264 -1.736) 5.870 6.482 ( -1.932 -5.264 1.736) 5.870 7.063 ( 2.194 0.996 -2.213) 3.272 7.063 ( 2.194 0.996 2.213) 3.272 7.102 ( 1.494 -2.460 -1.296) 3.157 7.102 ( 1.494 -2.460 1.296) 3.157 7.154 ( -1.075 -1.148 -1.897) 2.464 7.154 ( -1.075 -1.148 1.897) 2.464 7.206 ( -1.615 -1.428 -0.629) 2.246 7.206 ( -1.615 -1.428 0.629) 2.246 7.525 ( 0.175 4.366 -1.122) 4.511 7.525 ( 0.175 4.366 1.122) 4.511 7.684 ( -0.707 -0.891 -1.681) 2.029 7.684 ( -0.707 -0.891 1.681) 2.029 8.050 ( -0.138 6.078 -0.371) 6.091 8.050 ( -0.138 6.078 0.371) 6.091 8.302 ( 1.140 -4.143 -0.574) 4.335 8.302 ( 1.140 -4.143 0.574) 4.335 8.503 ( 1.040 -1.264 -0.498) 1.711 8.503 ( 1.040 -1.264 0.498) 1.711 8.548 ( 0.134 -2.825 -0.701) 2.914 8.548 ( 0.134 -2.825 0.701) 2.914 9.043 ( 1.698 1.387 -2.444) 3.284 9.043 ( 1.698 1.387 2.444) 3.284 9.125 ( -2.929 -0.691 -2.568) 3.956 9.125 ( -2.929 -0.691 2.568) 3.956 9.651 ( 0.898 1.538 -0.510) 1.852 9.651 ( 0.898 1.538 0.510) 1.852 9.679 ( -0.547 0.823 -0.618) 1.166 9.679 ( -0.547 0.823 0.618) 1.166 ======================= Grid point 220 (70/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.572 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 -0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 -0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 -0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 -0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.743 ( 0.000 0.000 -0.000) 0.000 2.743 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.713 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 -0.000 -0.000) 0.000 3.820 ( 0.000 -0.000 0.000) 0.000 5.126 ( 0.000 0.000 -0.000) 0.000 5.126 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.169 ( 0.000 0.000 0.000) 0.000 5.500 ( 0.000 0.000 -0.000) 0.000 5.500 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 -0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 -0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.595 ( 0.000 0.000 -0.000) 0.000 6.595 ( 0.000 0.000 0.000) 0.000 7.000 ( 0.000 0.000 -0.000) 0.000 7.000 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 -0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.131 ( 0.000 0.000 -0.000) 0.000 7.131 ( 0.000 0.000 0.000) 0.000 7.260 ( 0.000 0.000 -0.000) 0.000 7.260 ( 0.000 0.000 0.000) 0.000 7.542 ( 0.000 0.000 -0.000) 0.000 7.542 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 7.719 ( 0.000 0.000 0.000) 0.000 8.156 ( 0.000 0.000 -0.000) 0.000 8.156 ( 0.000 0.000 0.000) 0.000 8.163 ( 0.000 -0.000 -0.000) 0.000 8.163 ( 0.000 -0.000 0.000) 0.000 8.455 ( 0.000 0.000 -0.000) 0.000 8.455 ( 0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 -0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 -0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.210 ( 0.000 0.000 0.000) 0.000 9.619 ( 0.000 0.000 -0.000) 0.000 9.619 ( 0.000 0.000 0.000) 0.000 9.703 ( 0.000 0.000 -0.000) 0.000 9.703 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 224 (71/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -0.117 0.000 0.000) 0.117 1.496 ( -0.117 0.000 0.000) 0.117 1.557 ( -1.282 0.000 -0.000) 1.282 1.557 ( -1.282 0.000 0.000) 1.282 1.956 ( 0.236 0.000 -0.000) 0.236 1.956 ( 0.236 0.000 0.000) 0.236 2.065 ( -2.191 0.000 -0.000) 2.191 2.065 ( -2.191 0.000 0.000) 2.191 2.288 ( 1.943 0.000 -0.000) 1.943 2.288 ( 1.943 0.000 0.000) 1.943 2.358 ( -0.196 0.000 -0.000) 0.196 2.358 ( -0.196 0.000 0.000) 0.196 2.624 ( 2.578 0.000 -0.000) 2.578 2.624 ( 2.578 0.000 0.000) 2.578 2.739 ( -0.397 0.000 -0.000) 0.397 2.739 ( -0.397 0.000 0.000) 0.397 3.716 ( 0.250 0.000 0.000) 0.250 3.716 ( 0.250 0.000 0.000) 0.250 3.797 ( -1.937 -0.000 0.000) 1.937 3.797 ( -1.937 -0.000 0.000) 1.937 5.127 ( 0.178 0.000 -0.000) 0.178 5.127 ( 0.178 0.000 0.000) 0.178 5.164 ( -0.460 0.000 -0.000) 0.460 5.164 ( -0.460 0.000 0.000) 0.460 5.507 ( 0.573 0.000 -0.000) 0.573 5.507 ( 0.573 0.000 0.000) 0.573 5.535 ( -0.078 0.000 -0.000) 0.078 5.535 ( -0.078 0.000 0.000) 0.078 6.353 ( -0.266 0.000 -0.000) 0.266 6.353 ( -0.266 0.000 0.000) 0.266 6.524 ( -5.345 0.000 -0.000) 5.345 6.524 ( -5.345 0.000 0.000) 5.345 7.017 ( 1.544 0.000 -0.000) 1.544 7.017 ( 1.544 0.000 0.000) 1.544 7.046 ( 2.135 0.000 -0.000) 2.135 7.046 ( 2.135 0.000 0.000) 2.135 7.140 ( 0.695 0.000 -0.000) 0.695 7.140 ( 0.695 0.000 0.000) 0.695 7.238 ( -1.935 0.000 -0.000) 1.935 7.238 ( -1.935 0.000 0.000) 1.935 7.553 ( 1.059 0.000 -0.000) 1.059 7.553 ( 1.059 0.000 0.000) 1.059 7.700 ( -1.745 0.000 -0.000) 1.745 7.700 ( -1.745 0.000 0.000) 1.745 8.161 ( 0.545 0.000 -0.000) 0.545 8.161 ( 0.545 0.000 0.000) 0.545 8.180 ( 1.190 -0.000 -0.000) 1.190 8.180 ( 1.190 -0.000 0.000) 1.190 8.464 ( 0.917 0.000 -0.000) 0.917 8.464 ( 0.917 0.000 0.000) 0.917 8.505 ( 1.158 0.000 -0.000) 1.158 8.505 ( 1.158 0.000 0.000) 1.158 9.040 ( 0.034 0.000 -0.000) 0.034 9.040 ( 0.034 0.000 0.000) 0.034 9.184 ( -2.252 0.000 0.000) 2.252 9.184 ( -2.252 0.000 0.000) 2.252 9.633 ( 1.140 0.000 -0.000) 1.140 9.633 ( 1.140 0.000 0.000) 1.140 9.699 ( -0.320 0.000 -0.000) 0.320 9.699 ( -0.320 0.000 0.000) 0.320 ======================= Grid point 228 (72/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 3.43e-04 3.43e-04 3.43e-04 3.43e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 0.593 0.000 0.000) 0.593 1.500 ( 0.593 0.000 0.000) 0.593 1.524 ( -1.539 0.000 -0.000) 1.539 1.524 ( -1.539 0.000 0.000) 1.539 1.969 ( 1.117 0.000 0.000) 1.117 1.969 ( 1.117 0.000 0.000) 1.117 2.009 ( -2.518 0.000 -0.000) 2.518 2.009 ( -2.518 0.000 0.000) 2.518 2.333 ( 1.776 0.000 -0.000) 1.776 2.333 ( 1.776 0.000 0.000) 1.776 2.355 ( -0.337 0.000 0.000) 0.337 2.355 ( -0.337 0.000 0.000) 0.337 2.684 ( 2.499 0.000 0.000) 2.499 2.684 ( 2.499 0.000 0.000) 2.499 2.723 ( -1.168 0.000 -0.000) 1.168 2.723 ( -1.168 0.000 0.000) 1.168 3.725 ( 0.687 0.000 0.000) 0.687 3.725 ( 0.687 0.000 0.000) 0.687 3.752 ( -1.845 -0.000 0.000) 1.845 3.752 ( -1.845 -0.000 0.000) 1.845 5.136 ( 0.597 -0.000 -0.000) 0.597 5.136 ( 0.597 -0.000 0.000) 0.597 5.151 ( -0.715 0.000 -0.000) 0.715 5.151 ( -0.715 0.000 0.000) 0.715 5.521 ( 0.613 0.000 0.000) 0.613 5.521 ( 0.613 0.000 0.000) 0.613 5.531 ( -0.314 0.000 0.000) 0.314 5.531 ( -0.314 0.000 0.000) 0.314 6.357 ( 1.038 0.000 -0.000) 1.038 6.357 ( 1.038 0.000 0.000) 1.038 6.412 ( -4.163 0.000 0.000) 4.163 6.412 ( -4.163 0.000 0.000) 4.163 7.062 ( 2.181 0.000 -0.000) 2.181 7.062 ( 2.181 0.000 0.000) 2.181 7.082 ( 0.746 0.000 -0.000) 0.746 7.082 ( 0.746 0.000 0.000) 0.746 7.153 ( 0.583 0.000 -0.000) 0.583 7.153 ( 0.583 0.000 0.000) 0.583 7.187 ( -2.416 0.000 -0.000) 2.416 7.187 ( -2.416 0.000 0.000) 2.416 7.590 ( 2.361 0.000 -0.000) 2.361 7.590 ( 2.361 0.000 0.000) 2.361 7.649 ( -2.790 0.000 -0.000) 2.790 7.649 ( -2.790 0.000 0.000) 2.790 8.179 ( 0.976 0.000 -0.000) 0.976 8.179 ( 0.976 0.000 0.000) 0.976 8.194 ( -0.132 -0.000 0.000) 0.132 8.194 ( -0.132 -0.000 -0.000) 0.132 8.495 ( 1.736 0.000 -0.000) 1.736 8.495 ( 1.736 0.000 0.000) 1.736 8.520 ( -0.194 0.000 -0.000) 0.194 8.520 ( -0.194 0.000 0.000) 0.194 9.058 ( 1.937 0.000 0.000) 1.937 9.058 ( 1.937 0.000 0.000) 1.937 9.120 ( -3.341 0.000 0.000) 3.341 9.120 ( -3.341 0.000 0.000) 3.341 9.662 ( 1.383 0.000 -0.000) 1.383 9.662 ( 1.383 0.000 0.000) 1.383 9.687 ( -0.862 0.000 -0.000) 0.862 9.687 ( -0.862 0.000 0.000) 0.862 =================== 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 3/16800 10.0 35.989 46.937 33.805 0.000 0.000 0.000 3/16800 20.0 11.053 23.242 7.386 0.000 0.000 -0.000 3/16800 30.0 6.174 17.307 3.847 0.000 0.000 -0.000 3/16800 40.0 4.329 14.566 2.623 0.000 0.000 -0.000 3/16800 50.0 3.342 12.575 2.000 0.000 0.000 -0.000 3/16800 60.0 2.715 10.949 1.619 0.000 0.000 -0.000 3/16800 70.0 2.279 9.611 1.361 0.000 0.000 -0.000 3/16800 80.0 1.961 8.517 1.176 0.000 0.000 -0.000 3/16800 90.0 1.718 7.620 1.036 0.000 0.000 -0.000 3/16800 100.0 1.529 6.881 0.926 0.000 0.000 -0.000 3/16800 110.0 1.377 6.266 0.839 0.000 0.000 -0.000 3/16800 120.0 1.252 5.748 0.767 0.000 0.000 -0.000 3/16800 130.0 1.149 5.308 0.707 0.000 0.000 -0.000 3/16800 140.0 1.061 4.929 0.656 0.000 0.000 -0.000 3/16800 150.0 0.986 4.601 0.612 0.000 0.000 -0.000 3/16800 160.0 0.921 4.313 0.574 0.000 0.000 -0.000 3/16800 170.0 0.864 4.059 0.540 0.000 0.000 -0.000 3/16800 180.0 0.814 3.834 0.510 0.000 0.000 -0.000 3/16800 190.0 0.770 3.632 0.484 0.000 0.000 -0.000 3/16800 200.0 0.730 3.451 0.460 0.000 0.000 -0.000 3/16800 210.0 0.694 3.287 0.438 0.000 0.000 -0.000 3/16800 220.0 0.662 3.137 0.418 0.000 0.000 -0.000 3/16800 230.0 0.633 3.001 0.400 0.000 0.000 -0.000 3/16800 240.0 0.606 2.877 0.384 0.000 0.000 -0.000 3/16800 250.0 0.581 2.762 0.368 0.000 0.000 -0.000 3/16800 260.0 0.558 2.656 0.354 0.000 0.000 -0.000 3/16800 270.0 0.537 2.558 0.341 0.000 0.000 -0.000 3/16800 280.0 0.518 2.467 0.329 0.000 0.000 -0.000 3/16800 290.0 0.500 2.382 0.318 0.000 0.000 -0.000 3/16800 300.0 0.483 2.303 0.308 0.000 0.000 -0.000 3/16800 310.0 0.467 2.229 0.298 0.000 0.000 -0.000 3/16800 320.0 0.452 2.160 0.289 0.000 0.000 -0.000 3/16800 330.0 0.438 2.094 0.280 0.000 0.000 -0.000 3/16800 340.0 0.425 2.033 0.272 0.000 0.000 -0.000 3/16800 350.0 0.413 1.975 0.264 0.000 0.000 -0.000 3/16800 360.0 0.402 1.921 0.257 0.000 0.000 -0.000 3/16800 370.0 0.391 1.869 0.250 0.000 0.000 -0.000 3/16800 380.0 0.380 1.820 0.244 0.000 0.000 -0.000 3/16800 390.0 0.370 1.774 0.237 0.000 0.000 -0.000 3/16800 400.0 0.361 1.729 0.231 0.000 0.000 -0.000 3/16800 410.0 0.352 1.687 0.226 0.000 0.000 -0.000 3/16800 420.0 0.344 1.647 0.221 0.000 0.000 -0.000 3/16800 430.0 0.336 1.609 0.215 0.000 0.000 -0.000 3/16800 440.0 0.328 1.573 0.211 0.000 0.000 -0.000 3/16800 450.0 0.321 1.538 0.206 0.000 0.000 -0.000 3/16800 460.0 0.314 1.505 0.202 0.000 0.000 -0.000 3/16800 470.0 0.307 1.473 0.197 0.000 0.000 -0.000 3/16800 480.0 0.301 1.442 0.193 0.000 0.000 -0.000 3/16800 490.0 0.295 1.413 0.189 0.000 0.000 -0.000 3/16800 500.0 0.289 1.385 0.186 0.000 0.000 -0.000 3/16800 510.0 0.283 1.358 0.182 0.000 0.000 -0.000 3/16800 520.0 0.278 1.332 0.178 0.000 0.000 -0.000 3/16800 530.0 0.272 1.307 0.175 0.000 0.000 -0.000 3/16800 540.0 0.267 1.283 0.172 0.000 0.000 -0.000 3/16800 550.0 0.262 1.260 0.169 0.000 0.000 -0.000 3/16800 560.0 0.258 1.237 0.166 0.000 0.000 -0.000 3/16800 570.0 0.253 1.216 0.163 0.000 0.000 -0.000 3/16800 580.0 0.249 1.195 0.160 0.000 0.000 -0.000 3/16800 590.0 0.245 1.175 0.157 0.000 0.000 -0.000 3/16800 600.0 0.241 1.155 0.155 0.000 0.000 -0.000 3/16800 610.0 0.237 1.136 0.152 0.000 0.000 -0.000 3/16800 620.0 0.233 1.118 0.150 0.000 0.000 -0.000 3/16800 630.0 0.229 1.100 0.147 0.000 0.000 -0.000 3/16800 640.0 0.225 1.083 0.145 0.000 0.000 -0.000 3/16800 650.0 0.222 1.067 0.143 0.000 0.000 -0.000 3/16800 660.0 0.219 1.051 0.141 0.000 0.000 -0.000 3/16800 670.0 0.215 1.035 0.139 0.000 0.000 -0.000 3/16800 680.0 0.212 1.020 0.137 0.000 0.000 -0.000 3/16800 690.0 0.209 1.005 0.135 0.000 0.000 -0.000 3/16800 700.0 0.206 0.991 0.133 0.000 0.000 -0.000 3/16800 710.0 0.203 0.977 0.131 0.000 0.000 -0.000 3/16800 720.0 0.200 0.963 0.129 0.000 0.000 -0.000 3/16800 730.0 0.198 0.950 0.127 0.000 0.000 -0.000 3/16800 740.0 0.195 0.937 0.126 0.000 0.000 -0.000 3/16800 750.0 0.192 0.925 0.124 0.000 0.000 -0.000 3/16800 760.0 0.190 0.913 0.122 0.000 0.000 -0.000 3/16800 770.0 0.187 0.901 0.121 0.000 0.000 -0.000 3/16800 780.0 0.185 0.890 0.119 0.000 0.000 -0.000 3/16800 790.0 0.183 0.878 0.118 0.000 0.000 -0.000 3/16800 800.0 0.180 0.867 0.116 0.000 0.000 -0.000 3/16800 810.0 0.178 0.857 0.115 0.000 0.000 -0.000 3/16800 820.0 0.176 0.846 0.113 0.000 0.000 -0.000 3/16800 830.0 0.174 0.836 0.112 0.000 0.000 -0.000 3/16800 840.0 0.172 0.826 0.111 0.000 0.000 -0.000 3/16800 850.0 0.170 0.817 0.109 0.000 0.000 -0.000 3/16800 860.0 0.168 0.807 0.108 0.000 0.000 -0.000 3/16800 870.0 0.166 0.798 0.107 0.000 0.000 -0.000 3/16800 880.0 0.164 0.789 0.106 0.000 0.000 -0.000 3/16800 890.0 0.162 0.780 0.105 0.000 0.000 -0.000 3/16800 900.0 0.160 0.771 0.103 0.000 0.000 -0.000 3/16800 910.0 0.159 0.763 0.102 0.000 0.000 -0.000 3/16800 920.0 0.157 0.755 0.101 0.000 0.000 -0.000 3/16800 930.0 0.155 0.747 0.100 0.000 0.000 -0.000 3/16800 940.0 0.154 0.739 0.099 0.000 0.000 -0.000 3/16800 950.0 0.152 0.731 0.098 0.000 0.000 -0.000 3/16800 960.0 0.150 0.723 0.097 0.000 0.000 -0.000 3/16800 970.0 0.149 0.716 0.096 0.000 0.000 -0.000 3/16800 980.0 0.147 0.709 0.095 0.000 0.000 -0.000 3/16800 990.0 0.146 0.702 0.094 0.000 0.000 -0.000 3/16800 1000.0 0.144 0.695 0.093 0.000 0.000 -0.000 3/16800 Thermal conductivity related properties were written into "kappa-m5144.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:14:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|