----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 12:23:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 3] 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 13.398117400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.622653830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.666285820000001 Atomic positions (fractional): *1 K 0.35323581070784 0.25000000000000 0.99872495292479 39.098 2 K 0.64676418929216 0.75000000000000 0.00127504707521 39.098 3 K 0.14676418929216 0.75000000000000 0.49872495292479 39.098 4 K 0.85323581070784 0.25000000000000 0.50127504707521 39.098 *5 Cl 0.41228813025927 0.75000000000000 0.53737757634324 35.453 6 Cl 0.91228813025927 0.75000000000000 0.96262242365676 35.453 7 Cl 0.08771186974073 0.25000000000000 0.03737757634324 35.453 8 Cl 0.58771186974073 0.25000000000000 0.46262242365676 35.453 *9 O 0.84702285825144 0.53622184704872 0.00417707076420 15.999 10 O 0.34702285825144 0.53622184704872 0.49582292923580 15.999 *11 O 0.55663447027483 0.25000000000000 0.15449855538543 15.999 12 O 0.84702285825144 0.96377815295128 0.00417707076420 15.999 13 O 0.44336552972517 0.75000000000000 0.84550144461457 15.999 14 O 0.65297714174856 0.03622184704872 0.50417707076420 15.999 15 O 0.05663447027483 0.25000000000000 0.34550144461457 15.999 16 O 0.15297714174856 0.03622184704872 0.99582292923580 15.999 17 O 0.94336552972517 0.75000000000000 0.65449855538543 15.999 18 O 0.65297714174856 0.46377815295128 0.50417707076420 15.999 19 O 0.34702285825144 0.96377815295128 0.49582292923580 15.999 20 O 0.15297714174856 0.46377815295128 0.99582292923580 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 13.398117400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.622653830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.666285820000001 Atomic positions (fractional): *1 K 0.35323581070784 0.25000000000000 0.99872495292479 39.098 > 1 2 K 0.64676418929216 0.75000000000000 0.00127504707521 39.098 > 2 3 K 0.14676418929216 0.75000000000000 0.49872495292479 39.098 > 3 4 K 0.85323581070784 0.25000000000000 0.50127504707521 39.098 > 4 *5 Cl 0.41228813025927 0.75000000000000 0.53737757634324 35.453 > 5 6 Cl 0.91228813025927 0.75000000000000 0.96262242365676 35.453 > 6 7 Cl 0.08771186974073 0.25000000000000 0.03737757634324 35.453 > 7 8 Cl 0.58771186974073 0.25000000000000 0.46262242365676 35.453 > 8 *9 O 0.84702285825144 0.53622184704872 0.00417707076420 15.999 > 9 10 O 0.34702285825144 0.53622184704872 0.49582292923580 15.999 > 10 *11 O 0.55663447027483 0.25000000000000 0.15449855538543 15.999 > 11 12 O 0.84702285825144 0.96377815295128 0.00417707076420 15.999 > 12 13 O 0.44336552972517 0.75000000000000 0.84550144461457 15.999 > 13 14 O 0.65297714174856 0.03622184704872 0.50417707076420 15.999 > 14 15 O 0.05663447027483 0.25000000000000 0.34550144461457 15.999 > 15 16 O 0.15297714174856 0.03622184704872 0.99582292923580 15.999 > 16 17 O 0.94336552972517 0.75000000000000 0.65449855538543 15.999 > 17 18 O 0.65297714174856 0.46377815295128 0.50417707076420 15.999 > 18 19 O 0.34702285825144 0.96377815295128 0.49582292923580 15.999 > 19 20 O 0.15297714174856 0.46377815295128 0.99582292923580 15.999 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.398117400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.245307660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.998857460000002 Atomic positions (fractional): *1 K 0.35323581070784 0.12500000000000 0.33290831764160 39.098 > 1 2 K 0.35323581070784 0.62500000000000 0.33290831764160 39.098 > 1 3 K 0.35323581070784 0.12500000000000 0.66624165097493 39.098 > 1 4 K 0.35323581070784 0.62500000000000 0.66624165097493 39.098 > 1 5 K 0.35323581070784 0.12500000000000 0.99957498430826 39.098 > 1 6 K 0.35323581070784 0.62500000000000 0.99957498430826 39.098 > 1 7 K 0.64676418929216 0.37500000000000 0.00042501569174 39.098 > 2 8 K 0.64676418929216 0.87500000000000 0.00042501569174 39.098 > 2 9 K 0.64676418929216 0.37500000000000 0.33375834902507 39.098 > 2 10 K 0.64676418929216 0.87500000000000 0.33375834902507 39.098 > 2 11 K 0.64676418929216 0.37500000000000 0.66709168235840 39.098 > 2 12 K 0.64676418929216 0.87500000000000 0.66709168235840 39.098 > 2 13 K 0.14676418929216 0.37500000000000 0.16624165097493 39.098 > 3 14 K 0.14676418929216 0.87500000000000 0.16624165097493 39.098 > 3 15 K 0.14676418929216 0.37500000000000 0.49957498430826 39.098 > 3 16 K 0.14676418929216 0.87500000000000 0.49957498430826 39.098 > 3 17 K 0.14676418929216 0.37500000000000 0.83290831764160 39.098 > 3 18 K 0.14676418929216 0.87500000000000 0.83290831764160 39.098 > 3 19 K 0.85323581070784 0.12500000000000 0.16709168235840 39.098 > 4 20 K 0.85323581070784 0.62500000000000 0.16709168235840 39.098 > 4 21 K 0.85323581070784 0.12500000000000 0.50042501569174 39.098 > 4 22 K 0.85323581070784 0.62500000000000 0.50042501569174 39.098 > 4 23 K 0.85323581070784 0.12500000000000 0.83375834902507 39.098 > 4 24 K 0.85323581070784 0.62500000000000 0.83375834902507 39.098 > 4 *25 Cl 0.41228813025927 0.37500000000000 0.17912585878108 35.453 > 5 26 Cl 0.41228813025927 0.87500000000000 0.17912585878108 35.453 > 5 27 Cl 0.41228813025927 0.37500000000000 0.51245919211441 35.453 > 5 28 Cl 0.41228813025927 0.87500000000000 0.51245919211441 35.453 > 5 29 Cl 0.41228813025927 0.37500000000000 0.84579252544775 35.453 > 5 30 Cl 0.41228813025927 0.87500000000000 0.84579252544775 35.453 > 5 31 Cl 0.91228813025927 0.37500000000000 0.32087414121892 35.453 > 6 32 Cl 0.91228813025927 0.87500000000000 0.32087414121892 35.453 > 6 33 Cl 0.91228813025927 0.37500000000000 0.65420747455225 35.453 > 6 34 Cl 0.91228813025927 0.87500000000000 0.65420747455225 35.453 > 6 35 Cl 0.91228813025927 0.37500000000000 0.98754080788559 35.453 > 6 36 Cl 0.91228813025927 0.87500000000000 0.98754080788559 35.453 > 6 37 Cl 0.08771186974073 0.12500000000000 0.01245919211441 35.453 > 7 38 Cl 0.08771186974073 0.62500000000000 0.01245919211441 35.453 > 7 39 Cl 0.08771186974073 0.12500000000000 0.34579252544775 35.453 > 7 40 Cl 0.08771186974073 0.62500000000000 0.34579252544775 35.453 > 7 41 Cl 0.08771186974073 0.12500000000000 0.67912585878108 35.453 > 7 42 Cl 0.08771186974073 0.62500000000000 0.67912585878108 35.453 > 7 43 Cl 0.58771186974073 0.12500000000000 0.15420747455225 35.453 > 8 44 Cl 0.58771186974073 0.62500000000000 0.15420747455225 35.453 > 8 45 Cl 0.58771186974073 0.12500000000000 0.48754080788559 35.453 > 8 46 Cl 0.58771186974073 0.62500000000000 0.48754080788559 35.453 > 8 47 Cl 0.58771186974073 0.12500000000000 0.82087414121892 35.453 > 8 48 Cl 0.58771186974073 0.62500000000000 0.82087414121892 35.453 > 8 *49 O 0.84702285825144 0.26811092352436 0.00139235692140 15.999 > 9 50 O 0.84702285825144 0.76811092352436 0.00139235692140 15.999 > 9 51 O 0.84702285825144 0.26811092352436 0.33472569025473 15.999 > 9 52 O 0.84702285825144 0.76811092352436 0.33472569025473 15.999 > 9 53 O 0.84702285825144 0.26811092352436 0.66805902358807 15.999 > 9 54 O 0.84702285825144 0.76811092352436 0.66805902358807 15.999 > 9 55 O 0.34702285825144 0.26811092352436 0.16527430974527 15.999 > 10 56 O 0.34702285825144 0.76811092352436 0.16527430974527 15.999 > 10 57 O 0.34702285825144 0.26811092352436 0.49860764307860 15.999 > 10 58 O 0.34702285825144 0.76811092352436 0.49860764307860 15.999 > 10 59 O 0.34702285825144 0.26811092352436 0.83194097641193 15.999 > 10 60 O 0.34702285825144 0.76811092352436 0.83194097641193 15.999 > 10 *61 O 0.55663447027483 0.12500000000000 0.05149951846181 15.999 > 11 62 O 0.55663447027483 0.62500000000000 0.05149951846181 15.999 > 11 63 O 0.55663447027483 0.12500000000000 0.38483285179514 15.999 > 11 64 O 0.55663447027483 0.62500000000000 0.38483285179514 15.999 > 11 65 O 0.55663447027483 0.12500000000000 0.71816618512848 15.999 > 11 66 O 0.55663447027483 0.62500000000000 0.71816618512848 15.999 > 11 67 O 0.84702285825144 0.48188907647564 0.00139235692140 15.999 > 12 68 O 0.84702285825144 0.98188907647564 0.00139235692140 15.999 > 12 69 O 0.84702285825144 0.48188907647564 0.33472569025473 15.999 > 12 70 O 0.84702285825144 0.98188907647564 0.33472569025473 15.999 > 12 71 O 0.84702285825144 0.48188907647564 0.66805902358807 15.999 > 12 72 O 0.84702285825144 0.98188907647564 0.66805902358807 15.999 > 12 73 O 0.44336552972517 0.37500000000000 0.28183381487152 15.999 > 13 74 O 0.44336552972517 0.87500000000000 0.28183381487152 15.999 > 13 75 O 0.44336552972517 0.37500000000000 0.61516714820486 15.999 > 13 76 O 0.44336552972517 0.87500000000000 0.61516714820486 15.999 > 13 77 O 0.44336552972517 0.37500000000000 0.94850048153819 15.999 > 13 78 O 0.44336552972517 0.87500000000000 0.94850048153819 15.999 > 13 79 O 0.65297714174856 0.01811092352436 0.16805902358807 15.999 > 14 80 O 0.65297714174856 0.51811092352436 0.16805902358807 15.999 > 14 81 O 0.65297714174856 0.01811092352436 0.50139235692140 15.999 > 14 82 O 0.65297714174856 0.51811092352436 0.50139235692140 15.999 > 14 83 O 0.65297714174856 0.01811092352436 0.83472569025473 15.999 > 14 84 O 0.65297714174856 0.51811092352436 0.83472569025473 15.999 > 14 85 O 0.05663447027483 0.12500000000000 0.11516714820486 15.999 > 15 86 O 0.05663447027483 0.62500000000000 0.11516714820486 15.999 > 15 87 O 0.05663447027483 0.12500000000000 0.44850048153819 15.999 > 15 88 O 0.05663447027483 0.62500000000000 0.44850048153819 15.999 > 15 89 O 0.05663447027483 0.12500000000000 0.78183381487152 15.999 > 15 90 O 0.05663447027483 0.62500000000000 0.78183381487152 15.999 > 15 91 O 0.15297714174856 0.01811092352436 0.33194097641193 15.999 > 16 92 O 0.15297714174856 0.51811092352436 0.33194097641193 15.999 > 16 93 O 0.15297714174856 0.01811092352436 0.66527430974527 15.999 > 16 94 O 0.15297714174856 0.51811092352436 0.66527430974527 15.999 > 16 95 O 0.15297714174856 0.01811092352436 0.99860764307860 15.999 > 16 96 O 0.15297714174856 0.51811092352436 0.99860764307860 15.999 > 16 97 O 0.94336552972517 0.37500000000000 0.21816618512848 15.999 > 17 98 O 0.94336552972517 0.87500000000000 0.21816618512848 15.999 > 17 99 O 0.94336552972517 0.37500000000000 0.55149951846181 15.999 > 17 100 O 0.94336552972517 0.87500000000000 0.55149951846181 15.999 > 17 101 O 0.94336552972517 0.37500000000000 0.88483285179514 15.999 > 17 102 O 0.94336552972517 0.87500000000000 0.88483285179514 15.999 > 17 103 O 0.65297714174856 0.23188907647564 0.16805902358807 15.999 > 18 104 O 0.65297714174856 0.73188907647564 0.16805902358807 15.999 > 18 105 O 0.65297714174856 0.23188907647564 0.50139235692140 15.999 > 18 106 O 0.65297714174856 0.73188907647564 0.50139235692140 15.999 > 18 107 O 0.65297714174856 0.23188907647564 0.83472569025473 15.999 > 18 108 O 0.65297714174856 0.73188907647564 0.83472569025473 15.999 > 18 109 O 0.34702285825144 0.48188907647564 0.16527430974527 15.999 > 19 110 O 0.34702285825144 0.98188907647564 0.16527430974527 15.999 > 19 111 O 0.34702285825144 0.48188907647564 0.49860764307860 15.999 > 19 112 O 0.34702285825144 0.98188907647564 0.49860764307860 15.999 > 19 113 O 0.34702285825144 0.48188907647564 0.83194097641193 15.999 > 19 114 O 0.34702285825144 0.98188907647564 0.83194097641193 15.999 > 19 115 O 0.15297714174856 0.23188907647564 0.33194097641193 15.999 > 20 116 O 0.15297714174856 0.73188907647564 0.33194097641193 15.999 > 20 117 O 0.15297714174856 0.23188907647564 0.66527430974527 15.999 > 20 118 O 0.15297714174856 0.73188907647564 0.66527430974527 15.999 > 20 119 O 0.15297714174856 0.23188907647564 0.99860764307860 15.999 > 20 120 O 0.15297714174856 0.73188907647564 0.99860764307860 15.999 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1805995 0.0000000 0.0000000 0.0000000 2.4115855 0.0000000 0.0000000 0.0000000 2.2656773 -------------------------- Born effective charges -------------------------- 1 K 1.2124121 0.0000000 0.0379521 0.0000000 1.2314207 0.0000000 -0.0438748 0.0000000 1.2011049 2 K 1.2124121 0.0000000 0.0379521 0.0000000 1.2314207 0.0000000 -0.0438748 0.0000000 1.2011049 3 K 1.2124121 0.0000000 -0.0379521 0.0000000 1.2314207 0.0000000 0.0438748 0.0000000 1.2011049 4 K 1.2124121 0.0000000 -0.0379521 0.0000000 1.2314207 0.0000000 0.0438748 0.0000000 1.2011049 5 Cl 1.5359935 0.0000000 0.8964908 0.0000000 2.8008484 0.0000000 0.7528067 0.0000000 1.9387666 6 Cl 1.5359935 0.0000000 -0.8964908 0.0000000 2.8008484 0.0000000 -0.7528067 0.0000000 1.9387666 7 Cl 1.5359935 0.0000000 -0.8964908 0.0000000 2.8008484 0.0000000 -0.7528067 0.0000000 1.9387666 8 Cl 1.5359935 0.0000000 0.8964908 0.0000000 2.8008484 0.0000000 0.7528067 0.0000000 1.9387666 9 O -0.9850196 -0.3452799 0.0770633 -0.7505396 -1.6509317 0.0717342 0.2542194 0.2967808 -0.7110647 10 O -0.9850196 -0.3452799 -0.0770633 -0.7505396 -1.6509317 -0.0717342 -0.2542194 -0.2967808 -0.7110647 11 O -0.7783664 0.0000000 -0.7776129 0.0000000 -0.7304056 0.0000000 -0.2193080 0.0000000 -1.7177422 12 O -0.9850196 0.3452799 0.0770633 0.7505396 -1.6509317 -0.0717342 0.2542194 -0.2967808 -0.7110647 13 O -0.7783664 0.0000000 -0.7776129 0.0000000 -0.7304056 0.0000000 -0.2193080 0.0000000 -1.7177422 14 O -0.9850196 0.3452799 -0.0770633 0.7505396 -1.6509317 0.0717342 -0.2542194 0.2967808 -0.7110647 15 O -0.7783664 0.0000000 0.7776129 0.0000000 -0.7304056 0.0000000 0.2193080 0.0000000 -1.7177422 16 O -0.9850196 0.3452799 0.0770633 0.7505396 -1.6509317 -0.0717342 0.2542194 -0.2967808 -0.7110647 17 O -0.7783664 0.0000000 0.7776129 0.0000000 -0.7304056 0.0000000 0.2193080 0.0000000 -1.7177422 18 O -0.9850196 -0.3452799 -0.0770633 -0.7505396 -1.6509317 -0.0717342 -0.2542194 -0.2967808 -0.7110647 19 O -0.9850196 0.3452799 -0.0770633 0.7505396 -1.6509317 0.0717342 -0.2542194 0.2967808 -0.7110647 20 O -0.9850196 -0.3452799 0.0770633 -0.7505396 -1.6509317 0.0717342 0.2542194 0.2967808 -0.7110647 ---------------------------------------------------------------------------- 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: 1467 Number of blocks in projector: 1467 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: 354 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 207 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 207 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 207 Use standard eigh solver. Tree of FC basis block matrices: - (1467, 1443), data: False |-- (207, 203), data: True |-- (207, 203), data: True |-- (207, 203), data: True |-- (246, 244), data: True |-- (246, 244), data: True |-- (354, 346), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.101 Solver_block: 200 / 320 - Time: 2.129 Solver_block: 300 / 320 - Time: 2.124 Solver_block: 320 / 320 - Time: 0.517 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.903 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) 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: 1467 Number of blocks in projector: 1467 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: 354 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 246 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 207 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 207 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 207 Use standard eigh solver. Tree of FC basis block matrices: - (1467, 1443), data: False |-- (207, 203), data: True |-- (207, 203), data: True |-- (207, 203), data: True |-- (246, 244), data: True |-- (246, 244), data: True |-- (354, 346), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 12:24:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:24:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.398117400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.622653830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.666285820000001 Atomic positions (fractional): 1 K 0.35323581070784 0.25000000000000 0.99872495292479 39.098 2 K 0.64676418929216 0.75000000000000 0.00127504707521 39.098 3 K 0.14676418929216 0.75000000000000 0.49872495292479 39.098 4 K 0.85323581070784 0.25000000000000 0.50127504707521 39.098 5 Cl 0.41228813025927 0.75000000000000 0.53737757634324 35.453 6 Cl 0.91228813025927 0.75000000000000 0.96262242365676 35.453 7 Cl 0.08771186974073 0.25000000000000 0.03737757634324 35.453 8 Cl 0.58771186974073 0.25000000000000 0.46262242365676 35.453 9 O 0.84702285825144 0.53622184704872 0.00417707076420 15.999 10 O 0.34702285825144 0.53622184704872 0.49582292923580 15.999 11 O 0.55663447027483 0.25000000000000 0.15449855538543 15.999 12 O 0.84702285825144 0.96377815295128 0.00417707076420 15.999 13 O 0.44336552972517 0.75000000000000 0.84550144461457 15.999 14 O 0.65297714174856 0.03622184704872 0.50417707076420 15.999 15 O 0.05663447027483 0.25000000000000 0.34550144461457 15.999 16 O 0.15297714174856 0.03622184704872 0.99582292923580 15.999 17 O 0.94336552972517 0.75000000000000 0.65449855538543 15.999 18 O 0.65297714174856 0.46377815295128 0.50417707076420 15.999 19 O 0.34702285825144 0.96377815295128 0.49582292923580 15.999 20 O 0.15297714174856 0.46377815295128 0.99582292923580 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.398117400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.245307660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.998857460000002 Atomic positions (fractional): 1 K 0.35323581070784 0.12500000000000 0.33290831764160 39.098 > 1 2 K 0.35323581070784 0.62500000000000 0.33290831764160 39.098 > 1 3 K 0.35323581070784 0.12500000000000 0.66624165097493 39.098 > 1 4 K 0.35323581070784 0.62500000000000 0.66624165097493 39.098 > 1 5 K 0.35323581070784 0.12500000000000 0.99957498430826 39.098 > 1 6 K 0.35323581070784 0.62500000000000 0.99957498430826 39.098 > 1 7 K 0.64676418929216 0.37500000000000 0.00042501569174 39.098 > 7 8 K 0.64676418929216 0.87500000000000 0.00042501569174 39.098 > 7 9 K 0.64676418929216 0.37500000000000 0.33375834902507 39.098 > 7 10 K 0.64676418929216 0.87500000000000 0.33375834902507 39.098 > 7 11 K 0.64676418929216 0.37500000000000 0.66709168235840 39.098 > 7 12 K 0.64676418929216 0.87500000000000 0.66709168235840 39.098 > 7 13 K 0.14676418929216 0.37500000000000 0.16624165097493 39.098 > 13 14 K 0.14676418929216 0.87500000000000 0.16624165097493 39.098 > 13 15 K 0.14676418929216 0.37500000000000 0.49957498430826 39.098 > 13 16 K 0.14676418929216 0.87500000000000 0.49957498430826 39.098 > 13 17 K 0.14676418929216 0.37500000000000 0.83290831764160 39.098 > 13 18 K 0.14676418929216 0.87500000000000 0.83290831764160 39.098 > 13 19 K 0.85323581070784 0.12500000000000 0.16709168235840 39.098 > 19 20 K 0.85323581070784 0.62500000000000 0.16709168235840 39.098 > 19 21 K 0.85323581070784 0.12500000000000 0.50042501569174 39.098 > 19 22 K 0.85323581070784 0.62500000000000 0.50042501569174 39.098 > 19 23 K 0.85323581070784 0.12500000000000 0.83375834902507 39.098 > 19 24 K 0.85323581070784 0.62500000000000 0.83375834902507 39.098 > 19 25 Cl 0.41228813025927 0.37500000000000 0.17912585878108 35.453 > 25 26 Cl 0.41228813025927 0.87500000000000 0.17912585878108 35.453 > 25 27 Cl 0.41228813025927 0.37500000000000 0.51245919211441 35.453 > 25 28 Cl 0.41228813025927 0.87500000000000 0.51245919211441 35.453 > 25 29 Cl 0.41228813025927 0.37500000000000 0.84579252544775 35.453 > 25 30 Cl 0.41228813025927 0.87500000000000 0.84579252544775 35.453 > 25 31 Cl 0.91228813025927 0.37500000000000 0.32087414121892 35.453 > 31 32 Cl 0.91228813025927 0.87500000000000 0.32087414121892 35.453 > 31 33 Cl 0.91228813025927 0.37500000000000 0.65420747455225 35.453 > 31 34 Cl 0.91228813025927 0.87500000000000 0.65420747455225 35.453 > 31 35 Cl 0.91228813025927 0.37500000000000 0.98754080788559 35.453 > 31 36 Cl 0.91228813025927 0.87500000000000 0.98754080788559 35.453 > 31 37 Cl 0.08771186974073 0.12500000000000 0.01245919211441 35.453 > 37 38 Cl 0.08771186974073 0.62500000000000 0.01245919211441 35.453 > 37 39 Cl 0.08771186974073 0.12500000000000 0.34579252544775 35.453 > 37 40 Cl 0.08771186974073 0.62500000000000 0.34579252544775 35.453 > 37 41 Cl 0.08771186974073 0.12500000000000 0.67912585878108 35.453 > 37 42 Cl 0.08771186974073 0.62500000000000 0.67912585878108 35.453 > 37 43 Cl 0.58771186974073 0.12500000000000 0.15420747455225 35.453 > 43 44 Cl 0.58771186974073 0.62500000000000 0.15420747455225 35.453 > 43 45 Cl 0.58771186974073 0.12500000000000 0.48754080788559 35.453 > 43 46 Cl 0.58771186974073 0.62500000000000 0.48754080788559 35.453 > 43 47 Cl 0.58771186974073 0.12500000000000 0.82087414121892 35.453 > 43 48 Cl 0.58771186974073 0.62500000000000 0.82087414121892 35.453 > 43 49 O 0.84702285825144 0.26811092352436 0.00139235692140 15.999 > 49 50 O 0.84702285825144 0.76811092352436 0.00139235692140 15.999 > 49 51 O 0.84702285825144 0.26811092352436 0.33472569025473 15.999 > 49 52 O 0.84702285825144 0.76811092352436 0.33472569025473 15.999 > 49 53 O 0.84702285825144 0.26811092352436 0.66805902358807 15.999 > 49 54 O 0.84702285825144 0.76811092352436 0.66805902358807 15.999 > 49 55 O 0.34702285825144 0.26811092352436 0.16527430974527 15.999 > 55 56 O 0.34702285825144 0.76811092352436 0.16527430974527 15.999 > 55 57 O 0.34702285825144 0.26811092352436 0.49860764307860 15.999 > 55 58 O 0.34702285825144 0.76811092352436 0.49860764307860 15.999 > 55 59 O 0.34702285825144 0.26811092352436 0.83194097641193 15.999 > 55 60 O 0.34702285825144 0.76811092352436 0.83194097641193 15.999 > 55 61 O 0.55663447027483 0.12500000000000 0.05149951846181 15.999 > 61 62 O 0.55663447027483 0.62500000000000 0.05149951846181 15.999 > 61 63 O 0.55663447027483 0.12500000000000 0.38483285179514 15.999 > 61 64 O 0.55663447027483 0.62500000000000 0.38483285179514 15.999 > 61 65 O 0.55663447027483 0.12500000000000 0.71816618512848 15.999 > 61 66 O 0.55663447027483 0.62500000000000 0.71816618512848 15.999 > 61 67 O 0.84702285825144 0.48188907647564 0.00139235692140 15.999 > 67 68 O 0.84702285825144 0.98188907647564 0.00139235692140 15.999 > 67 69 O 0.84702285825144 0.48188907647564 0.33472569025473 15.999 > 67 70 O 0.84702285825144 0.98188907647564 0.33472569025473 15.999 > 67 71 O 0.84702285825144 0.48188907647564 0.66805902358807 15.999 > 67 72 O 0.84702285825144 0.98188907647564 0.66805902358807 15.999 > 67 73 O 0.44336552972517 0.37500000000000 0.28183381487152 15.999 > 73 74 O 0.44336552972517 0.87500000000000 0.28183381487152 15.999 > 73 75 O 0.44336552972517 0.37500000000000 0.61516714820486 15.999 > 73 76 O 0.44336552972517 0.87500000000000 0.61516714820486 15.999 > 73 77 O 0.44336552972517 0.37500000000000 0.94850048153819 15.999 > 73 78 O 0.44336552972517 0.87500000000000 0.94850048153819 15.999 > 73 79 O 0.65297714174856 0.01811092352436 0.16805902358807 15.999 > 79 80 O 0.65297714174856 0.51811092352436 0.16805902358807 15.999 > 79 81 O 0.65297714174856 0.01811092352436 0.50139235692140 15.999 > 79 82 O 0.65297714174856 0.51811092352436 0.50139235692140 15.999 > 79 83 O 0.65297714174856 0.01811092352436 0.83472569025473 15.999 > 79 84 O 0.65297714174856 0.51811092352436 0.83472569025473 15.999 > 79 85 O 0.05663447027483 0.12500000000000 0.11516714820486 15.999 > 85 86 O 0.05663447027483 0.62500000000000 0.11516714820486 15.999 > 85 87 O 0.05663447027483 0.12500000000000 0.44850048153819 15.999 > 85 88 O 0.05663447027483 0.62500000000000 0.44850048153819 15.999 > 85 89 O 0.05663447027483 0.12500000000000 0.78183381487152 15.999 > 85 90 O 0.05663447027483 0.62500000000000 0.78183381487152 15.999 > 85 91 O 0.15297714174856 0.01811092352436 0.33194097641193 15.999 > 91 92 O 0.15297714174856 0.51811092352436 0.33194097641193 15.999 > 91 93 O 0.15297714174856 0.01811092352436 0.66527430974527 15.999 > 91 94 O 0.15297714174856 0.51811092352436 0.66527430974527 15.999 > 91 95 O 0.15297714174856 0.01811092352436 0.99860764307860 15.999 > 91 96 O 0.15297714174856 0.51811092352436 0.99860764307860 15.999 > 91 97 O 0.94336552972517 0.37500000000000 0.21816618512848 15.999 > 97 98 O 0.94336552972517 0.87500000000000 0.21816618512848 15.999 > 97 99 O 0.94336552972517 0.37500000000000 0.55149951846181 15.999 > 97 100 O 0.94336552972517 0.87500000000000 0.55149951846181 15.999 > 97 101 O 0.94336552972517 0.37500000000000 0.88483285179514 15.999 > 97 102 O 0.94336552972517 0.87500000000000 0.88483285179514 15.999 > 97 103 O 0.65297714174856 0.23188907647564 0.16805902358807 15.999 > 103 104 O 0.65297714174856 0.73188907647564 0.16805902358807 15.999 > 103 105 O 0.65297714174856 0.23188907647564 0.50139235692140 15.999 > 103 106 O 0.65297714174856 0.73188907647564 0.50139235692140 15.999 > 103 107 O 0.65297714174856 0.23188907647564 0.83472569025473 15.999 > 103 108 O 0.65297714174856 0.73188907647564 0.83472569025473 15.999 > 103 109 O 0.34702285825144 0.48188907647564 0.16527430974527 15.999 > 109 110 O 0.34702285825144 0.98188907647564 0.16527430974527 15.999 > 109 111 O 0.34702285825144 0.48188907647564 0.49860764307860 15.999 > 109 112 O 0.34702285825144 0.98188907647564 0.49860764307860 15.999 > 109 113 O 0.34702285825144 0.48188907647564 0.83194097641193 15.999 > 109 114 O 0.34702285825144 0.98188907647564 0.83194097641193 15.999 > 109 115 O 0.15297714174856 0.23188907647564 0.33194097641193 15.999 > 115 116 O 0.15297714174856 0.73188907647564 0.33194097641193 15.999 > 115 117 O 0.15297714174856 0.23188907647564 0.66527430974527 15.999 > 115 118 O 0.15297714174856 0.73188907647564 0.66527430974527 15.999 > 115 119 O 0.15297714174856 0.23188907647564 0.99860764307860 15.999 > 115 120 O 0.15297714174856 0.73188907647564 0.99860764307860 15.999 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.1805995 0.0000000 0.0000000 0.0000000 2.4115855 0.0000000 0.0000000 0.0000000 2.2656773 -------------------------- Born effective charges -------------------------- 1 K 1.2124121 0.0000000 0.0379521 0.0000000 1.2314207 0.0000000 -0.0438748 0.0000000 1.2011049 2 K 1.2124121 0.0000000 0.0379521 0.0000000 1.2314207 0.0000000 -0.0438748 0.0000000 1.2011049 3 K 1.2124121 0.0000000 -0.0379521 0.0000000 1.2314207 0.0000000 0.0438748 0.0000000 1.2011049 4 K 1.2124121 0.0000000 -0.0379521 0.0000000 1.2314207 0.0000000 0.0438748 0.0000000 1.2011049 5 Cl 1.5359935 0.0000000 0.8964908 0.0000000 2.8008484 0.0000000 0.7528067 0.0000000 1.9387666 6 Cl 1.5359935 0.0000000 -0.8964908 0.0000000 2.8008484 0.0000000 -0.7528067 0.0000000 1.9387666 7 Cl 1.5359935 0.0000000 -0.8964908 0.0000000 2.8008484 0.0000000 -0.7528067 0.0000000 1.9387666 8 Cl 1.5359935 0.0000000 0.8964908 0.0000000 2.8008484 0.0000000 0.7528067 0.0000000 1.9387666 9 O -0.9850196 -0.3452799 0.0770633 -0.7505396 -1.6509317 0.0717342 0.2542194 0.2967808 -0.7110647 10 O -0.9850196 -0.3452799 -0.0770633 -0.7505396 -1.6509317 -0.0717342 -0.2542194 -0.2967808 -0.7110647 11 O -0.7783664 0.0000000 -0.7776129 0.0000000 -0.7304056 0.0000000 -0.2193080 0.0000000 -1.7177422 12 O -0.9850196 0.3452799 0.0770633 0.7505396 -1.6509317 -0.0717342 0.2542194 -0.2967808 -0.7110647 13 O -0.7783664 0.0000000 -0.7776129 0.0000000 -0.7304056 0.0000000 -0.2193080 0.0000000 -1.7177422 14 O -0.9850196 0.3452799 -0.0770633 0.7505396 -1.6509317 0.0717342 -0.2542194 0.2967808 -0.7110647 15 O -0.7783664 0.0000000 0.7776129 0.0000000 -0.7304056 0.0000000 0.2193080 0.0000000 -1.7177422 16 O -0.9850196 0.3452799 0.0770633 0.7505396 -1.6509317 -0.0717342 0.2542194 -0.2967808 -0.7110647 17 O -0.7783664 0.0000000 0.7776129 0.0000000 -0.7304056 0.0000000 0.2193080 0.0000000 -1.7177422 18 O -0.9850196 -0.3452799 -0.0770633 -0.7505396 -1.6509317 -0.0717342 -0.2542194 -0.2967808 -0.7110647 19 O -0.9850196 0.3452799 -0.0770633 0.7505396 -1.6509317 0.0717342 -0.2542194 0.2967808 -0.7110647 20 O -0.9850196 -0.3452799 0.0770633 -0.7505396 -1.6509317 0.0717342 0.2542194 0.2967808 -0.7110647 ---------------------------------------------------------------------------- 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[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 12:24:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 12:24:29]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 13.398117400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.622653830000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.666285820000001 Atomic positions (fractional): 1 K 0.35323581070784 0.25000000000000 0.99872495292479 39.098 2 K 0.64676418929216 0.75000000000000 0.00127504707521 39.098 3 K 0.14676418929216 0.75000000000000 0.49872495292479 39.098 4 K 0.85323581070784 0.25000000000000 0.50127504707521 39.098 5 Cl 0.41228813025927 0.75000000000000 0.53737757634324 35.453 6 Cl 0.91228813025927 0.75000000000000 0.96262242365676 35.453 7 Cl 0.08771186974073 0.25000000000000 0.03737757634324 35.453 8 Cl 0.58771186974073 0.25000000000000 0.46262242365676 35.453 9 O 0.84702285825144 0.53622184704872 0.00417707076420 15.999 10 O 0.34702285825144 0.53622184704872 0.49582292923580 15.999 11 O 0.55663447027483 0.25000000000000 0.15449855538543 15.999 12 O 0.84702285825144 0.96377815295128 0.00417707076420 15.999 13 O 0.44336552972517 0.75000000000000 0.84550144461457 15.999 14 O 0.65297714174856 0.03622184704872 0.50417707076420 15.999 15 O 0.05663447027483 0.25000000000000 0.34550144461457 15.999 16 O 0.15297714174856 0.03622184704872 0.99582292923580 15.999 17 O 0.94336552972517 0.75000000000000 0.65449855538543 15.999 18 O 0.65297714174856 0.46377815295128 0.50417707076420 15.999 19 O 0.34702285825144 0.96377815295128 0.49582292923580 15.999 20 O 0.15297714174856 0.46377815295128 0.99582292923580 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.398117400000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.245307660000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.998857460000002 Atomic positions (fractional): 1 K 0.35323581070784 0.12500000000000 0.33290831764160 39.098 > 1 2 K 0.35323581070784 0.62500000000000 0.33290831764160 39.098 > 1 3 K 0.35323581070784 0.12500000000000 0.66624165097493 39.098 > 1 4 K 0.35323581070784 0.62500000000000 0.66624165097493 39.098 > 1 5 K 0.35323581070784 0.12500000000000 0.99957498430826 39.098 > 1 6 K 0.35323581070784 0.62500000000000 0.99957498430826 39.098 > 1 7 K 0.64676418929216 0.37500000000000 0.00042501569174 39.098 > 7 8 K 0.64676418929216 0.87500000000000 0.00042501569174 39.098 > 7 9 K 0.64676418929216 0.37500000000000 0.33375834902507 39.098 > 7 10 K 0.64676418929216 0.87500000000000 0.33375834902507 39.098 > 7 11 K 0.64676418929216 0.37500000000000 0.66709168235840 39.098 > 7 12 K 0.64676418929216 0.87500000000000 0.66709168235840 39.098 > 7 13 K 0.14676418929216 0.37500000000000 0.16624165097493 39.098 > 13 14 K 0.14676418929216 0.87500000000000 0.16624165097493 39.098 > 13 15 K 0.14676418929216 0.37500000000000 0.49957498430826 39.098 > 13 16 K 0.14676418929216 0.87500000000000 0.49957498430826 39.098 > 13 17 K 0.14676418929216 0.37500000000000 0.83290831764160 39.098 > 13 18 K 0.14676418929216 0.87500000000000 0.83290831764160 39.098 > 13 19 K 0.85323581070784 0.12500000000000 0.16709168235840 39.098 > 19 20 K 0.85323581070784 0.62500000000000 0.16709168235840 39.098 > 19 21 K 0.85323581070784 0.12500000000000 0.50042501569174 39.098 > 19 22 K 0.85323581070784 0.62500000000000 0.50042501569174 39.098 > 19 23 K 0.85323581070784 0.12500000000000 0.83375834902507 39.098 > 19 24 K 0.85323581070784 0.62500000000000 0.83375834902507 39.098 > 19 25 Cl 0.41228813025927 0.37500000000000 0.17912585878108 35.453 > 25 26 Cl 0.41228813025927 0.87500000000000 0.17912585878108 35.453 > 25 27 Cl 0.41228813025927 0.37500000000000 0.51245919211441 35.453 > 25 28 Cl 0.41228813025927 0.87500000000000 0.51245919211441 35.453 > 25 29 Cl 0.41228813025927 0.37500000000000 0.84579252544775 35.453 > 25 30 Cl 0.41228813025927 0.87500000000000 0.84579252544775 35.453 > 25 31 Cl 0.91228813025927 0.37500000000000 0.32087414121892 35.453 > 31 32 Cl 0.91228813025927 0.87500000000000 0.32087414121892 35.453 > 31 33 Cl 0.91228813025927 0.37500000000000 0.65420747455225 35.453 > 31 34 Cl 0.91228813025927 0.87500000000000 0.65420747455225 35.453 > 31 35 Cl 0.91228813025927 0.37500000000000 0.98754080788559 35.453 > 31 36 Cl 0.91228813025927 0.87500000000000 0.98754080788559 35.453 > 31 37 Cl 0.08771186974073 0.12500000000000 0.01245919211441 35.453 > 37 38 Cl 0.08771186974073 0.62500000000000 0.01245919211441 35.453 > 37 39 Cl 0.08771186974073 0.12500000000000 0.34579252544775 35.453 > 37 40 Cl 0.08771186974073 0.62500000000000 0.34579252544775 35.453 > 37 41 Cl 0.08771186974073 0.12500000000000 0.67912585878108 35.453 > 37 42 Cl 0.08771186974073 0.62500000000000 0.67912585878108 35.453 > 37 43 Cl 0.58771186974073 0.12500000000000 0.15420747455225 35.453 > 43 44 Cl 0.58771186974073 0.62500000000000 0.15420747455225 35.453 > 43 45 Cl 0.58771186974073 0.12500000000000 0.48754080788559 35.453 > 43 46 Cl 0.58771186974073 0.62500000000000 0.48754080788559 35.453 > 43 47 Cl 0.58771186974073 0.12500000000000 0.82087414121892 35.453 > 43 48 Cl 0.58771186974073 0.62500000000000 0.82087414121892 35.453 > 43 49 O 0.84702285825144 0.26811092352436 0.00139235692140 15.999 > 49 50 O 0.84702285825144 0.76811092352436 0.00139235692140 15.999 > 49 51 O 0.84702285825144 0.26811092352436 0.33472569025473 15.999 > 49 52 O 0.84702285825144 0.76811092352436 0.33472569025473 15.999 > 49 53 O 0.84702285825144 0.26811092352436 0.66805902358807 15.999 > 49 54 O 0.84702285825144 0.76811092352436 0.66805902358807 15.999 > 49 55 O 0.34702285825144 0.26811092352436 0.16527430974527 15.999 > 55 56 O 0.34702285825144 0.76811092352436 0.16527430974527 15.999 > 55 57 O 0.34702285825144 0.26811092352436 0.49860764307860 15.999 > 55 58 O 0.34702285825144 0.76811092352436 0.49860764307860 15.999 > 55 59 O 0.34702285825144 0.26811092352436 0.83194097641193 15.999 > 55 60 O 0.34702285825144 0.76811092352436 0.83194097641193 15.999 > 55 61 O 0.55663447027483 0.12500000000000 0.05149951846181 15.999 > 61 62 O 0.55663447027483 0.62500000000000 0.05149951846181 15.999 > 61 63 O 0.55663447027483 0.12500000000000 0.38483285179514 15.999 > 61 64 O 0.55663447027483 0.62500000000000 0.38483285179514 15.999 > 61 65 O 0.55663447027483 0.12500000000000 0.71816618512848 15.999 > 61 66 O 0.55663447027483 0.62500000000000 0.71816618512848 15.999 > 61 67 O 0.84702285825144 0.48188907647564 0.00139235692140 15.999 > 67 68 O 0.84702285825144 0.98188907647564 0.00139235692140 15.999 > 67 69 O 0.84702285825144 0.48188907647564 0.33472569025473 15.999 > 67 70 O 0.84702285825144 0.98188907647564 0.33472569025473 15.999 > 67 71 O 0.84702285825144 0.48188907647564 0.66805902358807 15.999 > 67 72 O 0.84702285825144 0.98188907647564 0.66805902358807 15.999 > 67 73 O 0.44336552972517 0.37500000000000 0.28183381487152 15.999 > 73 74 O 0.44336552972517 0.87500000000000 0.28183381487152 15.999 > 73 75 O 0.44336552972517 0.37500000000000 0.61516714820486 15.999 > 73 76 O 0.44336552972517 0.87500000000000 0.61516714820486 15.999 > 73 77 O 0.44336552972517 0.37500000000000 0.94850048153819 15.999 > 73 78 O 0.44336552972517 0.87500000000000 0.94850048153819 15.999 > 73 79 O 0.65297714174856 0.01811092352436 0.16805902358807 15.999 > 79 80 O 0.65297714174856 0.51811092352436 0.16805902358807 15.999 > 79 81 O 0.65297714174856 0.01811092352436 0.50139235692140 15.999 > 79 82 O 0.65297714174856 0.51811092352436 0.50139235692140 15.999 > 79 83 O 0.65297714174856 0.01811092352436 0.83472569025473 15.999 > 79 84 O 0.65297714174856 0.51811092352436 0.83472569025473 15.999 > 79 85 O 0.05663447027483 0.12500000000000 0.11516714820486 15.999 > 85 86 O 0.05663447027483 0.62500000000000 0.11516714820486 15.999 > 85 87 O 0.05663447027483 0.12500000000000 0.44850048153819 15.999 > 85 88 O 0.05663447027483 0.62500000000000 0.44850048153819 15.999 > 85 89 O 0.05663447027483 0.12500000000000 0.78183381487152 15.999 > 85 90 O 0.05663447027483 0.62500000000000 0.78183381487152 15.999 > 85 91 O 0.15297714174856 0.01811092352436 0.33194097641193 15.999 > 91 92 O 0.15297714174856 0.51811092352436 0.33194097641193 15.999 > 91 93 O 0.15297714174856 0.01811092352436 0.66527430974527 15.999 > 91 94 O 0.15297714174856 0.51811092352436 0.66527430974527 15.999 > 91 95 O 0.15297714174856 0.01811092352436 0.99860764307860 15.999 > 91 96 O 0.15297714174856 0.51811092352436 0.99860764307860 15.999 > 91 97 O 0.94336552972517 0.37500000000000 0.21816618512848 15.999 > 97 98 O 0.94336552972517 0.87500000000000 0.21816618512848 15.999 > 97 99 O 0.94336552972517 0.37500000000000 0.55149951846181 15.999 > 97 100 O 0.94336552972517 0.87500000000000 0.55149951846181 15.999 > 97 101 O 0.94336552972517 0.37500000000000 0.88483285179514 15.999 > 97 102 O 0.94336552972517 0.87500000000000 0.88483285179514 15.999 > 97 103 O 0.65297714174856 0.23188907647564 0.16805902358807 15.999 > 103 104 O 0.65297714174856 0.73188907647564 0.16805902358807 15.999 > 103 105 O 0.65297714174856 0.23188907647564 0.50139235692140 15.999 > 103 106 O 0.65297714174856 0.73188907647564 0.50139235692140 15.999 > 103 107 O 0.65297714174856 0.23188907647564 0.83472569025473 15.999 > 103 108 O 0.65297714174856 0.73188907647564 0.83472569025473 15.999 > 103 109 O 0.34702285825144 0.48188907647564 0.16527430974527 15.999 > 109 110 O 0.34702285825144 0.98188907647564 0.16527430974527 15.999 > 109 111 O 0.34702285825144 0.48188907647564 0.49860764307860 15.999 > 109 112 O 0.34702285825144 0.98188907647564 0.49860764307860 15.999 > 109 113 O 0.34702285825144 0.48188907647564 0.83194097641193 15.999 > 109 114 O 0.34702285825144 0.98188907647564 0.83194097641193 15.999 > 109 115 O 0.15297714174856 0.23188907647564 0.33194097641193 15.999 > 115 116 O 0.15297714174856 0.73188907647564 0.33194097641193 15.999 > 115 117 O 0.15297714174856 0.23188907647564 0.66527430974527 15.999 > 115 118 O 0.15297714174856 0.73188907647564 0.66527430974527 15.999 > 115 119 O 0.15297714174856 0.23188907647564 0.99860764307860 15.999 > 115 120 O 0.15297714174856 0.73188907647564 0.99860764307860 15.999 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.1805995 0.0000000 0.0000000 0.0000000 2.4115855 0.0000000 0.0000000 0.0000000 2.2656773 -------------------------- Born effective charges -------------------------- 1 K 1.2124121 0.0000000 0.0379521 0.0000000 1.2314207 0.0000000 -0.0438748 0.0000000 1.2011049 2 K 1.2124121 0.0000000 0.0379521 0.0000000 1.2314207 0.0000000 -0.0438748 0.0000000 1.2011049 3 K 1.2124121 0.0000000 -0.0379521 0.0000000 1.2314207 0.0000000 0.0438748 0.0000000 1.2011049 4 K 1.2124121 0.0000000 -0.0379521 0.0000000 1.2314207 0.0000000 0.0438748 0.0000000 1.2011049 5 Cl 1.5359935 0.0000000 0.8964908 0.0000000 2.8008484 0.0000000 0.7528067 0.0000000 1.9387666 6 Cl 1.5359935 0.0000000 -0.8964908 0.0000000 2.8008484 0.0000000 -0.7528067 0.0000000 1.9387666 7 Cl 1.5359935 0.0000000 -0.8964908 0.0000000 2.8008484 0.0000000 -0.7528067 0.0000000 1.9387666 8 Cl 1.5359935 0.0000000 0.8964908 0.0000000 2.8008484 0.0000000 0.7528067 0.0000000 1.9387666 9 O -0.9850196 -0.3452799 0.0770633 -0.7505396 -1.6509317 0.0717342 0.2542194 0.2967808 -0.7110647 10 O -0.9850196 -0.3452799 -0.0770633 -0.7505396 -1.6509317 -0.0717342 -0.2542194 -0.2967808 -0.7110647 11 O -0.7783664 0.0000000 -0.7776129 0.0000000 -0.7304056 0.0000000 -0.2193080 0.0000000 -1.7177422 12 O -0.9850196 0.3452799 0.0770633 0.7505396 -1.6509317 -0.0717342 0.2542194 -0.2967808 -0.7110647 13 O -0.7783664 0.0000000 -0.7776129 0.0000000 -0.7304056 0.0000000 -0.2193080 0.0000000 -1.7177422 14 O -0.9850196 0.3452799 -0.0770633 0.7505396 -1.6509317 0.0717342 -0.2542194 0.2967808 -0.7110647 15 O -0.7783664 0.0000000 0.7776129 0.0000000 -0.7304056 0.0000000 0.2193080 0.0000000 -1.7177422 16 O -0.9850196 0.3452799 0.0770633 0.7505396 -1.6509317 -0.0717342 0.2542194 -0.2967808 -0.7110647 17 O -0.7783664 0.0000000 0.7776129 0.0000000 -0.7304056 0.0000000 0.2193080 0.0000000 -1.7177422 18 O -0.9850196 -0.3452799 -0.0770633 -0.7505396 -1.6509317 -0.0717342 -0.2542194 -0.2967808 -0.7110647 19 O -0.9850196 0.3452799 -0.0770633 0.7505396 -1.6509317 0.0717342 -0.2542194 0.2967808 -0.7110647 20 O -0.9850196 -0.3452799 0.0770633 -0.7505396 -1.6509317 0.0717342 0.2542194 0.2967808 -0.7110647 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xzx) -0.00000000 (xzx) -0.00000000 (xxz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 9 11 ] 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: 0.59, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.028 ( 0.000 0.000 0.000) 0.000 1.085 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.214 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.631 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 2.058 ( 0.000 0.000 0.000) 0.000 2.090 ( 0.000 0.000 0.000) 0.000 2.361 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.856 ( 0.000 0.000 0.000) 0.000 3.238 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 3.831 ( 0.000 0.000 0.000) 0.000 3.898 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.009 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.463 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.834 ( 0.000 0.000 0.000) 0.000 5.035 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 13.804 ( 0.000 0.000 0.000) 0.000 13.805 ( 0.000 0.000 0.000) 0.000 13.807 ( 0.000 0.000 0.000) 0.000 13.899 ( 0.000 0.000 0.000) 0.000 13.921 ( 0.000 0.000 0.000) 0.000 13.991 ( 0.000 0.000 0.000) 0.000 14.017 ( 0.000 0.000 0.000) 0.000 17.717 ( 0.000 0.000 0.000) 0.000 17.766 ( 0.000 0.000 0.000) 0.000 17.787 ( 0.000 0.000 0.000) 0.000 17.828 ( 0.000 0.000 0.000) 0.000 27.235 ( 0.000 0.000 0.000) 0.000 27.237 ( 0.000 0.000 0.000) 0.000 27.254 ( 0.000 0.000 0.000) 0.000 27.300 ( 0.000 0.000 0.000) 0.000 27.303 ( 0.000 0.000 0.000) 0.000 27.440 ( 0.000 0.000 0.000) 0.000 27.722 ( 0.000 0.000 0.000) 0.000 27.808 ( 0.000 0.000 0.000) 0.000 27.990 ( 0.000 0.000 0.000) 0.000 28.053 ( 0.000 0.000 0.000) 0.000 28.146 ( 0.000 0.000 0.000) 0.000 28.734 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 15.416 0.000 0.000) 15.416 0.323 ( 17.056 0.000 0.000) 17.056 0.599 ( 28.750 0.000 0.000) 28.750 0.827 ( -12.872 0.000 0.000) 12.872 0.968 ( -11.126 0.000 0.000) 11.126 1.267 ( 10.924 0.000 0.000) 10.924 1.424 ( 10.427 0.000 0.000) 10.427 1.485 ( 4.121 0.000 0.000) 4.121 1.566 ( -8.756 0.000 0.000) 8.756 1.586 ( -3.695 0.000 0.000) 3.695 1.751 ( -9.933 0.000 0.000) 9.933 1.840 ( -17.311 0.000 0.000) 17.311 2.182 ( 6.511 0.000 0.000) 6.511 2.343 ( -1.941 0.000 0.000) 1.941 2.505 ( 9.032 0.000 0.000) 9.032 2.768 ( 4.836 0.000 0.000) 4.836 2.876 ( 2.015 0.000 0.000) 2.015 3.075 ( -10.905 0.000 0.000) 10.905 3.337 ( 5.345 0.000 0.000) 5.345 3.422 ( 0.337 0.000 0.000) 0.337 3.455 ( -1.521 0.000 0.000) 1.521 3.545 ( 2.430 0.000 0.000) 2.430 3.622 ( -1.280 0.000 0.000) 1.280 3.628 ( -6.710 0.000 0.000) 6.710 3.751 ( 0.709 0.000 0.000) 0.709 3.794 ( -1.222 0.000 0.000) 1.222 3.846 ( 1.570 0.000 0.000) 1.570 3.898 ( -0.333 0.000 0.000) 0.333 3.952 ( 1.330 0.000 0.000) 1.330 4.001 ( -0.845 0.000 0.000) 0.845 4.292 ( 4.299 0.000 0.000) 4.299 4.437 ( -2.598 0.000 0.000) 2.598 4.648 ( 2.179 0.000 0.000) 2.179 4.733 ( -1.778 0.000 0.000) 1.778 5.086 ( 5.038 0.000 0.000) 5.038 5.302 ( -4.151 0.000 0.000) 4.151 13.804 ( 0.002 0.000 0.000) 0.002 13.804 ( -0.005 0.000 0.000) 0.005 13.806 ( 0.029 0.000 0.000) 0.029 13.807 ( -0.026 0.000 0.000) 0.026 13.902 ( 0.240 0.000 0.000) 0.240 13.916 ( -0.419 0.000 0.000) 0.419 14.026 ( 0.852 0.000 0.000) 0.852 14.062 ( -0.678 0.000 0.000) 0.678 17.769 ( 0.263 0.000 0.000) 0.263 17.783 ( -0.372 0.000 0.000) 0.372 17.832 ( 0.364 0.000 0.000) 0.364 17.846 ( -0.252 0.000 0.000) 0.252 27.237 ( 0.004 0.000 0.000) 0.004 27.237 ( -0.009 0.000 0.000) 0.009 27.275 ( 2.215 0.000 0.000) 2.215 27.301 ( 0.049 0.000 0.000) 0.049 27.303 ( -0.041 0.000 0.000) 0.041 27.403 ( -3.457 0.000 0.000) 3.457 27.844 ( 3.389 0.000 0.000) 3.389 27.969 ( -2.147 0.000 0.000) 2.147 28.066 ( 1.324 0.000 0.000) 1.324 28.132 ( -1.461 0.000 0.000) 1.461 28.740 ( 0.546 0.000 0.000) 0.546 28.762 ( -0.412 0.000 0.000) 0.412 ======================= Grid point 2 (3/90) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -14.415 0.000 0.000) 14.415 0.571 ( 14.415 0.000 0.000) 14.415 0.628 ( -15.071 0.000 0.000) 15.071 0.628 ( 15.071 0.000 0.000) 15.071 1.217 ( -26.241 0.000 0.000) 26.241 1.217 ( 26.241 0.000 0.000) 26.241 1.464 ( -9.506 0.000 0.000) 9.506 1.464 ( 9.506 0.000 0.000) 9.506 1.586 ( -6.828 0.000 0.000) 6.828 1.586 ( 6.828 0.000 0.000) 6.828 1.601 ( -9.164 0.000 0.000) 9.164 1.601 ( 9.164 0.000 0.000) 9.164 2.286 ( -4.334 0.000 0.000) 4.334 2.286 ( 4.334 0.000 0.000) 4.334 2.711 ( -10.682 0.000 0.000) 10.682 2.711 ( 10.682 0.000 0.000) 10.682 2.927 ( -3.849 0.000 0.000) 3.849 2.927 ( 3.849 0.000 0.000) 3.849 3.433 ( -0.853 0.000 0.000) 0.853 3.433 ( 0.853 0.000 0.000) 0.853 3.474 ( -8.830 0.000 0.000) 8.830 3.474 ( 8.830 0.000 0.000) 8.830 3.590 ( -2.163 0.000 0.000) 2.163 3.590 ( 2.163 0.000 0.000) 2.163 3.770 ( -1.243 0.000 0.000) 1.243 3.770 ( 1.243 0.000 0.000) 1.243 3.879 ( -1.596 0.000 0.000) 1.596 3.879 ( 1.596 0.000 0.000) 1.596 3.979 ( -1.423 0.000 0.000) 1.423 3.979 ( 1.423 0.000 0.000) 1.423 4.374 ( -4.056 0.000 0.000) 4.056 4.374 ( 4.056 0.000 0.000) 4.056 4.693 ( -2.427 0.000 0.000) 2.427 4.693 ( 2.427 0.000 0.000) 2.427 5.199 ( -6.384 0.000 0.000) 6.384 5.199 ( 6.384 0.000 0.000) 6.384 13.804 ( -0.003 0.000 0.000) 0.003 13.804 ( 0.003 0.000 0.000) 0.003 13.806 ( -0.038 0.000 0.000) 0.038 13.806 ( 0.038 0.000 0.000) 0.038 13.908 ( -0.432 0.000 0.000) 0.432 13.908 ( 0.432 0.000 0.000) 0.432 14.045 ( -1.048 0.000 0.000) 1.048 14.045 ( 1.048 0.000 0.000) 1.048 17.776 ( -0.423 0.000 0.000) 0.423 17.776 ( 0.423 0.000 0.000) 0.423 17.839 ( -0.409 0.000 0.000) 0.409 17.839 ( 0.409 0.000 0.000) 0.409 27.237 ( -0.009 0.000 0.000) 0.009 27.237 ( 0.009 0.000 0.000) 0.009 27.302 ( -0.064 0.000 0.000) 0.064 27.302 ( 0.064 0.000 0.000) 0.064 27.332 ( -3.725 0.000 0.000) 3.725 27.332 ( 3.725 0.000 0.000) 3.725 27.914 ( -3.629 0.000 0.000) 3.629 27.914 ( 3.629 0.000 0.000) 3.629 28.098 ( -1.960 0.000 0.000) 1.960 28.098 ( 1.960 0.000 0.000) 1.960 28.752 ( -0.667 0.000 0.000) 0.667 28.752 ( 0.667 0.000 0.000) 0.667 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.284 ( 0.000 14.686 0.000) 14.686 0.481 ( 0.000 25.349 0.000) 25.349 0.764 ( 0.000 35.830 0.000) 35.830 1.083 ( 0.000 5.237 0.000) 5.237 1.246 ( 0.000 5.774 0.000) 5.774 1.299 ( 0.000 8.447 0.000) 8.447 1.340 ( 0.000 19.032 0.000) 19.032 1.469 ( 0.000 5.120 0.000) 5.120 1.654 ( 0.000 2.417 0.000) 2.417 1.742 ( 0.000 9.580 0.000) 9.580 2.091 ( 0.000 2.730 0.000) 2.730 2.101 ( 0.000 4.423 0.000) 4.423 2.165 ( 0.000 8.730 0.000) 8.730 2.383 ( 0.000 -2.496 0.000) 2.496 2.415 ( 0.000 5.080 0.000) 5.080 2.681 ( 0.000 0.781 0.000) 0.781 2.781 ( 0.000 -6.374 0.000) 6.374 3.120 ( 0.000 -7.281 0.000) 7.281 3.226 ( 0.000 -0.350 0.000) 0.350 3.442 ( 0.000 -4.208 0.000) 4.208 3.503 ( 0.000 1.105 0.000) 1.105 3.563 ( 0.000 -15.548 0.000) 15.548 3.568 ( 0.000 -6.342 0.000) 6.342 3.666 ( 0.000 2.004 0.000) 2.004 3.701 ( 0.000 6.067 0.000) 6.067 3.779 ( 0.000 5.049 0.000) 5.049 3.804 ( 0.000 0.965 0.000) 0.965 3.906 ( 0.000 1.364 0.000) 1.364 4.027 ( 0.000 6.267 0.000) 6.267 4.241 ( 0.000 -0.410 0.000) 0.410 4.273 ( 0.000 14.950 0.000) 14.950 4.449 ( 0.000 -1.342 0.000) 1.342 4.775 ( 0.000 2.114 0.000) 2.114 4.815 ( 0.000 -1.832 0.000) 1.832 4.936 ( 0.000 -5.102 0.000) 5.102 5.017 ( 0.000 -1.817 0.000) 1.817 13.800 ( 0.000 -0.549 0.000) 0.549 13.805 ( 0.000 0.048 0.000) 0.048 13.805 ( 0.000 0.136 0.000) 0.136 13.899 ( 0.000 -0.087 0.000) 0.087 13.920 ( 0.000 -0.053 0.000) 0.053 13.926 ( 0.000 0.148 0.000) 0.148 13.987 ( 0.000 -0.382 0.000) 0.382 14.019 ( 0.000 -0.054 0.000) 0.054 17.716 ( 0.000 -0.080 0.000) 0.080 17.764 ( 0.000 -0.232 0.000) 0.232 17.783 ( 0.000 -0.413 0.000) 0.413 17.812 ( 0.000 -1.438 0.000) 1.438 27.197 ( 0.000 -3.334 0.000) 3.334 27.230 ( 0.000 -0.429 0.000) 0.429 27.294 ( 0.000 -0.610 0.000) 0.610 27.299 ( 0.000 -0.395 0.000) 0.395 27.426 ( 0.000 -1.057 0.000) 1.057 27.656 ( 0.000 -4.229 0.000) 4.229 27.776 ( 0.000 -2.887 0.000) 2.887 28.020 ( 0.000 -3.250 0.000) 3.250 28.143 ( 0.000 12.746 0.000) 12.746 28.274 ( 0.000 11.768 0.000) 11.768 28.849 ( 0.000 9.995 0.000) 9.995 29.566 ( 0.000 -1.117 0.000) 1.117 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.25 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.447 ( 12.764 11.189 0.000) 16.973 0.571 ( 8.511 20.842 0.000) 22.513 0.936 ( 13.012 24.547 0.000) 27.782 0.951 ( -10.797 8.663 0.000) 13.843 1.059 ( -7.120 11.161 0.000) 13.239 1.439 ( 8.036 11.438 0.000) 13.979 1.474 ( 9.360 5.848 0.000) 11.037 1.529 ( 5.615 8.867 0.000) 10.495 1.601 ( -6.455 3.801 0.000) 7.491 1.723 ( -2.575 9.734 0.000) 10.069 1.885 ( -13.590 9.475 0.000) 16.567 1.916 ( -15.485 7.784 0.000) 17.331 2.263 ( 5.590 7.509 0.000) 9.361 2.399 ( -1.605 5.075 0.000) 5.323 2.467 ( 8.580 -3.161 0.000) 9.144 2.742 ( 2.692 -1.833 0.000) 3.257 2.782 ( 1.055 -6.961 0.000) 7.041 2.983 ( -10.910 -7.085 0.000) 13.008 3.306 ( 6.261 -0.201 0.000) 6.265 3.446 ( 0.379 -3.552 0.000) 3.572 3.478 ( -1.483 -1.662 0.000) 2.228 3.546 ( -3.235 -5.922 0.000) 6.748 3.613 ( 3.826 -11.848 0.000) 12.450 3.659 ( -2.085 6.893 0.000) 7.201 3.664 ( 0.046 2.860 0.000) 2.860 3.778 ( -1.457 -0.333 0.000) 1.495 3.779 ( 0.071 4.317 0.000) 4.318 3.839 ( -5.571 1.061 0.000) 5.671 4.069 ( 3.518 6.187 0.000) 7.117 4.186 ( -3.108 6.766 0.000) 7.445 4.342 ( 4.260 6.191 0.000) 7.515 4.448 ( -0.924 -0.365 0.000) 0.994 4.714 ( -1.873 2.998 0.000) 3.535 4.754 ( -1.862 1.673 0.000) 2.504 5.069 ( 4.754 -1.837 0.000) 5.096 5.142 ( 6.780 -10.626 0.000) 12.605 13.802 ( 0.258 -0.290 0.000) 0.388 13.805 ( -0.002 0.046 0.000) 0.046 13.806 ( 0.092 0.169 0.000) 0.193 13.852 ( -3.276 2.360 0.000) 4.038 13.902 ( 0.254 -0.031 0.000) 0.256 13.916 ( -0.378 -0.029 0.000) 0.379 14.026 ( 0.629 -0.219 0.000) 0.666 14.033 ( 1.339 -1.751 0.000) 2.204 17.764 ( 1.154 -1.294 0.000) 1.734 17.771 ( 2.276 -2.245 0.000) 3.197 17.780 ( -0.345 -0.384 0.000) 0.516 17.812 ( -0.065 -1.715 0.000) 1.716 27.198 ( 0.146 -2.929 0.000) 2.933 27.224 ( -0.686 -0.544 0.000) 0.876 27.295 ( 0.110 -0.543 0.000) 0.554 27.299 ( -0.046 -0.399 0.000) 0.402 27.412 ( -0.998 0.371 0.000) 1.065 27.518 ( -9.710 5.028 0.000) 10.935 27.814 ( 3.657 -2.827 0.000) 4.623 27.978 ( -3.886 -1.798 0.000) 4.282 28.156 ( 1.833 11.403 0.000) 11.550 28.253 ( -2.114 11.383 0.000) 11.578 28.870 ( 2.384 11.206 0.000) 11.457 29.179 ( -20.864 20.997 0.000) 29.601 ======================= Grid point 7 (6/90) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -7.540 12.273 0.000) 14.404 0.669 ( 7.540 12.273 0.000) 14.404 0.825 ( -6.456 12.189 0.000) 13.794 0.825 ( 6.456 12.189 0.000) 13.794 1.347 ( -19.882 12.246 0.000) 23.351 1.347 ( 19.882 12.246 0.000) 23.351 1.594 ( -2.589 8.291 0.000) 8.686 1.594 ( 2.589 8.291 0.000) 8.686 1.633 ( -5.578 5.487 0.000) 7.825 1.633 ( 5.578 5.487 0.000) 7.825 1.709 ( -0.927 13.205 0.000) 13.237 1.709 ( 0.927 13.205 0.000) 13.237 2.351 ( -3.665 6.308 0.000) 7.295 2.351 ( 3.665 6.308 0.000) 7.295 2.668 ( -10.868 -3.653 0.000) 11.465 2.668 ( 10.868 -3.653 0.000) 11.465 2.826 ( -3.958 -7.556 0.000) 8.530 2.826 ( 3.958 -7.556 0.000) 8.530 3.440 ( -7.120 -2.578 0.000) 7.572 3.440 ( 7.120 -2.578 0.000) 7.572 3.457 ( -0.624 -1.505 0.000) 1.629 3.457 ( 0.624 -1.505 0.000) 1.629 3.647 ( -0.029 0.566 0.000) 0.566 3.647 ( 0.029 0.566 0.000) 0.566 3.711 ( -4.899 -3.677 0.000) 6.125 3.711 ( 4.899 -3.677 0.000) 6.125 3.784 ( -0.625 2.774 0.000) 2.844 3.784 ( 0.625 2.774 0.000) 2.844 4.131 ( -2.991 7.055 0.000) 7.663 4.131 ( 2.991 7.055 0.000) 7.663 4.411 ( -2.948 2.498 0.000) 3.864 4.411 ( 2.948 2.498 0.000) 3.864 4.719 ( -1.519 1.853 0.000) 2.396 4.719 ( 1.519 1.853 0.000) 2.396 5.156 ( -3.451 -4.323 0.000) 5.532 5.156 ( 3.451 -4.323 0.000) 5.532 13.804 ( -0.018 0.026 0.000) 0.032 13.804 ( 0.018 0.026 0.000) 0.032 13.816 ( -1.060 0.845 0.000) 1.355 13.816 ( 1.060 0.845 0.000) 1.355 13.908 ( -0.429 -0.013 0.000) 0.429 13.908 ( 0.429 -0.013 0.000) 0.429 14.037 ( -0.454 -0.754 0.000) 0.880 14.037 ( 0.454 -0.754 0.000) 0.880 17.772 ( -0.403 -0.343 0.000) 0.529 17.772 ( 0.403 -0.343 0.000) 0.529 17.805 ( -0.896 -2.589 0.000) 2.740 17.805 ( 0.896 -2.589 0.000) 2.740 27.207 ( -0.899 -1.492 0.000) 1.742 27.207 ( 0.899 -1.492 0.000) 1.742 27.297 ( -0.131 -0.434 0.000) 0.453 27.297 ( 0.131 -0.434 0.000) 0.453 27.412 ( -1.832 3.804 0.000) 4.222 27.412 ( 1.832 3.804 0.000) 4.222 27.896 ( -4.674 -2.225 0.000) 5.176 27.896 ( 4.674 -2.225 0.000) 5.176 28.203 ( -2.898 10.772 0.000) 11.155 28.203 ( 2.898 10.772 0.000) 11.155 28.948 ( -6.601 15.422 0.000) 16.775 28.948 ( 6.601 15.422 0.000) 16.775 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 15.794 0.000) 15.794 0.979 ( 0.000 24.448 0.000) 24.448 1.212 ( 0.000 7.095 0.000) 7.095 1.250 ( 0.000 12.119 0.000) 12.119 1.458 ( 0.000 1.465 0.000) 1.465 1.526 ( 0.000 13.779 0.000) 13.779 1.560 ( 0.000 25.928 0.000) 25.928 1.738 ( 0.000 6.399 0.000) 6.399 1.873 ( 0.000 24.634 0.000) 24.634 1.879 ( 0.000 3.543 0.000) 3.543 2.069 ( 0.000 -6.100 0.000) 6.100 2.204 ( 0.000 4.583 0.000) 4.583 2.405 ( 0.000 6.000 0.000) 6.000 2.458 ( 0.000 18.895 0.000) 18.895 2.559 ( 0.000 9.740 0.000) 9.740 2.651 ( 0.000 -5.850 0.000) 5.850 2.708 ( 0.000 1.910 0.000) 1.910 3.025 ( 0.000 -2.136 0.000) 2.136 3.231 ( 0.000 -5.066 0.000) 5.066 3.291 ( 0.000 -5.474 0.000) 5.474 3.316 ( 0.000 -6.931 0.000) 6.931 3.419 ( 0.000 -7.924 0.000) 7.924 3.455 ( 0.000 -5.245 0.000) 5.245 3.700 ( 0.000 0.850 0.000) 0.850 3.778 ( 0.000 0.973 0.000) 0.973 3.838 ( 0.000 1.931 0.000) 1.931 3.911 ( 0.000 5.767 0.000) 5.767 3.986 ( 0.000 6.588 0.000) 6.588 4.136 ( 0.000 4.406 0.000) 4.406 4.235 ( 0.000 0.571 0.000) 0.571 4.419 ( 0.000 -1.491 0.000) 1.491 4.505 ( 0.000 8.122 0.000) 8.122 4.764 ( 0.000 -3.263 0.000) 3.263 4.787 ( 0.000 -9.904 0.000) 9.904 4.819 ( 0.000 1.835 0.000) 1.835 4.961 ( 0.000 -3.928 0.000) 3.928 13.795 ( 0.000 0.286 0.000) 0.286 13.807 ( 0.000 0.273 0.000) 0.273 13.811 ( 0.000 0.499 0.000) 0.499 13.894 ( 0.000 -0.412 0.000) 0.412 13.918 ( 0.000 -0.256 0.000) 0.256 13.930 ( 0.000 0.299 0.000) 0.299 13.977 ( 0.000 -0.540 0.000) 0.540 14.007 ( 0.000 -1.241 0.000) 1.241 17.715 ( 0.000 -0.018 0.000) 0.018 17.757 ( 0.000 -0.453 0.000) 0.453 17.772 ( 0.000 -0.739 0.000) 0.739 17.779 ( 0.000 -1.713 0.000) 1.713 27.141 ( 0.000 -1.654 0.000) 1.654 27.223 ( 0.000 -0.189 0.000) 0.189 27.278 ( 0.000 -0.932 0.000) 0.932 27.288 ( 0.000 -0.697 0.000) 0.697 27.410 ( 0.000 -0.441 0.000) 0.441 27.595 ( 0.000 -1.753 0.000) 1.753 27.702 ( 0.000 -4.482 0.000) 4.482 27.932 ( 0.000 -5.389 0.000) 5.389 28.435 ( 0.000 16.102 0.000) 16.102 28.558 ( 0.000 15.702 0.000) 15.702 29.056 ( 0.000 9.522 0.000) 9.522 29.527 ( 0.000 -3.022 0.000) 3.022 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.25 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 9.957 13.221 0.000) 16.551 1.021 ( 4.325 23.011 0.000) 23.414 1.115 ( -9.298 8.181 0.000) 12.385 1.240 ( -3.424 12.619 0.000) 13.076 1.451 ( 1.267 17.463 0.000) 17.509 1.514 ( 5.603 1.449 0.000) 5.787 1.677 ( -5.052 5.935 0.000) 7.794 1.719 ( 9.586 19.310 0.000) 21.558 1.806 ( -6.639 0.216 0.000) 6.643 1.955 ( 6.344 23.912 0.000) 24.739 2.116 ( -8.699 10.555 0.000) 13.678 2.116 ( 1.878 8.111 0.000) 8.326 2.398 ( 3.167 3.948 0.000) 5.061 2.507 ( 2.342 12.038 0.000) 12.263 2.515 ( -2.072 6.243 0.000) 6.578 2.654 ( 1.566 -5.004 0.000) 5.243 2.729 ( -1.429 -0.020 0.000) 1.429 2.871 ( -11.120 -2.219 0.000) 11.340 3.286 ( 0.293 -9.365 0.000) 9.369 3.314 ( -0.294 -7.345 0.000) 7.350 3.346 ( 6.935 0.059 0.000) 6.935 3.447 ( -0.811 -4.948 0.000) 5.014 3.453 ( 4.084 -7.016 0.000) 8.118 3.695 ( -0.178 0.452 0.000) 0.485 3.718 ( -5.818 0.087 0.000) 5.818 3.780 ( -4.575 0.606 0.000) 4.615 3.916 ( 0.454 6.691 0.000) 6.707 3.960 ( -2.361 8.453 0.000) 8.777 4.173 ( 3.451 4.043 0.000) 5.316 4.237 ( 0.084 1.116 0.000) 1.119 4.431 ( 1.119 -0.916 0.000) 1.446 4.492 ( -1.354 6.870 0.000) 7.003 4.723 ( -0.581 -1.654 0.000) 1.753 4.776 ( -3.067 0.094 0.000) 3.068 4.931 ( 8.553 -11.122 0.000) 14.030 5.008 ( 3.186 -4.470 0.000) 5.489 13.801 ( 0.504 0.298 0.000) 0.585 13.807 ( -0.018 0.263 0.000) 0.264 13.814 ( 0.461 0.724 0.000) 0.859 13.885 ( -2.967 1.247 0.000) 3.218 13.898 ( 0.212 -0.431 0.000) 0.480 13.914 ( -0.400 -0.296 0.000) 0.498 14.004 ( 1.330 -1.274 0.000) 1.841 14.011 ( 0.365 -1.290 0.000) 1.341 17.732 ( 1.504 -0.883 0.000) 1.744 17.759 ( 0.227 -0.500 0.000) 0.549 17.768 ( -0.323 -0.772 0.000) 0.837 17.776 ( -0.379 -1.694 0.000) 1.736 27.154 ( 1.389 -1.072 0.000) 1.755 27.216 ( -0.854 -0.208 0.000) 0.879 27.281 ( 0.236 -0.862 0.000) 0.893 27.288 ( -0.066 -0.708 0.000) 0.711 27.415 ( 0.743 0.091 0.000) 0.749 27.539 ( -5.101 -0.151 0.000) 5.103 27.739 ( 3.689 -4.609 0.000) 5.904 27.902 ( -3.147 -5.158 0.000) 6.042 28.444 ( 1.115 16.169 0.000) 16.207 28.532 ( -2.454 15.663 0.000) 15.854 29.093 ( 3.960 9.685 0.000) 10.464 29.397 ( -11.111 3.714 0.000) 11.715 ======================= Grid point 12 (9/90) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -12.222 10.366 0.000) 16.025 0.906 ( 12.222 10.366 0.000) 16.025 1.129 ( -6.746 18.808 0.000) 19.981 1.129 ( 6.746 18.808 0.000) 19.981 1.554 ( -6.835 8.234 0.000) 10.701 1.554 ( 6.835 8.234 0.000) 10.701 1.657 ( -8.007 -0.083 0.000) 8.008 1.657 ( 8.007 -0.083 0.000) 8.008 1.911 ( -10.636 19.104 0.000) 21.865 1.911 ( 10.636 19.104 0.000) 21.865 2.079 ( -4.795 20.625 0.000) 21.175 2.079 ( 4.795 20.625 0.000) 21.175 2.498 ( -1.054 6.172 0.000) 6.261 2.498 ( 1.054 6.172 0.000) 6.261 2.579 ( -10.689 -5.007 0.000) 11.804 2.579 ( 10.689 -5.007 0.000) 11.804 2.728 ( -5.375 0.250 0.000) 5.381 2.728 ( 5.375 0.250 0.000) 5.381 3.301 ( -1.025 -8.275 0.000) 8.338 3.301 ( 1.025 -8.275 0.000) 8.338 3.423 ( -2.027 -3.725 0.000) 4.241 3.423 ( 2.027 -3.725 0.000) 4.241 3.582 ( -8.280 -2.288 0.000) 8.590 3.582 ( 8.280 -2.288 0.000) 8.590 3.710 ( -2.190 0.028 0.000) 2.190 3.710 ( 2.190 0.028 0.000) 2.190 3.929 ( -0.978 8.292 0.000) 8.349 3.929 ( 0.978 8.292 0.000) 8.349 4.226 ( -1.672 2.864 0.000) 3.317 4.226 ( 1.672 2.864 0.000) 3.317 4.459 ( -1.899 2.764 0.000) 3.353 4.459 ( 1.899 2.764 0.000) 3.353 4.732 ( -1.442 -0.875 0.000) 1.687 4.732 ( 1.442 -0.875 0.000) 1.687 5.030 ( -1.642 -8.248 0.000) 8.410 5.030 ( 1.642 -8.248 0.000) 8.410 13.806 ( -0.083 0.235 0.000) 0.250 13.806 ( 0.083 0.235 0.000) 0.250 13.837 ( -2.002 1.289 0.000) 2.381 13.837 ( 2.002 1.289 0.000) 2.381 13.905 ( -0.476 -0.373 0.000) 0.605 13.905 ( 0.476 -0.373 0.000) 0.605 14.016 ( -0.045 -1.407 0.000) 1.407 14.016 ( 0.045 -1.407 0.000) 1.407 17.758 ( -0.986 -1.381 0.000) 1.697 17.758 ( 0.986 -1.381 0.000) 1.697 17.766 ( -0.512 -0.916 0.000) 1.049 17.766 ( 0.512 -0.916 0.000) 1.049 27.188 ( -1.967 -0.311 0.000) 1.992 27.188 ( 1.967 -0.311 0.000) 1.992 27.285 ( -0.205 -0.762 0.000) 0.789 27.285 ( 0.205 -0.762 0.000) 0.789 27.451 ( -3.480 0.935 0.000) 3.603 27.451 ( 3.480 0.935 0.000) 3.603 27.824 ( -4.855 -4.795 0.000) 6.824 27.824 ( 4.855 -4.795 0.000) 6.824 28.480 ( -2.700 15.855 0.000) 16.083 28.480 ( 2.700 15.855 0.000) 16.083 29.206 ( -8.293 9.050 0.000) 12.275 29.206 ( 8.293 9.050 0.000) 12.275 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 0.000 16.296 0.000) 16.296 1.338 ( 0.000 5.328 0.000) 5.328 1.409 ( 0.000 14.484 0.000) 14.484 1.451 ( 0.000 9.404 0.000) 9.404 1.498 ( 0.000 6.695 0.000) 6.695 1.809 ( 0.000 13.414 0.000) 13.414 1.813 ( 0.000 -8.534 0.000) 8.534 1.897 ( 0.000 8.599 0.000) 8.599 1.903 ( 0.000 -0.006 0.000) 0.006 2.101 ( 0.000 16.514 0.000) 16.514 2.252 ( 0.000 0.811 0.000) 0.811 2.298 ( 0.000 17.439 0.000) 17.439 2.468 ( 0.000 -4.186 0.000) 4.186 2.672 ( 0.000 11.450 0.000) 11.450 2.731 ( 0.000 3.421 0.000) 3.421 2.732 ( 0.000 -1.123 0.000) 1.123 2.771 ( 0.000 9.056 0.000) 9.056 3.018 ( 0.000 -8.482 0.000) 8.482 3.045 ( 0.000 4.876 0.000) 4.876 3.235 ( 0.000 -9.488 0.000) 9.488 3.291 ( 0.000 4.617 0.000) 4.617 3.356 ( 0.000 -1.089 0.000) 1.089 3.380 ( 0.000 7.678 0.000) 7.678 3.685 ( 0.000 -2.550 0.000) 2.550 3.772 ( 0.000 -0.686 0.000) 0.686 3.868 ( 0.000 0.961 0.000) 0.961 3.938 ( 0.000 -3.281 0.000) 3.281 4.111 ( 0.000 4.949 0.000) 4.949 4.194 ( 0.000 1.443 0.000) 1.443 4.302 ( 0.000 6.271 0.000) 6.271 4.387 ( 0.000 -3.393 0.000) 3.393 4.567 ( 0.000 -10.135 0.000) 10.135 4.600 ( 0.000 1.826 0.000) 1.826 4.690 ( 0.000 -4.112 0.000) 4.112 4.833 ( 0.000 -0.566 0.000) 0.566 4.865 ( 0.000 -5.302 0.000) 5.302 13.812 ( 0.000 1.312 0.000) 1.312 13.817 ( 0.000 0.709 0.000) 0.709 13.827 ( 0.000 1.204 0.000) 1.204 13.881 ( 0.000 -0.915 0.000) 0.915 13.908 ( 0.000 -0.736 0.000) 0.736 13.938 ( 0.000 0.434 0.000) 0.434 13.967 ( 0.000 -0.524 0.000) 0.524 13.971 ( 0.000 -2.335 0.000) 2.335 17.717 ( 0.000 0.198 0.000) 0.198 17.747 ( 0.000 -0.608 0.000) 0.608 17.751 ( 0.000 -1.079 0.000) 1.079 17.756 ( 0.000 -0.820 0.000) 0.820 27.139 ( 0.000 1.291 0.000) 1.291 27.225 ( 0.000 0.401 0.000) 0.401 27.256 ( 0.000 -1.316 0.000) 1.316 27.273 ( 0.000 -0.871 0.000) 0.871 27.411 ( 0.000 0.675 0.000) 0.675 27.587 ( 0.000 0.814 0.000) 0.814 27.606 ( 0.000 -5.088 0.000) 5.088 27.818 ( 0.000 -5.920 0.000) 5.920 28.757 ( 0.000 16.006 0.000) 16.006 28.855 ( 0.000 13.703 0.000) 13.703 29.191 ( 0.000 3.753 0.000) 3.753 29.439 ( 0.000 -6.026 0.000) 6.026 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 5.964 14.155 0.000) 15.361 1.259 ( -7.137 6.835 0.000) 9.882 1.432 ( 2.251 12.971 0.000) 13.165 1.478 ( 2.032 10.400 0.000) 10.596 1.549 ( 4.389 6.398 0.000) 7.759 1.696 ( -4.873 0.151 0.000) 4.875 1.770 ( -4.401 7.432 0.000) 8.637 1.827 ( -5.984 8.704 0.000) 10.563 2.089 ( 13.178 2.475 0.000) 13.408 2.156 ( 5.142 10.532 0.000) 11.720 2.250 ( -0.363 2.319 0.000) 2.347 2.368 ( 5.500 16.648 0.000) 17.533 2.486 ( 1.444 -2.994 0.000) 3.324 2.632 ( -8.804 -2.872 0.000) 9.261 2.647 ( -2.366 12.378 0.000) 12.602 2.700 ( -6.805 6.607 0.000) 9.485 2.746 ( 2.034 3.417 0.000) 3.977 2.927 ( -5.642 1.648 0.000) 5.878 3.136 ( 5.524 -0.142 0.000) 5.526 3.265 ( 2.276 -8.425 0.000) 8.727 3.279 ( -1.494 5.601 0.000) 5.797 3.339 ( -1.499 -3.910 0.000) 4.187 3.445 ( 6.416 5.706 0.000) 8.586 3.675 ( -0.554 -2.641 0.000) 2.698 3.712 ( -5.592 0.030 0.000) 5.592 3.784 ( -6.574 -0.533 0.000) 6.596 3.966 ( 2.664 -2.335 0.000) 3.542 4.088 ( -3.388 2.639 0.000) 4.295 4.233 ( 4.383 2.955 0.000) 5.286 4.301 ( -0.216 5.906 0.000) 5.909 4.422 ( 3.594 -0.061 0.000) 3.594 4.589 ( -1.563 2.886 0.000) 3.282 4.657 ( 4.304 -5.777 0.000) 7.204 4.712 ( 5.008 -9.250 0.000) 10.519 4.750 ( -5.222 -2.542 0.000) 5.808 4.896 ( 0.034 -6.381 0.000) 6.381 13.814 ( 0.159 1.013 0.000) 1.025 13.817 ( -0.016 0.727 0.000) 0.727 13.836 ( 1.016 1.488 0.000) 1.802 13.884 ( 0.258 -0.955 0.000) 0.989 13.903 ( -0.475 -0.767 0.000) 0.902 13.908 ( -2.210 1.164 0.000) 2.498 13.976 ( 0.454 -2.206 0.000) 2.252 13.980 ( 0.613 -1.205 0.000) 1.352 17.723 ( 0.626 -0.117 0.000) 0.637 17.747 ( -0.396 -0.973 0.000) 1.050 17.748 ( 0.139 -0.638 0.000) 0.653 17.754 ( -0.127 -0.806 0.000) 0.816 27.158 ( 1.813 1.277 0.000) 2.217 27.219 ( -0.732 0.494 0.000) 0.883 27.261 ( 0.379 -1.204 0.000) 1.262 27.272 ( -0.120 -0.909 0.000) 0.916 27.424 ( 1.522 1.047 0.000) 1.848 27.548 ( -3.691 1.306 0.000) 3.915 27.639 ( 3.373 -5.313 0.000) 6.294 27.790 ( -2.890 -5.889 0.000) 6.560 28.764 ( 0.873 15.797 0.000) 15.821 28.833 ( -2.051 14.126 0.000) 14.274 29.220 ( 3.000 2.939 0.000) 4.199 29.391 ( -4.593 -3.599 0.000) 5.835 ======================= Grid point 17 (12/90) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -8.645 10.018 0.000) 13.232 1.105 ( 8.645 10.018 0.000) 13.232 1.480 ( -2.107 11.806 0.000) 11.993 1.480 ( 2.107 11.806 0.000) 11.993 1.636 ( -4.070 2.492 0.000) 4.772 1.636 ( 4.070 2.492 0.000) 4.772 1.729 ( -2.663 9.076 0.000) 9.459 1.729 ( 2.663 9.076 0.000) 9.459 2.222 ( -3.053 9.528 0.000) 10.005 2.222 ( 3.053 9.528 0.000) 10.005 2.360 ( -11.611 1.305 0.000) 11.684 2.360 ( 11.611 1.305 0.000) 11.684 2.500 ( -0.400 0.808 0.000) 0.902 2.500 ( 0.400 0.808 0.000) 0.902 2.617 ( -0.791 11.059 0.000) 11.087 2.617 ( 0.791 11.059 0.000) 11.087 2.818 ( -5.463 2.361 0.000) 5.952 2.818 ( 5.463 2.361 0.000) 5.952 3.228 ( -3.972 4.084 0.000) 5.697 3.228 ( 3.972 4.084 0.000) 5.697 3.306 ( -2.038 -6.955 0.000) 7.248 3.306 ( 2.038 -6.955 0.000) 7.248 3.585 ( -7.779 2.534 0.000) 8.181 3.585 ( 7.779 2.534 0.000) 8.181 3.689 ( -2.703 -2.425 0.000) 3.631 3.689 ( 2.703 -2.425 0.000) 3.631 4.024 ( -3.345 -0.224 0.000) 3.352 4.024 ( 3.345 -0.224 0.000) 3.352 4.289 ( -1.411 5.002 0.000) 5.197 4.289 ( 1.411 5.002 0.000) 5.197 4.519 ( -5.746 3.003 0.000) 6.484 4.519 ( 5.746 3.003 0.000) 6.484 4.685 ( -1.507 -3.761 0.000) 4.051 4.685 ( 1.507 -3.761 0.000) 4.051 4.844 ( -5.707 -10.028 0.000) 11.538 4.844 ( 5.707 -10.028 0.000) 11.538 13.816 ( -0.043 0.791 0.000) 0.792 13.816 ( 0.043 0.791 0.000) 0.792 13.865 ( -1.994 1.432 0.000) 2.455 13.865 ( 1.994 1.432 0.000) 2.455 13.893 ( -0.485 -0.686 0.000) 0.840 13.893 ( 0.485 -0.686 0.000) 0.840 13.983 ( -0.204 -1.855 0.000) 1.866 13.983 ( 0.204 -1.855 0.000) 1.866 17.736 ( -0.695 -0.655 0.000) 0.955 17.736 ( 0.695 -0.655 0.000) 0.955 17.751 ( -0.196 -0.720 0.000) 0.746 17.751 ( 0.196 -0.720 0.000) 0.746 27.195 ( -1.814 0.894 0.000) 2.022 27.195 ( 1.814 0.894 0.000) 2.022 27.268 ( -0.319 -1.026 0.000) 1.074 27.268 ( 0.319 -1.026 0.000) 1.074 27.473 ( -3.701 1.645 0.000) 4.050 27.473 ( 3.701 1.645 0.000) 4.050 27.717 ( -4.525 -5.681 0.000) 7.262 27.717 ( 4.525 -5.681 0.000) 7.262 28.792 ( -2.045 15.060 0.000) 15.198 28.792 ( 2.045 15.060 0.000) 15.198 29.296 ( -4.939 0.411 0.000) 4.956 29.296 ( 4.939 0.411 0.000) 4.956 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.000 15.626 0.000) 15.626 1.420 ( 0.000 2.987 0.000) 2.987 1.458 ( 0.000 -0.892 0.000) 0.892 1.501 ( 0.000 -10.545 0.000) 10.545 1.702 ( 0.000 5.029 0.000) 5.029 1.795 ( 0.000 14.191 0.000) 14.191 1.826 ( 0.000 -5.181 0.000) 5.181 1.980 ( 0.000 -3.029 0.000) 3.029 2.092 ( 0.000 12.265 0.000) 12.265 2.288 ( 0.000 -5.434 0.000) 5.434 2.315 ( 0.000 7.641 0.000) 7.641 2.435 ( 0.000 8.830 0.000) 8.830 2.482 ( 0.000 -3.747 0.000) 3.747 2.634 ( 0.000 -9.291 0.000) 9.291 2.694 ( 0.000 4.609 0.000) 4.609 2.825 ( 0.000 -3.590 0.000) 3.590 2.944 ( 0.000 13.692 0.000) 13.692 2.961 ( 0.000 1.055 0.000) 1.055 3.026 ( 0.000 -6.180 0.000) 6.180 3.175 ( 0.000 -9.485 0.000) 9.485 3.285 ( 0.000 12.752 0.000) 12.752 3.484 ( 0.000 -3.323 0.000) 3.323 3.638 ( 0.000 15.915 0.000) 15.915 3.653 ( 0.000 4.564 0.000) 4.564 3.763 ( 0.000 -0.628 0.000) 0.628 3.814 ( 0.000 -8.384 0.000) 8.384 3.895 ( 0.000 4.163 0.000) 4.163 4.134 ( 0.000 -11.566 0.000) 11.566 4.196 ( 0.000 -3.684 0.000) 3.684 4.201 ( 0.000 -0.417 0.000) 0.417 4.448 ( 0.000 7.639 0.000) 7.639 4.524 ( 0.000 3.135 0.000) 3.135 4.576 ( 0.000 -4.456 0.000) 4.456 4.605 ( 0.000 -4.433 0.000) 4.433 4.789 ( 0.000 -1.328 0.000) 1.328 4.804 ( 0.000 -1.842 0.000) 1.842 13.835 ( 0.000 1.130 0.000) 1.130 13.842 ( 0.000 1.537 0.000) 1.537 13.854 ( 0.000 0.973 0.000) 0.973 13.859 ( 0.000 -1.228 0.000) 1.228 13.893 ( 0.000 -0.269 0.000) 0.269 13.921 ( 0.000 -2.442 0.000) 2.442 13.947 ( 0.000 0.482 0.000) 0.482 13.957 ( 0.000 -0.490 0.000) 0.490 17.723 ( 0.000 0.458 0.000) 0.458 17.734 ( 0.000 -0.619 0.000) 0.619 17.738 ( 0.000 -0.194 0.000) 0.194 17.742 ( 0.000 -0.509 0.000) 0.509 27.180 ( 0.000 2.434 0.000) 2.434 27.224 ( 0.000 -1.959 0.000) 1.959 27.237 ( 0.000 0.801 0.000) 0.801 27.255 ( 0.000 -0.921 0.000) 0.921 27.441 ( 0.000 2.482 0.000) 2.482 27.510 ( 0.000 -4.365 0.000) 4.365 27.626 ( 0.000 3.139 0.000) 3.139 27.708 ( 0.000 -5.007 0.000) 5.007 29.052 ( 0.000 13.532 0.000) 13.532 29.081 ( 0.000 8.917 0.000) 8.917 29.199 ( 0.000 -2.876 0.000) 2.876 29.284 ( 0.000 -9.814 0.000) 9.814 ======================= Grid point 21 (14/90) ======================= q-point: ( 0.25 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 1.964 13.432 0.000) 13.575 1.377 ( -3.951 5.049 0.000) 6.411 1.456 ( -0.233 -2.851 0.000) 2.860 1.478 ( -1.753 -10.036 0.000) 10.188 1.747 ( 4.958 8.849 0.000) 10.143 1.824 ( 2.682 12.992 0.000) 13.266 1.891 ( 3.552 -3.151 0.000) 4.748 1.957 ( -2.735 1.255 0.000) 3.009 2.110 ( 3.764 7.986 0.000) 8.829 2.278 ( -2.447 3.962 0.000) 4.657 2.280 ( -0.785 -5.406 0.000) 5.462 2.442 ( -6.148 -9.994 0.000) 11.734 2.488 ( 5.039 7.708 0.000) 9.209 2.651 ( -2.254 10.203 0.000) 10.449 2.661 ( 2.851 -8.255 0.000) 8.733 2.830 ( -2.706 -7.517 0.000) 7.989 2.903 ( -2.066 9.331 0.000) 9.557 2.934 ( -1.097 13.893 0.000) 13.936 3.073 ( 3.287 -8.328 0.000) 8.953 3.166 ( -1.035 -9.586 0.000) 9.642 3.327 ( 4.400 11.644 0.000) 12.448 3.516 ( 3.269 -4.892 0.000) 5.884 3.575 ( -6.356 13.514 0.000) 14.934 3.662 ( 1.266 7.023 0.000) 7.137 3.712 ( -4.930 -2.194 0.000) 5.396 3.797 ( -6.730 5.808 0.000) 8.890 3.847 ( 3.143 -8.850 0.000) 9.391 4.010 ( -6.002 -10.220 0.000) 11.852 4.309 ( 9.151 4.104 0.000) 10.030 4.391 ( 10.560 -3.935 0.000) 11.270 4.444 ( -0.417 7.801 0.000) 7.812 4.550 ( 3.556 -0.549 0.000) 3.598 4.580 ( 0.393 -4.750 0.000) 4.766 4.601 ( -0.331 -4.142 0.000) 4.155 4.718 ( -6.348 1.024 0.000) 6.430 4.781 ( -3.581 -4.767 0.000) 5.962 13.836 ( 0.063 1.186 0.000) 1.187 13.840 ( -0.144 1.463 0.000) 1.470 13.861 ( 0.499 0.115 0.000) 0.512 13.861 ( 0.180 -1.288 0.000) 1.300 13.893 ( 0.160 0.608 0.000) 0.628 13.929 ( 0.737 -2.364 0.000) 2.476 13.932 ( -1.284 1.206 0.000) 1.761 13.956 ( -0.316 -1.211 0.000) 1.252 17.726 ( 0.244 0.339 0.000) 0.418 17.735 ( 0.120 -0.600 0.000) 0.611 17.736 ( -0.199 -0.118 0.000) 0.231 17.741 ( -0.106 -0.523 0.000) 0.534 27.194 ( 1.316 2.086 0.000) 2.466 27.232 ( 0.697 -1.696 0.000) 1.833 27.233 ( -0.463 0.915 0.000) 1.026 27.253 ( -0.243 -0.998 0.000) 1.027 27.462 ( 2.261 2.889 0.000) 3.669 27.538 ( 2.912 -4.680 0.000) 5.512 27.595 ( -3.164 3.371 0.000) 4.623 27.679 ( -2.914 -5.112 0.000) 5.884 29.052 ( 0.067 12.975 0.000) 12.975 29.072 ( -0.812 9.761 0.000) 9.795 29.209 ( 1.033 -3.910 0.000) 4.044 29.268 ( -1.526 -8.717 0.000) 8.849 ======================= Grid point 22 (15/90) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -4.117 9.108 0.000) 9.995 1.296 ( 4.117 9.108 0.000) 9.995 1.456 ( -0.473 -6.739 0.000) 6.756 1.456 ( 0.473 -6.739 0.000) 6.756 1.851 ( -3.745 10.649 0.000) 11.288 1.851 ( 3.745 10.649 0.000) 11.288 1.898 ( -0.184 6.073 0.000) 6.076 1.898 ( 0.184 6.073 0.000) 6.076 2.242 ( -4.717 -2.696 0.000) 5.433 2.242 ( 4.717 -2.696 0.000) 5.433 2.286 ( -5.620 -5.758 0.000) 8.046 2.286 ( 5.620 -5.758 0.000) 8.046 2.591 ( -4.962 7.406 0.000) 8.914 2.591 ( 4.962 7.406 0.000) 8.914 2.737 ( -5.142 -6.561 0.000) 8.336 2.737 ( 5.142 -6.561 0.000) 8.336 2.908 ( -1.380 13.268 0.000) 13.339 2.908 ( 1.380 13.268 0.000) 13.340 3.132 ( -2.660 -9.523 0.000) 9.888 3.132 ( 2.660 -9.523 0.000) 9.888 3.439 ( -7.206 10.919 0.000) 13.083 3.439 ( 7.206 10.919 0.000) 13.083 3.602 ( -5.807 -5.895 0.000) 8.275 3.602 ( 5.807 -5.895 0.000) 8.275 3.705 ( -3.364 9.533 0.000) 10.109 3.705 ( 3.364 9.533 0.000) 10.109 3.918 ( -4.268 -9.539 0.000) 10.451 3.918 ( 4.268 -9.539 0.000) 10.451 4.423 ( -2.562 7.771 0.000) 8.183 4.423 ( 2.562 7.771 0.000) 8.183 4.565 ( -8.180 -2.462 0.000) 8.542 4.565 ( 8.180 -2.462 0.000) 8.542 4.593 ( -0.406 -1.321 0.000) 1.382 4.593 ( 0.406 -1.321 0.000) 1.382 4.672 ( -7.576 -6.400 0.000) 9.917 4.672 ( 7.576 -6.400 0.000) 9.917 13.838 ( -0.110 1.322 0.000) 1.327 13.838 ( 0.110 1.322 0.000) 1.327 13.865 ( -0.112 -1.261 0.000) 1.266 13.865 ( 0.112 -1.261 0.000) 1.266 13.906 ( -1.254 1.795 0.000) 2.189 13.906 ( 1.254 1.795 0.000) 2.189 13.945 ( -0.810 -1.986 0.000) 2.145 13.945 ( 0.810 -1.986 0.000) 2.145 17.731 ( -0.311 0.089 0.000) 0.323 17.731 ( 0.311 0.089 0.000) 0.323 17.738 ( -0.160 -0.558 0.000) 0.581 17.738 ( 0.160 -0.558 0.000) 0.581 27.219 ( -1.126 1.361 0.000) 1.766 27.219 ( 1.126 1.361 0.000) 1.766 27.245 ( -0.579 -1.258 0.000) 1.385 27.245 ( 0.579 -1.258 0.000) 1.385 27.523 ( -3.994 3.470 0.000) 5.291 27.523 ( 3.994 3.470 0.000) 5.291 27.609 ( -4.246 -5.099 0.000) 6.635 27.609 ( 4.246 -5.099 0.000) 6.635 29.058 ( -0.611 11.499 0.000) 11.515 29.058 ( 0.611 11.499 0.000) 11.515 29.236 ( -1.700 -6.273 0.000) 6.499 29.236 ( 1.700 -6.273 0.000) 6.499 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.275 ( 0.000 0.000 14.681) 14.681 0.470 ( 0.000 0.000 23.610) 23.610 0.651 ( 0.000 0.000 33.447) 33.447 1.110 ( 0.000 0.000 7.738) 7.738 1.161 ( 0.000 0.000 7.437) 7.437 1.304 ( 0.000 0.000 8.500) 8.500 1.358 ( 0.000 0.000 14.745) 14.745 1.398 ( 0.000 0.000 -4.157) 4.157 1.650 ( 0.000 0.000 2.692) 2.692 1.758 ( 0.000 0.000 12.221) 12.221 1.937 ( 0.000 0.000 5.514) 5.514 2.066 ( 0.000 0.000 -2.056) 2.056 2.098 ( 0.000 0.000 4.617) 4.617 2.354 ( 0.000 0.000 -0.533) 0.533 2.388 ( 0.000 0.000 -2.809) 2.809 2.665 ( 0.000 0.000 -1.443) 1.443 2.867 ( 0.000 0.000 0.553) 0.553 3.241 ( 0.000 0.000 -0.804) 0.804 3.250 ( 0.000 0.000 1.007) 1.007 3.380 ( 0.000 0.000 -3.885) 3.885 3.409 ( 0.000 0.000 -6.409) 6.409 3.461 ( 0.000 0.000 -4.886) 4.886 3.559 ( 0.000 0.000 -6.790) 6.790 3.628 ( 0.000 0.000 -2.033) 2.033 3.770 ( 0.000 0.000 -3.540) 3.540 3.771 ( 0.000 0.000 2.062) 2.062 3.834 ( 0.000 0.000 1.838) 1.838 3.868 ( 0.000 0.000 -3.072) 3.072 3.951 ( 0.000 0.000 1.167) 1.167 4.019 ( 0.000 0.000 0.738) 0.738 4.200 ( 0.000 0.000 -5.493) 5.493 4.226 ( 0.000 0.000 -1.625) 1.625 4.520 ( 0.000 0.000 3.083) 3.083 4.667 ( 0.000 0.000 -5.827) 5.827 4.882 ( 0.000 0.000 2.136) 2.136 5.680 ( 0.000 0.000 -4.116) 4.116 13.803 ( 0.000 0.000 -0.018) 0.018 13.805 ( 0.000 0.000 0.032) 0.032 13.808 ( 0.000 0.000 0.160) 0.160 13.808 ( 0.000 0.000 0.118) 0.118 13.913 ( 0.000 0.000 1.294) 1.294 13.994 ( 0.000 0.000 0.356) 0.356 13.996 ( 0.000 0.000 -0.006) 0.006 14.018 ( 0.000 0.000 0.057) 0.057 17.715 ( 0.000 0.000 -0.164) 0.164 17.769 ( 0.000 0.000 0.212) 0.212 17.824 ( 0.000 0.000 -0.399) 0.399 17.909 ( 0.000 0.000 -0.653) 0.653 27.236 ( 0.000 0.000 0.128) 0.128 27.264 ( 0.000 0.000 1.045) 1.045 27.309 ( 0.000 0.000 0.762) 0.762 27.315 ( 0.000 0.000 1.041) 1.041 27.450 ( 0.000 0.000 1.001) 1.001 27.514 ( 0.000 0.000 -1.395) 1.395 27.687 ( 0.000 0.000 -2.195) 2.195 27.796 ( 0.000 0.000 -1.227) 1.227 27.977 ( 0.000 0.000 -1.274) 1.274 28.053 ( 0.000 0.000 0.072) 0.072 28.287 ( 0.000 0.000 12.482) 12.482 29.740 ( 0.000 0.000 -4.210) 4.210 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.25 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.522 ( 15.707 0.000 11.813) 19.654 0.550 ( 7.830 0.000 19.822) 21.312 0.819 ( 15.729 0.000 22.575) 27.514 0.936 ( -10.921 0.000 10.275) 14.995 1.094 ( -9.640 0.000 12.135) 15.498 1.317 ( 9.132 0.000 4.699) 10.270 1.433 ( 3.098 0.000 -4.137) 5.168 1.530 ( 7.465 0.000 10.723) 13.065 1.632 ( -1.622 0.000 3.485) 3.844 1.705 ( -7.357 0.000 13.188) 15.101 1.794 ( -10.125 0.000 4.155) 10.945 1.889 ( -15.393 0.000 5.497) 16.345 2.176 ( 6.829 0.000 -0.335) 6.837 2.337 ( -1.896 0.000 -0.486) 1.957 2.473 ( 8.684 0.000 -3.073) 9.212 2.752 ( 5.237 0.000 -1.203) 5.373 2.862 ( -0.546 0.000 -1.646) 1.734 3.077 ( -10.116 0.000 0.255) 10.119 3.346 ( 4.767 0.000 0.791) 4.832 3.381 ( 0.119 0.000 -4.071) 4.073 3.398 ( -0.841 0.000 -5.498) 5.562 3.483 ( 1.853 0.000 -5.689) 5.983 3.548 ( -1.150 0.000 -6.677) 6.775 3.600 ( -7.789 0.000 -2.662) 8.232 3.735 ( 7.044 0.000 -4.826) 8.538 3.778 ( 0.706 0.000 2.032) 2.151 3.821 ( -1.204 0.000 1.895) 2.245 3.954 ( -1.087 0.000 1.167) 1.595 3.965 ( 1.273 0.000 1.080) 1.669 4.011 ( -0.797 0.000 0.789) 1.121 4.250 ( 1.914 0.000 -3.678) 4.146 4.253 ( 3.186 0.000 -13.821) 14.183 4.552 ( 2.912 0.000 -1.518) 3.284 4.652 ( -1.639 0.000 -5.559) 5.795 5.016 ( 12.010 0.000 0.780) 12.035 5.505 ( -13.514 0.000 3.372) 13.928 13.803 ( 0.022 0.000 -0.011) 0.024 13.804 ( -0.016 0.000 0.025) 0.030 13.808 ( 0.010 0.000 0.154) 0.154 13.808 ( -0.015 0.000 0.124) 0.125 13.916 ( 0.329 0.000 1.345) 1.385 13.947 ( -1.611 0.000 1.816) 2.427 14.025 ( 0.742 0.000 -0.119) 0.751 14.040 ( 0.851 0.000 -1.182) 1.457 17.735 ( 1.272 0.000 -1.490) 1.959 17.763 ( -0.490 0.000 -0.458) 0.671 17.836 ( 1.102 0.000 0.177) 1.116 17.888 ( -1.596 0.000 0.833) 1.800 27.242 ( 0.614 0.000 0.546) 0.821 27.285 ( 2.191 0.000 1.020) 2.417 27.308 ( -0.639 0.000 0.912) 1.114 27.315 ( -0.065 0.000 1.038) 1.040 27.333 ( -5.740 0.000 5.124) 7.694 27.413 ( -3.475 0.000 0.958) 3.605 27.833 ( 3.407 0.000 -1.184) 3.607 27.902 ( 7.527 0.000 -11.952) 14.125 27.957 ( -2.122 0.000 -1.249) 2.462 28.030 ( -1.924 0.000 -3.428) 3.931 28.525 ( 20.341 0.000 8.280) 21.961 29.360 ( -27.039 0.000 14.352) 30.612 ======================= Grid point 47 (18/90) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.730 ( -10.813 0.000 14.193) 17.842 0.730 ( 10.813 0.000 14.193) 17.842 0.782 ( -12.766 0.000 13.155) 18.331 0.782 ( 12.766 0.000 13.155) 18.331 1.322 ( -23.728 0.000 11.074) 26.185 1.322 ( 23.728 0.000 11.074) 26.185 1.454 ( -3.429 0.000 -1.233) 3.644 1.454 ( 3.429 0.000 -1.233) 3.644 1.636 ( -4.633 0.000 5.028) 6.837 1.636 ( 4.633 0.000 5.028) 6.837 1.708 ( -6.686 0.000 10.702) 12.619 1.708 ( 6.686 0.000 10.702) 12.619 2.280 ( -4.289 0.000 -0.355) 4.303 2.280 ( 4.289 0.000 -0.355) 4.303 2.675 ( -11.077 0.000 -3.445) 11.600 2.675 ( 11.077 0.000 -3.445) 11.600 2.925 ( -6.141 0.000 -0.186) 6.143 2.925 ( 6.141 0.000 -0.186) 6.143 3.385 ( -0.423 0.000 -4.608) 4.628 3.385 ( 0.423 0.000 -4.608) 4.628 3.458 ( -7.206 0.000 -1.280) 7.319 3.458 ( 7.206 0.000 -1.280) 7.319 3.519 ( -1.878 0.000 -6.341) 6.614 3.519 ( 1.878 0.000 -6.341) 6.614 3.796 ( -1.250 0.000 1.973) 2.336 3.796 ( 1.250 0.000 1.973) 2.336 3.870 ( -6.573 0.000 -0.696) 6.610 3.870 ( 6.573 0.000 -0.696) 6.610 3.991 ( -1.351 0.000 0.920) 1.634 3.991 ( 1.351 0.000 0.920) 1.634 4.275 ( -0.508 0.000 -8.799) 8.813 4.275 ( 0.508 0.000 -8.799) 8.813 4.609 ( -2.878 0.000 -4.842) 5.633 4.609 ( 2.878 0.000 -4.842) 5.633 5.257 ( -13.104 0.000 2.583) 13.356 5.257 ( 13.104 0.000 2.583) 13.356 13.804 ( -0.027 0.000 0.007) 0.028 13.804 ( 0.027 0.000 0.007) 0.028 13.808 ( -0.018 0.000 0.139) 0.140 13.808 ( 0.018 0.000 0.139) 0.140 13.926 ( -0.745 0.000 1.516) 1.690 13.926 ( 0.745 0.000 1.516) 1.690 14.039 ( -0.637 0.000 -0.458) 0.785 14.039 ( 0.637 0.000 -0.458) 0.785 17.753 ( -0.696 0.000 -1.264) 1.443 17.753 ( 0.696 0.000 -1.264) 1.443 17.860 ( -1.378 0.000 0.893) 1.642 17.860 ( 1.378 0.000 0.893) 1.642 27.262 ( -1.762 0.000 1.980) 2.651 27.262 ( 1.762 0.000 1.980) 2.651 27.313 ( -0.057 0.000 1.104) 1.105 27.313 ( 0.057 0.000 1.104) 1.105 27.342 ( -3.702 0.000 0.968) 3.826 27.342 ( 3.702 0.000 0.968) 3.826 27.902 ( -3.605 0.000 -1.195) 3.798 27.902 ( 3.605 0.000 -1.195) 3.798 27.986 ( -2.871 0.000 -7.292) 7.836 27.986 ( 2.871 0.000 -7.292) 7.836 28.915 ( -21.345 0.000 11.549) 24.269 28.915 ( 21.345 0.000 11.549) 24.269 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.382 ( 0.000 10.026 9.041) 13.501 0.465 ( 0.000 13.594 9.402) 16.529 1.087 ( 0.000 28.082 22.443) 35.948 1.140 ( 0.000 2.994 6.237) 6.918 1.281 ( 0.000 6.524 4.801) 8.101 1.384 ( 0.000 7.390 7.521) 10.544 1.398 ( 0.000 4.020 0.477) 4.048 1.530 ( 0.000 16.068 9.885) 18.865 1.708 ( 0.000 4.020 1.167) 4.186 1.799 ( 0.000 4.478 9.319) 10.339 2.042 ( 0.000 5.417 -1.046) 5.517 2.118 ( 0.000 5.026 0.576) 5.059 2.186 ( 0.000 9.459 3.847) 10.211 2.355 ( 0.000 -2.014 -2.572) 3.267 2.408 ( 0.000 5.265 -0.474) 5.286 2.647 ( 0.000 -1.213 -2.498) 2.777 2.774 ( 0.000 -5.609 0.474) 5.629 3.114 ( 0.000 -6.724 -0.550) 6.746 3.237 ( 0.000 -0.667 0.959) 1.168 3.347 ( 0.000 -5.815 -7.297) 9.331 3.492 ( 0.000 3.299 -2.224) 3.979 3.565 ( 0.000 4.118 -5.816) 7.126 3.586 ( 0.000 -2.799 0.906) 2.942 3.615 ( 0.000 -12.502 1.517) 12.594 3.718 ( 0.000 5.593 -2.264) 6.034 3.764 ( 0.000 1.114 -3.692) 3.856 3.807 ( 0.000 2.817 2.344) 3.664 3.924 ( 0.000 -0.460 1.193) 1.278 4.008 ( 0.000 4.856 -1.771) 5.169 4.075 ( 0.000 15.740 -12.081) 19.842 4.234 ( 0.000 0.488 -0.707) 0.860 4.403 ( 0.000 3.698 -6.256) 7.267 4.606 ( 0.000 9.202 -4.816) 10.386 4.680 ( 0.000 1.264 -6.366) 6.491 4.857 ( 0.000 -2.327 1.258) 2.645 5.366 ( 0.000 -20.486 7.184) 21.709 13.801 ( 0.000 -0.528 0.136) 0.545 13.806 ( 0.000 0.111 0.122) 0.165 13.807 ( 0.000 0.123 0.136) 0.183 13.841 ( 0.000 2.009 -2.428) 3.152 13.912 ( 0.000 -0.210 1.132) 1.152 13.982 ( 0.000 -0.871 1.280) 1.548 13.991 ( 0.000 -0.339 0.417) 0.538 14.019 ( 0.000 -0.091 -0.013) 0.092 17.714 ( 0.000 -0.082 -0.166) 0.185 17.765 ( 0.000 -0.391 0.104) 0.405 17.810 ( 0.000 -1.322 -0.276) 1.350 17.832 ( 0.000 -3.702 2.384) 4.403 27.209 ( 0.000 -4.335 1.128) 4.480 27.230 ( 0.000 -0.506 0.043) 0.508 27.300 ( 0.000 -0.800 0.518) 0.954 27.311 ( 0.000 -0.424 0.987) 1.074 27.421 ( 0.000 0.697 -0.218) 0.730 27.625 ( 0.000 -3.774 -1.444) 4.040 27.821 ( 0.000 0.715 2.447) 2.549 27.984 ( 0.000 3.428 -4.685) 5.805 28.119 ( 0.000 12.409 -2.150) 12.594 28.312 ( 0.000 33.266 -23.606) 40.791 28.354 ( 0.000 7.026 7.950) 10.610 29.646 ( 0.000 -6.438 -0.413) 6.451 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.25 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 9.551 5.632 10.668) 15.386 0.618 ( 13.978 10.638 5.352) 18.362 0.991 ( -10.519 4.570 6.418) 13.143 1.159 ( -3.419 16.191 15.118) 22.414 1.210 ( 3.516 16.590 13.916) 21.938 1.438 ( 6.581 8.014 0.904) 10.409 1.476 ( 5.995 3.700 -0.454) 7.060 1.623 ( 5.228 12.842 9.596) 16.862 1.690 ( -2.196 3.497 2.186) 4.673 1.746 ( -6.112 5.094 8.685) 11.778 1.891 ( -10.166 8.403 3.000) 13.527 2.001 ( -11.758 10.495 7.271) 17.357 2.246 ( 5.778 6.885 -1.200) 9.068 2.373 ( -0.710 2.240 -2.433) 3.383 2.452 ( 7.260 -0.107 -1.182) 7.357 2.721 ( 5.110 -3.632 -1.886) 6.547 2.766 ( -1.648 -5.455 -0.928) 5.774 2.981 ( -10.361 -7.028 -0.003) 12.520 3.308 ( 4.686 -0.823 -0.714) 4.810 3.372 ( 2.715 -3.751 -5.530) 7.213 3.449 ( -4.010 -1.042 -2.863) 5.036 3.537 ( -3.483 -0.572 -3.011) 4.640 3.597 ( 1.495 3.397 -3.008) 4.777 3.617 ( 1.619 -3.487 -0.216) 3.850 3.658 ( -1.297 4.483 -1.657) 4.953 3.803 ( -1.205 0.930 2.199) 2.674 3.811 ( 0.781 -0.624 1.581) 1.871 3.851 ( -4.714 -2.391 1.038) 5.387 4.053 ( 3.190 5.322 -1.555) 6.396 4.105 ( 1.029 9.022 -7.787) 11.962 4.287 ( 4.089 3.747 -3.941) 6.803 4.387 ( -1.585 4.641 -6.473) 8.121 4.597 ( 0.438 4.659 -5.559) 7.266 4.665 ( -1.637 1.225 -6.310) 6.633 4.988 ( 10.742 -2.812 -0.764) 11.130 5.318 ( -5.087 -14.717 4.618) 16.242 13.803 ( 0.187 -0.365 0.073) 0.416 13.806 ( -0.004 0.080 0.122) 0.145 13.807 ( 0.051 0.199 0.123) 0.240 13.828 ( -1.054 1.589 -1.227) 2.268 13.915 ( 0.367 -0.172 1.197) 1.264 13.945 ( -1.498 -0.134 1.709) 2.277 14.024 ( 0.695 -0.285 -0.151) 0.766 14.028 ( 1.075 -0.917 -0.331) 1.452 17.731 ( 1.217 -0.378 -1.125) 1.700 17.760 ( -0.463 -0.350 -0.496) 0.763 17.818 ( 0.696 -1.645 0.280) 1.808 17.833 ( 0.031 -3.383 1.981) 3.920 27.206 ( -0.088 -3.501 0.741) 3.580 27.228 ( -0.526 -1.340 0.371) 1.487 27.302 ( 0.197 -0.685 0.537) 0.892 27.310 ( -0.101 -0.443 0.942) 1.046 27.412 ( -0.344 2.313 0.417) 2.376 27.538 ( -7.442 3.377 1.774) 8.363 27.816 ( 1.936 0.667 -0.310) 2.071 27.968 ( -3.612 -0.259 -0.704) 3.689 28.094 ( 0.933 14.560 -6.026) 15.786 28.195 ( -3.263 14.891 -5.893) 16.344 28.662 ( 18.571 13.108 -2.656) 22.886 29.389 ( -21.058 2.101 6.965) 22.280 ======================= Grid point 52 (21/90) ======================= q-point: (-0.50 0.11 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( -9.007 5.307 6.865) 12.507 0.702 ( 9.007 5.307 6.865) 12.507 0.961 ( -10.674 8.844 9.985) 17.083 0.961 ( 10.674 8.844 9.985) 17.083 1.460 ( -14.158 12.684 7.813) 20.552 1.460 ( 14.158 12.684 7.813) 20.552 1.565 ( -2.763 8.400 0.305) 8.849 1.565 ( 2.763 8.400 0.305) 8.849 1.659 ( -1.283 3.957 5.581) 6.961 1.659 ( 1.283 3.957 5.581) 6.961 1.837 ( -5.059 12.634 9.791) 16.765 1.837 ( 5.059 12.634 9.791) 16.765 2.334 ( -3.395 5.115 -1.522) 6.325 2.334 ( 3.395 5.115 -1.522) 6.325 2.639 ( -10.767 -2.619 -2.549) 11.371 2.639 ( 10.767 -2.619 -2.549) 11.371 2.825 ( -5.837 -7.746 -0.160) 9.700 2.825 ( 5.837 -7.746 -0.160) 9.700 3.378 ( -3.220 -2.709 -4.835) 6.410 3.378 ( 3.220 -2.709 -4.835) 6.410 3.454 ( -5.033 0.159 -1.431) 5.235 3.454 ( 5.033 0.159 -1.431) 5.235 3.623 ( -1.105 6.937 -2.950) 7.619 3.623 ( 1.105 6.937 -2.950) 7.619 3.711 ( -5.939 -5.755 1.163) 8.351 3.711 ( 5.939 -5.755 1.163) 8.351 3.821 ( -0.550 -0.625 2.343) 2.487 3.821 ( 0.550 -0.625 2.343) 2.487 4.099 ( -1.503 6.477 -3.127) 7.348 4.099 ( 1.503 6.477 -3.127) 7.348 4.349 ( -2.540 5.010 -5.949) 8.181 4.349 ( 2.540 5.010 -5.949) 8.181 4.627 ( -2.211 1.717 -6.322) 6.914 4.627 ( 2.211 1.717 -6.322) 6.914 5.182 ( -9.237 -6.984 0.824) 11.609 5.182 ( 9.237 -6.984 0.824) 11.609 13.805 ( -0.054 -0.052 0.087) 0.115 13.805 ( 0.054 -0.052 0.087) 0.115 13.812 ( -0.567 0.635 -0.200) 0.874 13.812 ( 0.567 0.635 -0.200) 0.874 13.925 ( -0.757 -0.119 1.396) 1.593 13.925 ( 0.757 -0.119 1.396) 1.593 14.034 ( -0.289 -0.563 -0.280) 0.692 14.034 ( 0.289 -0.563 -0.280) 0.692 17.749 ( -0.733 -0.366 -1.178) 1.435 17.749 ( 0.733 -0.366 -1.178) 1.435 17.829 ( -0.426 -2.434 1.128) 2.717 17.829 ( 0.426 -2.434 1.128) 2.717 27.212 ( -0.802 -2.291 0.497) 2.477 27.212 ( 0.802 -2.291 0.497) 2.477 27.307 ( -0.251 -0.531 0.778) 0.975 27.307 ( 0.251 -0.531 0.778) 0.975 27.434 ( -3.174 4.258 2.143) 5.727 27.434 ( 3.174 4.258 2.143) 5.727 27.884 ( -4.562 -0.337 -1.101) 4.705 27.884 ( 4.562 -0.337 -1.101) 4.705 28.140 ( -2.949 12.626 -5.121) 13.941 28.140 ( 2.949 12.626 -5.121) 13.941 29.009 ( -19.072 8.197 4.843) 21.316 29.009 ( 19.072 8.197 4.843) 21.316 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( 0.000 14.594 4.547) 15.286 0.854 ( 0.000 21.616 -5.568) 22.321 1.225 ( 0.000 5.257 2.735) 5.926 1.392 ( 0.000 4.920 2.239) 5.405 1.438 ( 0.000 6.342 4.295) 7.659 1.566 ( 0.000 10.499 3.320) 11.012 1.667 ( 0.000 23.150 9.672) 25.089 1.784 ( 0.000 3.835 0.815) 3.920 1.898 ( 0.000 4.931 5.070) 7.073 1.948 ( 0.000 22.149 7.493) 23.382 2.054 ( 0.000 -4.266 -0.862) 4.352 2.216 ( 0.000 3.351 0.826) 3.451 2.393 ( 0.000 6.991 -0.876) 7.046 2.467 ( 0.000 16.978 1.113) 17.014 2.574 ( 0.000 11.942 2.131) 12.131 2.578 ( 0.000 -4.798 -4.930) 6.879 2.741 ( 0.000 1.978 2.624) 3.286 3.029 ( 0.000 -1.951 0.393) 1.990 3.211 ( 0.000 -6.749 -6.958) 9.694 3.230 ( 0.000 -3.175 -0.525) 3.218 3.338 ( 0.000 -8.671 3.987) 9.544 3.441 ( 0.000 -5.519 -1.289) 5.668 3.522 ( 0.000 -5.073 6.530) 8.269 3.642 ( 0.000 2.308 -4.837) 5.360 3.806 ( 0.000 1.176 1.491) 1.899 3.806 ( 0.000 2.475 -3.043) 3.922 3.895 ( 0.000 4.552 -1.612) 4.829 3.980 ( 0.000 6.106 -0.971) 6.183 4.105 ( 0.000 4.489 -2.912) 5.351 4.242 ( 0.000 0.665 0.428) 0.791 4.319 ( 0.000 7.824 -13.383) 15.503 4.406 ( 0.000 -1.294 -2.168) 2.525 4.706 ( 0.000 0.764 -5.713) 5.764 4.729 ( 0.000 1.786 -5.062) 5.368 4.799 ( 0.000 -3.142 -1.782) 3.613 5.019 ( 0.000 -14.450 2.662) 14.694 13.797 ( 0.000 0.283 0.162) 0.327 13.810 ( 0.000 0.367 0.282) 0.463 13.812 ( 0.000 0.503 0.114) 0.516 13.871 ( 0.000 1.132 -2.160) 2.439 13.904 ( 0.000 -0.526 0.940) 1.077 13.968 ( 0.000 -0.621 1.501) 1.624 13.982 ( 0.000 -0.570 0.432) 0.715 14.007 ( 0.000 -1.170 0.030) 1.170 17.713 ( 0.000 -0.023 -0.175) 0.176 17.755 ( 0.000 -0.551 -0.128) 0.566 17.779 ( 0.000 -1.626 -0.072) 1.627 17.784 ( 0.000 -1.640 0.856) 1.850 27.141 ( 0.000 -2.007 0.031) 2.008 27.221 ( 0.000 -0.287 -0.140) 0.319 27.281 ( 0.000 -1.169 0.062) 1.171 27.299 ( 0.000 -0.773 0.850) 1.149 27.434 ( 0.000 0.734 2.582) 2.685 27.573 ( 0.000 -1.392 -0.265) 1.417 27.799 ( 0.000 -2.789 7.421) 7.927 27.956 ( 0.000 -3.851 2.168) 4.419 28.407 ( 0.000 15.774 -2.812) 16.023 28.557 ( 0.000 12.650 0.187) 12.652 28.806 ( 0.000 16.981 -19.732) 26.033 29.534 ( 0.000 -5.130 -1.648) 5.388 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.25 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 7.730 12.785 3.041) 15.247 0.936 ( 7.489 19.125 -3.870) 20.900 1.109 ( -8.682 7.169 2.354) 11.502 1.355 ( -7.525 10.314 6.257) 14.218 1.485 ( 5.617 2.225 -1.982) 6.358 1.574 ( 3.464 8.623 8.275) 12.443 1.711 ( 0.959 16.106 4.125) 16.653 1.743 ( -4.285 1.293 -0.338) 4.489 1.850 ( -0.012 10.746 7.721) 13.232 2.030 ( 4.707 21.507 6.795) 23.041 2.079 ( -1.048 7.707 0.381) 7.787 2.204 ( -0.104 5.983 4.347) 7.396 2.372 ( 0.907 5.706 -1.954) 6.099 2.480 ( -0.919 12.362 -1.037) 12.440 2.526 ( -0.886 4.676 0.001) 4.760 2.620 ( 3.845 -2.294 -1.702) 4.791 2.742 ( -2.391 1.351 1.226) 3.007 2.870 ( -11.463 -2.559 -0.041) 11.746 3.238 ( 2.560 -5.720 -5.059) 8.054 3.321 ( -0.507 -9.607 0.793) 9.653 3.349 ( 6.253 2.093 0.321) 6.601 3.450 ( 1.056 -7.215 1.277) 7.403 3.511 ( -0.346 -4.194 3.064) 5.206 3.644 ( 0.486 0.523 -2.681) 2.774 3.736 ( -4.713 1.036 0.351) 4.838 3.799 ( -3.244 -0.017 1.346) 3.512 3.893 ( 0.262 5.427 -2.283) 5.894 3.936 ( -2.991 8.201 -2.762) 9.156 4.149 ( 3.578 3.999 -2.345) 5.856 4.216 ( -0.747 2.751 -2.749) 3.961 4.394 ( 3.871 5.736 -7.757) 10.395 4.411 ( 0.570 -0.498 -2.166) 2.294 4.667 ( -2.435 1.118 -5.293) 5.932 4.691 ( -1.935 0.963 -6.556) 6.903 4.905 ( 7.083 -5.973 -2.778) 9.673 5.030 ( 0.486 -13.220 0.670) 13.246 13.801 ( 0.406 0.333 0.030) 0.526 13.809 ( -0.081 0.337 0.173) 0.388 13.815 ( 0.357 0.667 0.164) 0.774 13.856 ( -1.373 1.295 -1.526) 2.427 13.908 ( 0.431 -0.503 1.008) 1.206 13.941 ( -1.423 -0.340 1.504) 2.098 14.006 ( 1.097 -1.114 0.193) 1.575 14.012 ( 0.360 -1.206 0.020) 1.259 17.723 ( 0.894 -0.330 -0.552) 1.101 17.750 ( -0.449 -0.556 -0.538) 0.895 17.781 ( 0.212 -1.753 0.574) 1.857 17.785 ( 0.086 -1.739 0.710) 1.880 27.152 ( 1.229 -1.438 -0.110) 1.895 27.213 ( -1.005 -0.343 -0.235) 1.087 27.284 ( 0.378 -1.094 0.144) 1.166 27.298 ( -0.162 -0.807 0.765) 1.124 27.442 ( 1.008 1.136 2.839) 3.220 27.548 ( -2.947 -0.154 1.386) 3.260 27.801 ( 1.186 -2.588 5.337) 6.049 27.928 ( -3.041 -3.727 2.421) 5.385 28.404 ( 0.284 16.259 -4.031) 16.754 28.497 ( -4.083 15.142 -3.993) 16.183 28.936 ( 11.026 11.983 -10.992) 19.647 29.410 ( -11.634 -0.404 -0.960) 11.681 ======================= Grid point 57 (24/90) ======================= q-point: (-0.50 0.22 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( -9.952 11.103 0.261) 14.912 0.887 ( 9.952 11.103 0.261) 14.912 1.164 ( -11.277 12.974 3.335) 17.510 1.164 ( 11.277 12.974 3.335) 17.510 1.616 ( -7.380 1.176 -3.744) 8.358 1.616 ( 7.380 1.176 -3.744) 8.358 1.664 ( -4.588 6.108 9.062) 11.853 1.664 ( 4.588 6.108 9.062) 11.853 1.946 ( -7.737 18.573 4.533) 20.624 1.946 ( 7.737 18.573 4.533) 20.624 2.153 ( -5.124 17.685 6.337) 19.472 2.153 ( 5.124 17.685 6.337) 19.472 2.446 ( -3.114 4.443 -3.773) 6.609 2.446 ( 3.114 4.443 -3.773) 6.609 2.591 ( -9.198 -3.506 0.602) 9.862 2.591 ( 9.198 -3.506 0.602) 9.862 2.721 ( -5.755 1.377 -0.324) 5.926 2.721 ( 5.755 1.377 -0.324) 5.926 3.286 ( -2.415 -5.541 -2.021) 6.374 3.286 ( 2.415 -5.541 -2.021) 6.374 3.432 ( -2.770 -3.289 1.015) 4.418 3.432 ( 2.770 -3.289 1.015) 4.418 3.588 ( -6.809 -3.274 0.770) 7.594 3.588 ( 6.809 -3.274 0.770) 7.594 3.719 ( -3.550 0.628 0.766) 3.686 3.719 ( 3.550 0.628 0.766) 3.686 3.904 ( -0.849 7.223 -2.675) 7.749 3.904 ( 0.849 7.223 -2.675) 7.749 4.200 ( -1.592 3.662 -2.604) 4.767 4.200 ( 1.592 3.662 -2.604) 4.767 4.423 ( -0.361 2.790 -3.479) 4.474 4.423 ( 0.361 2.790 -3.479) 4.474 4.657 ( -1.171 0.670 -6.733) 6.867 4.657 ( 1.171 0.670 -6.733) 6.867 5.008 ( -3.391 -10.040 -2.234) 10.830 5.008 ( 3.391 -10.040 -2.234) 10.830 13.807 ( -0.182 0.305 0.050) 0.359 13.807 ( 0.182 0.305 0.050) 0.359 13.830 ( -1.238 1.140 -0.400) 1.730 13.830 ( 1.238 1.140 -0.400) 1.730 13.920 ( -0.838 -0.424 1.229) 1.547 13.920 ( 0.838 -0.424 1.229) 1.547 14.016 ( -0.036 -1.262 0.022) 1.263 14.016 ( 0.036 -1.262 0.022) 1.263 17.739 ( -0.761 -0.550 -0.851) 1.267 17.739 ( 0.761 -0.550 -0.851) 1.267 17.785 ( -0.131 -1.869 0.823) 2.047 17.785 ( 0.131 -1.869 0.823) 2.047 27.184 ( -1.925 -0.602 -0.353) 2.048 27.184 ( 1.925 -0.602 -0.353) 2.048 27.292 ( -0.405 -0.929 0.487) 1.125 27.292 ( 0.405 -0.929 0.487) 1.125 27.481 ( -3.286 1.393 3.082) 4.716 27.481 ( 3.286 1.393 3.082) 4.716 27.855 ( -4.080 -3.059 2.892) 5.863 27.855 ( 4.080 -3.059 2.892) 5.863 28.433 ( -2.714 15.979 -4.678) 16.870 28.433 ( 2.714 15.979 -4.678) 16.870 29.167 ( -13.296 6.337 -3.485) 15.136 29.167 ( 13.296 6.337 -3.485) 15.136 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 15.546 2.910) 15.816 1.237 ( 0.000 15.505 -8.338) 17.604 1.328 ( 0.000 4.709 0.218) 4.714 1.451 ( 0.000 2.893 -3.147) 4.275 1.618 ( 0.000 10.370 7.325) 12.696 1.786 ( 0.000 11.325 -1.584) 11.435 1.816 ( 0.000 -8.210 0.330) 8.217 1.825 ( 0.000 -0.395 -3.528) 3.550 2.021 ( 0.000 7.324 7.358) 10.382 2.139 ( 0.000 14.111 2.826) 14.391 2.241 ( 0.000 0.304 -1.424) 1.456 2.325 ( 0.000 14.531 2.570) 14.756 2.423 ( 0.000 -4.702 -3.094) 5.629 2.679 ( 0.000 15.082 1.399) 15.147 2.703 ( 0.000 3.749 -1.670) 4.104 2.789 ( 0.000 1.190 4.694) 4.842 2.830 ( 0.000 8.179 4.672) 9.419 3.025 ( 0.000 -10.473 0.526) 10.486 3.033 ( 0.000 5.210 -1.626) 5.458 3.143 ( 0.000 -1.396 -4.106) 4.337 3.353 ( 0.000 -2.879 -0.274) 2.892 3.379 ( 0.000 6.546 -0.004) 6.546 3.420 ( 0.000 -0.657 8.117) 8.144 3.659 ( 0.000 -0.525 -2.459) 2.515 3.797 ( 0.000 -1.229 1.971) 2.323 3.843 ( 0.000 1.051 -2.341) 2.566 3.919 ( 0.000 -2.527 -2.115) 3.295 4.103 ( 0.000 5.000 -0.974) 5.094 4.173 ( 0.000 1.856 -1.929) 2.677 4.293 ( 0.000 5.250 -0.840) 5.317 4.341 ( 0.000 -6.970 -8.133) 10.711 4.403 ( 0.000 2.255 -5.883) 6.300 4.675 ( 0.000 -3.992 -1.597) 4.299 4.678 ( 0.000 -5.476 1.416) 5.656 4.761 ( 0.000 -0.771 -6.871) 6.914 4.817 ( 0.000 -6.000 -4.566) 7.540 13.814 ( 0.000 1.369 0.212) 1.386 13.821 ( 0.000 0.770 0.436) 0.885 13.829 ( 0.000 1.216 0.153) 1.225 13.883 ( 0.000 -0.362 -0.594) 0.696 13.895 ( 0.000 0.046 0.256) 0.260 13.954 ( 0.000 -0.689 0.993) 1.209 13.969 ( 0.000 -0.995 0.203) 1.015 13.974 ( 0.000 -1.889 0.303) 1.914 17.714 ( 0.000 0.200 -0.189) 0.275 17.744 ( 0.000 -0.557 -0.227) 0.602 17.751 ( 0.000 -1.089 0.004) 1.089 17.757 ( 0.000 -1.141 0.069) 1.143 27.133 ( 0.000 0.964 -0.546) 1.107 27.221 ( 0.000 0.157 -0.397) 0.427 27.255 ( 0.000 -1.375 -0.273) 1.402 27.281 ( 0.000 -1.002 0.621) 1.178 27.455 ( 0.000 1.560 4.482) 4.746 27.565 ( 0.000 0.247 1.101) 1.129 27.728 ( 0.000 -3.745 8.896) 9.652 27.859 ( 0.000 -5.502 4.006) 6.806 28.714 ( 0.000 14.658 -4.234) 15.257 28.818 ( 0.000 13.054 -3.717) 13.573 29.030 ( 0.000 6.296 -14.027) 15.375 29.425 ( 0.000 -6.409 -2.916) 7.041 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.25 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( 4.698 13.681 1.804) 14.577 1.242 ( -6.538 7.512 -1.396) 10.056 1.302 ( 5.390 14.069 -5.033) 15.885 1.501 ( 4.539 1.766 -3.097) 5.772 1.573 ( -5.859 7.371 1.586) 9.548 1.717 ( -3.157 0.677 1.415) 3.525 1.759 ( -1.334 9.019 1.146) 9.189 1.896 ( -3.365 5.737 5.011) 8.327 2.080 ( 10.204 0.978 -0.695) 10.275 2.178 ( 3.298 10.738 1.209) 11.298 2.244 ( 0.863 0.191 -0.805) 1.196 2.401 ( 5.862 14.419 3.241) 15.899 2.438 ( 1.521 -4.410 -3.276) 5.700 2.637 ( -9.037 -0.684 -0.331) 9.069 2.653 ( -2.684 14.788 1.122) 15.071 2.735 ( -5.056 10.333 4.262) 12.268 2.778 ( -0.720 0.043 2.104) 2.224 2.928 ( -4.320 4.314 0.317) 6.113 3.161 ( 6.220 -2.361 1.532) 6.827 3.185 ( 3.496 -0.755 -2.929) 4.623 3.334 ( -1.742 -3.627 -0.762) 4.095 3.380 ( -1.832 0.298 4.676) 5.031 3.458 ( 5.438 3.113 2.192) 6.638 3.645 ( -0.972 -0.339 -2.280) 2.502 3.734 ( -4.990 -0.724 1.259) 5.197 3.792 ( -5.204 -1.008 0.924) 5.381 3.939 ( 2.400 -1.708 -2.829) 4.084 4.061 ( -4.132 2.321 -3.158) 5.694 4.212 ( 4.581 3.068 -2.019) 5.871 4.287 ( -0.310 5.519 -1.473) 5.720 4.398 ( 3.173 -0.762 -2.421) 4.063 4.465 ( 4.882 1.172 -8.834) 10.161 4.645 ( -1.739 -2.731 -2.746) 4.245 4.692 ( -3.068 -0.839 -4.498) 5.509 4.733 ( 2.543 -9.726 -0.380) 10.060 4.836 ( 0.166 -7.071 -5.416) 8.908 13.816 ( 0.199 1.157 0.205) 1.192 13.821 ( -0.065 0.822 0.370) 0.904 13.835 ( 0.723 1.366 0.013) 1.545 13.877 ( -0.839 0.513 -1.023) 1.419 13.897 ( 0.344 -0.484 0.876) 1.058 13.932 ( -1.462 -0.447 1.156) 1.917 13.978 ( 0.446 -2.120 0.195) 2.175 13.982 ( 0.527 -1.293 0.245) 1.417 17.719 ( 0.491 0.008 -0.290) 0.570 17.739 ( -0.411 -0.514 -0.397) 0.768 17.753 ( 0.151 -1.087 0.180) 1.112 17.757 ( -0.029 -1.169 0.123) 1.176 27.150 ( 1.705 1.004 -0.659) 2.086 27.214 ( -0.861 0.455 -0.391) 1.049 27.259 ( 0.486 -1.459 -0.305) 1.568 27.279 ( -0.278 -1.079 0.484) 1.215 27.469 ( 1.532 1.850 4.516) 5.115 27.558 ( -1.257 1.257 2.019) 2.691 27.727 ( 0.652 -4.442 7.611) 8.836 27.833 ( -2.714 -5.479 4.145) 7.387 28.716 ( 0.545 14.859 -4.844) 15.638 28.788 ( -2.537 13.945 -4.614) 14.906 29.096 ( 6.191 4.129 -10.621) 12.969 29.365 ( -5.859 -4.248 -3.585) 8.076 ======================= Grid point 62 (27/90) ======================= q-point: (-0.50 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( -7.577 10.219 0.003) 12.722 1.099 ( 7.577 10.219 0.003) 12.722 1.437 ( -7.963 10.929 -2.210) 13.702 1.437 ( 7.963 10.929 -2.210) 13.702 1.607 ( -6.547 1.303 -2.755) 7.221 1.607 ( 6.547 1.303 -2.755) 7.221 1.810 ( -4.511 7.906 6.467) 11.166 1.810 ( 4.511 7.906 6.467) 11.166 2.207 ( -1.462 7.005 -2.269) 7.507 2.207 ( 1.462 7.005 -2.269) 7.507 2.364 ( -11.099 -3.946 0.068) 11.780 2.364 ( 11.099 -3.946 0.068) 11.780 2.499 ( -2.666 4.893 0.754) 5.623 2.499 ( 2.666 4.893 0.754) 5.623 2.631 ( -2.573 12.853 1.819) 13.233 2.631 ( 2.573 12.853 1.819) 13.233 2.839 ( -4.867 3.900 1.955) 6.536 2.839 ( 4.867 3.900 1.955) 6.536 3.232 ( -1.069 2.089 -0.351) 2.373 3.232 ( 1.069 2.089 -0.351) 2.373 3.326 ( -2.520 -5.445 2.322) 6.434 3.326 ( 2.520 -5.445 2.322) 6.434 3.583 ( -6.590 2.408 -0.209) 7.019 3.583 ( 6.590 2.408 -0.209) 7.019 3.702 ( -2.847 -2.311 1.298) 3.890 3.702 ( 2.847 -2.311 1.298) 3.890 3.994 ( -3.191 0.075 -3.282) 4.578 3.994 ( 3.191 0.075 -3.282) 4.578 4.273 ( -1.630 4.879 -1.621) 5.394 4.273 ( 1.630 4.879 -1.621) 5.394 4.473 ( -3.855 2.303 -4.241) 6.177 4.473 ( 3.855 2.303 -4.241) 6.177 4.640 ( -1.783 -2.356 -4.760) 5.603 4.640 ( 1.783 -2.356 -4.760) 5.603 4.803 ( -3.491 -10.176 -3.479) 11.307 4.803 ( 3.491 -10.176 -3.479) 11.307 13.819 ( -0.103 0.921 0.282) 0.969 13.819 ( 0.103 0.921 0.282) 0.969 13.855 ( -1.291 1.302 -0.558) 1.917 13.855 ( 1.291 1.302 -0.558) 1.917 13.909 ( -0.958 -0.610 1.153) 1.618 13.909 ( 0.958 -0.610 1.153) 1.618 13.985 ( -0.210 -1.833 0.180) 1.854 13.985 ( 0.210 -1.833 0.180) 1.854 17.730 ( -0.573 -0.313 -0.439) 0.786 17.730 ( 0.573 -0.313 -0.439) 0.786 17.756 ( -0.098 -1.154 0.227) 1.180 17.756 ( 0.098 -1.154 0.227) 1.180 27.187 ( -1.971 0.823 -0.679) 2.242 27.187 ( 1.971 0.823 -0.679) 2.242 27.270 ( -0.610 -1.287 0.086) 1.427 27.270 ( 0.610 -1.287 0.086) 1.427 27.513 ( -2.963 2.159 4.039) 5.455 27.513 ( 2.963 2.159 4.039) 5.455 27.770 ( -3.518 -5.217 5.024) 8.052 27.770 ( 3.518 -5.217 5.024) 8.052 28.741 ( -2.111 14.765 -5.048) 15.747 28.741 ( 2.111 14.765 -5.048) 15.747 29.232 ( -7.777 0.067 -6.177) 9.932 29.232 ( 7.777 0.067 -6.177) 9.932 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 14.249 1.286) 14.307 1.390 ( 0.000 0.567 -3.849) 3.891 1.401 ( 0.000 2.784 -0.969) 2.948 1.513 ( 0.000 -5.877 -1.183) 5.995 1.632 ( 0.000 3.128 -3.703) 4.847 1.762 ( 0.000 -5.606 -4.925) 7.462 1.865 ( 0.000 9.925 4.170) 10.766 1.973 ( 0.000 3.465 -1.489) 3.772 2.101 ( 0.000 2.967 0.648) 3.037 2.245 ( 0.000 -7.438 -3.718) 8.315 2.338 ( 0.000 9.990 2.205) 10.230 2.410 ( 0.000 8.577 -0.927) 8.627 2.531 ( 0.000 1.545 2.545) 2.977 2.633 ( 0.000 -8.064 -0.349) 8.072 2.734 ( 0.000 -1.097 3.423) 3.595 2.820 ( 0.000 -4.918 -0.362) 4.931 2.959 ( 0.000 2.860 -0.175) 2.865 2.983 ( 0.000 13.631 4.014) 14.210 3.047 ( 0.000 -5.804 1.486) 5.992 3.211 ( 0.000 -9.362 3.495) 9.993 3.280 ( 0.000 13.633 -0.384) 13.639 3.466 ( 0.000 -2.328 -2.084) 3.124 3.641 ( 0.000 13.839 0.362) 13.844 3.660 ( 0.000 3.632 0.731) 3.705 3.780 ( 0.000 -0.360 1.467) 1.511 3.816 ( 0.000 -5.959 -0.077) 5.959 3.867 ( 0.000 2.569 -2.683) 3.715 4.088 ( 0.000 -14.451 -5.189) 15.354 4.173 ( 0.000 0.170 -1.447) 1.457 4.184 ( 0.000 -0.292 -1.495) 1.523 4.428 ( 0.000 7.419 -1.984) 7.680 4.472 ( 0.000 4.650 -4.478) 6.456 4.569 ( 0.000 -6.019 -1.064) 6.113 4.579 ( 0.000 -5.296 -2.660) 5.927 4.745 ( 0.000 -0.815 -5.571) 5.630 4.745 ( 0.000 -1.434 -4.372) 4.601 13.840 ( 0.000 1.140 0.494) 1.242 13.845 ( 0.000 1.579 0.345) 1.616 13.856 ( 0.000 0.979 0.210) 1.002 13.865 ( 0.000 -1.169 0.412) 1.240 13.897 ( 0.000 0.130 0.441) 0.460 13.925 ( 0.000 -2.345 0.364) 2.373 13.948 ( 0.000 0.146 0.060) 0.158 13.957 ( 0.000 -0.651 0.047) 0.653 17.721 ( 0.000 0.498 -0.180) 0.529 17.733 ( 0.000 -0.606 -0.124) 0.619 17.737 ( 0.000 -0.292 -0.085) 0.304 17.740 ( 0.000 -0.527 -0.222) 0.571 27.167 ( 0.000 2.200 -1.040) 2.433 27.209 ( 0.000 -1.759 -1.153) 2.103 27.243 ( 0.000 0.538 0.190) 0.570 27.261 ( 0.000 -1.038 0.360) 1.099 27.499 ( 0.000 2.821 5.664) 6.328 27.555 ( 0.000 -2.055 4.339) 4.801 27.691 ( 0.000 0.928 6.459) 6.525 27.754 ( 0.000 -4.751 4.636) 6.638 28.958 ( 0.000 9.345 -7.857) 12.209 29.062 ( 0.000 11.637 -3.422) 12.130 29.070 ( 0.000 -1.947 -10.890) 11.063 29.271 ( 0.000 -9.263 -3.093) 9.766 ======================= Grid point 66 (29/90) ======================= q-point: ( 0.25 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 1.193 12.295 0.435) 12.360 1.361 ( -3.625 5.001 -0.817) 6.231 1.407 ( 1.318 -2.346 -2.627) 3.761 1.483 ( -2.847 -8.175 -0.605) 8.678 1.668 ( 5.205 10.740 -5.104) 12.980 1.855 ( 5.742 -5.550 -3.015) 8.536 1.879 ( 0.679 8.629 2.284) 8.952 1.940 ( -2.534 4.231 -0.915) 5.016 2.121 ( 3.213 3.026 0.193) 4.418 2.237 ( -0.603 -6.653 -3.509) 7.546 2.284 ( -3.890 6.355 0.468) 7.466 2.405 ( -3.389 -0.447 -1.547) 3.752 2.550 ( 1.935 1.537 3.174) 4.022 2.659 ( -2.638 5.508 1.162) 6.216 2.679 ( 3.729 -4.441 1.279) 5.939 2.842 ( -2.640 -8.374 1.073) 8.846 2.928 ( -0.300 8.784 2.231) 9.068 2.967 ( -1.393 13.207 3.355) 13.697 3.086 ( 3.027 -6.780 1.006) 7.493 3.196 ( -1.792 -9.219 2.639) 9.756 3.321 ( 4.518 12.066 -0.496) 12.894 3.502 ( 3.734 -4.006 -1.542) 5.689 3.581 ( -6.111 12.636 0.606) 14.049 3.674 ( 1.021 5.825 1.103) 6.016 3.724 ( -4.981 -1.846 0.909) 5.390 3.783 ( -5.957 3.635 -1.057) 7.058 3.840 ( 2.431 -7.201 -0.854) 7.648 3.978 ( -5.309 -9.989 -3.386) 11.808 4.284 ( 8.600 3.520 -2.353) 9.586 4.352 ( 10.094 -3.614 -3.633) 11.320 4.423 ( -0.552 7.461 -2.104) 7.772 4.491 ( 2.387 2.931 -4.956) 6.233 4.568 ( -0.727 -6.185 -2.437) 6.687 4.579 ( 0.782 -5.046 -1.483) 5.317 4.683 ( -5.080 0.455 -3.621) 6.255 4.725 ( -3.444 -3.890 -5.268) 7.399 13.841 ( 0.053 1.199 0.495) 1.299 13.844 ( -0.099 1.479 0.392) 1.533 13.860 ( 0.331 0.347 0.095) 0.489 13.866 ( 0.118 -1.065 0.298) 1.112 13.898 ( 0.271 0.690 0.549) 0.923 13.931 ( 0.099 -1.236 0.224) 1.260 13.935 ( -0.575 -0.288 0.293) 0.706 13.956 ( -0.276 -1.305 0.055) 1.335 17.724 ( 0.230 0.405 -0.196) 0.506 17.733 ( -0.096 -0.226 -0.194) 0.313 17.737 ( -0.024 -0.570 -0.065) 0.574 17.739 ( -0.056 -0.569 -0.162) 0.594 27.182 ( 1.433 1.995 -0.996) 2.651 27.219 ( 0.836 -1.209 -0.920) 1.734 27.237 ( -0.631 0.333 -0.099) 0.720 27.256 ( -0.500 -1.176 0.156) 1.288 27.519 ( 2.132 3.185 5.591) 6.778 27.576 ( 1.977 -1.117 3.956) 4.562 27.663 ( -2.426 -0.022 6.616) 7.047 27.726 ( -2.811 -4.933 4.674) 7.354 28.968 ( 1.142 10.045 -7.325) 12.484 29.040 ( -1.840 11.420 -4.295) 12.338 29.103 ( 2.980 -3.149 -9.068) 10.051 29.241 ( -2.986 -8.308 -3.941) 9.668 ======================= Grid point 67 (30/90) ======================= q-point: (-0.50 0.44 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -3.595 8.697 -0.399) 9.419 1.288 ( 3.595 8.697 -0.399) 9.419 1.436 ( -1.944 -5.967 -1.340) 6.417 1.436 ( 1.944 -5.967 -1.340) 6.417 1.795 ( -7.071 11.777 -3.979) 14.301 1.795 ( 7.071 11.777 -3.979) 14.301 1.926 ( -1.268 0.978 1.285) 2.054 1.926 ( 1.268 0.978 1.285) 2.054 2.235 ( -0.853 -2.413 -2.623) 3.665 2.235 ( 0.853 -2.413 -2.623) 3.665 2.256 ( -9.195 -2.907 -0.948) 9.690 2.256 ( 9.195 -2.907 -0.948) 9.690 2.616 ( -3.571 6.983 2.103) 8.120 2.616 ( 3.571 6.983 2.103) 8.120 2.758 ( -4.576 -6.150 1.804) 7.875 2.758 ( 4.576 -6.150 1.804) 7.875 2.941 ( -1.171 12.161 3.075) 12.599 2.941 ( 1.171 12.161 3.075) 12.599 3.146 ( -3.228 -8.593 1.152) 9.251 3.146 ( 3.228 -8.593 1.152) 9.251 3.440 ( -7.712 10.507 0.165) 13.034 3.440 ( 7.712 10.507 0.165) 13.034 3.603 ( -6.748 -5.463 -0.066) 8.682 3.603 ( 6.748 -5.463 -0.066) 8.682 3.708 ( -2.620 8.076 0.440) 8.502 3.708 ( 2.620 8.076 0.440) 8.502 3.899 ( -3.634 -8.737 -2.049) 9.682 3.899 ( 3.634 -8.737 -2.049) 9.682 4.397 ( -2.852 6.992 -2.439) 7.935 4.397 ( 2.852 6.992 -2.439) 7.935 4.500 ( -5.529 -1.071 -5.304) 7.736 4.500 ( 5.529 -1.071 -5.304) 7.736 4.583 ( -3.749 -1.838 -2.283) 4.759 4.583 ( 3.749 -1.838 -2.283) 4.759 4.632 ( -4.881 -6.190 -3.360) 8.569 4.632 ( 4.881 -6.190 -3.360) 8.569 13.842 ( -0.071 1.336 0.457) 1.414 13.842 ( 0.071 1.336 0.457) 1.414 13.865 ( -0.230 -0.668 0.101) 0.714 13.865 ( 0.230 -0.668 0.101) 0.714 13.911 ( -1.110 1.247 0.483) 1.738 13.911 ( 1.110 1.247 0.483) 1.738 13.946 ( -0.722 -1.998 0.174) 2.132 13.946 ( 0.722 -1.998 0.174) 2.132 17.729 ( -0.281 0.197 -0.224) 0.410 17.729 ( 0.281 0.197 -0.224) 0.410 17.738 ( -0.083 -0.692 -0.087) 0.703 17.738 ( 0.083 -0.692 -0.087) 0.703 27.211 ( -1.456 1.505 -0.670) 2.198 27.211 ( 1.456 1.505 -0.670) 2.198 27.242 ( -0.943 -1.542 -0.359) 1.843 27.242 ( 0.943 -1.542 -0.359) 1.843 27.572 ( -2.993 3.874 4.904) 6.929 27.572 ( 2.993 3.874 4.904) 6.929 27.664 ( -3.179 -5.220 5.378) 8.141 27.664 ( 3.179 -5.220 5.378) 8.141 29.000 ( -2.176 11.130 -5.710) 12.697 29.000 ( 2.176 11.130 -5.710) 12.697 29.172 ( -4.058 -6.014 -6.290) 9.602 29.172 ( 4.058 -6.014 -6.290) 9.602 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( 0.000 0.000 17.259) 17.259 0.905 ( 0.000 0.000 20.359) 20.359 1.282 ( 0.000 0.000 8.135) 8.135 1.297 ( 0.000 0.000 32.443) 32.443 1.303 ( 0.000 0.000 -4.867) 4.867 1.355 ( 0.000 0.000 12.083) 12.083 1.495 ( 0.000 0.000 9.868) 9.868 1.693 ( 0.000 0.000 17.774) 17.774 1.696 ( 0.000 0.000 1.490) 1.490 2.041 ( 0.000 0.000 0.584) 0.584 2.049 ( 0.000 0.000 15.679) 15.679 2.072 ( 0.000 0.000 7.856) 7.856 2.274 ( 0.000 0.000 14.461) 14.461 2.314 ( 0.000 0.000 -4.455) 4.455 2.353 ( 0.000 0.000 0.796) 0.796 2.645 ( 0.000 0.000 -0.621) 0.621 2.862 ( 0.000 0.000 -0.811) 0.811 3.216 ( 0.000 0.000 -1.938) 1.938 3.250 ( 0.000 0.000 -9.118) 9.118 3.283 ( 0.000 0.000 -6.233) 6.233 3.295 ( 0.000 0.000 3.895) 3.895 3.335 ( 0.000 0.000 -7.806) 7.806 3.401 ( 0.000 0.000 -8.846) 8.846 3.582 ( 0.000 0.000 -2.096) 2.096 3.689 ( 0.000 0.000 -4.183) 4.183 3.787 ( 0.000 0.000 -4.691) 4.691 3.807 ( 0.000 0.000 1.456) 1.456 3.861 ( 0.000 0.000 0.784) 0.784 3.971 ( 0.000 0.000 0.594) 0.594 4.025 ( 0.000 0.000 -0.375) 0.375 4.120 ( 0.000 0.000 -2.737) 2.737 4.193 ( 0.000 0.000 -1.426) 1.426 4.538 ( 0.000 0.000 -1.442) 1.442 4.553 ( 0.000 0.000 -6.019) 6.019 4.887 ( 0.000 0.000 -1.774) 1.774 5.564 ( 0.000 0.000 -7.750) 7.750 13.804 ( 0.000 0.000 0.074) 0.074 13.806 ( 0.000 0.000 0.079) 0.079 13.811 ( 0.000 0.000 0.166) 0.166 13.811 ( 0.000 0.000 0.166) 0.166 13.941 ( 0.000 0.000 1.345) 1.345 13.998 ( 0.000 0.000 0.240) 0.240 14.004 ( 0.000 0.000 0.564) 0.564 14.018 ( 0.000 0.000 -0.090) 0.090 17.714 ( 0.000 0.000 0.177) 0.177 17.772 ( 0.000 0.000 0.024) 0.024 17.812 ( 0.000 0.000 -0.837) 0.837 17.888 ( 0.000 0.000 -1.464) 1.464 27.239 ( 0.000 0.000 0.073) 0.073 27.294 ( 0.000 0.000 2.035) 2.035 27.319 ( 0.000 0.000 -0.105) 0.105 27.333 ( 0.000 0.000 0.482) 0.482 27.476 ( 0.000 0.000 -2.461) 2.461 27.479 ( 0.000 0.000 1.956) 1.956 27.677 ( 0.000 0.000 1.562) 1.562 27.761 ( 0.000 0.000 -2.337) 2.337 27.941 ( 0.000 0.000 -2.405) 2.405 28.058 ( 0.000 0.000 0.416) 0.416 28.566 ( 0.000 0.000 14.989) 14.989 29.641 ( 0.000 0.000 -5.438) 5.438 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.25 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 15.340 0.000 13.951) 20.735 0.943 ( 3.912 0.000 19.131) 19.527 1.174 ( -7.295 0.000 12.320) 14.318 1.289 ( -9.435 0.000 18.045) 20.363 1.342 ( 3.566 0.000 -3.864) 5.258 1.411 ( 5.471 0.000 23.813) 24.433 1.422 ( 2.705 0.000 4.367) 5.137 1.702 ( 1.279 0.000 4.045) 4.243 1.800 ( 4.424 0.000 15.636) 16.249 1.901 ( -8.099 0.000 6.623) 10.463 2.020 ( -3.557 0.000 16.356) 16.738 2.075 ( -13.801 0.000 14.345) 19.906 2.192 ( 6.166 0.000 2.531) 6.666 2.337 ( -1.743 0.000 0.870) 1.948 2.400 ( 8.458 0.000 -3.610) 9.196 2.742 ( 5.066 0.000 0.560) 5.097 2.805 ( -4.477 0.000 -3.912) 5.945 3.089 ( -8.887 0.000 0.818) 8.925 3.254 ( 0.389 0.000 -8.646) 8.655 3.276 ( -0.604 0.000 -6.709) 6.736 3.347 ( 1.121 0.000 -7.910) 7.989 3.372 ( 4.276 0.000 2.092) 4.760 3.392 ( -0.842 0.000 -8.678) 8.719 3.544 ( -6.953 0.000 -2.516) 7.394 3.680 ( 8.362 0.000 -1.248) 8.455 3.813 ( 0.616 0.000 1.395) 1.525 3.850 ( -1.000 0.000 0.976) 1.398 3.926 ( 5.886 0.000 -4.085) 7.165 3.981 ( 0.988 0.000 0.360) 1.052 4.019 ( -0.642 0.000 -0.275) 0.699 4.071 ( -3.493 0.000 -4.570) 5.752 4.175 ( -2.205 0.000 -3.447) 4.092 4.515 ( -0.469 0.000 -3.465) 3.497 4.553 ( -0.843 0.000 -4.554) 4.632 5.010 ( 11.308 0.000 -2.282) 11.536 5.466 ( -9.551 0.000 -5.764) 11.156 13.804 ( 0.029 0.000 0.074) 0.079 13.805 ( -0.025 0.000 0.077) 0.081 13.811 ( 0.005 0.000 0.167) 0.167 13.811 ( -0.009 0.000 0.167) 0.167 13.944 ( 0.358 0.000 1.334) 1.382 13.974 ( -1.258 0.000 1.044) 1.635 14.022 ( 0.647 0.000 -0.112) 0.656 14.027 ( 0.721 0.000 -0.302) 0.782 17.723 ( 0.761 0.000 -0.035) 0.762 17.758 ( -1.044 0.000 -0.099) 1.049 17.831 ( 1.499 0.000 -0.809) 1.703 17.880 ( -0.843 0.000 -1.251) 1.509 27.251 ( 1.312 0.000 0.255) 1.336 27.314 ( 2.113 0.000 1.978) 2.894 27.315 ( -0.559 0.000 -0.260) 0.617 27.334 ( 0.117 0.000 0.639) 0.649 27.396 ( -5.068 0.000 1.311) 5.235 27.440 ( -3.541 0.000 1.833) 3.987 27.773 ( 6.962 0.000 -2.015) 7.248 27.799 ( 3.473 0.000 -2.212) 4.117 27.922 ( -2.045 0.000 -2.350) 3.115 27.997 ( -5.130 0.000 -0.159) 5.133 28.742 ( 16.412 0.000 11.883) 20.262 29.465 ( -16.812 0.000 0.279) 16.814 ======================= Grid point 92 (33/90) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( -6.480 0.000 16.127) 17.380 1.042 ( 6.480 0.000 16.127) 17.380 1.049 ( -14.304 0.000 13.502) 19.670 1.049 ( 14.304 0.000 13.502) 19.670 1.414 ( -3.149 0.000 -2.600) 4.084 1.414 ( 3.149 0.000 -2.600) 4.084 1.644 ( -16.113 0.000 20.769) 26.287 1.644 ( 16.113 0.000 20.769) 26.287 1.768 ( -5.760 0.000 8.002) 9.859 1.768 ( 5.760 0.000 8.002) 9.859 1.979 ( -2.825 0.000 15.596) 15.850 1.979 ( 2.825 0.000 15.596) 15.850 2.285 ( -3.848 0.000 1.280) 4.055 2.285 ( 3.848 0.000 1.280) 4.055 2.597 ( -11.637 0.000 -3.631) 12.190 2.597 ( 11.637 0.000 -3.631) 12.190 2.919 ( -9.089 0.000 -0.418) 9.098 2.919 ( 9.089 0.000 -0.418) 9.098 3.264 ( -0.676 0.000 -7.657) 7.687 3.264 ( 0.676 0.000 -7.657) 7.687 3.371 ( -1.331 0.000 -8.283) 8.390 3.371 ( 1.331 0.000 -8.283) 8.390 3.445 ( -4.074 0.000 0.423) 4.096 3.445 ( 4.074 0.000 0.423) 4.096 3.829 ( -1.100 0.000 1.236) 1.655 3.829 ( 1.100 0.000 1.236) 1.655 3.860 ( -9.423 0.000 -0.208) 9.425 3.860 ( 9.423 0.000 -0.208) 9.425 4.002 ( -1.089 0.000 -0.010) 1.089 4.002 ( 1.089 0.000 -0.010) 1.089 4.109 ( -4.626 0.000 -7.206) 8.563 4.109 ( 4.626 0.000 -7.206) 8.563 4.529 ( -1.458 0.000 -4.131) 4.381 4.529 ( 1.458 0.000 -4.131) 4.381 5.247 ( -13.031 0.000 -3.518) 13.498 5.247 ( 13.031 0.000 -3.518) 13.498 13.805 ( -0.038 0.000 0.074) 0.083 13.805 ( 0.038 0.000 0.074) 0.083 13.811 ( -0.010 0.000 0.168) 0.168 13.811 ( 0.010 0.000 0.168) 0.168 13.955 ( -0.769 0.000 1.272) 1.486 13.955 ( 0.769 0.000 1.272) 1.486 14.031 ( -0.245 0.000 -0.301) 0.388 14.031 ( 0.245 0.000 -0.301) 0.388 17.739 ( -0.966 0.000 -0.172) 0.981 17.739 ( 0.966 0.000 -0.172) 0.981 17.859 ( -1.404 0.000 -0.943) 1.691 17.859 ( 1.404 0.000 -0.943) 1.691 27.286 ( -2.314 0.000 0.259) 2.328 27.286 ( 2.314 0.000 0.259) 2.328 27.341 ( -0.974 0.000 1.331) 1.649 27.341 ( 0.974 0.000 1.331) 1.649 27.369 ( -3.623 0.000 1.857) 4.072 27.369 ( 3.623 0.000 1.857) 4.072 27.868 ( -3.527 0.000 -2.233) 4.174 27.868 ( 3.527 0.000 -2.233) 4.174 27.893 ( -5.921 0.000 -1.934) 6.229 27.893 ( 5.921 0.000 -1.934) 6.229 29.100 ( -20.600 0.000 7.176) 21.814 29.100 ( 20.600 0.000 7.176) 21.814 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 0.000 3.762 14.459) 14.940 0.800 ( 0.000 -3.582 20.910) 21.214 1.287 ( 0.000 2.724 -2.073) 3.423 1.304 ( 0.000 1.835 8.883) 9.070 1.411 ( 0.000 6.103 6.617) 9.002 1.541 ( 0.000 3.917 7.738) 8.673 1.615 ( 0.000 16.892 24.149) 29.470 1.706 ( 0.000 1.379 -0.527) 1.476 1.801 ( 0.000 13.303 15.548) 20.462 2.002 ( 0.000 0.235 6.983) 6.987 2.090 ( 0.000 0.711 4.771) 4.824 2.172 ( 0.000 6.911 7.897) 10.494 2.294 ( 0.000 -0.450 -3.146) 3.178 2.321 ( 0.000 4.812 7.731) 9.106 2.435 ( 0.000 8.706 6.245) 10.714 2.604 ( 0.000 -3.835 -2.049) 4.348 2.803 ( 0.000 -2.664 2.548) 3.686 3.099 ( 0.000 -5.132 -1.165) 5.263 3.192 ( 0.000 -5.250 -8.272) 9.797 3.256 ( 0.000 -2.234 0.033) 2.234 3.418 ( 0.000 4.871 -5.417) 7.285 3.431 ( 0.000 5.835 -6.410) 8.669 3.571 ( 0.000 12.616 -9.946) 16.065 3.576 ( 0.000 0.698 -2.009) 2.127 3.634 ( 0.000 -11.459 -0.393) 11.465 3.692 ( 0.000 1.513 -2.841) 3.219 3.850 ( 0.000 1.739 1.731) 2.454 3.916 ( 0.000 2.106 -1.223) 2.435 3.969 ( 0.000 1.213 -1.888) 2.244 3.988 ( 0.000 3.507 0.260) 3.517 4.215 ( 0.000 1.714 -1.092) 2.032 4.281 ( 0.000 7.901 -5.623) 9.698 4.549 ( 0.000 1.513 -3.428) 3.747 4.553 ( 0.000 0.169 -6.634) 6.636 4.848 ( 0.000 -3.764 -2.303) 4.413 5.374 ( 0.000 -16.444 -4.190) 16.969 13.805 ( 0.000 -0.373 0.252) 0.450 13.809 ( 0.000 0.226 0.207) 0.307 13.810 ( 0.000 0.040 0.179) 0.183 13.819 ( 0.000 1.226 -0.333) 1.270 13.937 ( 0.000 -0.415 1.269) 1.335 13.995 ( 0.000 -0.282 0.431) 0.515 14.001 ( 0.000 -0.295 0.567) 0.639 14.018 ( 0.000 -0.113 -0.093) 0.147 17.713 ( 0.000 -0.103 0.153) 0.185 17.766 ( 0.000 -0.567 -0.047) 0.569 17.801 ( 0.000 -1.083 -0.693) 1.286 17.849 ( 0.000 -3.070 -0.310) 3.085 27.231 ( 0.000 -0.701 -0.047) 0.702 27.235 ( 0.000 -6.096 1.417) 6.259 27.303 ( 0.000 -1.371 -0.497) 1.459 27.326 ( 0.000 -0.583 0.322) 0.666 27.428 ( 0.000 4.405 1.027) 4.523 27.633 ( 0.000 -2.349 2.504) 3.433 27.836 ( 0.000 5.725 -0.940) 5.802 27.845 ( 0.000 19.195 -6.756) 20.349 28.066 ( 0.000 11.124 -3.166) 11.566 28.116 ( 0.000 8.106 -2.559) 8.500 28.559 ( 0.000 -0.229 12.244) 12.246 29.578 ( 0.000 -5.645 -5.101) 7.608 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.25 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 14.015 2.239 11.852) 18.491 0.841 ( 4.207 -3.610 19.360) 20.138 1.181 ( -7.363 0.935 11.353) 13.563 1.346 ( 2.483 2.134 -1.352) 3.542 1.386 ( -7.705 5.225 7.407) 11.897 1.475 ( 0.000 8.319 3.299) 8.949 1.670 ( 3.427 12.839 16.103) 20.877 1.729 ( 4.068 3.893 7.753) 9.582 1.852 ( 0.070 8.463 12.697) 15.259 1.947 ( -1.720 4.944 8.400) 9.898 2.057 ( -4.525 3.468 12.495) 13.735 2.178 ( -7.158 7.120 10.015) 14.221 2.246 ( 2.722 5.746 2.305) 6.763 2.325 ( 0.944 0.740 -1.174) 1.678 2.443 ( 4.305 4.886 1.398) 6.660 2.685 ( 6.062 -6.239 -1.501) 8.828 2.759 ( -5.409 -0.914 0.553) 5.514 2.987 ( -9.182 -6.914 0.647) 11.512 3.211 ( 2.112 -3.945 -7.877) 9.059 3.286 ( 0.562 -0.285 -5.534) 5.569 3.403 ( -0.464 1.623 -0.964) 1.944 3.434 ( -0.399 4.694 -6.314) 7.878 3.537 ( -1.141 8.138 -5.182) 9.715 3.567 ( -0.976 6.699 -3.238) 7.504 3.641 ( 3.887 -3.315 0.040) 5.109 3.802 ( 5.084 -5.046 -2.304) 7.524 3.846 ( -1.842 0.213 1.351) 2.294 3.863 ( -2.817 -3.849 0.589) 4.806 3.983 ( 1.706 6.475 -3.097) 7.378 4.018 ( 1.887 3.429 -1.739) 4.283 4.217 ( 0.119 3.554 -3.199) 4.783 4.261 ( -1.992 8.766 -5.681) 10.634 4.514 ( -1.163 0.254 -4.699) 4.848 4.549 ( -1.203 -0.277 -5.328) 5.469 4.959 ( 9.837 -4.903 -2.981) 11.388 5.313 ( -6.312 -13.681 -4.029) 15.596 13.806 ( 0.086 -0.308 0.219) 0.388 13.809 ( -0.031 0.052 0.183) 0.192 13.810 ( 0.030 0.232 0.188) 0.300 13.816 ( -0.256 1.008 -0.138) 1.050 13.940 ( 0.411 -0.370 1.255) 1.372 13.971 ( -1.257 -0.229 1.020) 1.635 14.021 ( 0.736 -0.222 -0.036) 0.770 14.023 ( 0.567 -0.330 -0.173) 0.679 17.721 ( 0.700 -0.173 -0.034) 0.722 17.754 ( -0.945 -0.428 -0.147) 1.048 17.815 ( 1.139 -1.422 -0.633) 1.929 17.846 ( -0.361 -2.776 -0.412) 2.830 27.220 ( -0.371 -2.926 0.514) 2.994 27.238 ( -0.519 -3.971 0.621) 4.053 27.306 ( 0.458 -1.163 -0.286) 1.282 27.324 ( -0.226 -0.669 0.264) 0.754 27.438 ( 1.377 5.289 2.047) 5.836 27.585 ( -5.122 3.403 3.111) 6.892 27.789 ( 1.408 6.105 -2.048) 6.592 27.953 ( 4.915 9.507 -3.100) 11.142 27.976 ( -5.935 7.207 -2.405) 9.641 28.104 ( -1.986 10.902 -3.474) 11.613 28.749 ( 16.785 1.044 8.107) 18.669 29.427 ( -14.676 -3.425 -1.231) 15.121 ======================= Grid point 97 (36/90) ======================= q-point: (-0.50 0.11 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -2.727 -2.232 14.503) 14.924 0.929 ( 2.727 -2.232 14.503) 14.924 1.169 ( -10.036 3.569 11.673) 15.802 1.169 ( 10.036 3.569 11.673) 15.802 1.439 ( -4.187 4.366 -4.207) 7.369 1.439 ( 4.187 4.366 -4.207) 7.369 1.758 ( -6.012 6.181 10.296) 13.430 1.758 ( 6.012 6.181 10.296) 13.430 1.861 ( -7.974 9.896 16.003) 20.436 1.861 ( 7.974 9.896 16.003) 20.436 2.053 ( -4.405 8.267 11.654) 14.952 2.053 ( 4.405 8.267 11.654) 14.952 2.312 ( -2.263 2.866 0.047) 3.652 2.312 ( 2.263 2.866 0.047) 3.652 2.594 ( -10.253 0.664 -1.143) 10.338 2.594 ( 10.253 0.664 -1.143) 10.338 2.822 ( -8.121 -7.592 0.033) 11.117 2.822 ( 8.121 -7.592 0.033) 11.117 3.257 ( -2.579 -1.601 -7.581) 8.166 3.257 ( 2.579 -1.601 -7.581) 8.166 3.417 ( -1.244 2.748 -2.454) 3.889 3.417 ( 1.244 2.748 -2.454) 3.889 3.546 ( -1.206 9.515 -4.129) 10.442 3.546 ( 1.206 9.515 -4.129) 10.442 3.743 ( -6.323 -5.570 1.654) 8.587 3.743 ( 6.323 -5.570 1.654) 8.587 3.852 ( -0.686 -3.502 0.824) 3.663 3.852 ( 0.686 -3.502 0.824) 3.663 4.025 ( -1.533 5.293 -3.775) 6.679 4.025 ( 1.533 5.293 -3.775) 6.679 4.225 ( -1.206 7.489 -5.722) 9.502 4.225 ( 1.206 7.489 -5.722) 9.502 4.521 ( -1.431 -0.626 -4.967) 5.207 4.521 ( 1.431 -0.626 -4.967) 5.207 5.154 ( -10.152 -8.657 -3.705) 13.847 5.154 ( 10.152 -8.657 -3.705) 13.847 13.808 ( -0.108 -0.182 0.158) 0.264 13.808 ( 0.108 -0.182 0.158) 0.264 13.812 ( -0.148 0.608 0.128) 0.639 13.812 ( 0.148 0.608 0.128) 0.639 13.952 ( -0.818 -0.281 1.205) 1.483 13.952 ( 0.818 -0.281 1.205) 1.483 14.029 ( -0.116 -0.307 -0.203) 0.386 14.029 ( 0.116 -0.307 -0.203) 0.386 17.736 ( -0.902 -0.287 -0.186) 0.964 17.736 ( 0.902 -0.287 -0.186) 0.964 17.835 ( -0.870 -2.091 -0.559) 2.333 17.835 ( 0.870 -2.091 -0.559) 2.333 27.223 ( -0.708 -3.336 0.501) 3.447 27.223 ( 0.708 -3.336 0.501) 3.447 27.317 ( -0.550 -0.946 0.071) 1.096 27.317 ( 0.550 -0.946 0.071) 1.096 27.489 ( -4.246 5.901 3.266) 7.970 27.489 ( 4.246 5.901 3.266) 7.970 27.860 ( -5.326 2.608 -1.107) 6.032 27.860 ( 5.326 2.608 -1.107) 6.032 28.046 ( -4.053 11.385 -4.055) 12.747 28.046 ( 4.053 11.385 -4.055) 12.747 29.097 ( -19.276 -0.171 3.913) 19.670 29.097 ( 19.276 -0.171 3.913) 19.670 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.000 10.587 8.498) 13.575 0.875 ( 0.000 10.337 7.854) 12.982 1.346 ( 0.000 2.368 8.846) 9.157 1.354 ( 0.000 3.541 -2.204) 4.171 1.542 ( 0.000 7.599 3.613) 8.414 1.631 ( 0.000 5.469 3.302) 6.389 1.748 ( 0.000 2.129 -2.685) 3.427 1.884 ( 0.000 8.087 10.658) 13.379 2.051 ( 0.000 4.604 6.823) 8.231 2.055 ( 0.000 -1.237 0.518) 1.341 2.149 ( 0.000 16.152 12.304) 20.304 2.230 ( 0.000 -0.903 1.653) 1.884 2.398 ( 0.000 12.315 2.616) 12.590 2.503 ( 0.000 -5.440 -2.595) 6.027 2.505 ( 0.000 12.231 2.735) 12.533 2.675 ( 0.000 14.286 8.582) 16.666 2.814 ( 0.000 3.158 4.923) 5.849 3.039 ( 0.000 -2.341 0.387) 2.373 3.080 ( 0.000 -3.819 -6.092) 7.190 3.197 ( 0.000 -5.093 -3.255) 6.044 3.396 ( 0.000 -4.300 -3.355) 5.454 3.414 ( 0.000 -7.588 3.205) 8.237 3.536 ( 0.000 4.327 -5.234) 6.791 3.630 ( 0.000 0.799 3.173) 3.272 3.734 ( 0.000 2.512 -3.406) 4.232 3.785 ( 0.000 6.374 -5.061) 8.139 3.853 ( 0.000 0.070 -2.391) 2.392 3.942 ( 0.000 3.094 -2.109) 3.744 4.040 ( 0.000 4.908 -3.269) 5.897 4.114 ( 0.000 5.796 -5.899) 8.270 4.243 ( 0.000 1.029 -0.385) 1.099 4.357 ( 0.000 0.479 -2.970) 3.008 4.567 ( 0.000 1.286 -7.900) 8.004 4.601 ( 0.000 2.838 -7.759) 8.262 4.750 ( 0.000 -5.831 -3.398) 6.749 5.022 ( 0.000 -17.424 -2.242) 17.567 13.803 ( 0.000 0.349 0.432) 0.555 13.815 ( 0.000 0.544 0.161) 0.567 13.817 ( 0.000 0.590 0.425) 0.727 13.846 ( 0.000 1.403 -0.496) 1.489 13.926 ( 0.000 -0.605 1.192) 1.337 13.987 ( 0.000 -0.601 0.612) 0.858 13.992 ( 0.000 -0.663 0.499) 0.830 14.008 ( 0.000 -0.946 0.094) 0.950 17.711 ( 0.000 -0.069 0.079) 0.105 17.752 ( 0.000 -0.746 -0.206) 0.774 17.774 ( 0.000 -1.428 -0.430) 1.491 17.793 ( 0.000 -2.373 0.010) 2.373 27.145 ( 0.000 -2.752 0.362) 2.775 27.217 ( 0.000 -0.532 -0.311) 0.617 27.273 ( 0.000 -1.635 -0.985) 1.908 27.310 ( 0.000 -1.007 0.136) 1.016 27.509 ( 0.000 3.584 4.867) 6.044 27.610 ( 0.000 0.028 3.958) 3.958 27.930 ( 0.000 2.594 4.848) 5.498 28.000 ( 0.000 0.264 1.852) 1.871 28.331 ( 0.000 14.719 -4.789) 15.479 28.443 ( 0.000 18.542 -15.852) 24.395 28.586 ( 0.000 3.698 3.432) 5.045 29.451 ( 0.000 -6.697 -6.096) 9.056 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.25 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 6.995 6.862 10.602) 14.437 0.943 ( 7.195 11.113 4.772) 14.073 1.230 ( -7.202 4.081 9.071) 12.280 1.405 ( 1.833 3.508 -1.314) 4.170 1.485 ( -5.598 4.974 3.418) 8.232 1.620 ( -2.763 5.793 -2.521) 6.895 1.763 ( 3.307 2.356 4.546) 6.095 1.890 ( -0.439 7.810 9.677) 12.443 2.011 ( -0.623 6.195 6.083) 8.704 2.099 ( 0.698 -0.145 1.970) 2.095 2.223 ( 4.321 17.854 12.033) 21.960 2.249 ( 5.015 0.277 0.147) 5.025 2.366 ( -2.352 10.637 2.365) 11.148 2.483 ( -0.835 3.757 0.203) 3.854 2.536 ( -0.374 5.220 2.486) 5.794 2.651 ( 1.090 8.230 5.883) 10.175 2.781 ( -4.730 3.162 2.954) 6.411 2.873 ( -10.851 -3.393 0.540) 11.382 3.134 ( 4.345 -2.857 -5.354) 7.463 3.259 ( 0.346 -2.631 -5.216) 5.853 3.401 ( 2.311 -0.285 2.305) 3.276 3.467 ( 4.823 -9.269 0.363) 10.455 3.508 ( -1.419 2.798 -2.519) 4.024 3.650 ( 1.534 0.514 2.089) 2.642 3.732 ( -1.905 2.687 -0.732) 3.374 3.785 ( 0.063 0.914 -3.667) 3.780 3.827 ( -2.615 5.065 -7.207) 9.189 3.864 ( -4.263 1.783 -0.294) 4.630 4.095 ( 3.366 3.943 -2.701) 5.846 4.124 ( 1.076 6.237 -4.956) 8.038 4.284 ( 3.430 2.828 -3.369) 5.578 4.359 ( 0.082 1.256 -3.163) 3.404 4.541 ( -3.265 2.139 -7.693) 8.626 4.549 ( -2.364 0.218 -7.250) 7.629 4.834 ( 6.493 -7.177 -4.349) 10.611 5.007 ( -1.839 -15.701 -3.036) 16.098 13.805 ( 0.207 0.395 0.339) 0.560 13.813 ( -0.163 0.484 0.192) 0.546 13.820 ( 0.276 0.725 0.365) 0.857 13.840 ( -0.588 1.311 -0.247) 1.458 13.931 ( 0.482 -0.589 1.171) 1.397 13.964 ( -1.255 -0.500 0.941) 1.646 14.010 ( 0.758 -0.894 0.142) 1.181 14.012 ( 0.343 -0.950 0.098) 1.015 17.717 ( 0.540 -0.176 -0.048) 0.570 17.743 ( -0.726 -0.585 -0.243) 0.963 17.782 ( 0.579 -1.707 -0.370) 1.840 17.793 ( -0.032 -2.326 -0.069) 2.328 27.153 ( 0.916 -2.163 0.182) 2.356 27.208 ( -1.140 -0.662 -0.317) 1.356 27.278 ( 0.695 -1.567 -0.825) 1.902 27.307 ( -0.411 -1.093 -0.002) 1.168 27.523 ( 1.592 3.546 5.262) 6.542 27.606 ( -0.913 0.750 4.509) 4.661 27.897 ( -1.466 2.932 3.351) 4.688 27.989 ( -2.855 -0.731 3.668) 4.705 28.287 ( -1.288 16.353 -7.945) 18.227 28.376 ( -3.272 14.992 -7.335) 17.008 28.800 ( 15.700 4.100 -2.212) 16.377 29.347 ( -10.454 -4.430 -4.802) 12.327 ======================= Grid point 102 (39/90) ======================= q-point: (-0.50 0.22 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -6.080 6.261 8.479) 12.168 0.974 ( 6.080 6.261 8.479) 12.168 1.259 ( -10.827 6.822 6.593) 14.396 1.259 ( 10.827 6.822 6.593) 14.396 1.531 ( -5.580 3.260 -4.261) 7.741 1.531 ( 5.580 3.260 -4.261) 7.741 1.843 ( -4.121 4.240 8.396) 10.269 1.843 ( 4.121 4.240 8.396) 10.269 2.051 ( -3.901 6.172 4.184) 8.415 2.051 ( 3.901 6.172 4.184) 8.415 2.295 ( -3.115 14.107 7.245) 16.162 2.295 ( 3.115 14.107 7.245) 16.162 2.405 ( -6.778 5.950 0.919) 9.066 2.405 ( 6.778 5.950 0.919) 9.066 2.603 ( -8.687 -3.448 0.966) 9.396 2.603 ( 8.687 -3.448 0.966) 9.396 2.741 ( -5.294 4.892 3.202) 7.888 2.741 ( 5.294 4.892 3.202) 7.888 3.212 ( -3.878 -2.353 -5.454) 7.094 3.212 ( 3.878 -2.353 -5.454) 7.094 3.455 ( -2.784 0.413 1.016) 2.992 3.455 ( 2.784 0.413 1.016) 2.992 3.612 ( -7.290 -6.256 1.395) 9.707 3.612 ( 7.290 -6.256 1.395) 9.707 3.721 ( -3.323 5.290 -1.790) 6.498 3.721 ( 3.323 5.290 -1.790) 6.498 3.828 ( -1.195 2.100 -3.824) 4.523 3.828 ( 1.195 2.100 -3.824) 4.523 4.134 ( -0.666 5.072 -3.577) 6.242 4.134 ( 0.666 5.072 -3.577) 6.242 4.342 ( -2.295 3.756 -4.451) 6.260 4.342 ( 2.295 3.756 -4.451) 6.260 4.513 ( -0.874 0.008 -7.358) 7.410 4.513 ( 0.874 0.008 -7.358) 7.410 4.945 ( -4.834 -11.524 -4.221) 13.191 4.945 ( 4.834 -11.524 -4.221) 13.191 13.809 ( -0.228 0.446 0.205) 0.541 13.809 ( 0.228 0.446 0.205) 0.541 13.828 ( -0.555 1.021 0.179) 1.176 13.828 ( 0.555 1.021 0.179) 1.176 13.944 ( -0.908 -0.532 1.111) 1.530 13.944 ( 0.908 -0.532 1.111) 1.530 14.017 ( -0.036 -0.988 0.047) 0.989 14.017 ( 0.036 -0.988 0.047) 0.989 17.729 ( -0.729 -0.372 -0.208) 0.845 17.729 ( 0.729 -0.372 -0.208) 0.845 17.791 ( -0.283 -2.108 -0.242) 2.141 17.791 ( 0.283 -2.108 -0.242) 2.141 27.178 ( -1.711 -1.186 -0.178) 2.090 27.178 ( 1.711 -1.186 -0.178) 2.090 27.295 ( -0.867 -1.330 -0.381) 1.633 27.295 ( 0.867 -1.330 -0.381) 1.633 27.567 ( -2.792 2.744 5.494) 6.746 27.567 ( 2.792 2.744 5.494) 6.746 27.916 ( -3.386 1.300 2.802) 4.584 27.916 ( 3.386 1.300 2.802) 4.584 28.315 ( -3.158 15.002 -6.827) 16.782 28.315 ( 3.158 15.002 -6.827) 16.782 29.097 ( -15.420 0.043 -3.147) 15.738 29.097 ( 15.420 0.043 -3.147) 15.738 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 13.485 4.144) 14.107 1.132 ( 0.000 13.661 -1.956) 13.800 1.394 ( 0.000 2.306 6.708) 7.093 1.418 ( 0.000 2.953 0.429) 2.984 1.691 ( 0.000 4.370 0.121) 4.371 1.757 ( 0.000 -0.486 -3.164) 3.201 1.769 ( 0.000 7.099 0.050) 7.100 1.847 ( 0.000 -4.078 3.198) 5.182 2.164 ( 0.000 8.235 -0.895) 8.283 2.168 ( 0.000 -0.316 5.302) 5.312 2.191 ( 0.000 5.133 -1.746) 5.422 2.358 ( 0.000 -3.365 0.278) 3.377 2.425 ( 0.000 7.880 3.790) 8.744 2.675 ( 0.000 2.309 -1.142) 2.576 2.732 ( 0.000 16.262 3.333) 16.600 2.899 ( 0.000 5.437 7.006) 8.868 2.920 ( 0.000 -1.316 2.650) 2.959 2.969 ( 0.000 8.518 -3.514) 9.215 3.018 ( 0.000 -11.092 -1.927) 11.258 3.127 ( 0.000 4.391 2.323) 4.967 3.332 ( 0.000 -0.416 -1.833) 1.880 3.380 ( 0.000 2.045 -0.208) 2.056 3.579 ( 0.000 -3.103 7.754) 8.351 3.605 ( 0.000 3.087 -2.269) 3.831 3.783 ( 0.000 1.667 -3.859) 4.204 3.823 ( 0.000 -0.496 -0.152) 0.519 3.850 ( 0.000 -1.112 -4.741) 4.869 4.039 ( 0.000 3.639 -7.282) 8.140 4.131 ( 0.000 3.408 -2.015) 3.959 4.157 ( 0.000 -1.374 -5.119) 5.300 4.274 ( 0.000 3.156 -1.018) 3.316 4.348 ( 0.000 -0.218 -2.100) 2.111 4.593 ( 0.000 0.478 -9.137) 9.149 4.626 ( 0.000 -0.755 -6.812) 6.853 4.630 ( 0.000 -5.455 -3.269) 6.360 4.731 ( 0.000 -11.059 -3.278) 11.535 13.821 ( 0.000 1.455 0.525) 1.547 13.833 ( 0.000 0.953 0.681) 1.171 13.833 ( 0.000 1.330 0.294) 1.362 13.870 ( 0.000 0.930 -0.315) 0.981 13.914 ( 0.000 -0.513 1.227) 1.330 13.969 ( 0.000 -1.141 0.578) 1.279 13.974 ( 0.000 -1.407 0.266) 1.432 13.982 ( 0.000 -1.441 0.505) 1.527 17.712 ( 0.000 0.136 -0.041) 0.142 17.739 ( 0.000 -0.586 -0.325) 0.670 17.749 ( 0.000 -1.072 -0.281) 1.108 17.756 ( 0.000 -1.498 -0.245) 1.518 27.123 ( 0.000 0.339 -0.338) 0.479 27.210 ( 0.000 -0.386 -0.661) 0.765 27.242 ( 0.000 -1.222 -1.066) 1.621 27.287 ( 0.000 -1.291 -0.125) 1.297 27.577 ( 0.000 3.489 7.642) 8.401 27.631 ( 0.000 1.884 5.308) 5.633 27.923 ( 0.000 -2.753 10.288) 10.650 27.957 ( 0.000 -3.813 5.482) 6.678 28.606 ( 0.000 11.780 -6.376) 13.394 28.720 ( 0.000 9.913 -5.845) 11.508 28.723 ( 0.000 9.397 -16.159) 18.693 29.316 ( 0.000 -7.171 -7.664) 10.496 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.25 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 3.664 11.454 4.623) 12.883 1.197 ( 4.364 12.893 -1.368) 13.680 1.329 ( -3.220 5.461 6.218) 8.880 1.461 ( 3.827 1.841 -0.344) 4.261 1.580 ( -6.977 2.051 0.171) 7.274 1.690 ( -6.549 4.048 -1.802) 7.907 1.850 ( 4.833 6.305 5.270) 9.534 1.953 ( 6.582 -2.721 -0.114) 7.123 2.102 ( -3.463 2.868 3.833) 5.909 2.144 ( -1.182 4.486 -4.212) 6.265 2.227 ( 3.682 0.392 -1.550) 4.014 2.397 ( 3.046 -4.839 -0.650) 5.755 2.483 ( 4.427 9.487 4.098) 11.243 2.631 ( -8.014 0.692 -0.296) 8.049 2.691 ( -2.978 15.877 2.493) 16.345 2.792 ( -4.734 -2.076 -0.243) 5.175 2.855 ( -2.395 8.943 6.841) 11.512 2.962 ( -1.495 8.452 3.333) 9.208 3.113 ( 4.610 -0.920 -2.696) 5.419 3.213 ( 6.169 -0.236 1.366) 6.323 3.306 ( -1.054 -4.252 -1.854) 4.757 3.421 ( 2.737 2.348 0.475) 3.637 3.546 ( -2.055 -0.510 4.691) 5.147 3.608 ( -0.005 0.124 -0.415) 0.433 3.749 ( -3.293 0.024 0.420) 3.320 3.809 ( -1.452 0.071 -0.737) 1.630 3.858 ( 0.377 -1.083 -4.401) 4.548 3.946 ( -5.181 1.608 -8.527) 10.107 4.167 ( 4.270 3.643 -2.144) 6.008 4.236 ( 1.717 5.771 -3.670) 7.052 4.315 ( 4.999 0.007 -3.876) 6.325 4.360 ( 1.438 0.090 -2.724) 3.081 4.543 ( -3.974 -1.315 -7.413) 8.513 4.572 ( -3.037 0.826 -7.222) 7.878 4.691 ( 2.837 -7.157 -4.193) 8.767 4.736 ( 0.255 -10.761 -3.817) 11.421 13.823 ( 0.176 1.383 0.469) 1.471 13.829 ( -0.169 1.161 0.477) 1.267 13.839 ( 0.473 1.205 0.407) 1.358 13.865 ( -0.595 1.099 -0.188) 1.264 13.918 ( 0.450 -0.615 1.199) 1.420 13.951 ( -1.153 -0.813 0.814) 1.629 13.983 ( 0.443 -1.880 0.282) 1.952 13.988 ( 0.356 -1.394 0.347) 1.480 17.715 ( 0.343 0.038 -0.109) 0.362 17.733 ( -0.479 -0.420 -0.297) 0.702 17.753 ( 0.246 -1.240 -0.281) 1.295 17.756 ( 0.018 -1.493 -0.249) 1.513 27.138 ( 1.500 0.467 -0.477) 1.642 27.205 ( -1.007 0.296 -0.592) 1.204 27.245 ( 0.682 -1.744 -1.095) 2.169 27.282 ( -0.613 -1.408 -0.290) 1.562 27.591 ( 1.450 3.554 7.639) 8.549 27.636 ( 0.236 2.318 5.687) 6.146 27.895 ( -1.796 -2.605 8.507) 9.076 27.938 ( -2.289 -4.071 6.421) 7.940 28.580 ( -0.460 12.953 -8.951) 15.751 28.660 ( -2.717 13.690 -8.107) 16.141 28.881 ( 10.579 3.088 -9.975) 14.865 29.250 ( -6.741 -5.607 -7.639) 11.629 ======================= Grid point 107 (42/90) ======================= q-point: (-0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -6.497 9.160 4.301) 12.026 1.137 ( 6.497 9.160 4.301) 12.026 1.431 ( -9.166 8.472 1.611) 12.586 1.431 ( 9.166 8.472 1.611) 12.586 1.557 ( -6.391 1.171 -1.712) 6.719 1.557 ( 6.391 1.171 -1.712) 6.719 1.939 ( -4.597 4.516 6.510) 9.160 1.939 ( 4.597 4.516 6.510) 9.160 2.123 ( -1.851 1.885 -5.658) 6.244 2.123 ( 1.851 1.885 -5.658) 6.244 2.360 ( -9.646 -6.534 -0.726) 11.673 2.360 ( 9.646 -6.534 -0.726) 11.673 2.518 ( -2.379 5.768 0.298) 6.246 2.518 ( 2.379 5.768 0.298) 6.247 2.695 ( -4.578 12.081 4.476) 13.673 2.695 ( 4.578 12.081 4.476) 13.673 2.898 ( -4.520 5.771 4.040) 8.370 2.898 ( 4.520 5.771 4.040) 8.370 3.199 ( -4.408 2.029 -2.561) 5.487 3.199 ( 4.408 2.029 -2.561) 5.487 3.387 ( -5.892 -4.981 3.133) 8.327 3.387 ( 5.892 -4.981 3.133) 8.327 3.576 ( -3.786 1.970 -0.528) 4.301 3.576 ( 3.786 1.970 -0.528) 4.301 3.738 ( -3.066 -1.613 2.253) 4.133 3.738 ( 3.066 -1.613 2.253) 4.133 3.888 ( -2.102 0.956 -7.315) 7.670 3.888 ( 2.102 0.956 -7.315) 7.670 4.231 ( -1.880 5.223 -2.383) 6.040 4.231 ( 1.880 5.223 -2.383) 6.040 4.383 ( -1.273 1.031 -4.260) 4.564 4.383 ( 1.273 1.031 -4.260) 4.564 4.511 ( -2.122 -0.609 -7.751) 8.059 4.511 ( 2.122 -0.609 -7.751) 8.059 4.729 ( -1.175 -9.802 -4.003) 10.653 4.729 ( 1.175 -9.802 -4.003) 10.653 13.826 ( -0.171 1.245 0.439) 1.331 13.826 ( 0.171 1.245 0.439) 1.331 13.851 ( -0.761 1.257 0.138) 1.475 13.851 ( 0.761 1.257 0.138) 1.475 13.931 ( -0.916 -0.709 1.073) 1.579 13.931 ( 0.916 -0.709 1.073) 1.579 13.989 ( -0.212 -1.729 0.276) 1.764 13.989 ( 0.212 -1.729 0.276) 1.764 17.723 ( -0.493 -0.175 -0.227) 0.570 17.723 ( 0.493 -0.175 -0.227) 0.570 17.756 ( -0.073 -1.428 -0.263) 1.454 17.756 ( 0.073 -1.428 -0.263) 1.454 27.173 ( -2.062 0.564 -0.661) 2.238 27.173 ( 2.062 0.564 -0.661) 2.238 27.265 ( -1.147 -1.674 -0.701) 2.147 27.265 ( 1.147 -1.674 -0.701) 2.147 27.624 ( -1.608 3.304 7.010) 7.915 27.624 ( 1.608 3.304 7.010) 7.915 27.892 ( -1.702 -3.409 6.837) 7.827 27.892 ( 1.702 -3.409 6.837) 7.827 28.606 ( -2.704 13.893 -8.403) 16.460 28.606 ( 2.704 13.893 -8.403) 16.460 29.084 ( -10.492 -1.836 -8.202) 13.444 29.084 ( 10.492 -1.836 -8.202) 13.444 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.000 11.412 0.949) 11.452 1.339 ( 0.000 4.996 -2.312) 5.505 1.430 ( 0.000 1.488 4.726) 4.954 1.475 ( 0.000 1.372 0.412) 1.433 1.605 ( 0.000 -4.722 0.146) 4.724 1.679 ( 0.000 -6.128 -3.032) 6.837 1.921 ( 0.000 6.013 1.477) 6.191 1.933 ( 0.000 6.887 -1.929) 7.152 2.099 ( 0.000 -2.230 -1.011) 2.448 2.179 ( 0.000 -7.314 -2.626) 7.771 2.381 ( 0.000 8.235 -2.362) 8.567 2.382 ( 0.000 9.811 1.649) 9.949 2.572 ( 0.000 3.020 1.843) 3.538 2.615 ( 0.000 -6.167 -1.484) 6.343 2.785 ( 0.000 -6.807 0.975) 6.877 2.810 ( 0.000 -5.627 -0.784) 5.681 2.954 ( 0.000 6.164 -0.405) 6.177 3.060 ( 0.000 -3.657 -0.195) 3.662 3.099 ( 0.000 11.649 7.525) 13.868 3.251 ( 0.000 6.174 -2.375) 6.615 3.302 ( 0.000 -2.814 4.256) 5.102 3.395 ( 0.000 -2.292 -5.146) 5.633 3.657 ( 0.000 9.767 1.551) 9.890 3.677 ( 0.000 4.207 0.953) 4.313 3.788 ( 0.000 -0.563 -3.315) 3.362 3.806 ( 0.000 -0.772 0.672) 1.024 3.818 ( 0.000 -1.118 -1.654) 1.996 3.947 ( 0.000 -11.085 -8.124) 13.743 4.154 ( 0.000 0.679 -0.430) 0.804 4.158 ( 0.000 0.114 -0.802) 0.810 4.377 ( 0.000 6.027 -2.859) 6.670 4.382 ( 0.000 3.599 -4.049) 5.417 4.505 ( 0.000 -5.140 -4.713) 6.973 4.535 ( 0.000 -6.624 -2.331) 7.022 4.618 ( 0.000 0.508 -6.698) 6.717 4.631 ( 0.000 -1.178 -6.929) 7.028 13.852 ( 0.000 1.296 0.597) 1.427 13.857 ( 0.000 1.464 0.789) 1.663 13.862 ( 0.000 1.198 0.451) 1.280 13.873 ( 0.000 -0.710 0.423) 0.826 13.912 ( 0.000 0.235 1.063) 1.089 13.935 ( 0.000 -2.043 0.622) 2.135 13.950 ( 0.000 -0.377 0.202) 0.427 13.959 ( 0.000 -0.972 0.233) 1.000 17.717 ( 0.000 0.460 -0.182) 0.495 17.729 ( 0.000 -0.526 -0.287) 0.599 17.734 ( 0.000 -0.566 -0.350) 0.666 17.734 ( 0.000 -0.412 -0.290) 0.504 27.147 ( 0.000 1.807 -0.916) 2.026 27.186 ( 0.000 -1.913 -1.151) 2.233 27.239 ( 0.000 0.780 -0.594) 0.981 27.261 ( 0.000 -1.290 -0.382) 1.345 27.646 ( 0.000 3.107 8.946) 9.471 27.669 ( 0.000 1.181 7.098) 7.195 27.861 ( 0.000 -2.202 10.414) 10.644 27.877 ( 0.000 -3.441 7.544) 8.291 28.773 ( 0.000 5.498 -10.551) 11.897 28.821 ( 0.000 0.932 -13.850) 13.881 28.948 ( 0.000 11.723 -7.878) 14.125 29.156 ( 0.000 -9.224 -8.188) 12.334 ======================= Grid point 111 (44/90) ======================= q-point: ( 0.25 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 0.959 10.058 1.456) 10.208 1.376 ( 0.309 3.749 0.768) 3.840 1.395 ( -1.173 0.012 2.950) 3.174 1.473 ( -1.190 -3.817 1.046) 4.133 1.601 ( 3.591 7.964 -0.975) 8.790 1.790 ( 6.354 -5.661 -3.632) 9.253 1.870 ( -2.963 4.696 -1.694) 5.806 1.953 ( 0.626 1.513 0.959) 1.897 2.098 ( 0.861 0.168 -2.116) 2.291 2.179 ( 0.700 -5.933 -2.234) 6.378 2.290 ( -6.932 8.091 0.230) 10.656 2.381 ( -3.232 0.904 -1.310) 3.603 2.582 ( 1.032 1.808 0.013) 2.082 2.679 ( 0.749 -3.188 -0.118) 3.277 2.698 ( 2.942 3.786 0.766) 4.855 2.857 ( -2.686 -6.091 0.167) 6.658 2.966 ( 2.403 5.098 0.889) 5.706 3.045 ( -1.340 6.052 3.111) 6.936 3.112 ( 1.066 -0.852 2.250) 2.632 3.235 ( -3.200 -4.896 0.317) 5.858 3.315 ( 4.468 9.124 0.104) 10.160 3.460 ( 5.761 -3.483 -2.349) 7.130 3.598 ( -6.517 9.696 1.165) 11.740 3.685 ( -0.052 5.800 -0.247) 5.806 3.743 ( -2.687 -1.819 1.187) 3.455 3.777 ( -5.239 -2.292 0.516) 5.742 3.808 ( 0.880 -2.870 -2.461) 3.881 3.877 ( -2.863 -6.977 -6.521) 9.970 4.234 ( 6.755 2.604 -2.271) 7.587 4.277 ( 8.328 -1.932 -3.366) 9.187 4.370 ( -0.672 5.630 -3.022) 6.425 4.395 ( 1.082 3.577 -4.197) 5.619 4.490 ( -1.465 -3.351 -5.112) 6.286 4.542 ( 0.761 -6.760 -2.514) 7.252 4.584 ( -3.474 0.144 -6.184) 7.094 4.609 ( -2.141 -2.945 -5.819) 6.864 13.852 ( 0.070 1.342 0.611) 1.476 13.855 ( -0.089 1.384 0.766) 1.584 13.865 ( 0.222 0.912 0.389) 1.016 13.873 ( -0.055 -0.489 0.370) 0.616 13.914 ( 0.288 0.380 1.036) 1.140 13.938 ( -0.224 -0.696 0.527) 0.902 13.943 ( -0.059 -1.294 0.458) 1.374 13.959 ( -0.186 -1.449 0.245) 1.481 17.719 ( 0.188 0.403 -0.211) 0.492 17.728 ( -0.155 -0.088 -0.291) 0.341 17.733 ( 0.010 -0.773 -0.313) 0.834 17.735 ( -0.003 -0.607 -0.305) 0.679 27.162 ( 1.496 1.754 -0.958) 2.496 27.199 ( 1.232 -1.657 -1.073) 2.327 27.228 ( -1.130 0.775 -0.746) 1.560 27.253 ( -0.891 -1.456 -0.541) 1.790 27.665 ( 1.896 3.531 8.872) 9.735 27.687 ( 1.688 1.956 7.057) 7.515 27.830 ( -2.742 -2.648 9.730) 10.450 27.850 ( -2.695 -4.047 7.651) 9.066 28.788 ( 2.165 7.900 -10.738) 13.506 28.882 ( 4.530 0.448 -11.421) 12.295 28.924 ( -1.672 8.926 -8.632) 12.529 29.115 ( -4.283 -8.319 -8.541) 12.669 ======================= Grid point 112 (45/90) ======================= q-point: (-0.50 0.44 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -3.967 7.712 2.840) 9.126 1.307 ( 3.967 7.712 2.840) 9.126 1.435 ( -2.447 -4.938 1.608) 5.741 1.435 ( 2.447 -4.938 1.608) 5.741 1.724 ( -7.675 12.063 -2.899) 14.588 1.724 ( 7.675 12.063 -2.899) 14.588 1.931 ( -3.477 -7.082 -1.041) 7.958 1.931 ( 3.477 -7.082 -1.041) 7.958 2.166 ( -5.671 3.878 -2.721) 7.389 2.166 ( 5.671 3.878 -2.721) 7.389 2.249 ( -7.131 -4.195 -0.405) 8.283 2.249 ( 7.131 -4.195 -0.405) 8.283 2.645 ( -3.961 7.329 0.156) 8.332 2.645 ( 3.961 7.329 0.156) 8.332 2.785 ( -4.188 -4.867 0.525) 6.442 2.785 ( 4.188 -4.867 0.525) 6.442 3.006 ( -2.488 8.377 2.682) 9.141 3.006 ( 2.488 8.377 2.682) 9.141 3.161 ( -3.977 -6.625 0.214) 7.730 3.161 ( 3.977 -6.625 0.214) 7.730 3.447 ( -8.470 9.072 0.581) 12.425 3.447 ( 8.470 9.072 0.581) 12.425 3.592 ( -7.880 -3.624 -1.059) 8.738 3.592 ( 7.880 -3.624 -1.059) 8.738 3.728 ( -1.442 3.448 1.560) 4.050 3.728 ( 1.442 3.448 1.560) 4.050 3.838 ( -1.986 -5.392 -4.002) 7.002 3.838 ( 1.986 -5.392 -4.002) 7.002 4.339 ( -3.322 4.965 -3.129) 6.744 4.339 ( 3.322 4.965 -3.129) 6.744 4.392 ( -3.307 -0.459 -5.052) 6.055 4.392 ( 3.307 -0.459 -5.052) 6.055 4.499 ( -4.227 0.379 -5.580) 7.010 4.499 ( 4.227 0.379 -5.580) 7.010 4.568 ( -1.832 -6.370 -3.315) 7.411 4.568 ( 1.832 -6.370 -3.315) 7.411 13.854 ( -0.085 1.375 0.680) 1.537 13.854 ( 0.085 1.375 0.680) 1.537 13.870 ( -0.259 0.162 0.337) 0.455 13.870 ( 0.259 0.162 0.337) 0.455 13.924 ( -0.781 0.446 0.801) 1.204 13.924 ( 0.781 0.446 0.801) 1.204 13.952 ( -0.543 -1.939 0.395) 2.052 13.952 ( 0.543 -1.939 0.395) 2.052 17.724 ( -0.255 0.249 -0.266) 0.444 17.724 ( 0.255 0.249 -0.266) 0.444 17.734 ( -0.072 -0.792 -0.299) 0.850 17.734 ( 0.072 -0.792 -0.299) 0.850 27.195 ( -1.827 1.546 -0.901) 2.557 27.195 ( 1.827 1.546 -0.901) 2.557 27.230 ( -1.461 -1.823 -0.895) 2.502 27.230 ( 1.461 -1.823 -0.895) 2.502 27.702 ( -1.158 4.648 8.050) 9.367 27.702 ( 1.158 4.648 8.050) 9.367 27.802 ( -1.144 -5.168 8.292) 9.838 27.802 ( 1.144 -5.168 8.292) 9.838 28.849 ( -3.877 10.361 -9.405) 14.520 28.849 ( 3.877 10.361 -9.405) 14.520 29.010 ( -6.483 -5.880 -9.726) 13.084 29.010 ( 6.483 -5.880 -9.726) 13.084 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 0.000 18.718) 18.718 1.124 ( 0.000 0.000 -2.325) 2.325 1.338 ( 0.000 0.000 12.698) 12.698 1.342 ( 0.000 0.000 -3.149) 3.149 1.622 ( 0.000 0.000 15.127) 15.127 1.666 ( 0.000 0.000 7.689) 7.689 1.734 ( 0.000 0.000 3.276) 3.276 1.886 ( 0.000 0.000 26.157) 26.157 1.984 ( 0.000 0.000 10.384) 10.384 2.109 ( 0.000 0.000 6.282) 6.282 2.229 ( 0.000 0.000 7.970) 7.970 2.244 ( 0.000 0.000 -0.674) 0.674 2.332 ( 0.000 0.000 13.380) 13.380 2.398 ( 0.000 0.000 3.793) 3.793 2.616 ( 0.000 0.000 -3.037) 3.037 2.635 ( 0.000 0.000 20.287) 20.287 2.877 ( 0.000 0.000 3.638) 3.638 3.060 ( 0.000 0.000 -10.181) 10.181 3.151 ( 0.000 0.000 -7.109) 7.109 3.158 ( 0.000 0.000 -3.894) 3.894 3.161 ( 0.000 0.000 -9.811) 9.811 3.237 ( 0.000 0.000 -7.770) 7.770 3.404 ( 0.000 0.000 7.035) 7.035 3.548 ( 0.000 0.000 -1.767) 1.767 3.645 ( 0.000 0.000 0.678) 0.678 3.711 ( 0.000 0.000 -2.507) 2.507 3.827 ( 0.000 0.000 0.664) 0.664 3.865 ( 0.000 0.000 -0.233) 0.233 3.968 ( 0.000 0.000 -0.881) 0.881 4.002 ( 0.000 0.000 -1.960) 1.960 4.081 ( 0.000 0.000 -1.598) 1.598 4.186 ( 0.000 0.000 1.163) 1.163 4.425 ( 0.000 0.000 -7.150) 7.150 4.466 ( 0.000 0.000 -5.829) 5.829 4.810 ( 0.000 0.000 -6.047) 6.047 5.380 ( 0.000 0.000 -11.001) 11.001 13.806 ( 0.000 0.000 0.126) 0.126 13.807 ( 0.000 0.000 0.098) 0.098 13.814 ( 0.000 0.000 0.141) 0.141 13.815 ( 0.000 0.000 0.152) 0.152 13.962 ( 0.000 0.000 0.786) 0.786 14.006 ( 0.000 0.000 0.459) 0.459 14.012 ( 0.000 0.000 -0.205) 0.205 14.017 ( 0.000 0.000 0.356) 0.356 17.723 ( 0.000 0.000 0.742) 0.742 17.769 ( 0.000 0.000 -0.368) 0.368 17.792 ( 0.000 0.000 -1.166) 1.166 17.854 ( 0.000 0.000 -1.905) 1.905 27.240 ( 0.000 0.000 0.148) 0.148 27.301 ( 0.000 0.000 -1.556) 1.556 27.328 ( 0.000 0.000 -1.022) 1.022 27.343 ( 0.000 0.000 2.904) 2.904 27.422 ( 0.000 0.000 -2.975) 2.975 27.526 ( 0.000 0.000 2.807) 2.807 27.706 ( 0.000 0.000 -3.226) 3.226 27.746 ( 0.000 0.000 5.073) 5.073 27.885 ( 0.000 0.000 -3.282) 3.282 28.066 ( 0.000 0.000 0.268) 0.268 28.845 ( 0.000 0.000 13.306) 13.306 29.542 ( 0.000 0.000 -4.569) 4.569 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.25 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 11.731 0.000 16.388) 20.154 1.155 ( 3.081 0.000 -2.146) 3.754 1.297 ( -3.137 0.000 0.028) 3.137 1.378 ( 2.762 0.000 9.310) 9.711 1.538 ( -10.774 0.000 10.504) 15.047 1.546 ( -5.532 0.000 10.656) 12.007 1.816 ( 6.214 0.000 7.780) 9.958 1.927 ( 4.355 0.000 24.390) 24.776 2.045 ( -5.332 0.000 8.220) 9.798 2.066 ( 4.424 0.000 8.738) 9.794 2.229 ( -0.575 0.000 4.147) 4.187 2.277 ( 3.605 0.000 5.802) 6.830 2.355 ( -2.990 0.000 11.421) 11.806 2.383 ( -1.592 0.000 3.809) 4.128 2.465 ( -2.259 0.000 12.239) 12.446 2.738 ( 0.829 0.000 0.229) 0.860 2.797 ( -3.194 0.000 4.505) 5.522 3.070 ( 1.062 0.000 -9.899) 9.956 3.093 ( -7.656 0.000 -0.346) 7.664 3.126 ( -1.603 0.000 -8.642) 8.790 3.184 ( 1.472 0.000 -8.372) 8.500 3.230 ( -0.725 0.000 -7.831) 7.865 3.431 ( 2.677 0.000 3.468) 4.381 3.524 ( -2.409 0.000 1.215) 2.698 3.686 ( 7.920 0.000 1.946) 8.156 3.831 ( 0.462 0.000 0.560) 0.726 3.840 ( 8.350 0.000 -3.444) 9.033 3.859 ( -0.643 0.000 -0.002) 0.643 3.974 ( 0.562 0.000 -1.130) 1.262 3.998 ( -0.413 0.000 -1.826) 1.872 4.027 ( -5.350 0.000 -1.205) 5.484 4.133 ( -5.545 0.000 -0.482) 5.566 4.413 ( 0.087 0.000 -6.485) 6.486 4.460 ( -0.996 0.000 -5.498) 5.587 4.920 ( 10.048 0.000 -6.942) 12.213 5.308 ( -7.364 0.000 -10.137) 12.529 13.806 ( 0.023 0.000 0.121) 0.123 13.807 ( -0.023 0.000 0.101) 0.104 13.814 ( 0.010 0.000 0.143) 0.144 13.814 ( -0.010 0.000 0.151) 0.152 13.965 ( 0.335 0.000 0.782) 0.851 13.990 ( -0.951 0.000 0.609) 1.129 14.020 ( 0.440 0.000 -0.160) 0.468 14.024 ( 0.473 0.000 0.040) 0.475 17.729 ( 0.546 0.000 0.628) 0.832 17.757 ( -0.840 0.000 -0.047) 0.841 17.807 ( 1.201 0.000 -1.477) 1.904 17.848 ( -0.690 0.000 -1.904) 2.025 27.252 ( 1.207 0.000 -0.045) 1.207 27.297 ( -0.499 0.000 -1.447) 1.531 27.331 ( 0.426 0.000 -0.922) 1.015 27.361 ( 1.957 0.000 2.796) 3.413 27.391 ( -2.646 0.000 -1.537) 3.060 27.483 ( -3.684 0.000 2.461) 4.430 27.749 ( 3.623 0.000 -2.875) 4.625 27.796 ( 4.775 0.000 3.618) 5.991 27.867 ( -1.896 0.000 -3.180) 3.702 28.011 ( -5.162 0.000 1.164) 5.292 28.960 ( 11.122 0.000 10.223) 15.107 29.443 ( -9.961 0.000 -1.727) 10.110 ======================= Grid point 137 (48/90) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.226 ( -4.183 0.000 -1.511) 4.447 1.226 ( 4.183 0.000 -1.511) 4.447 1.310 ( -13.344 0.000 13.398) 18.909 1.310 ( 13.344 0.000 13.398) 18.909 1.448 ( -4.672 0.000 9.814) 10.869 1.448 ( 4.672 0.000 9.814) 10.869 1.935 ( -6.292 0.000 9.080) 11.047 1.935 ( 6.292 0.000 9.080) 11.047 2.040 ( -6.491 0.000 15.870) 17.146 2.040 ( 6.491 0.000 15.870) 17.146 2.248 ( -3.288 0.000 11.746) 12.197 2.248 ( 3.288 0.000 11.746) 12.197 2.340 ( -2.939 0.000 4.242) 5.161 2.340 ( 2.939 0.000 4.242) 5.161 2.584 ( -9.906 0.000 3.512) 10.510 2.584 ( 9.906 0.000 3.512) 10.510 2.916 ( -9.664 0.000 0.810) 9.698 2.916 ( 9.664 0.000 0.810) 9.698 3.096 ( -1.595 0.000 -9.291) 9.427 3.096 ( 1.595 0.000 -9.291) 9.427 3.211 ( -1.281 0.000 -8.019) 8.120 3.211 ( 1.281 0.000 -8.019) 8.120 3.482 ( -2.413 0.000 3.172) 3.985 3.482 ( 2.413 0.000 3.172) 3.985 3.844 ( -0.837 0.000 0.329) 0.900 3.844 ( 0.837 0.000 0.329) 0.900 3.863 ( -9.018 0.000 0.588) 9.038 3.863 ( 9.018 0.000 0.588) 9.038 3.987 ( -0.714 0.000 -1.523) 1.683 3.987 ( 0.714 0.000 -1.523) 1.683 4.008 ( -6.876 0.000 -2.912) 7.468 4.008 ( 6.876 0.000 -2.912) 7.468 4.433 ( -1.586 0.000 -5.699) 5.915 4.433 ( 1.586 0.000 -5.699) 5.915 5.128 ( -11.227 0.000 -8.482) 14.071 5.128 ( 11.227 0.000 -8.482) 14.071 13.807 ( -0.033 0.000 0.110) 0.115 13.807 ( 0.033 0.000 0.110) 0.115 13.814 ( -0.014 0.000 0.148) 0.149 13.814 ( 0.014 0.000 0.148) 0.149 13.974 ( -0.677 0.000 0.748) 1.008 13.974 ( 0.677 0.000 0.748) 1.008 14.027 ( -0.182 0.000 -0.168) 0.248 14.027 ( 0.182 0.000 -0.168) 0.248 17.742 ( -0.786 0.000 0.353) 0.862 17.742 ( 0.786 0.000 0.353) 0.862 17.830 ( -1.152 0.000 -1.801) 2.138 17.830 ( 1.152 0.000 -1.801) 2.138 27.279 ( -1.405 0.000 -0.798) 1.616 27.279 ( 1.405 0.000 -0.798) 1.616 27.348 ( -1.569 0.000 -0.677) 1.709 27.348 ( 1.569 0.000 -0.677) 1.709 27.413 ( -3.450 0.000 2.548) 4.289 27.413 ( 3.450 0.000 2.548) 4.289 27.817 ( -3.364 0.000 -2.947) 4.472 27.817 ( 3.364 0.000 -2.947) 4.472 27.901 ( -6.095 0.000 2.183) 6.474 27.901 ( 6.095 0.000 2.183) 6.474 29.208 ( -14.168 0.000 4.264) 14.795 29.208 ( 14.168 0.000 4.264) 14.795 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( 0.000 -0.361 16.820) 16.824 1.151 ( 0.000 0.465 6.178) 6.195 1.258 ( 0.000 -3.198 8.060) 8.671 1.394 ( 0.000 4.404 -1.241) 4.576 1.585 ( 0.000 -1.083 10.527) 10.583 1.669 ( 0.000 0.794 5.201) 5.261 1.734 ( 0.000 -0.304 4.451) 4.461 2.012 ( 0.000 2.991 9.496) 9.956 2.073 ( 0.000 8.077 11.399) 13.970 2.092 ( 0.000 -0.996 4.875) 4.976 2.212 ( 0.000 3.003 11.014) 11.416 2.289 ( 0.000 4.831 4.503) 6.604 2.371 ( 0.000 0.152 9.156) 9.157 2.422 ( 0.000 5.359 6.090) 8.112 2.560 ( 0.000 -4.009 -2.105) 4.528 2.710 ( 0.000 7.015 17.404) 18.765 2.882 ( 0.000 1.069 5.607) 5.708 3.014 ( 0.000 -3.067 -8.094) 8.655 3.085 ( 0.000 -2.252 -1.797) 2.881 3.160 ( 0.000 -1.128 -9.102) 9.172 3.282 ( 0.000 5.486 -8.224) 9.885 3.352 ( 0.000 8.396 -7.248) 11.091 3.431 ( 0.000 2.477 1.246) 2.773 3.529 ( 0.000 -0.428 -2.123) 2.165 3.639 ( 0.000 -4.234 1.416) 4.465 3.667 ( 0.000 2.198 0.303) 2.219 3.869 ( 0.000 2.712 0.353) 2.735 3.895 ( 0.000 1.879 -1.155) 2.206 3.946 ( 0.000 -1.414 -0.599) 1.535 3.990 ( 0.000 1.199 -0.394) 1.262 4.184 ( 0.000 6.960 -4.410) 8.239 4.204 ( 0.000 1.508 0.473) 1.581 4.419 ( 0.000 -0.447 -7.137) 7.151 4.452 ( 0.000 -1.115 -6.429) 6.525 4.767 ( 0.000 -4.138 -5.973) 7.266 5.242 ( 0.000 -12.791 -8.926) 15.597 13.810 ( 0.000 -0.004 0.251) 0.251 13.814 ( 0.000 0.279 0.262) 0.383 13.814 ( 0.000 0.068 0.216) 0.227 13.818 ( 0.000 1.083 0.093) 1.087 13.957 ( 0.000 -0.412 0.840) 0.935 14.004 ( 0.000 -0.200 0.460) 0.502 14.008 ( 0.000 -0.363 -0.085) 0.373 14.018 ( 0.000 0.016 0.265) 0.265 17.721 ( 0.000 -0.193 0.673) 0.700 17.762 ( 0.000 -0.636 -0.372) 0.737 17.783 ( 0.000 -0.848 -1.046) 1.347 17.831 ( 0.000 -2.095 -1.352) 2.493 27.229 ( 0.000 -0.953 -0.018) 0.953 27.258 ( 0.000 -7.051 0.789) 7.095 27.281 ( 0.000 -1.669 -1.589) 2.305 27.320 ( 0.000 -0.662 -0.936) 1.147 27.457 ( 0.000 7.616 1.908) 7.852 27.712 ( 0.000 -1.147 4.922) 5.053 27.757 ( 0.000 15.379 -2.602) 15.597 27.794 ( 0.000 7.467 -3.057) 8.069 28.001 ( 0.000 9.718 -3.310) 10.267 28.093 ( 0.000 2.896 -0.607) 2.959 28.802 ( 0.000 -4.125 12.126) 12.808 29.479 ( 0.000 -6.030 -4.738) 7.669 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.25 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( 10.243 -0.961 14.213) 17.546 1.175 ( 2.189 -0.283 7.191) 7.522 1.287 ( 3.153 -2.167 6.322) 7.389 1.373 ( -1.804 4.429 -0.009) 4.782 1.484 ( -6.556 -2.091 7.213) 9.969 1.597 ( -8.727 2.443 9.352) 13.023 1.806 ( 6.498 0.418 6.096) 8.920 2.018 ( -3.517 0.163 8.500) 9.200 2.070 ( 2.855 0.295 6.656) 7.249 2.138 ( 3.707 11.395 11.466) 16.584 2.236 ( -3.161 0.735 5.682) 6.544 2.272 ( 5.012 1.997 7.853) 9.528 2.353 ( -2.817 -0.497 5.998) 6.645 2.433 ( -0.191 6.232 8.068) 10.197 2.544 ( -0.837 4.401 6.091) 7.561 2.715 ( 2.856 0.537 8.421) 8.908 2.800 ( -7.226 1.061 3.295) 8.012 3.000 ( -7.181 -5.790 -0.402) 9.233 3.053 ( 1.925 -1.335 -6.685) 7.084 3.137 ( -2.031 0.302 -8.829) 9.065 3.293 ( 0.981 6.579 -8.021) 10.420 3.346 ( -0.798 8.680 -7.062) 11.218 3.461 ( 3.051 3.157 0.072) 4.391 3.544 ( -0.464 2.624 1.084) 2.876 3.651 ( 4.929 -3.350 1.263) 6.092 3.765 ( 6.566 -3.655 -0.568) 7.536 3.854 ( -2.760 -0.846 -0.225) 2.896 3.876 ( -0.515 -0.731 0.390) 0.976 3.952 ( 0.242 2.932 -0.846) 3.061 3.995 ( 0.461 2.320 -0.684) 2.462 4.160 ( -2.008 6.239 -3.626) 7.490 4.174 ( -3.331 4.546 -2.232) 6.062 4.401 ( -0.317 -1.064 -6.605) 6.697 4.445 ( -1.127 -1.421 -5.800) 6.077 4.864 ( 8.763 -5.307 -6.765) 12.276 5.186 ( -5.765 -11.335 -8.597) 15.350 13.810 ( 0.059 0.018 0.254) 0.261 13.813 ( -0.046 0.054 0.253) 0.263 13.814 ( 0.024 0.328 0.221) 0.396 13.817 ( -0.102 0.962 0.127) 0.975 13.961 ( 0.369 -0.385 0.819) 0.978 13.987 ( -0.973 -0.278 0.590) 1.171 14.020 ( 0.484 -0.169 -0.187) 0.545 14.023 ( 0.410 -0.140 0.145) 0.457 17.726 ( 0.495 -0.243 0.566) 0.790 17.752 ( -0.747 -0.501 -0.074) 0.902 17.795 ( 0.961 -1.106 -1.291) 1.953 17.826 ( -0.489 -1.934 -1.423) 2.450 27.226 ( -0.164 -2.127 0.197) 2.142 27.247 ( -0.999 -4.893 0.115) 4.996 27.292 ( 0.944 -2.302 -0.971) 2.671 27.317 ( -0.304 -0.889 -0.933) 1.324 27.480 ( 2.422 7.974 2.158) 8.609 27.642 ( -5.529 7.822 1.899) 9.765 27.769 ( 3.022 3.628 0.528) 4.751 27.871 ( 3.764 9.369 -3.728) 10.763 27.965 ( -2.785 6.451 -0.892) 7.083 28.057 ( -3.166 5.538 -1.111) 6.475 28.919 ( 11.192 -3.847 8.798) 14.747 29.387 ( -9.316 -5.384 -2.328) 11.009 ======================= Grid point 142 (51/90) ======================= q-point: (-0.50 0.11 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -2.973 -2.346 9.513) 10.239 1.190 ( 2.973 -2.346 9.513) 10.239 1.361 ( -0.995 3.665 -1.020) 3.933 1.361 ( 0.995 3.665 -1.020) 3.933 1.423 ( -5.880 -0.946 13.114) 14.403 1.423 ( 5.880 -0.946 13.114) 14.403 1.925 ( -5.983 0.542 7.353) 9.495 1.925 ( 5.983 0.542 7.353) 9.495 2.128 ( -3.104 3.505 7.311) 8.682 2.128 ( 3.104 3.505 7.311) 8.682 2.269 ( -4.950 2.686 9.180) 10.770 2.269 ( 4.950 2.686 9.180) 10.770 2.372 ( -4.915 5.067 8.134) 10.770 2.372 ( 4.915 5.067 8.134) 10.770 2.626 ( -8.490 3.468 3.930) 9.977 2.626 ( 8.490 3.468 3.930) 9.977 2.844 ( -8.398 -4.576 3.509) 10.188 2.844 ( 8.398 -4.576 3.509) 10.188 3.093 ( -2.413 -0.364 -8.836) 9.167 3.093 ( 2.413 -0.364 -8.836) 9.167 3.321 ( -1.721 8.228 -7.264) 11.110 3.321 ( 1.721 8.228 -7.264) 11.110 3.515 ( -2.320 3.544 1.212) 4.406 3.515 ( 2.320 3.544 1.212) 4.406 3.768 ( -6.002 -4.928 0.839) 7.811 3.768 ( 6.002 -4.928 0.839) 7.811 3.860 ( -2.372 -3.955 0.300) 4.622 3.860 ( 2.372 -3.955 0.300) 4.622 3.976 ( -2.533 5.070 -0.975) 5.750 3.976 ( 2.533 5.070 -0.975) 5.750 4.132 ( -0.264 6.719 -4.059) 7.855 4.132 ( 0.264 6.719 -4.059) 7.855 4.417 ( -1.531 -1.534 -5.816) 6.207 4.417 ( 1.531 -1.534 -5.816) 6.207 5.041 ( -9.308 -8.190 -7.809) 14.652 5.041 ( 9.308 -8.190 -7.809) 14.652 13.812 ( -0.085 0.025 0.257) 0.272 13.812 ( 0.085 0.025 0.257) 0.272 13.815 ( -0.059 0.625 0.184) 0.654 13.815 ( 0.059 0.625 0.184) 0.654 13.971 ( -0.715 -0.325 0.752) 1.087 13.971 ( 0.715 -0.325 0.752) 1.087 14.026 ( -0.130 -0.167 -0.120) 0.243 14.026 ( 0.130 -0.167 -0.120) 0.243 17.738 ( -0.714 -0.357 0.303) 0.854 17.738 ( 0.714 -0.357 0.303) 0.854 17.813 ( -0.869 -1.541 -1.474) 2.303 17.813 ( 0.869 -1.541 -1.474) 2.303 27.230 ( -0.640 -3.455 0.203) 3.520 27.230 ( 0.640 -3.455 0.203) 3.520 27.308 ( -0.695 -1.573 -0.921) 1.950 27.308 ( 0.695 -1.573 -0.921) 1.950 27.545 ( -4.513 8.406 2.240) 9.800 27.545 ( 4.513 8.406 2.240) 9.800 27.845 ( -4.537 3.597 -0.729) 5.835 27.845 ( 4.537 3.597 -0.729) 5.835 27.989 ( -3.880 7.890 -1.522) 8.923 27.989 ( 3.880 7.890 -1.522) 8.923 29.163 ( -13.656 -4.246 3.000) 14.612 29.163 ( 13.656 -4.246 3.000) 14.612 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 0.000 4.761 12.248) 13.141 1.108 ( 0.000 -0.773 13.885) 13.907 1.329 ( 0.000 6.881 -0.069) 6.881 1.482 ( 0.000 3.919 2.344) 4.566 1.596 ( 0.000 2.470 2.332) 3.397 1.706 ( 0.000 2.871 3.367) 4.425 1.728 ( 0.000 0.150 3.011) 3.015 2.027 ( 0.000 -5.491 -0.175) 5.493 2.074 ( 0.000 1.784 5.776) 6.046 2.089 ( 0.000 0.613 -0.430) 0.749 2.334 ( 0.000 -2.833 7.258) 7.791 2.355 ( 0.000 7.636 7.522) 10.719 2.457 ( 0.000 -0.202 -0.758) 0.785 2.548 ( 0.000 11.222 10.203) 15.167 2.572 ( 0.000 7.795 4.046) 8.783 2.841 ( 0.000 3.317 3.281) 4.666 2.934 ( 0.000 4.445 7.491) 8.710 2.978 ( 0.000 -0.700 -1.234) 1.419 3.080 ( 0.000 4.184 4.515) 6.156 3.091 ( 0.000 -5.662 -7.177) 9.141 3.309 ( 0.000 -2.049 -5.576) 5.940 3.416 ( 0.000 -3.771 -3.122) 4.896 3.487 ( 0.000 5.693 -1.125) 5.804 3.586 ( 0.000 5.331 -4.880) 7.227 3.676 ( 0.000 6.166 -1.924) 6.459 3.720 ( 0.000 2.658 -0.398) 2.688 3.833 ( 0.000 -5.122 0.931) 5.206 3.913 ( 0.000 0.497 -1.556) 1.633 3.996 ( 0.000 5.297 -1.051) 5.400 4.055 ( 0.000 4.072 -1.362) 4.294 4.233 ( 0.000 1.228 -0.174) 1.240 4.290 ( 0.000 2.918 -3.860) 4.839 4.417 ( 0.000 0.406 -7.195) 7.206 4.440 ( 0.000 0.471 -8.461) 8.474 4.663 ( 0.000 -5.849 -5.526) 8.046 4.942 ( 0.000 -15.826 -5.685) 16.817 13.813 ( 0.000 0.526 0.562) 0.770 13.820 ( 0.000 0.637 0.351) 0.727 13.826 ( 0.000 0.861 0.461) 0.977 13.844 ( 0.000 1.438 0.110) 1.443 13.948 ( 0.000 -0.525 0.967) 1.100 13.997 ( 0.000 -0.559 0.459) 0.723 13.997 ( 0.000 -0.730 0.034) 0.730 14.013 ( 0.000 -0.639 0.339) 0.723 17.717 ( 0.000 -0.237 0.481) 0.536 17.746 ( 0.000 -0.842 -0.393) 0.929 17.762 ( 0.000 -1.184 -0.794) 1.426 17.785 ( 0.000 -2.225 -0.707) 2.335 27.155 ( 0.000 -3.317 0.655) 3.381 27.210 ( 0.000 -0.835 -0.382) 0.918 27.246 ( 0.000 -1.740 -1.540) 2.324 27.302 ( 0.000 -1.181 -1.028) 1.566 27.610 ( 0.000 7.145 5.161) 8.814 27.711 ( 0.000 1.152 5.914) 6.025 27.966 ( 0.000 8.689 -0.916) 8.737 28.007 ( 0.000 6.863 -1.550) 7.036 28.215 ( 0.000 10.626 -7.386) 12.941 28.230 ( 0.000 12.886 -5.299) 13.933 28.699 ( 0.000 -5.585 7.815) 9.606 29.328 ( 0.000 -8.635 -6.022) 10.528 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.25 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 9.013 4.024 10.296) 14.263 1.128 ( 2.168 -0.775 13.304) 13.501 1.357 ( 2.381 6.423 0.542) 6.872 1.435 ( -3.746 2.082 7.108) 8.300 1.517 ( -3.874 4.263 -2.260) 6.188 1.632 ( -8.408 2.007 6.563) 10.854 1.831 ( 7.432 2.228 1.816) 7.968 2.012 ( -2.138 -0.837 0.228) 2.307 2.085 ( 1.389 0.146 6.038) 6.197 2.153 ( 5.601 -1.710 1.026) 5.946 2.249 ( -3.957 -2.011 3.180) 5.461 2.401 ( -1.065 4.858 1.731) 5.266 2.490 ( 5.023 1.498 3.538) 6.324 2.503 ( -1.535 11.484 10.279) 15.489 2.602 ( -0.182 3.105 3.251) 4.500 2.816 ( -6.149 5.141 6.125) 10.087 2.853 ( -5.563 1.642 4.327) 7.236 2.906 ( -1.176 1.545 3.583) 4.076 3.060 ( 0.523 2.555 -0.157) 2.613 3.138 ( -0.995 0.711 -6.011) 6.134 3.367 ( 5.076 0.040 -5.540) 7.514 3.461 ( 4.023 -4.688 -2.598) 6.702 3.487 ( 0.727 4.872 -0.158) 4.929 3.621 ( 2.709 4.859 -3.912) 6.801 3.661 ( -1.507 6.205 -3.733) 7.397 3.743 ( 0.947 -0.170 0.332) 1.018 3.773 ( -4.046 -5.008 1.487) 6.608 3.872 ( -2.845 -0.001 0.258) 2.856 4.056 ( 3.659 5.055 -1.266) 6.367 4.064 ( 1.034 4.939 -1.365) 5.228 4.230 ( -0.103 2.805 -2.298) 3.628 4.289 ( -0.683 3.795 -4.049) 5.591 4.387 ( -2.234 0.362 -7.643) 7.971 4.414 ( -1.820 -1.371 -6.566) 6.950 4.733 ( 5.912 -7.268 -6.131) 11.197 4.918 ( -2.678 -14.333 -5.953) 15.749 13.814 ( 0.099 0.544 0.536) 0.770 13.818 ( -0.122 0.613 0.400) 0.742 13.828 ( 0.207 0.936 0.409) 1.042 13.840 ( -0.332 1.348 0.186) 1.401 13.951 ( 0.403 -0.531 0.918) 1.134 13.979 ( -0.976 -0.549 0.572) 1.257 14.011 ( 0.554 -0.753 0.011) 0.935 14.016 ( 0.263 -0.666 0.233) 0.753 17.720 ( 0.367 -0.312 0.393) 0.622 17.740 ( -0.540 -0.685 -0.151) 0.885 17.769 ( 0.524 -1.433 -0.934) 1.789 17.784 ( -0.198 -2.117 -0.805) 2.273 27.159 ( 0.560 -2.707 0.468) 2.803 27.201 ( -1.039 -1.046 -0.328) 1.510 27.255 ( 1.032 -1.761 -1.373) 2.460 27.296 ( -0.639 -1.297 -1.091) 1.811 27.630 ( 2.064 6.742 5.292) 8.816 27.711 ( -0.492 2.055 5.838) 6.208 27.920 ( -1.374 7.952 -0.565) 8.089 28.052 ( -2.269 2.799 2.329) 4.290 28.123 ( -0.661 14.321 -7.865) 16.351 28.244 ( -1.566 12.006 -6.084) 13.551 28.825 ( 11.389 -5.032 3.988) 13.074 29.252 ( -7.825 -7.755 -4.509) 11.904 ======================= Grid point 147 (54/90) ======================= q-point: (-0.50 0.22 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -0.970 1.045 9.974) 10.075 1.169 ( 0.970 1.045 9.974) 10.075 1.417 ( -3.577 3.256 6.224) 7.883 1.417 ( 3.577 3.256 6.224) 7.883 1.473 ( -2.285 4.506 1.654) 5.316 1.473 ( 2.285 4.506 1.654) 5.316 1.947 ( -4.826 1.740 1.478) 5.338 1.947 ( 4.826 1.740 1.478) 5.338 2.133 ( -3.777 -1.927 5.948) 7.305 2.133 ( 3.777 -1.927 5.948) 7.305 2.322 ( -6.753 2.532 -2.191) 7.537 2.322 ( 6.753 2.532 -2.191) 7.537 2.524 ( -3.681 4.066 6.346) 8.388 2.524 ( 3.681 4.066 6.346) 8.388 2.645 ( -8.508 1.636 4.047) 9.562 2.645 ( 8.508 1.636 4.047) 9.562 2.866 ( -3.252 6.500 8.499) 11.183 2.866 ( 3.252 6.500 8.499) 11.183 3.092 ( -2.889 1.098 -5.689) 6.474 3.092 ( 2.889 1.098 -5.689) 6.474 3.448 ( -3.036 3.602 -3.399) 5.809 3.448 ( 3.036 3.602 -3.399) 5.809 3.592 ( -6.349 -0.651 -3.580) 7.317 3.592 ( 6.349 -0.651 -3.580) 7.317 3.671 ( -2.979 0.082 0.126) 2.983 3.671 ( 2.979 0.082 0.126) 2.983 3.813 ( -3.433 -1.230 1.207) 3.841 3.813 ( 3.433 -1.230 1.207) 3.841 4.085 ( -0.597 5.640 -1.060) 5.770 4.085 ( 0.597 5.640 -1.060) 5.770 4.251 ( -2.501 4.932 -4.926) 7.406 4.251 ( 2.501 4.932 -4.926) 7.406 4.381 ( -1.314 -1.744 -6.137) 6.514 4.381 ( 1.314 -1.744 -6.137) 6.514 4.843 ( -5.265 -10.823 -6.307) 13.588 4.843 ( 5.265 -10.823 -6.307) 13.588 13.816 ( -0.139 0.577 0.470) 0.758 13.816 ( 0.139 0.577 0.470) 0.758 13.834 ( -0.355 1.132 0.317) 1.228 13.834 ( 0.355 1.132 0.317) 1.228 13.962 ( -0.760 -0.530 0.787) 1.216 13.962 ( 0.760 -0.530 0.787) 1.216 14.018 ( -0.148 -0.742 0.048) 0.758 14.018 ( 0.148 -0.742 0.048) 0.758 17.729 ( -0.537 -0.483 0.166) 0.742 17.729 ( 0.537 -0.483 0.166) 0.742 17.778 ( -0.408 -1.819 -0.957) 2.095 17.778 ( 0.408 -1.819 -0.957) 2.095 27.177 ( -1.296 -1.702 0.040) 2.140 27.177 ( 1.296 -1.702 0.040) 2.140 27.278 ( -1.207 -1.575 -1.217) 2.328 27.278 ( 1.207 -1.575 -1.217) 2.328 27.679 ( -2.714 5.080 5.476) 7.948 27.679 ( 2.714 5.080 5.476) 7.948 27.951 ( -4.559 5.609 0.707) 7.263 27.951 ( 4.559 5.609 0.707) 7.263 28.188 ( -4.083 11.806 -5.773) 13.761 28.188 ( 4.083 11.806 -5.773) 13.761 29.057 ( -12.292 -5.977 -0.850) 13.694 29.057 ( 12.292 -5.977 -0.850) 13.694 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 0.000 8.859 6.382) 10.919 1.164 ( 0.000 5.893 4.908) 7.669 1.466 ( 0.000 6.225 3.818) 7.303 1.537 ( 0.000 1.771 5.358) 5.643 1.660 ( 0.000 2.093 -2.606) 3.343 1.725 ( 0.000 -1.367 0.700) 1.536 1.790 ( 0.000 5.601 1.995) 5.946 1.922 ( 0.000 -3.150 3.964) 5.063 2.093 ( 0.000 -0.880 -4.269) 4.358 2.116 ( 0.000 2.464 -3.015) 3.894 2.306 ( 0.000 1.415 5.616) 5.792 2.378 ( 0.000 -5.137 1.747) 5.426 2.502 ( 0.000 6.678 3.175) 7.394 2.654 ( 0.000 -0.933 -1.315) 1.612 2.766 ( 0.000 7.807 -0.325) 7.814 2.854 ( 0.000 -1.330 -4.771) 4.953 2.951 ( 0.000 -7.646 -3.763) 8.522 2.981 ( 0.000 3.097 0.822) 3.204 3.074 ( 0.000 9.256 10.271) 13.826 3.185 ( 0.000 -0.228 0.986) 1.012 3.303 ( 0.000 5.157 0.413) 5.174 3.346 ( 0.000 -3.153 -3.461) 4.681 3.593 ( 0.000 5.042 -0.023) 5.042 3.680 ( 0.000 2.635 -2.710) 3.780 3.720 ( 0.000 -3.132 3.131) 4.429 3.761 ( 0.000 1.814 -4.458) 4.813 3.766 ( 0.000 0.880 -3.097) 3.220 3.920 ( 0.000 -0.770 -3.270) 3.360 4.105 ( 0.000 4.730 -0.736) 4.787 4.121 ( 0.000 2.639 -0.282) 2.654 4.260 ( 0.000 2.140 -0.208) 2.150 4.309 ( 0.000 0.164 -1.989) 1.995 4.428 ( 0.000 0.134 -7.249) 7.250 4.464 ( 0.000 1.069 -8.791) 8.855 4.556 ( 0.000 -4.524 -4.458) 6.352 4.669 ( 0.000 -11.077 -3.478) 11.611 13.833 ( 0.000 1.492 0.684) 1.642 13.841 ( 0.000 1.464 0.459) 1.535 13.847 ( 0.000 1.193 0.727) 1.397 13.870 ( 0.000 1.127 0.191) 1.143 13.938 ( 0.000 -0.403 1.140) 1.209 13.978 ( 0.000 -1.259 0.206) 1.276 13.979 ( 0.000 -1.194 0.491) 1.291 13.992 ( 0.000 -1.331 0.523) 1.430 17.713 ( 0.000 -0.082 0.208) 0.223 17.731 ( 0.000 -0.634 -0.421) 0.761 17.740 ( 0.000 -0.956 -0.576) 1.117 17.748 ( 0.000 -1.501 -0.469) 1.573 27.121 ( 0.000 -0.294 0.163) 0.337 27.197 ( 0.000 -0.913 -0.690) 1.144 27.217 ( 0.000 -0.809 -1.405) 1.621 27.275 ( 0.000 -1.476 -1.127) 1.857 27.737 ( 0.000 5.780 8.357) 10.161 27.753 ( 0.000 2.953 6.818) 7.430 28.052 ( 0.000 -0.604 3.764) 3.812 28.089 ( 0.000 2.657 5.486) 6.095 28.435 ( 0.000 9.416 -12.719) 15.825 28.480 ( 0.000 10.831 -6.465) 12.614 28.625 ( 0.000 0.018 -2.483) 2.483 29.154 ( 0.000 -8.838 -8.336) 12.149 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.25 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 4.177 5.964 8.400) 11.116 1.207 ( 5.686 8.192 2.210) 10.214 1.480 ( -3.759 1.924 6.321) 7.602 1.490 ( 1.589 6.299 3.994) 7.626 1.588 ( -3.797 2.699 0.411) 4.677 1.687 ( -6.174 3.120 2.217) 7.264 1.879 ( 7.409 0.635 -3.177) 8.086 1.976 ( 3.716 -2.173 2.449) 4.952 2.062 ( -1.335 -0.191 -1.317) 1.885 2.162 ( 3.507 -1.809 -3.860) 5.520 2.215 ( -6.008 2.916 5.801) 8.846 2.407 ( 3.140 -4.559 1.431) 5.717 2.511 ( -3.832 3.530 -1.966) 5.568 2.628 ( -5.541 1.130 0.317) 5.664 2.744 ( 0.880 6.199 1.971) 6.564 2.770 ( -0.667 -0.986 -0.967) 1.533 2.939 ( -2.213 4.901 -0.162) 5.380 3.010 ( -1.665 -0.567 -1.452) 2.281 3.118 ( 3.229 6.816 5.379) 9.264 3.230 ( 1.926 4.491 1.300) 5.057 3.271 ( 2.655 -5.401 -1.553) 6.216 3.409 ( 4.242 0.159 -1.366) 4.459 3.585 ( -0.837 4.392 0.487) 4.498 3.651 ( -5.805 -4.198 2.002) 7.439 3.714 ( 1.626 3.313 -5.478) 6.605 3.755 ( -0.480 2.020 -4.826) 5.254 3.764 ( 0.438 0.795 -0.227) 0.936 3.858 ( -4.738 -1.876 -0.071) 5.096 4.140 ( 3.646 4.076 -0.575) 5.499 4.181 ( 3.563 5.898 -1.649) 7.085 4.269 ( 1.243 1.259 -1.344) 2.222 4.312 ( 0.472 0.127 -2.352) 2.403 4.396 ( -3.146 -0.550 -6.953) 7.651 4.421 ( -3.203 1.873 -7.769) 8.610 4.599 ( 3.099 -5.961 -4.995) 8.372 4.666 ( -0.440 -10.497 -3.823) 11.180 13.834 ( 0.100 1.474 0.652) 1.615 13.839 ( -0.137 1.457 0.546) 1.562 13.850 ( 0.314 1.217 0.603) 1.394 13.867 ( -0.392 1.201 0.267) 1.291 13.941 ( 0.322 -0.510 1.065) 1.224 13.965 ( -0.828 -0.864 0.612) 1.344 13.988 ( 0.456 -1.543 0.300) 1.637 13.995 ( 0.182 -1.370 0.378) 1.433 17.716 ( 0.223 -0.148 0.144) 0.304 17.727 ( -0.325 -0.496 -0.253) 0.645 17.743 ( 0.210 -1.114 -0.650) 1.307 17.748 ( -0.042 -1.455 -0.529) 1.549 27.133 ( 1.200 -0.117 -0.023) 1.206 27.192 ( -1.054 0.071 -0.677) 1.255 27.220 ( 0.918 -1.755 -1.324) 2.383 27.267 ( -0.840 -1.574 -1.174) 2.136 27.750 ( 1.214 5.525 8.135) 9.909 27.764 ( 0.887 3.379 7.067) 7.883 28.012 ( -2.130 0.934 3.676) 4.349 28.077 ( -2.986 -0.494 6.447) 7.122 28.385 ( 0.066 11.564 -10.240) 15.447 28.493 ( -1.909 12.580 -8.612) 15.364 28.742 ( 10.297 -3.200 -3.968) 11.489 29.095 ( -6.086 -7.977 -7.650) 12.617 ======================= Grid point 152 (57/90) ======================= q-point: (-0.50 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -3.477 6.362 5.642) 9.187 1.246 ( 3.477 6.362 5.642) 9.187 1.500 ( -6.483 3.459 5.346) 9.087 1.500 ( 6.483 3.459 5.346) 9.087 1.555 ( -5.025 4.675 1.700) 7.071 1.555 ( 5.025 4.675 1.700) 7.071 1.982 ( -2.905 -0.189 -5.203) 5.962 1.982 ( 2.905 -0.189 -5.203) 5.962 2.094 ( -4.710 -0.269 6.130) 7.735 2.094 ( 4.710 -0.269 6.130) 7.735 2.320 ( -11.021 -3.527 -3.298) 12.032 2.320 ( 11.021 -3.527 -3.298) 12.032 2.514 ( -6.144 1.731 -0.075) 6.383 2.514 ( 6.144 1.731 -0.075) 6.383 2.780 ( -2.041 6.289 3.725) 7.589 2.780 ( 2.041 6.289 3.725) 7.589 2.940 ( -3.794 0.698 -1.994) 4.342 2.940 ( 3.794 0.698 -1.994) 4.342 3.181 ( -3.550 5.676 1.922) 6.965 3.181 ( 3.550 5.676 1.922) 6.965 3.417 ( -6.303 -4.140 -0.335) 7.548 3.417 ( 6.303 -4.140 -0.335) 7.548 3.566 ( -0.524 1.327 -0.323) 1.463 3.566 ( 0.524 1.327 -0.323) 1.463 3.740 ( -1.117 2.566 -4.997) 5.727 3.740 ( 1.117 2.566 -4.997) 5.727 3.790 ( -2.418 -1.252 1.461) 3.090 3.790 ( 2.418 -1.252 1.461) 3.090 4.199 ( -1.712 5.779 -0.425) 6.043 4.199 ( 1.712 5.779 -0.425) 6.043 4.312 ( -2.313 1.221 -3.625) 4.470 4.312 ( 2.313 1.221 -3.625) 4.470 4.363 ( -1.997 0.072 -6.785) 7.073 4.363 ( 1.997 0.072 -6.785) 7.073 4.646 ( -1.811 -8.610 -4.553) 9.907 4.646 ( 1.811 -8.610 -4.553) 9.907 13.836 ( -0.141 1.452 0.602) 1.578 13.836 ( 0.141 1.452 0.602) 1.578 13.858 ( -0.502 1.253 0.436) 1.419 13.858 ( 0.502 1.253 0.436) 1.419 13.950 ( -0.684 -0.673 0.876) 1.299 13.950 ( 0.684 -0.673 0.876) 1.299 13.995 ( -0.225 -1.515 0.299) 1.561 13.995 ( 0.225 -1.515 0.299) 1.561 17.721 ( -0.335 -0.305 -0.024) 0.453 17.721 ( 0.335 -0.305 -0.024) 0.453 17.746 ( -0.126 -1.322 -0.635) 1.472 17.746 ( 0.126 -1.322 -0.635) 1.472 27.162 ( -1.814 0.141 -0.431) 1.870 27.162 ( 1.814 0.141 -0.431) 1.870 27.245 ( -1.434 -1.771 -1.240) 2.594 27.245 ( 1.434 -1.771 -1.240) 2.594 27.770 ( -0.549 4.633 7.602) 8.919 27.770 ( 0.549 4.633 7.602) 8.919 28.011 ( -2.444 0.072 4.896) 5.472 28.011 ( 2.444 0.072 4.896) 5.472 28.433 ( -3.759 12.330 -8.838) 15.629 28.433 ( 3.759 12.330 -8.838) 15.629 28.940 ( -10.067 -5.829 -6.015) 13.096 28.940 ( 10.067 -5.829 -6.015) 13.096 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 0.000 6.526 0.712) 6.565 1.291 ( 0.000 4.924 -1.554) 5.164 1.562 ( 0.000 3.800 5.027) 6.301 1.565 ( 0.000 1.479 6.732) 6.893 1.622 ( 0.000 -4.287 2.959) 5.209 1.652 ( 0.000 -5.314 1.098) 5.427 1.911 ( 0.000 5.359 -0.488) 5.381 1.934 ( 0.000 2.233 0.337) 2.258 2.071 ( 0.000 -0.093 -1.504) 1.506 2.127 ( 0.000 -3.406 -3.782) 5.089 2.335 ( 0.000 3.173 -1.315) 3.434 2.379 ( 0.000 3.154 -2.037) 3.755 2.580 ( 0.000 -3.448 -2.037) 4.005 2.591 ( 0.000 0.798 -0.744) 1.091 2.773 ( 0.000 -4.314 -1.455) 4.553 2.790 ( 0.000 -3.804 -1.027) 3.940 2.936 ( 0.000 6.474 -1.310) 6.605 3.048 ( 0.000 -2.078 -0.898) 2.263 3.162 ( 0.000 3.310 -6.119) 6.957 3.238 ( 0.000 2.742 3.259) 4.259 3.290 ( 0.000 0.395 -2.641) 2.670 3.366 ( 0.000 -1.620 1.761) 2.393 3.681 ( 0.000 3.450 -2.040) 4.008 3.688 ( 0.000 2.557 -0.824) 2.687 3.740 ( 0.000 0.880 1.314) 1.581 3.766 ( 0.000 -0.920 -2.871) 3.014 3.785 ( 0.000 1.477 -1.692) 2.246 3.853 ( 0.000 -5.102 -1.048) 5.209 4.155 ( 0.000 0.814 0.246) 0.850 4.158 ( 0.000 0.729 0.674) 0.993 4.330 ( 0.000 2.108 -1.354) 2.505 4.336 ( 0.000 4.267 -0.871) 4.355 4.408 ( 0.000 -1.258 -4.982) 5.139 4.460 ( 0.000 -2.501 -6.320) 6.797 4.502 ( 0.000 -1.025 -5.112) 5.213 4.514 ( 0.000 -3.922 -3.578) 5.309 13.864 ( 0.000 1.325 0.640) 1.472 13.872 ( 0.000 1.306 0.524) 1.407 13.873 ( 0.000 1.290 0.796) 1.516 13.881 ( 0.000 -0.144 0.437) 0.460 13.935 ( 0.000 0.059 1.227) 1.228 13.948 ( 0.000 -1.539 0.703) 1.692 13.956 ( 0.000 -0.648 0.406) 0.765 13.966 ( 0.000 -1.178 0.443) 1.259 17.715 ( 0.000 0.239 -0.095) 0.257 17.722 ( 0.000 -0.365 -0.408) 0.547 17.726 ( 0.000 -0.397 -0.452) 0.601 17.727 ( 0.000 -0.592 -0.340) 0.682 27.134 ( 0.000 1.324 -0.409) 1.386 27.166 ( 0.000 -1.804 -0.806) 1.976 27.221 ( 0.000 0.919 -1.196) 1.509 27.246 ( 0.000 -1.427 -1.189) 1.857 27.817 ( 0.000 2.925 7.693) 8.231 27.829 ( 0.000 2.620 9.316) 9.677 28.030 ( 0.000 -0.278 7.683) 7.688 28.070 ( 0.000 -3.241 10.373) 10.867 28.558 ( 0.000 3.073 -12.559) 12.930 28.572 ( 0.000 1.163 -9.414) 9.486 28.772 ( 0.000 10.871 -9.740) 14.596 28.975 ( 0.000 -9.514 -9.862) 13.703 ======================= Grid point 156 (59/90) ======================= q-point: ( 0.25 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.302 ( 3.226 6.347 2.742) 7.629 1.354 ( 5.768 3.551 -1.260) 6.890 1.508 ( -4.026 2.426 5.850) 7.505 1.566 ( -2.042 -0.196 7.691) 7.959 1.630 ( 1.371 2.883 3.095) 4.446 1.715 ( 5.051 -3.317 -3.573) 7.020 1.849 ( -3.154 2.295 -0.113) 3.902 1.942 ( -1.823 -4.084 -2.256) 5.009 2.077 ( 1.890 2.690 0.533) 3.331 2.138 ( 1.986 -2.205 -2.423) 3.831 2.300 ( -6.872 4.446 0.661) 8.212 2.352 ( -1.380 -0.497 -1.271) 1.940 2.549 ( -1.956 1.712 -3.156) 4.089 2.640 ( 5.427 -6.724 -3.624) 9.370 2.702 ( -2.150 6.169 -0.636) 6.563 2.846 ( -2.162 -6.364 -1.529) 6.893 2.948 ( 3.005 5.712 -2.155) 6.805 3.061 ( 1.177 -0.353 -0.841) 1.489 3.120 ( -2.799 0.527 -3.447) 4.471 3.218 ( -2.955 -4.509 -2.274) 5.851 3.334 ( 5.819 7.301 3.015) 9.811 3.432 ( 5.606 -1.415 -0.367) 5.793 3.622 ( -5.920 3.240 0.907) 6.809 3.667 ( -3.162 1.609 -2.573) 4.383 3.748 ( 0.804 0.061 -0.818) 1.149 3.763 ( -0.345 -1.233 -0.525) 1.384 3.771 ( -1.119 0.708 -2.023) 2.417 3.802 ( -2.859 -2.536 0.815) 3.908 4.204 ( 4.687 2.118 -0.868) 5.216 4.232 ( 5.695 -0.723 -1.382) 5.905 4.325 ( -0.530 2.912 -1.179) 3.186 4.340 ( 0.061 3.011 -1.363) 3.306 4.388 ( -1.584 0.834 -5.053) 5.361 4.447 ( -1.966 0.543 -6.616) 6.923 4.496 ( -0.090 -4.977 -3.223) 5.930 4.511 ( -0.368 -4.502 -3.887) 5.959 13.865 ( 0.093 1.354 0.639) 1.500 13.870 ( -0.175 1.376 0.704) 1.556 13.874 ( 0.166 0.973 0.539) 1.124 13.881 ( -0.078 0.046 0.445) 0.454 13.936 ( 0.129 0.113 1.127) 1.140 13.950 ( -0.356 -0.296 0.614) 0.769 13.954 ( 0.313 -1.649 0.662) 1.804 13.966 ( -0.101 -1.453 0.452) 1.525 17.716 ( 0.123 0.208 -0.132) 0.275 17.721 ( -0.089 -0.116 -0.356) 0.385 17.726 ( -0.002 -0.636 -0.385) 0.743 17.727 ( -0.006 -0.582 -0.429) 0.723 27.147 ( 1.335 1.344 -0.556) 1.974 27.179 ( 1.272 -1.727 -0.894) 2.324 27.209 ( -1.227 0.968 -1.131) 1.930 27.236 ( -1.043 -1.544 -1.182) 2.206 27.834 ( 1.761 3.408 7.717) 8.617 27.847 ( 1.783 3.224 9.297) 10.000 27.993 ( -3.063 -1.060 7.168) 7.867 28.030 ( -3.846 -3.660 9.528) 10.907 28.571 ( 3.248 7.170 -10.913) 13.456 28.668 ( 6.845 -1.912 -9.689) 12.016 28.742 ( -2.760 9.331 -9.695) 13.736 28.931 ( -4.486 -8.839 -9.659) 13.840 ======================= Grid point 157 (60/90) ======================= q-point: (-0.50 0.44 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -4.941 6.917 4.149) 9.459 1.387 ( 4.941 6.917 4.149) 9.459 1.493 ( -5.013 -3.423 3.882) 7.206 1.493 ( 5.013 -3.423 3.882) 7.206 1.699 ( -4.949 8.978 0.723) 10.277 1.699 ( 4.949 8.978 0.723) 10.277 1.880 ( -4.244 -8.539 -3.697) 10.227 1.880 ( 4.244 -8.539 -3.697) 10.227 2.155 ( -5.545 4.581 1.396) 7.327 2.155 ( 5.545 4.581 1.396) 7.327 2.240 ( -6.578 -3.972 -0.639) 7.711 2.240 ( 6.578 -3.972 -0.639) 7.711 2.611 ( -6.074 7.211 -3.152) 9.941 2.611 ( 6.074 7.211 -3.152) 9.941 2.764 ( -6.044 -6.735 -3.092) 9.563 2.764 ( 6.044 -6.735 -3.092) 9.563 3.016 ( -4.238 6.619 -1.544) 8.010 3.016 ( 4.238 6.619 -1.544) 8.010 3.151 ( -3.959 -6.435 -1.742) 7.754 3.151 ( 3.959 -6.435 -1.742) 7.754 3.468 ( -7.128 6.618 1.852) 9.901 3.468 ( 7.128 6.618 1.852) 9.901 3.567 ( -5.784 -2.433 -1.176) 6.384 3.567 ( 5.784 -2.433 -1.176) 6.384 3.756 ( -0.476 0.413 -0.020) 0.630 3.756 ( 0.476 0.413 -0.020) 0.630 3.774 ( -1.067 -0.802 -0.870) 1.593 3.774 ( 1.067 -0.802 -0.870) 1.593 4.290 ( -3.748 2.629 -1.817) 4.925 4.290 ( 3.748 2.629 -1.817) 4.925 4.317 ( -2.670 -0.535 -2.684) 3.824 4.317 ( 2.670 -0.535 -2.684) 3.824 4.394 ( -2.672 3.923 -4.646) 6.641 4.394 ( 2.672 3.923 -4.646) 6.641 4.502 ( -0.507 -6.327 -3.319) 7.163 4.502 ( 0.507 -6.327 -3.319) 7.163 13.867 ( -0.163 1.382 0.657) 1.539 13.867 ( 0.163 1.382 0.657) 1.539 13.878 ( -0.223 0.487 0.474) 0.715 13.878 ( 0.223 0.487 0.474) 0.715 13.941 ( -0.438 0.071 0.893) 0.997 13.941 ( 0.438 0.071 0.893) 0.997 13.961 ( -0.374 -1.711 0.569) 1.841 13.961 ( 0.374 -1.711 0.569) 1.841 17.719 ( -0.167 0.115 -0.229) 0.306 17.719 ( 0.167 0.115 -0.229) 0.306 17.727 ( -0.054 -0.683 -0.426) 0.807 17.727 ( 0.054 -0.683 -0.426) 0.807 27.178 ( -1.799 1.305 -0.846) 2.378 27.178 ( 1.799 1.305 -0.846) 2.378 27.209 ( -1.619 -1.770 -1.118) 2.647 27.209 ( 1.619 -1.770 -1.118) 2.647 27.868 ( -0.813 5.180 8.476) 9.967 27.868 ( 0.813 5.180 8.476) 9.967 27.965 ( -1.591 -4.186 7.873) 9.057 27.965 ( 1.591 -4.186 7.873) 9.057 28.654 ( -4.914 9.774 -9.986) 14.812 28.654 ( 4.914 9.774 -9.986) 14.812 28.818 ( -7.269 -6.914 -9.352) 13.715 28.818 ( 7.269 -6.914 -9.352) 13.715 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 0.000 0.000 -4.324) 4.324 1.207 ( 0.000 0.000 -8.735) 8.735 1.297 ( 0.000 0.000 17.461) 17.461 1.580 ( 0.000 0.000 10.410) 10.410 1.792 ( 0.000 0.000 1.798) 1.798 1.805 ( 0.000 0.000 6.907) 6.907 1.933 ( 0.000 0.000 16.275) 16.275 1.980 ( 0.000 0.000 -5.547) 5.547 2.227 ( 0.000 0.000 1.788) 1.788 2.271 ( 0.000 0.000 9.590) 9.590 2.370 ( 0.000 0.000 6.240) 6.240 2.390 ( 0.000 0.000 13.327) 13.327 2.477 ( 0.000 0.000 3.214) 3.214 2.559 ( 0.000 0.000 9.338) 9.338 2.593 ( 0.000 0.000 4.693) 4.693 2.863 ( 0.000 0.000 -9.524) 9.524 2.937 ( 0.000 0.000 4.717) 4.717 2.971 ( 0.000 0.000 -9.309) 9.309 3.002 ( 0.000 0.000 8.177) 8.177 3.020 ( 0.000 0.000 -5.826) 5.826 3.098 ( 0.000 0.000 -6.437) 6.437 3.108 ( 0.000 0.000 2.850) 2.850 3.527 ( 0.000 0.000 3.624) 3.624 3.541 ( 0.000 0.000 1.991) 1.991 3.701 ( 0.000 0.000 4.391) 4.391 3.738 ( 0.000 0.000 7.211) 7.211 3.838 ( 0.000 0.000 0.618) 0.618 3.859 ( 0.000 0.000 -0.183) 0.183 3.939 ( 0.000 0.000 -2.042) 2.042 3.953 ( 0.000 0.000 -2.864) 2.864 4.051 ( 0.000 0.000 -1.559) 1.559 4.241 ( 0.000 0.000 3.004) 3.004 4.280 ( 0.000 0.000 -6.529) 6.529 4.322 ( 0.000 0.000 -8.578) 8.578 4.664 ( 0.000 0.000 -7.880) 7.880 5.138 ( 0.000 0.000 -13.676) 13.676 13.808 ( 0.000 0.000 0.112) 0.112 13.809 ( 0.000 0.000 0.077) 0.077 13.816 ( 0.000 0.000 0.104) 0.104 13.817 ( 0.000 0.000 0.096) 0.096 13.974 ( 0.000 0.000 0.466) 0.466 14.002 ( 0.000 0.000 -0.608) 0.608 14.014 ( 0.000 0.000 0.450) 0.450 14.025 ( 0.000 0.000 0.311) 0.311 17.742 ( 0.000 0.000 1.050) 1.050 17.758 ( 0.000 0.000 -0.632) 0.632 17.770 ( 0.000 0.000 -1.037) 1.037 17.819 ( 0.000 0.000 -1.625) 1.625 27.246 ( 0.000 0.000 0.458) 0.458 27.271 ( 0.000 0.000 -1.109) 1.109 27.298 ( 0.000 0.000 -1.811) 1.811 27.363 ( 0.000 0.000 -2.930) 2.930 27.406 ( 0.000 0.000 3.579) 3.579 27.587 ( 0.000 0.000 3.483) 3.483 27.637 ( 0.000 0.000 -3.821) 3.821 27.815 ( 0.000 0.000 -3.837) 3.837 27.854 ( 0.000 0.000 5.670) 5.670 28.061 ( 0.000 0.000 -0.925) 0.925 29.077 ( 0.000 0.000 10.480) 10.480 29.460 ( 0.000 0.000 -4.043) 4.043 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.25 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 2.574 0.000 -4.907) 5.541 1.183 ( -2.515 0.000 -7.977) 8.364 1.383 ( 8.511 0.000 15.972) 18.098 1.598 ( 1.894 0.000 9.839) 10.020 1.726 ( -6.754 0.000 8.907) 11.178 1.729 ( -4.639 0.000 6.064) 7.635 2.009 ( 6.051 0.000 12.219) 13.635 2.053 ( 5.172 0.000 -5.279) 7.390 2.196 ( -2.946 0.000 0.381) 2.971 2.224 ( -4.365 0.000 9.816) 10.742 2.394 ( 1.948 0.000 5.517) 5.851 2.418 ( 3.278 0.000 13.083) 13.487 2.464 ( -1.328 0.000 3.522) 3.764 2.546 ( 0.742 0.000 7.173) 7.211 2.613 ( -0.788 0.000 6.668) 6.714 2.840 ( -10.056 0.000 0.354) 10.062 2.880 ( 1.672 0.000 -9.106) 9.258 2.930 ( 0.243 0.000 12.140) 12.142 2.954 ( -1.596 0.000 -8.527) 8.675 3.035 ( 1.410 0.000 -6.589) 6.738 3.089 ( -0.951 0.000 -6.566) 6.635 3.134 ( -3.428 0.000 6.246) 7.125 3.476 ( 1.375 0.000 1.799) 2.265 3.591 ( -0.260 0.000 3.171) 3.182 3.748 ( 6.041 0.000 4.067) 7.282 3.839 ( 0.231 0.000 0.447) 0.503 3.841 ( 8.177 0.000 5.083) 9.628 3.857 ( -0.308 0.000 0.004) 0.308 3.940 ( 0.206 0.000 -2.254) 2.263 3.952 ( -0.142 0.000 -2.657) 2.661 4.008 ( -4.358 0.000 -0.868) 4.444 4.145 ( -7.538 0.000 -0.227) 7.541 4.282 ( 1.672 0.000 -6.125) 6.349 4.356 ( -0.182 0.000 -3.375) 3.380 4.748 ( 8.186 0.000 -10.198) 13.077 5.078 ( -6.176 0.000 -13.219) 14.591 13.808 ( 0.013 0.000 0.107) 0.108 13.809 ( -0.014 0.000 0.083) 0.084 13.816 ( 0.011 0.000 0.102) 0.102 13.817 ( -0.010 0.000 0.096) 0.097 13.976 ( 0.299 0.000 0.432) 0.526 13.995 ( -0.579 0.000 -0.080) 0.585 14.019 ( 0.352 0.000 0.096) 0.365 14.026 ( 0.065 0.000 0.098) 0.118 17.744 ( 0.238 0.000 0.785) 0.820 17.755 ( -0.251 0.000 -0.057) 0.257 17.778 ( 0.793 0.000 -1.418) 1.624 17.812 ( -0.692 0.000 -1.609) 1.752 27.252 ( 0.558 0.000 0.077) 0.563 27.269 ( -0.203 0.000 -1.054) 1.074 27.304 ( 0.631 0.000 -1.661) 1.776 27.350 ( -1.312 0.000 -2.364) 2.703 27.422 ( 1.644 0.000 3.356) 3.738 27.530 ( -3.779 0.000 2.149) 4.348 27.693 ( 3.736 0.000 -2.475) 4.481 27.800 ( -1.601 0.000 -3.626) 3.964 27.884 ( 2.956 0.000 4.758) 5.601 28.028 ( -3.277 0.000 0.333) 3.294 29.137 ( 5.972 0.000 7.971) 9.960 29.407 ( -5.492 0.000 -2.110) 5.883 ======================= Grid point 182 (63/90) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( -3.575 0.000 -6.364) 7.299 1.123 ( 3.575 0.000 -6.364) 7.299 1.568 ( -10.004 0.000 12.851) 16.286 1.568 ( 10.004 0.000 12.851) 16.286 1.650 ( -3.615 0.000 8.464) 9.203 1.650 ( 3.615 0.000 8.464) 9.203 2.125 ( -6.016 0.000 10.424) 12.035 2.125 ( 6.016 0.000 10.424) 12.035 2.133 ( -3.610 0.000 -2.986) 4.685 2.133 ( 3.610 0.000 -2.986) 4.685 2.432 ( -1.999 0.000 4.345) 4.782 2.432 ( 1.999 0.000 4.345) 4.782 2.508 ( -5.526 0.000 12.407) 13.582 2.508 ( 5.526 0.000 12.407) 13.582 2.660 ( -7.963 0.000 1.437) 8.091 2.660 ( 7.963 0.000 1.437) 8.091 2.918 ( -2.143 0.000 -8.464) 8.731 2.918 ( 2.143 0.000 -8.464) 8.731 3.012 ( -7.246 0.000 9.769) 12.163 3.012 ( 7.246 0.000 9.769) 12.163 3.064 ( -1.550 0.000 -6.786) 6.960 3.064 ( 1.550 0.000 -6.786) 6.960 3.544 ( -4.039 0.000 2.284) 4.640 3.544 ( 4.039 0.000 2.284) 4.640 3.847 ( -0.574 0.000 0.216) 0.613 3.847 ( 0.574 0.000 0.216) 0.613 3.886 ( -7.109 0.000 1.573) 7.281 3.886 ( 7.109 0.000 1.573) 7.281 3.947 ( -0.426 0.000 -2.441) 2.478 3.947 ( 0.426 0.000 -2.441) 2.478 4.003 ( -7.526 0.000 2.104) 7.815 4.003 ( 7.526 0.000 2.104) 7.815 4.323 ( -2.494 0.000 -4.408) 5.064 4.323 ( 2.494 0.000 -4.408) 5.064 4.925 ( -9.687 0.000 -12.110) 15.507 4.925 ( 9.687 0.000 -12.110) 15.507 13.809 ( -0.019 0.000 0.096) 0.098 13.809 ( 0.019 0.000 0.096) 0.098 13.817 ( -0.015 0.000 0.098) 0.099 13.817 ( 0.015 0.000 0.098) 0.099 13.984 ( -0.537 0.000 0.289) 0.610 13.984 ( 0.537 0.000 0.289) 0.610 14.025 ( -0.241 0.000 -0.051) 0.246 14.025 ( 0.241 0.000 -0.051) 0.246 17.750 ( -0.336 0.000 0.391) 0.516 17.750 ( 0.336 0.000 0.391) 0.516 17.796 ( -1.018 0.000 -1.568) 1.869 17.796 ( 1.018 0.000 -1.568) 1.869 27.263 ( -0.497 0.000 -0.685) 0.846 27.263 ( 0.497 0.000 -0.685) 0.846 27.323 ( -1.381 0.000 -1.637) 2.142 27.323 ( 1.381 0.000 -1.637) 2.142 27.466 ( -3.008 0.000 2.765) 4.086 27.466 ( 3.008 0.000 2.765) 4.086 27.757 ( -2.947 0.000 -3.063) 4.251 27.757 ( 2.947 0.000 -3.063) 4.251 27.954 ( -4.247 0.000 2.700) 5.033 27.954 ( 4.247 0.000 2.700) 5.033 29.275 ( -7.978 0.000 2.677) 8.415 29.275 ( 7.978 0.000 2.677) 8.415 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 0.000 7.119 -3.145) 7.782 1.200 ( 0.000 -0.372 4.777) 4.792 1.342 ( 0.000 4.187 3.947) 5.754 1.510 ( 0.000 -5.943 10.742) 12.276 1.754 ( 0.000 -1.772 2.781) 3.298 1.800 ( 0.000 -8.710 9.037) 12.551 1.825 ( 0.000 0.434 4.758) 4.778 2.020 ( 0.000 0.516 0.016) 0.517 2.216 ( 0.000 -1.450 0.356) 1.493 2.229 ( 0.000 -4.177 8.686) 9.638 2.361 ( 0.000 0.738 3.773) 3.845 2.464 ( 0.000 -0.507 1.871) 1.939 2.477 ( 0.000 4.480 8.744) 9.824 2.600 ( 0.000 3.047 9.110) 9.607 2.623 ( 0.000 4.370 10.578) 11.445 2.826 ( 0.000 -2.737 -7.185) 7.688 2.955 ( 0.000 1.588 -0.255) 1.608 2.973 ( 0.000 -0.161 -8.392) 8.394 3.008 ( 0.000 2.036 5.248) 5.629 3.102 ( 0.000 6.591 -2.371) 7.005 3.142 ( 0.000 2.980 2.793) 4.085 3.207 ( 0.000 8.154 -5.437) 9.800 3.490 ( 0.000 -3.079 2.511) 3.973 3.523 ( 0.000 -1.192 2.229) 2.528 3.698 ( 0.000 0.055 2.621) 2.621 3.728 ( 0.000 -0.064 8.122) 8.122 3.872 ( 0.000 0.494 -1.038) 1.150 3.873 ( 0.000 2.297 0.223) 2.307 3.932 ( 0.000 -0.097 -0.957) 0.962 3.972 ( 0.000 2.437 -1.155) 2.697 4.109 ( 0.000 4.882 -3.297) 5.892 4.240 ( 0.000 -0.126 1.120) 1.127 4.284 ( 0.000 0.530 -4.755) 4.784 4.306 ( 0.000 -1.386 -8.323) 8.437 4.626 ( 0.000 -3.609 -7.586) 8.401 5.037 ( 0.000 -9.550 -11.900) 15.258 13.814 ( 0.000 0.336 0.175) 0.379 13.817 ( 0.000 0.373 0.099) 0.385 13.819 ( 0.000 0.380 0.229) 0.444 13.820 ( 0.000 0.892 0.150) 0.904 13.971 ( 0.000 -0.274 0.559) 0.623 14.001 ( 0.000 -0.171 -0.534) 0.561 14.013 ( 0.000 -0.192 0.468) 0.506 14.024 ( 0.000 -0.079 0.271) 0.282 17.738 ( 0.000 -0.362 0.950) 1.016 17.752 ( 0.000 -0.602 -0.594) 0.846 17.763 ( 0.000 -0.669 -0.969) 1.178 17.804 ( 0.000 -1.415 -1.296) 1.919 27.232 ( 0.000 -1.362 0.291) 1.393 27.252 ( 0.000 -1.547 -1.162) 1.935 27.264 ( 0.000 -6.010 -0.152) 6.011 27.292 ( 0.000 -0.781 -1.780) 1.944 27.503 ( 0.000 8.577 2.794) 9.020 27.722 ( 0.000 7.929 -3.964) 8.865 27.734 ( 0.000 11.080 0.069) 11.080 27.797 ( 0.000 0.025 2.485) 2.485 27.954 ( 0.000 7.781 -0.692) 7.811 28.078 ( 0.000 1.734 -1.158) 2.085 29.019 ( 0.000 -5.692 10.015) 11.519 29.394 ( 0.000 -6.442 -4.119) 7.647 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.25 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( 2.242 6.605 -3.684) 7.888 1.217 ( -0.017 3.101 -2.637) 4.071 1.385 ( 5.341 0.357 10.063) 11.398 1.517 ( 0.505 -6.331 10.198) 12.014 1.663 ( -4.061 -3.638 8.070) 9.740 1.769 ( -5.299 1.163 7.307) 9.101 1.925 ( 7.717 -5.489 5.342) 10.873 2.062 ( 3.277 -1.375 -0.859) 3.656 2.162 ( -3.248 -1.867 4.163) 5.601 2.245 ( -1.597 0.317 2.443) 2.935 2.348 ( 0.148 -2.112 5.535) 5.926 2.438 ( -2.144 -1.002 3.585) 4.296 2.519 ( 3.937 3.942 5.648) 7.934 2.565 ( -0.366 4.342 11.145) 11.967 2.659 ( 0.234 2.280 6.457) 6.852 2.825 ( -6.221 -0.222 -1.869) 6.500 2.866 ( -0.814 -1.688 -6.964) 7.212 2.955 ( -2.045 2.500 4.665) 5.674 2.971 ( -0.852 2.578 -2.113) 3.440 3.104 ( -2.955 3.481 5.006) 6.776 3.135 ( 1.403 5.831 -7.399) 9.524 3.225 ( -0.926 7.890 -1.599) 8.104 3.475 ( 2.706 0.149 1.226) 2.974 3.589 ( 1.688 -0.414 1.735) 2.456 3.697 ( 2.447 -3.403 3.464) 5.437 3.804 ( 5.062 -1.295 4.523) 6.910 3.847 ( -1.693 -1.734 -0.184) 2.431 3.878 ( -0.274 -0.252 -0.125) 0.392 3.939 ( 0.769 3.220 -0.469) 3.343 3.984 ( 1.589 3.459 -0.232) 3.814 4.089 ( -1.873 5.632 -3.061) 6.678 4.160 ( -6.496 1.482 -1.250) 6.779 4.272 ( 1.373 -0.807 -5.784) 5.999 4.340 ( -0.307 -1.410 -3.154) 3.469 4.701 ( 7.278 -4.382 -9.517) 12.757 4.987 ( -5.196 -8.630 -11.656) 15.406 13.815 ( 0.071 0.383 0.180) 0.429 13.817 ( 0.028 0.383 0.118) 0.402 13.818 ( -0.059 0.423 0.210) 0.476 13.819 ( -0.072 0.757 0.160) 0.777 13.973 ( 0.307 -0.271 0.515) 0.658 13.993 ( -0.616 -0.227 0.002) 0.657 14.018 ( 0.394 -0.114 0.074) 0.417 14.026 ( 0.056 -0.101 0.103) 0.155 17.740 ( 0.206 -0.393 0.694) 0.824 17.750 ( -0.204 -0.541 -0.075) 0.583 17.769 ( 0.658 -0.809 -1.273) 1.646 17.798 ( -0.578 -1.314 -1.309) 1.943 27.230 ( -0.076 -1.997 0.331) 2.026 27.242 ( -0.650 -2.959 -0.395) 3.055 27.274 ( 0.676 -3.619 -0.892) 3.788 27.291 ( -0.188 -1.073 -1.681) 2.003 27.523 ( 2.132 8.747 2.387) 9.315 27.652 ( -4.209 9.281 -0.469) 10.201 27.778 ( 2.252 6.427 -0.953) 6.877 27.824 ( 1.545 3.838 -1.061) 4.271 27.953 ( 0.450 6.256 0.663) 6.307 28.049 ( -2.803 2.266 -0.262) 3.614 29.079 ( 5.947 -5.668 7.464) 11.100 29.343 ( -5.280 -6.234 -2.311) 8.490 ======================= Grid point 187 (66/90) ======================= q-point: (-0.50 0.11 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -2.806 5.819 -4.930) 8.126 1.185 ( 2.806 5.819 -4.930) 8.126 1.495 ( -4.126 -5.641 10.182) 12.349 1.495 ( 4.126 -5.641 10.182) 12.349 1.661 ( -4.562 0.351 10.160) 11.143 1.661 ( 4.562 0.351 10.160) 11.143 2.050 ( -5.135 -5.084 4.065) 8.291 2.050 ( 5.135 -5.084 4.065) 8.291 2.170 ( -4.433 1.778 0.942) 4.868 2.170 ( 4.433 1.778 0.942) 4.868 2.388 ( -3.025 -2.435 4.757) 6.141 2.388 ( 3.025 -2.435 4.757) 6.141 2.588 ( -0.843 3.766 9.278) 10.049 2.588 ( 0.843 3.766 9.278) 10.049 2.666 ( -6.141 1.587 0.581) 6.369 2.666 ( 6.141 1.587 0.581) 6.369 2.912 ( -3.055 -0.908 -6.931) 7.629 2.912 ( 3.055 -0.908 -6.931) 7.629 3.013 ( -5.037 3.157 8.400) 10.290 3.013 ( 5.037 3.157 8.400) 10.290 3.182 ( -2.809 8.311 -4.803) 10.002 3.182 ( 2.809 8.311 -4.803) 10.002 3.554 ( -4.147 1.042 1.700) 4.601 3.554 ( 4.147 1.042 1.700) 4.601 3.780 ( -4.621 -4.989 0.684) 6.834 3.780 ( 4.621 -4.989 0.684) 6.834 3.869 ( -0.971 -1.849 0.374) 2.122 3.869 ( 0.971 -1.849 0.374) 2.122 3.988 ( -3.348 4.520 1.618) 5.853 3.988 ( 3.348 4.520 1.618) 5.853 4.069 ( -1.947 4.629 -2.006) 5.407 4.069 ( 1.947 4.629 -2.006) 5.407 4.309 ( -2.285 -1.303 -4.172) 4.932 4.309 ( 2.285 -1.303 -4.172) 4.932 4.856 ( -8.353 -6.479 -10.976) 15.239 4.856 ( 8.353 -6.479 -10.976) 15.239 13.816 ( -0.108 0.470 0.190) 0.519 13.816 ( 0.108 0.470 0.190) 0.519 13.818 ( -0.052 0.486 0.151) 0.511 13.818 ( 0.052 0.486 0.151) 0.511 13.982 ( -0.552 -0.257 0.356) 0.705 13.982 ( 0.552 -0.257 0.356) 0.705 14.024 ( -0.229 -0.098 -0.044) 0.253 14.024 ( 0.229 -0.098 -0.044) 0.253 17.745 ( -0.293 -0.463 0.330) 0.639 17.745 ( 0.293 -0.463 0.330) 0.639 17.784 ( -0.855 -1.070 -1.337) 1.914 17.784 ( 0.855 -1.070 -1.337) 1.914 27.232 ( -0.341 -2.810 0.155) 2.835 27.232 ( 0.341 -2.810 0.155) 2.835 27.285 ( -0.464 -1.986 -1.394) 2.471 27.285 ( 0.464 -1.986 -1.394) 2.471 27.578 ( -3.597 9.045 1.258) 9.815 27.578 ( 3.597 9.045 1.258) 9.815 27.819 ( -1.810 5.513 -1.867) 6.096 27.819 ( 1.810 5.513 -1.867) 6.096 27.989 ( -3.144 3.701 1.104) 4.980 27.989 ( 3.144 3.701 1.104) 4.980 29.215 ( -7.785 -5.843 2.250) 9.990 29.215 ( 7.785 -5.843 2.250) 9.990 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 0.000 0.839 11.185) 11.217 1.275 ( 0.000 6.475 1.351) 6.614 1.416 ( 0.000 -0.455 9.009) 9.020 1.446 ( 0.000 5.816 -3.801) 6.948 1.644 ( 0.000 -6.073 2.877) 6.720 1.740 ( 0.000 0.234 0.245) 0.339 1.828 ( 0.000 0.331 5.066) 5.077 1.998 ( 0.000 -2.139 -0.508) 2.199 2.133 ( 0.000 -4.743 5.161) 7.010 2.172 ( 0.000 -2.931 1.986) 3.541 2.387 ( 0.000 1.518 -1.569) 2.183 2.440 ( 0.000 -2.327 2.419) 3.357 2.528 ( 0.000 1.071 6.422) 6.510 2.653 ( 0.000 1.191 3.579) 3.772 2.719 ( 0.000 3.146 6.332) 7.070 2.780 ( 0.000 -1.190 -4.178) 4.344 2.959 ( 0.000 -1.591 -5.499) 5.725 2.977 ( 0.000 0.246 -1.119) 1.146 3.095 ( 0.000 6.813 7.302) 9.987 3.178 ( 0.000 0.153 -6.014) 6.016 3.243 ( 0.000 6.358 6.869) 9.360 3.317 ( 0.000 0.481 -5.589) 5.610 3.470 ( 0.000 3.150 1.014) 3.309 3.538 ( 0.000 3.601 1.358) 3.849 3.707 ( 0.000 0.671 -0.180) 0.694 3.743 ( 0.000 1.031 6.134) 6.220 3.859 ( 0.000 -2.946 1.032) 3.121 3.873 ( 0.000 0.026 -2.318) 2.318 3.989 ( 0.000 5.080 -0.034) 5.080 4.046 ( 0.000 4.475 0.594) 4.514 4.208 ( 0.000 4.481 -4.371) 6.260 4.241 ( 0.000 0.359 -0.911) 0.979 4.283 ( 0.000 -0.361 -7.427) 7.436 4.303 ( 0.000 1.373 -2.522) 2.871 4.540 ( 0.000 -4.585 -6.574) 8.015 4.807 ( 0.000 -12.359 -8.032) 14.740 13.823 ( 0.000 0.742 0.436) 0.861 13.827 ( 0.000 0.775 0.300) 0.831 13.835 ( 0.000 1.113 0.424) 1.191 13.846 ( 0.000 1.493 0.073) 1.495 13.964 ( 0.000 -0.353 0.741) 0.821 13.994 ( 0.000 -0.490 -0.302) 0.576 14.006 ( 0.000 -0.537 0.494) 0.730 14.019 ( 0.000 -0.560 0.242) 0.610 17.729 ( 0.000 -0.526 0.684) 0.863 17.737 ( 0.000 -0.812 -0.517) 0.963 17.746 ( 0.000 -0.949 -0.800) 1.241 17.771 ( 0.000 -1.762 -0.734) 1.909 27.169 ( 0.000 -3.364 0.744) 3.445 27.202 ( 0.000 -1.303 -0.434) 1.373 27.221 ( 0.000 -1.548 -0.826) 1.755 27.273 ( 0.000 -1.204 -1.783) 2.152 27.701 ( 0.000 10.454 4.088) 11.224 27.820 ( 0.000 2.246 4.807) 5.306 27.917 ( 0.000 10.931 -3.506) 11.479 27.953 ( 0.000 9.920 -2.938) 10.346 28.133 ( 0.000 4.082 -2.228) 4.650 28.137 ( 0.000 10.346 -3.929) 11.067 28.864 ( 0.000 -9.600 8.516) 12.833 29.223 ( 0.000 -10.296 -4.792) 11.357 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.25 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( 3.607 2.034 6.393) 7.617 1.303 ( 2.131 4.710 2.928) 5.942 1.398 ( -0.265 1.458 3.444) 3.750 1.454 ( -0.208 3.535 0.526) 3.580 1.607 ( -0.858 -1.638 8.798) 8.991 1.778 ( -4.249 -0.369 5.545) 6.996 1.836 ( 6.359 -2.580 0.091) 6.863 1.998 ( -0.786 -3.908 -0.641) 4.037 2.137 ( 1.458 -1.557 1.340) 2.519 2.210 ( 3.290 -3.419 2.479) 5.354 2.328 ( -4.732 -0.055 2.724) 5.461 2.418 ( -2.557 -0.843 2.715) 3.824 2.545 ( 0.990 -0.726 2.725) 2.989 2.641 ( -2.513 -2.187 0.719) 3.409 2.705 ( 0.599 6.761 8.466) 10.850 2.799 ( 1.717 -4.507 -5.348) 7.201 2.867 ( -5.454 2.857 1.645) 6.373 2.962 ( -3.485 -0.979 -6.397) 7.350 3.094 ( 0.551 7.691 6.975) 10.398 3.178 ( -2.158 3.467 0.581) 4.125 3.254 ( 3.776 4.561 -1.149) 6.031 3.369 ( 1.847 4.459 -2.694) 5.527 3.487 ( 2.893 1.761 0.891) 3.502 3.581 ( 3.875 1.347 0.113) 4.104 3.668 ( -2.801 0.191 1.899) 3.389 3.773 ( -2.165 -3.390 1.469) 4.282 3.802 ( 0.060 -0.560 2.171) 2.243 3.872 ( -1.137 -0.273 -0.134) 1.177 4.036 ( 3.403 5.396 -1.010) 6.459 4.065 ( 2.359 4.700 1.367) 5.433 4.193 ( -1.919 3.774 -2.853) 5.105 4.204 ( -3.840 3.621 -4.458) 6.909 4.260 ( 0.638 -0.201 -4.536) 4.585 4.313 ( -0.925 -0.951 -2.158) 2.533 4.596 ( 5.214 -5.572 -7.636) 10.796 4.779 ( -2.960 -11.163 -8.129) 14.122 13.824 ( 0.083 0.747 0.443) 0.872 13.826 ( -0.034 0.771 0.363) 0.853 13.836 ( 0.095 1.151 0.341) 1.205 13.844 ( -0.234 1.428 0.115) 1.452 13.967 ( 0.295 -0.380 0.682) 0.834 13.986 ( -0.626 -0.459 0.164) 0.793 14.012 ( 0.428 -0.550 0.142) 0.711 14.020 ( 0.043 -0.559 0.133) 0.576 17.730 ( 0.131 -0.567 0.457) 0.740 17.736 ( -0.108 -0.759 -0.122) 0.776 17.749 ( 0.389 -1.089 -0.960) 1.503 17.767 ( -0.353 -1.652 -0.778) 1.860 27.170 ( 0.243 -2.842 0.635) 2.922 27.195 ( -0.733 -1.508 -0.278) 1.700 27.231 ( 1.002 -1.636 -0.941) 2.137 27.268 ( -0.584 -1.314 -1.676) 2.209 27.719 ( 1.793 9.987 3.669) 10.790 27.811 ( -1.740 4.937 3.584) 6.344 27.897 ( 0.729 8.605 -1.058) 8.701 27.998 ( 1.397 10.915 -4.754) 11.987 28.076 ( -2.392 4.711 0.245) 5.290 28.144 ( -1.152 8.216 -4.012) 9.215 28.926 ( 6.025 -9.375 5.762) 12.545 29.177 ( -4.789 -10.004 -3.279) 11.566 ======================= Grid point 192 (69/90) ======================= q-point: (-0.50 0.22 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -2.083 3.260 2.187) 4.444 1.304 ( 2.083 3.260 2.187) 4.444 1.425 ( -2.351 2.041 2.377) 3.918 1.425 ( 2.351 2.041 2.377) 3.918 1.666 ( -6.299 0.344 10.706) 12.427 1.666 ( 6.299 0.344 10.706) 12.427 1.947 ( -4.681 -4.814 -0.624) 6.744 1.947 ( 4.681 -4.814 -0.624) 6.744 2.199 ( -4.436 0.664 -0.961) 4.587 2.199 ( 4.436 0.664 -0.961) 4.587 2.336 ( -5.530 -2.734 5.067) 7.983 2.336 ( 5.530 -2.734 5.067) 7.983 2.576 ( -3.045 -3.191 0.466) 4.435 2.576 ( 3.045 -3.191 0.466) 4.435 2.757 ( -4.394 5.796 6.136) 9.516 2.757 ( 4.394 5.796 6.136) 9.516 2.879 ( -4.687 -2.418 -6.381) 8.279 2.879 ( 4.687 -2.418 -6.381) 8.279 3.126 ( -2.646 6.466 4.829) 8.493 3.126 ( 2.646 6.466 4.829) 8.493 3.338 ( -4.027 6.681 -2.907) 8.325 3.338 ( 4.027 6.681 -2.907) 8.325 3.577 ( -5.013 0.531 0.753) 5.097 3.577 ( 5.013 0.531 0.753) 5.097 3.684 ( -4.854 -3.366 0.652) 5.943 3.684 ( 4.854 -3.366 0.652) 5.943 3.842 ( -2.002 -1.027 1.399) 2.649 3.842 ( 2.002 -1.027 1.399) 2.649 4.092 ( -2.072 5.755 0.738) 6.161 4.092 ( 2.072 5.755 0.738) 6.161 4.158 ( -1.573 4.078 -3.918) 5.870 4.158 ( 1.573 4.078 -3.918) 5.870 4.283 ( -1.694 -0.884 -3.094) 3.636 4.283 ( 1.694 -0.884 -3.094) 3.636 4.700 ( -5.284 -8.347 -8.181) 12.827 4.700 ( 5.284 -8.347 -8.181) 12.827 13.825 ( -0.087 0.757 0.438) 0.879 13.825 ( 0.087 0.757 0.438) 0.879 13.839 ( -0.244 1.278 0.208) 1.318 13.839 ( 0.244 1.278 0.208) 1.318 13.975 ( -0.550 -0.421 0.496) 0.852 13.975 ( 0.550 -0.421 0.496) 0.852 14.018 ( -0.224 -0.557 0.036) 0.601 14.018 ( 0.224 -0.557 0.036) 0.601 17.733 ( -0.193 -0.662 0.174) 0.711 17.733 ( 0.193 -0.662 0.174) 0.711 17.759 ( -0.526 -1.381 -0.893) 1.727 17.759 ( 0.526 -1.381 -0.893) 1.727 27.180 ( -0.769 -2.046 0.241) 2.200 27.180 ( 0.769 -2.046 0.241) 2.200 27.252 ( -1.057 -1.546 -1.354) 2.311 27.252 ( 1.057 -1.546 -1.354) 2.311 27.763 ( -2.790 8.561 2.864) 9.449 27.763 ( 2.790 8.561 2.864) 9.449 27.949 ( -4.105 7.287 -0.562) 8.383 27.949 ( 4.105 7.287 -0.562) 8.383 28.102 ( -2.942 7.579 -2.877) 8.624 28.102 ( 2.942 7.579 -2.877) 8.624 29.059 ( -7.372 -9.474 0.724) 12.026 29.059 ( 7.372 -9.474 0.724) 12.026 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( 0.000 2.683 6.645) 7.166 1.289 ( 0.000 -0.803 6.538) 6.587 1.532 ( 0.000 3.870 2.007) 4.360 1.549 ( 0.000 3.929 -2.707) 4.771 1.607 ( 0.000 5.324 -1.998) 5.687 1.743 ( 0.000 0.004 -0.878) 0.878 1.861 ( 0.000 3.046 5.334) 6.142 1.965 ( 0.000 -0.613 -0.019) 0.613 2.060 ( 0.000 -2.531 0.571) 2.594 2.096 ( 0.000 -4.796 1.252) 4.957 2.381 ( 0.000 -3.013 1.612) 3.417 2.404 ( 0.000 -0.672 -0.178) 0.695 2.519 ( 0.000 -1.044 -0.635) 1.222 2.614 ( 0.000 -4.115 -2.050) 4.598 2.757 ( 0.000 1.450 0.823) 1.667 2.789 ( 0.000 0.695 -1.769) 1.900 2.912 ( 0.000 -2.443 -0.238) 2.454 2.977 ( 0.000 0.700 -0.803) 1.066 3.134 ( 0.000 -4.101 -4.488) 6.079 3.228 ( 0.000 2.244 -1.665) 2.795 3.275 ( 0.000 -0.066 2.115) 2.116 3.342 ( 0.000 3.405 1.648) 3.783 3.565 ( 0.000 4.711 -0.453) 4.733 3.639 ( 0.000 4.449 0.350) 4.463 3.718 ( 0.000 0.868 -1.400) 1.647 3.751 ( 0.000 -0.123 1.491) 1.496 3.804 ( 0.000 -1.686 3.673) 4.042 3.876 ( 0.000 -0.198 -1.296) 1.311 4.096 ( 0.000 4.988 -0.213) 4.993 4.130 ( 0.000 3.582 1.070) 3.738 4.260 ( 0.000 1.706 -1.455) 2.243 4.268 ( 0.000 2.250 -2.225) 3.164 4.307 ( 0.000 1.994 -6.843) 7.128 4.332 ( 0.000 1.354 -1.196) 1.807 4.461 ( 0.000 -3.167 -4.914) 5.846 4.593 ( 0.000 -8.630 -4.264) 9.626 13.845 ( 0.000 1.500 0.536) 1.593 13.850 ( 0.000 1.519 0.390) 1.568 13.860 ( 0.000 1.372 0.622) 1.506 13.874 ( 0.000 1.230 0.142) 1.239 13.957 ( 0.000 -0.270 0.867) 0.908 13.981 ( 0.000 -0.885 0.037) 0.885 13.990 ( 0.000 -1.125 0.556) 1.254 14.001 ( 0.000 -1.236 0.336) 1.281 17.719 ( 0.000 -0.419 0.333) 0.535 17.722 ( 0.000 -0.609 -0.442) 0.752 17.728 ( 0.000 -0.763 -0.596) 0.968 17.740 ( 0.000 -1.296 -0.385) 1.352 27.130 ( 0.000 -0.748 0.671) 1.004 27.185 ( 0.000 -0.813 -0.528) 0.970 27.191 ( 0.000 -0.995 -0.990) 1.404 27.246 ( 0.000 -1.468 -1.724) 2.264 27.880 ( 0.000 3.645 5.886) 6.924 27.890 ( 0.000 8.189 7.056) 10.809 28.088 ( 0.000 3.958 -0.379) 3.976 28.118 ( 0.000 8.521 -1.613) 8.672 28.245 ( 0.000 6.449 -6.404) 9.089 28.351 ( 0.000 11.007 -6.606) 12.838 28.659 ( 0.000 -10.598 5.212) 11.811 29.008 ( 0.000 -11.133 -6.532) 12.907 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.25 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 2.864 1.737 4.155) 5.337 1.328 ( 3.173 1.705 6.403) 7.347 1.511 ( 0.513 5.076 -0.607) 5.138 1.589 ( -1.590 5.731 -0.583) 5.976 1.599 ( 2.077 3.221 4.414) 5.845 1.743 ( -0.104 -2.092 0.059) 2.096 1.845 ( -0.766 2.071 3.064) 3.777 1.940 ( -3.077 -2.002 -2.888) 4.671 2.089 ( 3.861 -2.730 -2.576) 5.385 2.140 ( 4.265 -3.068 4.682) 7.037 2.321 ( -4.702 -0.759 3.672) 6.014 2.424 ( -0.590 1.612 -1.377) 2.200 2.464 ( -4.426 -6.032 0.848) 7.530 2.626 ( -1.396 -0.108 -1.695) 2.199 2.697 ( -0.262 -4.987 -2.476) 5.574 2.821 ( 2.421 4.959 2.612) 6.105 2.896 ( -2.758 -2.859 -3.525) 5.310 2.943 ( -3.602 2.035 -1.917) 4.560 3.146 ( 1.484 -3.819 -4.253) 5.906 3.217 ( -1.541 -1.373 -4.900) 5.317 3.319 ( 5.741 4.415 6.555) 9.768 3.409 ( 5.086 1.937 1.575) 5.666 3.567 ( -0.323 4.310 -0.195) 4.327 3.648 ( 0.072 1.642 -0.579) 1.743 3.671 ( -4.001 2.357 0.808) 4.714 3.729 ( -2.778 -0.231 0.392) 2.815 3.792 ( 1.003 -0.695 1.979) 2.325 3.859 ( -2.075 -1.185 0.148) 2.394 4.132 ( 3.677 4.078 -0.879) 5.561 4.167 ( 3.085 5.027 0.421) 5.913 4.255 ( -1.463 3.261 -2.586) 4.411 4.263 ( 0.217 1.262 -2.676) 2.967 4.278 ( -2.211 2.299 -4.004) 5.119 4.313 ( -1.764 1.007 -1.170) 2.345 4.498 ( 3.086 -4.223 -5.214) 7.386 4.585 ( -1.016 -8.028 -4.516) 9.267 13.846 ( 0.080 1.490 0.542) 1.588 13.849 ( -0.029 1.536 0.462) 1.604 13.861 ( 0.126 1.334 0.507) 1.432 13.871 ( -0.277 1.279 0.186) 1.322 13.959 ( 0.192 -0.375 0.816) 0.918 13.975 ( -0.509 -0.714 0.361) 0.948 13.995 ( 0.377 -1.228 0.341) 1.329 14.002 ( 0.049 -1.234 0.260) 1.262 17.720 ( 0.060 -0.445 0.154) 0.475 17.722 ( -0.033 -0.578 -0.175) 0.605 17.730 ( 0.170 -0.852 -0.657) 1.089 17.738 ( -0.167 -1.226 -0.427) 1.309 27.137 ( 0.785 -0.582 0.442) 1.073 27.178 ( -0.911 -0.205 -0.754) 1.200 27.199 ( 0.948 -1.636 -0.707) 2.019 27.239 ( -0.726 -1.521 -1.574) 2.305 27.885 ( 0.758 5.355 5.761) 7.902 27.905 ( 0.995 6.705 6.908) 9.678 28.046 ( -1.313 4.816 0.016) 4.992 28.156 ( -2.536 3.385 1.752) 4.578 28.209 ( 1.572 10.024 -7.402) 12.559 28.337 ( -1.919 10.616 -7.112) 12.921 28.729 ( 6.430 -10.078 2.204) 12.156 28.967 ( -4.211 -10.816 -5.390) 12.797 ======================= Grid point 197 (72/90) ======================= q-point: (-0.50 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -2.823 2.673 3.420) 5.178 1.332 ( 2.823 2.673 3.420) 5.178 1.548 ( -2.752 5.692 -0.575) 6.349 1.548 ( 2.752 5.692 -0.575) 6.349 1.675 ( -6.095 1.062 8.769) 10.732 1.675 ( 6.095 1.062 8.769) 10.732 1.875 ( -3.242 -2.510 -4.771) 6.291 1.875 ( 3.242 -2.510 -4.771) 6.291 2.187 ( -4.343 -1.256 -0.092) 4.522 2.187 ( 4.343 -1.256 -0.092) 4.522 2.287 ( -6.721 -2.375 2.941) 7.711 2.287 ( 6.721 -2.375 2.941) 7.711 2.523 ( -6.153 -1.026 0.909) 6.303 2.523 ( 6.153 -1.026 0.909) 6.303 2.794 ( -6.847 -4.491 -5.028) 9.608 2.794 ( 6.847 -4.491 -5.028) 9.608 2.878 ( -3.138 4.516 0.461) 5.518 2.878 ( 3.138 4.516 0.461) 5.518 3.181 ( -2.056 -2.118 -4.315) 5.228 3.181 ( 2.056 -2.118 -4.315) 5.228 3.440 ( -4.596 4.287 4.366) 7.653 3.440 ( 4.596 4.287 4.366) 7.653 3.569 ( -3.087 -0.199 0.654) 3.162 3.569 ( 3.087 -0.199 0.654) 3.162 3.685 ( -1.983 2.357 -1.026) 3.246 3.685 ( 1.983 2.357 -1.026) 3.246 3.820 ( -1.781 -1.302 1.241) 2.531 3.820 ( 1.781 -1.302 1.241) 2.531 4.204 ( -3.182 4.373 -2.237) 5.853 4.204 ( 3.182 4.373 -2.237) 5.853 4.228 ( -2.636 4.164 -1.603) 5.182 4.228 ( 2.636 4.164 -1.603) 5.182 4.281 ( -1.356 0.412 -1.637) 2.165 4.281 ( 1.356 0.412 -1.637) 2.165 4.553 ( -2.431 -6.337 -5.013) 8.438 4.553 ( 2.431 -6.337 -5.013) 8.438 13.848 ( -0.106 1.504 0.542) 1.602 13.848 ( 0.106 1.504 0.542) 1.602 13.865 ( -0.335 1.321 0.311) 1.398 13.865 ( 0.335 1.321 0.311) 1.398 13.965 ( -0.449 -0.540 0.644) 0.953 13.965 ( 0.449 -0.540 0.644) 0.953 14.001 ( -0.221 -1.251 0.236) 1.292 14.001 ( 0.221 -1.251 0.236) 1.292 17.721 ( -0.095 -0.509 -0.012) 0.518 17.721 ( 0.095 -0.509 -0.012) 0.518 17.734 ( -0.249 -1.048 -0.547) 1.208 17.734 ( 0.249 -1.048 -0.547) 1.208 27.157 ( -1.236 -0.312 -0.148) 1.283 27.157 ( 1.236 -0.312 -0.148) 1.283 27.221 ( -1.191 -1.621 -1.159) 2.322 27.221 ( 1.191 -1.621 -1.159) 2.322 27.905 ( -1.012 6.181 5.877) 8.589 27.905 ( 1.012 6.181 5.877) 8.589 28.071 ( -3.903 3.940 1.327) 5.702 28.071 ( 3.903 3.940 1.327) 5.702 28.280 ( -3.936 10.052 -6.529) 12.616 28.280 ( 3.936 10.052 -6.529) 12.616 28.860 ( -6.904 -10.185 -2.247) 12.508 28.860 ( 6.904 -10.185 -2.247) 12.508 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.000 1.916 1.085) 2.202 1.296 ( 0.000 0.998 1.927) 2.170 1.549 ( 0.000 0.496 -4.154) 4.183 1.572 ( 0.000 -1.280 -3.355) 3.591 1.754 ( 0.000 5.461 6.776) 8.703 1.768 ( 0.000 2.464 6.526) 6.976 1.914 ( 0.000 1.470 1.522) 2.116 1.953 ( 0.000 -2.673 1.895) 3.276 2.024 ( 0.000 -0.207 -5.811) 5.814 2.033 ( 0.000 -0.363 -3.355) 3.375 2.338 ( 0.000 -1.238 -0.786) 1.467 2.352 ( 0.000 -2.912 2.746) 4.002 2.523 ( 0.000 0.584 -5.475) 5.506 2.540 ( 0.000 -2.286 -1.891) 2.967 2.759 ( 0.000 -0.672 0.087) 0.678 2.774 ( 0.000 -1.702 -0.652) 1.823 2.922 ( 0.000 3.960 0.259) 3.968 3.023 ( 0.000 -1.833 -1.703) 2.503 3.041 ( 0.000 0.659 -5.605) 5.643 3.145 ( 0.000 -5.777 -6.609) 8.778 3.350 ( 0.000 2.966 2.190) 3.686 3.376 ( 0.000 0.148 -0.141) 0.204 3.635 ( 0.000 2.310 -0.027) 2.310 3.661 ( 0.000 -0.630 -0.398) 0.745 3.747 ( 0.000 0.518 -1.658) 1.737 3.748 ( 0.000 -0.036 -1.140) 1.141 3.815 ( 0.000 2.372 3.995) 4.646 3.856 ( 0.000 -1.629 1.300) 2.084 4.163 ( 0.000 1.825 0.627) 1.930 4.174 ( 0.000 0.777 0.843) 1.147 4.305 ( 0.000 2.171 -4.323) 4.837 4.319 ( 0.000 1.853 -0.782) 2.011 4.331 ( 0.000 1.115 -5.245) 5.362 4.355 ( 0.000 0.644 1.416) 1.556 4.418 ( 0.000 -0.625 -3.500) 3.555 4.466 ( 0.000 -4.612 -1.912) 4.992 13.875 ( 0.000 1.267 0.505) 1.364 13.881 ( 0.000 1.358 0.372) 1.409 13.886 ( 0.000 1.009 0.530) 1.140 13.889 ( 0.000 0.088 0.308) 0.320 13.957 ( 0.000 0.176 0.905) 0.922 13.961 ( 0.000 -0.922 0.568) 1.083 13.965 ( 0.000 -0.926 0.562) 1.084 13.975 ( 0.000 -1.180 0.421) 1.253 17.714 ( 0.000 -0.116 -0.052) 0.128 17.714 ( 0.000 -0.212 -0.357) 0.415 17.718 ( 0.000 -0.230 -0.377) 0.442 17.721 ( 0.000 -0.562 -0.243) 0.612 27.132 ( 0.000 0.843 0.282) 0.889 27.157 ( 0.000 -1.506 -0.103) 1.509 27.195 ( 0.000 0.802 -1.434) 1.643 27.217 ( 0.000 -1.360 -1.613) 2.110 27.954 ( 0.000 3.477 6.143) 7.059 27.990 ( 0.000 1.011 6.737) 6.812 28.166 ( 0.000 5.002 6.279) 8.028 28.223 ( 0.000 1.326 3.583) 3.820 28.350 ( 0.000 4.058 -8.551) 9.465 28.450 ( 0.000 -6.832 -1.262) 6.948 28.585 ( 0.000 9.734 -9.141) 13.353 28.792 ( 0.000 -10.686 -8.543) 13.681 ======================= Grid point 201 (74/90) ======================= q-point: ( 0.25 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 4.416 3.687 0.527) 5.777 1.369 ( 6.315 0.814 1.913) 6.648 1.560 ( -1.206 0.991 -0.779) 1.744 1.589 ( 1.401 -1.417 -5.513) 5.862 1.722 ( -2.955 3.084 5.903) 7.286 1.744 ( 0.375 2.275 4.572) 5.120 1.875 ( -3.345 0.450 2.861) 4.425 1.891 ( -4.690 -2.588 -2.056) 5.738 2.074 ( 4.897 1.456 -3.448) 6.163 2.104 ( 5.308 -1.050 0.935) 5.491 2.314 ( -3.723 0.361 1.222) 3.936 2.352 ( -2.943 -3.973 1.182) 5.083 2.479 ( -0.938 3.138 -3.378) 4.704 2.559 ( 3.835 -5.164 -3.950) 7.548 2.685 ( -5.807 3.179 -0.623) 6.650 2.784 ( -3.207 -6.219 -4.163) 8.142 2.925 ( 1.654 5.204 0.094) 5.461 3.019 ( -1.561 4.767 -3.664) 6.211 3.038 ( 1.510 -5.853 -3.228) 6.852 3.128 ( -1.668 -5.732 -6.017) 8.476 3.404 ( 5.343 3.054 2.587) 6.676 3.433 ( 5.247 0.028 0.273) 5.254 3.620 ( -2.038 1.205 0.273) 2.383 3.635 ( -3.374 -0.620 0.099) 3.432 3.739 ( -0.197 1.703 -1.179) 2.081 3.758 ( -0.237 1.469 -0.362) 1.531 3.782 ( -1.399 0.932 2.548) 3.052 3.826 ( -2.507 -2.050 1.528) 3.581 4.194 ( 3.007 2.158 -0.263) 3.711 4.217 ( 3.462 0.013 -0.300) 3.475 4.296 ( -1.480 1.257 -3.992) 4.440 4.308 ( -1.091 0.224 -2.853) 3.062 4.328 ( 0.409 4.329 -1.034) 4.469 4.356 ( -0.409 3.096 0.202) 3.130 4.426 ( 0.831 -2.927 -3.292) 4.482 4.460 ( -0.619 -4.877 -1.964) 5.294 13.876 ( 0.088 1.273 0.500) 1.371 13.881 ( -0.076 1.328 0.387) 1.386 13.884 ( -0.025 0.799 0.478) 0.931 13.888 ( -0.067 0.291 0.310) 0.431 13.955 ( -0.003 0.076 0.852) 0.856 13.961 ( -0.170 -0.290 0.549) 0.644 13.967 ( 0.292 -1.304 0.657) 1.489 13.975 ( -0.047 -1.309 0.433) 1.380 17.714 ( 0.041 -0.102 -0.161) 0.195 17.715 ( 0.045 -0.171 -0.201) 0.268 17.718 ( 0.002 -0.311 -0.409) 0.514 17.720 ( -0.073 -0.541 -0.262) 0.605 27.142 ( 0.949 0.887 0.036) 1.300 27.167 ( 0.971 -1.501 -0.338) 1.819 27.186 ( -0.912 0.834 -1.183) 1.711 27.209 ( -0.824 -1.415 -1.412) 2.162 27.972 ( 1.805 3.810 6.104) 7.418 28.009 ( 1.941 1.471 6.856) 7.275 28.109 ( -3.986 3.592 4.536) 7.026 28.178 ( -4.862 -1.732 4.884) 7.106 28.387 ( 4.480 7.984 -7.294) 11.705 28.528 ( 3.913 -0.714 -4.739) 6.187 28.566 ( 0.007 3.015 -7.243) 7.845 28.758 ( -3.547 -10.343 -7.786) 13.423 ======================= Grid point 202 (75/90) ======================= q-point: (-0.50 0.44 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( -4.092 6.382 0.172) 7.583 1.428 ( 4.092 6.382 0.172) 7.583 1.547 ( -4.394 -4.602 0.073) 6.363 1.547 ( 4.394 -4.602 0.073) 6.363 1.747 ( -3.643 4.806 3.602) 7.024 1.747 ( 3.643 4.806 3.602) 7.024 1.825 ( -1.758 -3.062 -0.964) 3.660 1.825 ( 1.758 -3.062 -0.964) 3.660 2.187 ( -4.051 1.550 0.253) 4.345 2.187 ( 4.051 1.550 0.253) 4.345 2.235 ( -4.119 -2.836 1.185) 5.139 2.235 ( 4.119 -2.836 1.185) 5.139 2.556 ( -6.946 4.263 -1.791) 8.344 2.556 ( 6.946 4.263 -1.791) 8.344 2.674 ( -7.179 -6.869 -5.159) 11.196 2.674 ( 7.179 -6.869 -5.159) 11.196 2.974 ( -2.913 5.176 -2.071) 6.290 2.974 ( 2.913 5.176 -2.071) 6.290 3.086 ( -2.784 -5.942 -4.510) 7.962 3.086 ( 2.784 -5.942 -4.510) 7.962 3.514 ( -3.001 3.013 2.390) 4.878 3.514 ( 3.001 3.013 2.390) 4.878 3.558 ( -1.655 -1.367 0.248) 2.161 3.558 ( 1.655 -1.367 0.248) 2.161 3.742 ( -0.561 2.934 -0.053) 2.988 3.742 ( 0.561 2.934 -0.053) 2.988 3.789 ( -1.252 -1.853 0.913) 2.415 3.789 ( 1.252 -1.853 0.913) 2.415 4.252 ( -2.726 1.721 -2.253) 3.933 4.252 ( 2.726 1.721 -2.253) 3.933 4.277 ( -2.351 -0.674 -1.897) 3.095 4.277 ( 2.351 -0.674 -1.897) 3.095 4.341 ( -0.905 5.622 -0.364) 5.706 4.341 ( 0.905 5.622 -0.364) 5.706 4.445 ( -1.001 -4.979 -2.446) 5.637 4.445 ( 1.001 -4.979 -2.446) 5.637 13.878 ( -0.159 1.274 0.478) 1.370 13.878 ( 0.159 1.274 0.478) 1.370 13.886 ( -0.155 0.560 0.342) 0.674 13.886 ( 0.155 0.560 0.342) 0.674 13.957 ( -0.201 -0.013 0.739) 0.766 13.957 ( 0.201 -0.013 0.739) 0.766 13.972 ( -0.238 -1.391 0.522) 1.505 13.972 ( 0.238 -1.391 0.522) 1.505 17.715 ( -0.049 -0.085 -0.181) 0.206 17.715 ( 0.049 -0.085 -0.181) 0.206 17.719 ( -0.094 -0.479 -0.338) 0.594 17.719 ( 0.094 -0.479 -0.338) 0.594 27.164 ( -1.320 0.925 -0.561) 1.706 27.164 ( 1.320 0.925 -0.561) 1.706 27.189 ( -1.267 -1.509 -0.902) 2.167 27.189 ( 1.267 -1.509 -0.902) 2.167 28.017 ( -2.537 5.061 6.465) 8.593 28.017 ( 2.537 5.061 6.465) 8.593 28.090 ( -3.520 -1.827 4.643) 6.106 28.090 ( 3.520 -1.827 4.643) 6.106 28.479 ( -4.737 9.745 -7.590) 13.229 28.479 ( 4.737 9.745 -7.590) 13.229 28.666 ( -6.048 -9.440 -5.823) 12.633 28.666 ( 6.048 -9.440 -5.823) 12.633 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 0.000 0.000 0.187) 0.187 1.054 ( 0.000 0.000 -6.113) 6.113 1.605 ( 0.000 0.000 13.864) 13.864 1.734 ( 0.000 0.000 5.418) 5.418 1.797 ( 0.000 0.000 -1.283) 1.283 1.831 ( 0.000 0.000 -9.469) 9.469 1.948 ( 0.000 0.000 8.058) 8.058 2.119 ( 0.000 0.000 -8.958) 8.958 2.234 ( 0.000 0.000 14.017) 14.017 2.424 ( 0.000 0.000 1.102) 1.102 2.464 ( 0.000 0.000 3.007) 3.007 2.471 ( 0.000 0.000 -1.988) 1.988 2.591 ( 0.000 0.000 8.000) 8.000 2.670 ( 0.000 0.000 1.209) 1.209 2.734 ( 0.000 0.000 -1.797) 1.797 2.749 ( 0.000 0.000 7.030) 7.030 2.806 ( 0.000 0.000 -7.338) 7.338 2.865 ( 0.000 0.000 -6.225) 6.225 2.952 ( 0.000 0.000 -0.563) 0.563 2.992 ( 0.000 0.000 -4.140) 4.140 3.152 ( 0.000 0.000 5.974) 5.974 3.197 ( 0.000 0.000 1.659) 1.659 3.564 ( 0.000 0.000 1.733) 1.733 3.589 ( 0.000 0.000 0.547) 0.547 3.830 ( 0.000 0.000 9.338) 9.338 3.857 ( 0.000 0.000 1.472) 1.472 3.865 ( 0.000 0.000 0.935) 0.935 3.896 ( 0.000 0.000 -2.058) 2.058 3.898 ( 0.000 0.000 -2.564) 2.564 3.960 ( 0.000 0.000 11.740) 11.740 4.003 ( 0.000 0.000 -3.674) 3.674 4.141 ( 0.000 0.000 -5.569) 5.569 4.170 ( 0.000 0.000 -4.411) 4.411 4.244 ( 0.000 0.000 -7.345) 7.345 4.625 ( 0.000 0.000 7.119) 7.119 4.860 ( 0.000 0.000 -14.380) 14.380 13.810 ( 0.000 0.000 0.051) 0.051 13.810 ( 0.000 0.000 0.021) 0.021 13.818 ( 0.000 0.000 0.051) 0.051 13.818 ( 0.000 0.000 0.020) 0.020 13.981 ( 0.000 0.000 0.399) 0.399 13.991 ( 0.000 0.000 -0.544) 0.544 14.023 ( 0.000 0.000 0.366) 0.366 14.027 ( 0.000 0.000 -0.072) 0.072 17.748 ( 0.000 0.000 -0.277) 0.277 17.750 ( 0.000 0.000 -0.378) 0.378 17.768 ( 0.000 0.000 1.069) 1.069 17.791 ( 0.000 0.000 -1.279) 1.279 27.250 ( 0.000 0.000 0.186) 0.186 27.265 ( 0.000 0.000 -1.349) 1.349 27.274 ( 0.000 0.000 1.327) 1.327 27.311 ( 0.000 0.000 -2.356) 2.356 27.480 ( 0.000 0.000 3.989) 3.989 27.560 ( 0.000 0.000 -4.078) 4.078 27.660 ( 0.000 0.000 3.916) 3.916 27.738 ( 0.000 0.000 -4.045) 4.045 27.955 ( 0.000 0.000 4.514) 4.514 28.026 ( 0.000 0.000 -2.723) 2.723 29.252 ( 0.000 0.000 7.527) 7.527 29.374 ( 0.000 0.000 -5.113) 5.113 ======================= Grid point 226 (77/90) ======================= q-point: ( 0.25 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 1.048 0.000 -0.714) 1.268 1.046 ( -0.822 0.000 -5.170) 5.235 1.669 ( 6.208 0.000 12.888) 14.305 1.740 ( 0.604 0.000 4.672) 4.711 1.783 ( -1.295 0.000 0.092) 1.298 1.848 ( 0.312 0.000 -1.591) 1.621 1.961 ( 2.054 0.000 1.362) 2.464 2.096 ( -2.502 0.000 -8.079) 8.458 2.261 ( 2.735 0.000 12.436) 12.734 2.401 ( -3.460 0.000 7.398) 8.167 2.442 ( 0.509 0.000 -3.806) 3.840 2.481 ( -0.424 0.000 -1.028) 1.112 2.590 ( 0.230 0.000 6.641) 6.645 2.667 ( 0.057 0.000 1.921) 1.922 2.724 ( -2.199 0.000 3.490) 4.125 2.756 ( 2.071 0.000 -1.984) 2.868 2.772 ( -7.852 0.000 -3.891) 8.763 2.809 ( 0.052 0.000 -5.986) 5.986 2.951 ( 0.045 0.000 -1.399) 1.400 2.982 ( -1.003 0.000 -4.038) 4.161 3.156 ( 1.588 0.000 9.169) 9.306 3.240 ( 1.405 0.000 1.291) 1.908 3.531 ( -1.173 0.000 3.899) 4.072 3.597 ( -0.663 0.000 -2.032) 2.138 3.848 ( 2.683 0.000 6.604) 7.128 3.854 ( -0.059 0.000 1.200) 1.201 3.865 ( -0.251 0.000 0.852) 0.888 3.894 ( 0.193 0.000 -2.063) 2.072 3.903 ( 0.115 0.000 -2.201) 2.204 3.973 ( -1.251 0.000 -2.413) 2.718 4.002 ( 1.027 0.000 5.093) 5.196 4.064 ( -4.464 0.000 -4.610) 6.417 4.221 ( 5.752 0.000 2.400) 6.232 4.352 ( 5.635 0.000 -3.675) 6.727 4.609 ( -0.388 0.000 1.791) 1.832 4.807 ( -5.356 0.000 -13.923) 14.918 13.810 ( 0.005 0.000 0.047) 0.047 13.810 ( -0.003 0.000 0.026) 0.026 13.818 ( 0.003 0.000 0.046) 0.046 13.818 ( -0.006 0.000 0.024) 0.025 13.983 ( 0.165 0.000 0.311) 0.352 13.990 ( -0.095 0.000 -0.366) 0.378 14.023 ( 0.057 0.000 0.266) 0.272 14.027 ( -0.064 0.000 -0.084) 0.106 17.749 ( 0.213 0.000 0.031) 0.215 17.756 ( 0.388 0.000 -0.732) 0.829 17.766 ( -0.051 0.000 0.940) 0.942 17.786 ( -0.517 0.000 -1.119) 1.232 27.252 ( 0.154 0.000 0.109) 0.189 27.261 ( -0.307 0.000 -0.452) 0.547 27.282 ( 0.627 0.000 0.155) 0.646 27.306 ( -0.479 0.000 -1.930) 1.989 27.489 ( 0.878 0.000 3.384) 3.497 27.542 ( -1.553 0.000 -1.485) 2.148 27.677 ( 1.537 0.000 1.338) 2.038 27.730 ( -0.862 0.000 -3.456) 3.562 27.967 ( 1.140 0.000 3.543) 3.722 28.017 ( -0.968 0.000 -1.565) 1.840 29.269 ( 1.706 0.000 5.556) 5.812 29.355 ( -1.910 0.000 -3.375) 3.878 ======================= Grid point 227 (78/90) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -1.325 0.000 -2.921) 3.207 1.025 ( 1.325 0.000 -2.921) 3.207 1.757 ( -1.284 0.000 2.657) 2.951 1.757 ( 1.284 0.000 2.657) 2.951 1.794 ( -5.855 0.000 9.427) 11.097 1.794 ( 5.855 0.000 9.427) 11.097 2.029 ( -4.332 0.000 -6.303) 7.648 2.029 ( 4.332 0.000 -6.303) 7.648 2.326 ( -4.034 0.000 9.461) 10.285 2.326 ( 4.034 0.000 9.461) 10.285 2.462 ( -1.302 0.000 -2.448) 2.773 2.462 ( 1.302 0.000 -2.448) 2.773 2.633 ( -4.934 0.000 0.118) 4.935 2.633 ( 4.934 0.000 0.118) 4.935 2.688 ( -1.403 0.000 2.954) 3.270 2.688 ( 1.403 0.000 2.954) 3.270 2.795 ( -1.649 0.000 -3.291) 3.681 2.795 ( 1.649 0.000 -3.291) 3.681 2.961 ( -1.033 0.000 -3.241) 3.402 2.961 ( 1.033 0.000 -3.241) 3.402 3.210 ( -3.489 0.000 7.421) 8.201 3.210 ( 3.489 0.000 7.421) 8.201 3.556 ( -2.933 0.000 -0.582) 2.990 3.556 ( 2.933 0.000 -0.582) 2.990 3.858 ( -0.381 0.000 0.842) 0.924 3.858 ( 0.381 0.000 0.842) 0.924 3.901 ( -0.322 0.000 -1.946) 1.973 3.901 ( 0.322 0.000 -1.946) 1.973 3.921 ( -4.165 0.000 2.057) 4.645 3.921 ( 4.165 0.000 2.057) 4.645 4.014 ( -0.905 0.000 -2.131) 2.315 4.014 ( 0.905 0.000 -2.131) 2.315 4.344 ( -5.720 0.000 6.596) 8.731 4.344 ( 5.720 0.000 6.596) 8.731 4.680 ( -7.200 0.000 -11.345) 13.437 4.680 ( 7.200 0.000 -11.345) 13.437 13.810 ( -0.006 0.000 0.038) 0.038 13.810 ( 0.006 0.000 0.038) 0.038 13.818 ( -0.007 0.000 0.034) 0.035 13.818 ( 0.007 0.000 0.034) 0.035 13.987 ( -0.202 0.000 0.026) 0.204 13.987 ( 0.202 0.000 0.026) 0.204 14.025 ( -0.122 0.000 0.027) 0.125 14.025 ( 0.122 0.000 0.027) 0.125 17.755 ( -0.346 0.000 0.119) 0.366 17.755 ( 0.346 0.000 0.119) 0.366 17.774 ( -0.711 0.000 -0.567) 0.909 17.774 ( 0.711 0.000 -0.567) 0.909 27.256 ( -0.253 0.000 -0.081) 0.266 27.256 ( 0.253 0.000 -0.081) 0.266 27.295 ( -0.711 0.000 -0.941) 1.179 27.295 ( 0.711 0.000 -0.941) 1.179 27.512 ( -1.526 0.000 1.566) 2.187 27.512 ( 1.526 0.000 1.566) 2.187 27.707 ( -1.504 0.000 -1.676) 2.252 27.707 ( 1.504 0.000 -1.676) 2.252 27.993 ( -1.497 0.000 1.084) 1.849 27.993 ( 1.497 0.000 1.084) 1.849 29.311 ( -2.563 0.000 0.973) 2.742 29.311 ( 2.563 0.000 0.973) 2.742 ======================= Grid point 230 (79/90) ======================= q-point: ( 0.00 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 0.000 8.358 0.250) 8.362 1.130 ( 0.000 7.276 -4.763) 8.696 1.559 ( 0.000 -4.587 11.127) 12.036 1.650 ( 0.000 -7.141 3.194) 7.823 1.766 ( 0.000 -2.424 -0.685) 2.519 1.801 ( 0.000 -3.506 -5.093) 6.183 1.944 ( 0.000 -0.419 7.360) 7.372 2.095 ( 0.000 -2.568 -6.177) 6.690 2.198 ( 0.000 -2.725 10.536) 10.883 2.366 ( 0.000 -7.598 1.362) 7.719 2.420 ( 0.000 -2.324 1.740) 2.903 2.431 ( 0.000 -0.091 -3.642) 3.643 2.638 ( 0.000 2.172 7.599) 7.903 2.715 ( 0.000 0.489 0.721) 0.871 2.738 ( 0.000 1.402 0.491) 1.486 2.794 ( 0.000 1.112 1.396) 1.784 2.828 ( 0.000 3.935 -1.780) 4.319 2.895 ( 0.000 3.087 -3.637) 4.771 2.994 ( 0.000 3.863 -3.218) 5.028 3.014 ( 0.000 3.195 -3.635) 4.840 3.218 ( 0.000 5.277 3.996) 6.619 3.245 ( 0.000 3.963 1.883) 4.387 3.537 ( 0.000 -1.941 2.969) 3.547 3.578 ( 0.000 -0.633 0.562) 0.846 3.781 ( 0.000 -2.903 5.828) 6.511 3.853 ( 0.000 -1.526 -0.912) 1.778 3.866 ( 0.000 -1.670 1.530) 2.265 3.877 ( 0.000 0.231 -0.175) 0.290 3.929 ( 0.000 3.084 2.286) 3.839 4.005 ( 0.000 3.396 4.179) 5.385 4.048 ( 0.000 4.048 -1.033) 4.178 4.149 ( 0.000 0.810 -4.688) 4.757 4.166 ( 0.000 -0.120 -3.472) 3.474 4.250 ( 0.000 0.702 -6.966) 7.002 4.583 ( 0.000 -3.947 6.264) 7.404 4.792 ( 0.000 -6.413 -12.767) 14.287 13.817 ( 0.000 0.505 0.097) 0.515 13.818 ( 0.000 0.555 -0.019) 0.556 13.822 ( 0.000 0.555 0.101) 0.564 13.822 ( 0.000 0.696 0.055) 0.698 13.980 ( 0.000 -0.121 0.471) 0.486 13.990 ( 0.000 -0.072 -0.537) 0.542 14.021 ( 0.000 -0.160 0.388) 0.419 14.026 ( 0.000 -0.126 -0.097) 0.159 17.743 ( 0.000 -0.530 -0.244) 0.584 17.744 ( 0.000 -0.505 -0.391) 0.639 17.761 ( 0.000 -0.669 0.957) 1.168 17.781 ( 0.000 -0.966 -1.074) 1.445 27.240 ( 0.000 -1.088 0.419) 1.166 27.243 ( 0.000 -2.459 0.414) 2.494 27.255 ( 0.000 -3.468 -0.723) 3.542 27.259 ( 0.000 -1.458 -1.425) 2.039 27.566 ( 0.000 8.130 3.631) 8.904 27.642 ( 0.000 7.820 -4.100) 8.830 27.753 ( 0.000 7.802 1.744) 7.995 27.793 ( 0.000 4.731 -1.953) 5.119 27.987 ( 0.000 3.341 3.107) 4.562 28.044 ( 0.000 1.804 -2.422) 3.019 29.189 ( 0.000 -6.293 7.335) 9.664 29.308 ( 0.000 -6.512 -5.049) 8.240 ======================= Grid point 231 (80/90) ======================= q-point: ( 0.25 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 0.786 8.046 -0.535) 8.102 1.123 ( -0.711 7.355 -4.158) 8.479 1.604 ( 3.670 -6.024 8.943) 11.390 1.652 ( 0.141 -7.404 3.459) 8.174 1.761 ( 1.051 -1.230 3.219) 3.603 1.852 ( 2.810 -1.262 -2.974) 4.281 1.939 ( 0.451 -1.824 4.001) 4.420 2.073 ( -2.470 -2.601 -6.523) 7.444 2.221 ( 2.353 -3.335 9.879) 10.689 2.338 ( -2.482 -5.994 2.286) 6.878 2.425 ( 0.789 -1.762 1.721) 2.586 2.448 ( 0.749 -0.128 -2.115) 2.247 2.609 ( -2.172 0.293 5.031) 5.488 2.693 ( -2.947 -1.062 -2.122) 3.784 2.737 ( -0.551 0.636 1.193) 1.460 2.785 ( 0.356 3.006 3.610) 4.711 2.809 ( -5.240 3.044 -3.985) 7.253 2.832 ( -0.519 3.605 -1.340) 3.880 2.992 ( 0.232 3.716 -2.776) 4.644 3.021 ( -0.351 3.547 -4.791) 5.972 3.225 ( 1.769 5.962 7.781) 9.961 3.294 ( 1.920 4.877 1.525) 5.459 3.525 ( -0.047 -0.308 3.883) 3.895 3.589 ( 0.395 -0.533 -1.785) 1.905 3.777 ( 0.047 -4.041 4.521) 6.064 3.835 ( -1.673 -3.056 -0.760) 3.566 3.870 ( 0.158 -1.054 0.049) 1.067 3.871 ( -0.418 -0.224 -0.469) 0.667 3.946 ( 1.885 3.620 1.731) 4.433 4.018 ( 0.770 3.171 -0.991) 3.410 4.047 ( -0.349 3.826 0.254) 3.851 4.076 ( -4.402 1.451 -3.483) 5.797 4.218 ( 5.330 -0.054 2.618) 5.939 4.341 ( 4.771 -0.916 -3.187) 5.810 4.569 ( -0.201 -3.645 1.357) 3.895 4.746 ( -4.669 -5.753 -12.430) 14.470 13.817 ( 0.069 0.573 0.093) 0.585 13.818 ( 0.050 0.631 -0.007) 0.633 13.821 ( -0.066 0.491 0.097) 0.505 13.822 ( -0.069 0.597 0.057) 0.603 13.982 ( 0.158 -0.131 0.374) 0.427 13.989 ( -0.126 -0.103 -0.337) 0.375 14.022 ( 0.086 -0.128 0.265) 0.306 14.026 ( -0.052 -0.115 -0.099) 0.160 17.744 ( 0.188 -0.526 -0.002) 0.558 17.749 ( 0.310 -0.612 -0.654) 0.948 17.760 ( -0.021 -0.634 0.824) 1.040 17.777 ( -0.445 -0.901 -0.934) 1.372 27.239 ( -0.041 -1.590 0.551) 1.683 27.241 ( -0.120 -2.391 0.512) 2.449 27.256 ( 0.112 -2.900 -0.927) 3.046 27.259 ( -0.006 -1.609 -1.396) 2.130 27.574 ( 0.895 8.068 2.798) 8.587 27.626 ( -1.435 7.833 -2.232) 8.270 27.766 ( 1.121 7.585 0.494) 7.683 27.794 ( -0.069 5.611 -1.930) 5.934 27.993 ( 0.645 2.725 2.583) 3.810 28.034 ( -0.998 1.749 -1.464) 2.490 29.205 ( 1.698 -6.291 5.383) 8.452 29.289 ( -1.847 -6.449 -3.362) 7.504 ======================= Grid point 232 (81/90) ======================= q-point: (-0.50 0.11 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( -1.093 7.628 -2.415) 8.076 1.105 ( 1.093 7.628 -2.415) 8.076 1.648 ( -0.925 -7.788 4.328) 8.958 1.648 ( 0.925 -7.788 4.328) 8.958 1.824 ( -4.422 0.553 7.075) 8.361 1.824 ( 4.422 0.553 7.075) 8.361 2.004 ( -4.710 -2.788 -5.817) 7.987 2.004 ( 4.710 -2.788 -5.817) 7.987 2.280 ( -3.582 -4.310 6.648) 8.695 2.280 ( 3.582 -4.310 6.648) 8.695 2.444 ( -0.999 -0.599 0.466) 1.255 2.444 ( 0.999 -0.599 0.466) 1.255 2.614 ( -3.458 -2.057 -1.506) 4.296 2.614 ( 3.458 -2.057 -1.506) 4.296 2.742 ( -1.768 3.220 0.787) 3.757 2.742 ( 1.768 3.220 0.787) 3.757 2.815 ( -1.708 2.419 0.503) 3.004 2.815 ( 1.708 2.419 0.503) 3.004 3.005 ( -1.034 3.637 -4.328) 5.747 3.005 ( 1.034 3.637 -4.328) 5.747 3.275 ( -2.948 6.068 6.988) 9.713 3.275 ( 2.948 6.068 6.988) 9.713 3.562 ( -2.941 0.767 -0.544) 3.087 3.562 ( 2.941 0.767 -0.544) 3.087 3.797 ( -1.986 -5.334 0.858) 5.756 3.797 ( 1.986 -5.334 0.858) 5.756 3.869 ( -0.121 -0.181 -0.269) 0.346 3.869 ( 0.121 -0.181 -0.269) 0.346 3.998 ( -3.461 3.480 0.361) 4.921 3.998 ( 3.461 3.480 0.361) 4.921 4.036 ( -0.927 2.712 -2.687) 3.929 4.036 ( 0.927 2.712 -2.687) 3.929 4.330 ( -5.183 -1.183 6.139) 8.121 4.330 ( 5.183 -1.183 6.139) 8.121 4.635 ( -6.363 -4.231 -10.265) 12.796 4.635 ( 6.363 -4.231 -10.265) 12.796 13.819 ( -0.051 0.825 0.055) 0.828 13.819 ( 0.051 0.825 0.055) 0.828 13.820 ( -0.031 0.312 0.068) 0.321 13.820 ( 0.031 0.312 0.068) 0.321 13.985 ( -0.212 -0.137 0.074) 0.263 13.985 ( 0.212 -0.137 0.074) 0.263 14.024 ( -0.123 -0.100 0.016) 0.160 14.024 ( 0.123 -0.100 0.016) 0.160 17.749 ( -0.293 -0.598 0.043) 0.668 17.749 ( 0.293 -0.598 0.043) 0.668 17.766 ( -0.603 -0.740 -0.433) 1.048 17.766 ( 0.603 -0.740 -0.433) 1.048 27.239 ( -0.066 -2.162 0.634) 2.254 27.239 ( 0.066 -2.162 0.634) 2.254 27.258 ( -0.073 -2.091 -1.236) 2.430 27.258 ( 0.073 -2.091 -1.236) 2.430 27.597 ( -1.489 7.930 0.623) 8.092 27.597 ( 1.489 7.930 0.623) 8.092 27.786 ( -0.815 6.928 -1.122) 7.065 27.786 ( 0.815 6.928 -1.122) 7.065 28.011 ( -1.261 1.900 0.746) 2.400 28.011 ( 1.261 1.900 0.746) 2.400 29.246 ( -2.510 -6.338 0.879) 6.873 29.246 ( 2.510 -6.338 0.879) 6.873 ======================= Grid point 235 (82/90) ======================= q-point: ( 0.00 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 0.000 10.827 0.840) 10.859 1.315 ( 0.000 10.591 -1.211) 10.660 1.443 ( 0.000 -6.206 5.213) 8.105 1.511 ( 0.000 -5.164 -0.019) 5.164 1.695 ( 0.000 -6.641 1.610) 6.834 1.720 ( 0.000 -2.165 -1.419) 2.588 1.940 ( 0.000 0.300 6.320) 6.327 2.027 ( 0.000 -3.678 0.396) 3.699 2.155 ( 0.000 -1.854 0.347) 1.886 2.210 ( 0.000 -7.748 0.172) 7.750 2.381 ( 0.000 -1.728 0.544) 1.812 2.412 ( 0.000 -1.869 -3.376) 3.859 2.638 ( 0.000 -2.535 4.479) 5.146 2.680 ( 0.000 -3.314 -0.010) 3.314 2.765 ( 0.000 0.878 0.857) 1.227 2.786 ( 0.000 -0.662 -0.353) 0.750 2.913 ( 0.000 3.084 2.013) 3.683 2.961 ( 0.000 2.517 -0.401) 2.549 3.064 ( 0.000 1.942 -3.624) 4.112 3.101 ( 0.000 3.776 -4.847) 6.144 3.301 ( 0.000 2.189 2.064) 3.009 3.315 ( 0.000 2.549 0.847) 2.686 3.535 ( 0.000 2.686 5.001) 5.677 3.595 ( 0.000 2.892 0.756) 2.989 3.730 ( 0.000 -2.149 3.015) 3.703 3.795 ( 0.000 -3.298 -2.361) 4.056 3.865 ( 0.000 0.699 1.688) 1.827 3.873 ( 0.000 -0.557 0.462) 0.724 4.006 ( 0.000 4.710 2.537) 5.350 4.075 ( 0.000 3.503 -0.958) 3.632 4.142 ( 0.000 4.978 0.177) 4.981 4.173 ( 0.000 1.578 -3.070) 3.452 4.179 ( 0.000 1.693 -1.190) 2.070 4.276 ( 0.000 1.873 -5.550) 5.857 4.492 ( 0.000 -4.582 4.337) 6.309 4.639 ( 0.000 -8.058 -8.878) 11.990 13.829 ( 0.000 0.879 0.194) 0.900 13.830 ( 0.000 0.882 0.056) 0.884 13.842 ( 0.000 1.318 0.294) 1.351 13.846 ( 0.000 1.455 -0.102) 1.459 13.977 ( 0.000 -0.224 0.579) 0.621 13.987 ( 0.000 -0.261 -0.452) 0.522 14.015 ( 0.000 -0.514 0.409) 0.657 14.020 ( 0.000 -0.529 -0.110) 0.540 17.729 ( 0.000 -0.730 -0.181) 0.752 17.732 ( 0.000 -0.732 -0.386) 0.827 17.744 ( 0.000 -0.946 0.675) 1.162 17.757 ( 0.000 -1.323 -0.658) 1.478 27.182 ( 0.000 -2.855 0.615) 2.920 27.193 ( 0.000 -2.051 -0.504) 2.112 27.218 ( 0.000 -1.290 0.496) 1.382 27.239 ( 0.000 -1.181 -1.557) 1.954 27.772 ( 0.000 11.964 3.410) 12.441 27.840 ( 0.000 11.333 -3.530) 11.870 27.892 ( 0.000 5.002 1.791) 5.313 27.915 ( 0.000 7.662 -1.113) 7.742 28.090 ( 0.000 6.768 -0.742) 6.808 28.100 ( 0.000 3.882 -1.354) 4.111 29.016 ( 0.000 -10.799 6.846) 12.786 29.130 ( 0.000 -10.970 -5.075) 12.087 ======================= Grid point 236 (83/90) ======================= q-point: ( 0.25 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.283 ( 0.297 10.354 0.563) 10.374 1.310 ( -0.635 10.584 -1.976) 10.786 1.470 ( 2.045 -6.370 4.712) 8.183 1.508 ( -0.398 -5.616 1.164) 5.749 1.737 ( 3.726 -1.400 3.243) 5.134 1.779 ( 6.071 -5.465 -1.845) 8.374 1.913 ( -2.637 -0.552 5.398) 6.032 1.996 ( -3.140 -4.535 -1.361) 5.682 2.163 ( 1.135 -2.779 1.906) 3.556 2.212 ( 0.005 -5.675 -0.952) 5.754 2.390 ( 1.465 -1.742 3.117) 3.859 2.442 ( 1.066 -1.160 -1.672) 2.297 2.595 ( -2.927 -2.096 2.420) 4.338 2.632 ( -4.388 -3.698 -1.234) 5.870 2.734 ( -1.320 -1.099 0.844) 1.914 2.808 ( -0.607 -0.906 -3.910) 4.059 2.877 ( -2.170 3.614 3.833) 5.697 2.917 ( -2.468 3.147 2.551) 4.744 3.060 ( -0.000 2.071 -4.419) 4.880 3.093 ( -1.044 2.617 -5.772) 6.423 3.345 ( 4.416 5.057 5.282) 8.542 3.392 ( 5.164 3.695 0.449) 6.366 3.540 ( 0.522 2.456 4.290) 4.971 3.597 ( 0.636 2.146 -0.321) 2.261 3.710 ( -2.139 -2.553 2.887) 4.408 3.763 ( -3.527 -3.486 -1.820) 5.282 3.853 ( 0.082 -0.868 1.632) 1.850 3.869 ( -0.629 -0.192 -0.254) 0.705 4.026 ( 1.723 4.638 0.870) 5.024 4.081 ( 0.249 3.277 -3.079) 4.504 4.126 ( -1.788 3.872 -1.193) 4.429 4.131 ( -1.569 3.953 -1.954) 4.681 4.229 ( 4.185 1.313 3.229) 5.447 4.328 ( 2.631 -0.174 -1.910) 3.256 4.487 ( 0.372 -4.079 0.417) 4.117 4.610 ( -2.952 -7.094 -8.772) 11.662 13.830 ( 0.096 0.885 0.196) 0.911 13.831 ( 0.065 0.891 0.089) 0.897 13.841 ( -0.056 1.316 0.232) 1.338 13.844 ( -0.159 1.419 -0.063) 1.429 13.978 ( 0.129 -0.250 0.476) 0.553 13.985 ( -0.168 -0.278 -0.239) 0.404 14.016 ( 0.134 -0.489 0.267) 0.573 14.020 ( -0.020 -0.504 -0.099) 0.514 17.730 ( 0.135 -0.737 -0.061) 0.752 17.734 ( 0.168 -0.835 -0.490) 0.982 17.744 ( 0.012 -0.921 0.555) 1.075 17.754 ( -0.290 -1.243 -0.563) 1.395 27.183 ( 0.061 -2.668 0.573) 2.729 27.190 ( -0.242 -2.126 -0.256) 2.155 27.222 ( 0.401 -1.312 0.084) 1.375 27.237 ( -0.229 -1.207 -1.323) 1.806 27.776 ( 0.477 11.492 2.460) 11.762 27.819 ( -1.638 10.727 -1.801) 11.000 27.909 ( 1.666 6.111 1.434) 6.494 27.936 ( 1.386 8.340 -1.831) 8.650 28.075 ( -1.006 5.091 0.136) 5.191 28.092 ( -0.943 4.651 -1.561) 4.996 29.033 ( 1.717 -10.748 4.900) 11.937 29.114 ( -1.702 -10.882 -3.496) 11.556 ======================= Grid point 237 (84/90) ======================= q-point: (-0.50 0.22 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -0.836 10.575 -0.910) 10.647 1.296 ( 0.836 10.575 -0.910) 10.647 1.496 ( -0.855 -6.443 2.639) 7.015 1.496 ( 0.855 -6.443 2.639) 7.015 1.823 ( -4.326 -0.205 5.473) 6.979 1.823 ( 4.326 -0.205 5.473) 6.979 1.916 ( -5.086 -5.825 -2.923) 8.267 1.916 ( 5.086 -5.825 -2.923) 8.267 2.197 ( -1.892 -3.476 1.260) 4.153 2.197 ( 1.892 -3.476 1.260) 4.153 2.423 ( -2.027 -1.929 2.586) 3.810 2.423 ( 2.027 -1.929 2.586) 3.810 2.574 ( -0.991 -1.830 -0.262) 2.098 2.574 ( 0.991 -1.830 -0.262) 2.098 2.749 ( -3.235 -2.026 -4.215) 5.686 2.749 ( 3.235 -2.026 -4.215) 5.686 2.883 ( -1.503 3.322 5.211) 6.359 2.883 ( 1.503 3.322 5.211) 6.359 3.070 ( -1.065 2.169 -5.689) 6.181 3.070 ( 1.065 2.169 -5.689) 6.181 3.419 ( -2.480 7.550 5.372) 9.592 3.419 ( 2.480 7.550 5.372) 9.592 3.584 ( -3.365 1.033 -0.188) 3.525 3.584 ( 3.365 1.033 -0.188) 3.525 3.696 ( -2.340 -4.176 0.522) 4.815 3.696 ( 2.340 -4.176 0.522) 4.815 3.860 ( -0.393 -0.874 0.351) 1.020 3.860 ( 0.393 -0.874 0.351) 1.020 4.061 ( -1.946 3.739 -1.981) 4.657 4.061 ( 1.946 3.739 -1.981) 4.657 4.115 ( -0.589 4.464 -1.601) 4.779 4.115 ( 0.589 4.464 -1.601) 4.779 4.311 ( -3.789 -0.434 4.994) 6.284 4.311 ( 3.789 -0.434 4.994) 6.284 4.538 ( -4.306 -4.910 -7.480) 9.930 4.538 ( 4.306 -4.910 -7.480) 9.930 13.831 ( -0.041 0.890 0.175) 0.908 13.831 ( 0.041 0.890 0.175) 0.908 13.841 ( -0.099 1.352 0.058) 1.357 13.841 ( 0.099 1.352 0.058) 1.357 13.981 ( -0.212 -0.284 0.170) 0.393 13.981 ( 0.212 -0.284 0.170) 0.393 14.019 ( -0.120 -0.473 0.022) 0.489 14.019 ( 0.120 -0.473 0.022) 0.489 17.734 ( -0.185 -0.822 -0.083) 0.847 17.734 ( 0.185 -0.822 -0.083) 0.847 17.748 ( -0.377 -1.048 -0.201) 1.132 17.748 ( 0.377 -1.048 -0.201) 1.132 27.185 ( -0.239 -2.350 0.248) 2.375 27.185 ( 0.239 -2.350 0.248) 2.375 27.230 ( -0.418 -1.275 -0.696) 1.511 27.230 ( 0.418 -1.275 -0.696) 1.511 27.792 ( -1.193 10.838 0.446) 10.912 27.792 ( 1.193 10.838 0.446) 10.912 27.940 ( -1.134 7.928 -0.281) 8.013 27.940 ( 1.134 7.928 -0.281) 8.013 28.072 ( -0.780 4.343 -0.564) 4.448 28.072 ( 0.780 4.343 -0.564) 4.448 29.073 ( -2.410 -10.747 0.521) 11.026 29.073 ( 2.410 -10.747 0.521) 11.026 ======================= Grid point 240 (85/90) ======================= q-point: ( 0.00 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.000 -3.189 3.240) 4.546 1.363 ( 0.000 -1.327 0.770) 1.535 1.498 ( 0.000 4.917 -0.941) 5.007 1.522 ( 0.000 -2.592 -2.082) 3.324 1.632 ( 0.000 7.889 3.988) 8.840 1.705 ( 0.000 2.729 -2.826) 3.928 1.956 ( 0.000 0.860 3.277) 3.388 1.966 ( 0.000 -2.398 0.731) 2.507 2.070 ( 0.000 -6.073 0.484) 6.092 2.103 ( 0.000 -3.939 -1.551) 4.234 2.366 ( 0.000 0.674 -1.784) 1.907 2.368 ( 0.000 -2.116 -1.616) 2.663 2.549 ( 0.000 -5.762 3.169) 6.576 2.597 ( 0.000 -4.782 -0.972) 4.880 2.773 ( 0.000 -0.028 -0.147) 0.150 2.775 ( 0.000 -0.582 0.137) 0.598 2.941 ( 0.000 0.161 3.108) 3.113 2.978 ( 0.000 -0.510 1.043) 1.161 3.050 ( 0.000 -2.810 -3.033) 4.134 3.105 ( 0.000 -3.222 -6.636) 7.377 3.336 ( 0.000 2.008 1.611) 2.574 3.353 ( 0.000 1.587 -0.279) 1.612 3.618 ( 0.000 4.350 4.418) 6.200 3.667 ( 0.000 2.671 1.092) 2.886 3.698 ( 0.000 -0.474 -0.400) 0.620 3.737 ( 0.000 -2.379 -2.588) 3.516 3.864 ( 0.000 0.007 2.224) 2.224 3.879 ( 0.000 0.580 0.598) 0.833 4.107 ( 0.000 5.021 1.649) 5.285 4.141 ( 0.000 3.090 -0.829) 3.199 4.206 ( 0.000 1.639 -2.158) 2.710 4.211 ( 0.000 2.072 -2.802) 3.484 4.250 ( 0.000 4.724 1.665) 5.009 4.319 ( 0.000 2.404 -3.681) 4.396 4.422 ( 0.000 -2.382 2.826) 3.696 4.505 ( 0.000 -5.102 -4.716) 6.948 13.853 ( 0.000 1.514 0.233) 1.532 13.854 ( 0.000 1.529 0.092) 1.532 13.870 ( 0.000 1.416 0.390) 1.469 13.875 ( 0.000 1.344 -0.103) 1.348 13.971 ( 0.000 -0.302 0.558) 0.635 13.979 ( 0.000 -0.521 -0.232) 0.570 13.999 ( 0.000 -1.063 0.408) 1.139 14.004 ( 0.000 -1.116 -0.034) 1.116 17.716 ( 0.000 -0.541 -0.137) 0.558 17.718 ( 0.000 -0.581 -0.308) 0.658 17.726 ( 0.000 -0.782 0.339) 0.853 17.733 ( 0.000 -1.067 -0.321) 1.114 27.146 ( 0.000 -0.851 0.990) 1.305 27.167 ( 0.000 -0.589 -1.090) 1.238 27.191 ( 0.000 -1.426 0.647) 1.566 27.213 ( 0.000 -1.384 -1.544) 2.073 27.976 ( 0.000 4.277 3.943) 5.817 28.002 ( 0.000 8.943 4.086) 9.832 28.047 ( 0.000 7.568 -2.701) 8.035 28.071 ( 0.000 10.392 -2.608) 10.714 28.188 ( 0.000 4.557 0.092) 4.558 28.238 ( 0.000 8.050 -4.622) 9.283 28.778 ( 0.000 -12.810 6.267) 14.261 28.893 ( 0.000 -12.632 -5.591) 13.814 ======================= Grid point 241 (86/90) ======================= q-point: ( 0.25 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 1.575 -1.721 3.421) 4.141 1.392 ( 1.885 -1.769 -0.009) 2.585 1.488 ( -0.305 6.032 0.222) 6.043 1.540 ( -0.443 3.316 -3.822) 5.079 1.680 ( 5.475 0.531 3.858) 6.719 1.735 ( 3.536 1.205 -1.123) 3.901 1.901 ( -4.767 -1.669 1.788) 5.358 1.928 ( -3.928 -1.280 0.657) 4.183 2.081 ( 2.542 -4.007 1.971) 5.138 2.148 ( 2.540 -2.195 -3.528) 4.870 2.360 ( 0.283 -1.065 2.291) 2.542 2.407 ( 0.474 -1.984 -1.641) 2.618 2.514 ( -1.922 -5.002 3.154) 6.218 2.569 ( -1.026 -3.343 -2.656) 4.391 2.703 ( -4.923 -1.580 2.158) 5.602 2.770 ( -3.144 -2.552 -4.660) 6.174 2.923 ( -0.754 1.185 3.996) 4.236 2.951 ( -1.629 0.650 1.920) 2.600 3.053 ( 0.402 -2.590 -3.897) 4.696 3.090 ( -1.224 -2.806 -6.408) 7.102 3.407 ( 6.557 1.740 2.330) 7.173 3.428 ( 6.550 0.809 -0.022) 6.600 3.617 ( -0.662 4.031 4.051) 5.753 3.668 ( -0.797 0.181 2.168) 2.317 3.673 ( -2.153 2.096 -1.237) 3.249 3.716 ( -2.642 -0.722 -1.865) 3.314 3.835 ( -1.167 -0.802 2.131) 2.559 3.861 ( -1.792 -0.588 -0.357) 1.920 4.125 ( 1.469 4.864 0.728) 5.133 4.153 ( 0.534 3.833 -1.862) 4.295 4.198 ( -0.668 3.112 -2.019) 3.770 4.202 ( -0.341 2.741 -2.390) 3.652 4.272 ( 2.224 3.039 3.157) 4.914 4.338 ( 0.712 1.179 -0.883) 1.636 4.424 ( 0.758 -2.261 0.069) 2.385 4.493 ( -1.313 -4.530 -4.763) 6.703 13.854 ( 0.099 1.506 0.243) 1.529 13.855 ( 0.077 1.529 0.117) 1.536 13.869 ( -0.074 1.392 0.320) 1.430 13.873 ( -0.192 1.359 -0.065) 1.374 13.972 ( 0.066 -0.352 0.490) 0.607 13.977 ( -0.157 -0.486 -0.071) 0.516 14.001 ( 0.154 -1.065 0.298) 1.116 14.004 ( 0.024 -1.092 -0.024) 1.093 17.717 ( 0.087 -0.553 -0.094) 0.567 17.719 ( 0.082 -0.624 -0.333) 0.712 17.726 ( -0.001 -0.787 0.272) 0.832 17.731 ( -0.152 -1.013 -0.276) 1.061 27.149 ( 0.282 -0.773 0.720) 1.093 27.163 ( -0.325 -0.592 -0.758) 1.015 27.195 ( 0.408 -1.427 0.299) 1.513 27.210 ( -0.255 -1.391 -1.241) 1.881 27.975 ( 0.227 6.480 3.465) 7.352 28.014 ( -1.211 9.836 2.510) 10.223 28.031 ( 1.709 5.423 0.380) 5.699 28.099 ( 1.079 8.445 -4.155) 9.473 28.174 ( -0.843 5.306 0.969) 5.459 28.224 ( -1.445 7.965 -4.347) 9.188 28.798 ( 1.883 -12.622 4.158) 13.422 28.878 ( -1.547 -12.545 -4.108) 13.291 ======================= Grid point 242 (87/90) ======================= q-point: (-0.50 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -2.103 -0.912 2.683) 3.529 1.392 ( 2.103 -0.912 2.683) 3.529 1.505 ( -2.328 5.852 -2.937) 6.950 1.505 ( 2.328 5.852 -2.938) 6.950 1.801 ( -6.122 -3.440 1.176) 7.120 1.801 ( 6.122 -3.440 1.176) 7.120 1.829 ( -5.979 0.013 1.872) 6.265 1.829 ( 5.979 0.013 1.872) 6.265 2.150 ( -3.152 -1.078 -1.595) 3.693 2.150 ( 3.152 -1.078 -1.595) 3.693 2.365 ( -2.091 -3.958 2.635) 5.194 2.365 ( 2.091 -3.958 2.635) 5.194 2.545 ( -3.769 -0.914 1.051) 4.018 2.545 ( 3.769 -0.914 1.051) 4.018 2.681 ( -4.340 -4.366 -4.175) 7.438 2.681 ( 4.340 -4.366 -4.175) 7.438 2.929 ( -0.925 1.407 3.444) 3.833 2.929 ( 0.925 1.407 3.444) 3.833 3.067 ( -1.089 -2.453 -5.539) 6.155 3.067 ( 1.089 -2.453 -5.539) 6.155 3.524 ( -2.175 2.203 2.573) 4.025 3.524 ( 2.175 2.203 2.573) 4.025 3.587 ( -2.603 -0.460 0.936) 2.804 3.587 ( 2.603 -0.460 0.936) 2.804 3.677 ( -0.846 2.610 -0.030) 2.744 3.677 ( 0.846 2.610 -0.030) 2.744 3.835 ( -0.817 -1.503 0.314) 1.739 3.835 ( 0.817 -1.503 0.314) 1.739 4.148 ( -0.881 4.602 -1.290) 4.860 4.148 ( 0.881 4.602 -1.290) 4.860 4.196 ( -0.262 3.519 -2.022) 4.067 4.196 ( 0.262 3.519 -2.022) 4.067 4.319 ( -2.327 1.216 3.554) 4.419 4.319 ( 2.327 1.216 3.554) 4.419 4.458 ( -2.289 -3.129 -4.217) 5.728 4.458 ( 2.289 -3.129 -4.217) 5.728 13.856 ( -0.054 1.514 0.217) 1.530 13.856 ( 0.054 1.514 0.217) 1.530 13.869 ( -0.132 1.370 0.092) 1.379 13.869 ( 0.132 1.370 0.092) 1.379 13.974 ( -0.170 -0.426 0.252) 0.523 13.974 ( 0.170 -0.426 0.252) 0.523 14.004 ( -0.104 -1.068 0.091) 1.077 14.004 ( 0.104 -1.068 0.091) 1.077 17.719 ( -0.101 -0.606 -0.133) 0.629 17.719 ( 0.101 -0.606 -0.133) 0.629 17.728 ( -0.184 -0.884 -0.084) 0.907 17.728 ( 0.184 -0.884 -0.084) 0.907 27.156 ( -0.436 -0.646 0.011) 0.780 27.156 ( 0.436 -0.646 0.011) 0.780 27.204 ( -0.460 -1.411 -0.493) 1.564 27.204 ( 0.460 -1.411 -0.493) 1.564 27.988 ( -1.115 8.264 2.373) 8.670 27.988 ( 1.115 8.264 2.373) 8.670 28.078 ( -2.633 5.593 -0.054) 6.182 28.078 ( 2.633 5.593 -0.054) 6.182 28.189 ( -1.988 7.715 -2.616) 8.386 28.189 ( 1.988 7.715 -2.616) 8.386 28.840 ( -2.373 -12.457 -0.265) 12.683 28.840 ( 2.373 -12.457 -0.265) 12.683 ======================= Grid point 245 (88/90) ======================= q-point: ( 0.00 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.000 0.682 2.031) 2.143 1.344 ( 0.000 -1.009 1.612) 1.902 1.454 ( 0.000 -1.035 -3.226) 3.388 1.489 ( 0.000 -3.098 -4.466) 5.436 1.837 ( 0.000 9.255 1.861) 9.440 1.840 ( 0.000 8.212 1.419) 8.333 1.936 ( 0.000 -0.618 -2.242) 2.326 1.949 ( 0.000 -1.394 -3.441) 3.713 1.976 ( 0.000 -4.259 3.142) 5.292 1.997 ( 0.000 -6.397 1.244) 6.517 2.356 ( 0.000 1.547 2.016) 2.541 2.405 ( 0.000 1.489 -1.161) 1.888 2.441 ( 0.000 -3.184 1.103) 3.370 2.501 ( 0.000 -4.693 -2.596) 5.363 2.764 ( 0.000 -0.299 0.269) 0.402 2.767 ( 0.000 -0.425 -0.073) 0.431 2.944 ( 0.000 0.747 1.687) 1.845 2.967 ( 0.000 -0.028 -1.280) 1.280 2.988 ( 0.000 -2.369 -1.655) 2.890 3.022 ( 0.000 -4.040 -5.216) 6.598 3.368 ( 0.000 1.018 0.453) 1.114 3.374 ( 0.000 0.425 -0.107) 0.438 3.669 ( 0.000 -0.260 0.908) 0.944 3.670 ( 0.000 0.408 2.048) 2.088 3.713 ( 0.000 0.405 -1.599) 1.649 3.720 ( 0.000 0.516 -1.182) 1.290 3.875 ( 0.000 0.787 1.888) 2.045 3.884 ( 0.000 -0.097 0.862) 0.868 4.180 ( 0.000 1.962 0.987) 2.197 4.186 ( 0.000 1.155 0.372) 1.214 4.234 ( 0.000 1.001 -2.354) 2.558 4.238 ( 0.000 0.624 -2.847) 2.915 4.331 ( 0.000 3.185 0.929) 3.318 4.362 ( 0.000 0.973 -2.232) 2.434 4.395 ( 0.000 0.038 2.073) 2.073 4.432 ( 0.000 -2.717 -1.738) 3.225 13.883 ( 0.000 1.254 0.265) 1.281 13.885 ( 0.000 1.316 0.026) 1.317 13.893 ( 0.000 0.651 0.178) 0.675 13.893 ( 0.000 0.316 0.128) 0.341 13.968 ( 0.000 0.109 0.287) 0.307 13.969 ( 0.000 -0.344 0.208) 0.402 13.976 ( 0.000 -1.073 0.451) 1.164 13.980 ( 0.000 -1.090 0.052) 1.091 17.709 ( 0.000 -0.142 -0.114) 0.182 17.710 ( 0.000 -0.208 -0.185) 0.278 17.715 ( 0.000 -0.280 0.051) 0.285 17.717 ( 0.000 -0.473 -0.143) 0.494 27.145 ( 0.000 0.558 0.948) 1.100 27.163 ( 0.000 -1.178 0.702) 1.371 27.168 ( 0.000 0.511 -1.264) 1.363 27.186 ( 0.000 -1.225 -1.476) 1.918 28.048 ( 0.000 2.746 3.326) 4.313 28.072 ( 0.000 0.628 1.365) 1.503 28.219 ( 0.000 4.127 -1.261) 4.315 28.233 ( 0.000 4.072 -3.259) 5.216 28.285 ( 0.000 9.497 6.324) 11.410 28.419 ( 0.000 10.488 -7.455) 12.868 28.523 ( 0.000 -12.784 5.889) 14.075 28.645 ( 0.000 -12.164 -6.668) 13.871 ======================= Grid point 246 (89/90) ======================= q-point: ( 0.25 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 3.321 1.859 1.702) 4.169 1.385 ( 3.528 -0.164 -0.703) 3.601 1.492 ( 2.364 -2.492 -2.688) 4.362 1.509 ( 1.345 -2.302 -3.188) 4.156 1.789 ( -2.368 3.744 1.701) 4.745 1.801 ( -1.829 3.687 0.766) 4.187 1.881 ( -3.757 0.701 1.208) 4.008 1.913 ( -3.278 -0.786 -0.673) 3.437 2.048 ( 6.510 0.780 1.833) 6.808 2.095 ( 6.330 -3.077 -1.850) 7.277 2.348 ( -2.870 0.023 1.934) 3.461 2.374 ( -6.204 -1.877 -0.020) 6.481 2.448 ( 3.945 -0.175 0.953) 4.063 2.495 ( 1.804 -3.771 -2.930) 5.105 2.689 ( -6.550 0.414 0.994) 6.637 2.719 ( -5.573 -2.372 -2.242) 6.459 2.942 ( 0.187 1.237 1.455) 1.919 2.962 ( -0.361 0.915 -1.139) 1.505 2.989 ( 0.292 -2.908 -1.941) 3.509 3.015 ( -0.654 -3.764 -4.724) 6.076 3.431 ( 5.898 0.783 0.684) 5.988 3.438 ( 5.888 0.114 0.016) 5.889 3.646 ( -2.785 -0.339 0.839) 2.928 3.649 ( -2.785 -0.509 1.178) 3.066 3.721 ( 1.263 2.149 -0.058) 2.493 3.740 ( 1.384 0.712 -1.241) 1.990 3.831 ( -3.395 0.544 1.884) 3.920 3.847 ( -3.165 -0.825 0.273) 3.282 4.198 ( 1.576 2.294 0.720) 2.875 4.211 ( 1.742 1.245 -0.319) 2.165 4.236 ( 0.071 1.060 -1.845) 2.129 4.240 ( 0.194 0.955 -2.444) 2.632 4.337 ( 0.728 3.033 1.235) 3.355 4.370 ( 0.433 1.382 -1.874) 2.368 4.391 ( -0.096 -0.906 1.613) 1.852 4.426 ( -0.696 -2.650 -1.735) 3.243 13.883 ( 0.066 1.213 0.248) 1.239 13.885 ( 0.012 1.230 0.052) 1.231 13.891 ( -0.105 0.618 0.208) 0.660 13.892 ( -0.092 0.457 0.077) 0.473 13.967 ( -0.011 0.021 0.356) 0.357 13.969 ( -0.031 -0.161 0.176) 0.241 13.978 ( 0.132 -1.100 0.386) 1.173 13.981 ( 0.013 -1.142 0.088) 1.145 17.710 ( 0.071 -0.134 -0.096) 0.180 17.711 ( 0.081 -0.208 -0.198) 0.299 17.715 ( -0.057 -0.303 0.042) 0.312 17.716 ( -0.084 -0.459 -0.139) 0.487 27.148 ( 0.374 0.590 0.622) 0.936 27.164 ( -0.268 0.521 -0.936) 1.105 27.168 ( 0.362 -1.177 0.385) 1.290 27.184 ( -0.277 -1.242 -1.145) 1.712 28.065 ( 1.718 3.062 3.307) 4.823 28.090 ( 1.928 0.714 1.131) 2.346 28.172 ( -3.373 4.987 2.095) 6.375 28.205 ( -3.018 1.477 -1.361) 3.625 28.323 ( 2.848 10.160 1.440) 10.649 28.407 ( -1.275 10.550 -6.178) 12.292 28.548 ( 2.350 -12.290 3.088) 12.888 28.632 ( -1.394 -12.071 -5.265) 13.243 ======================= Grid point 247 (90/90) ======================= q-point: (-0.50 0.44 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 149 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( -2.129 3.493 -0.623) 4.138 1.417 ( 2.129 3.493 -0.623) 4.138 1.507 ( -1.483 -4.379 -2.264) 5.148 1.507 ( 1.483 -4.379 -2.264) 5.148 1.806 ( -3.468 2.440 1.612) 4.536 1.806 ( 3.468 2.440 1.612) 4.536 1.834 ( -4.050 -0.231 0.938) 4.164 1.834 ( 4.050 -0.231 0.938) 4.164 2.171 ( -3.350 3.521 -0.735) 4.915 2.171 ( 3.350 3.521 -0.735) 4.915 2.269 ( -1.888 -5.492 1.224) 5.935 2.269 ( 1.888 -5.492 1.224) 5.935 2.547 ( -5.317 1.310 0.484) 5.497 2.547 ( 5.317 1.310 0.484) 5.498 2.597 ( -5.275 -3.650 -2.306) 6.817 2.597 ( 5.275 -3.650 -2.306) 6.817 2.952 ( -0.680 1.461 0.108) 1.616 2.952 ( 0.680 1.461 0.108) 1.616 3.001 ( -0.839 -3.411 -3.487) 4.949 3.001 ( 0.839 -3.411 -3.487) 4.949 3.546 ( -1.333 0.986 0.738) 1.815 3.546 ( 1.333 0.986 0.738) 1.815 3.570 ( -1.188 -1.278 0.589) 1.842 3.570 ( 1.188 -1.278 0.589) 1.842 3.748 ( -1.074 3.448 0.351) 3.628 3.748 ( 1.074 3.448 0.351) 3.628 3.801 ( -1.036 -2.049 0.280) 2.313 3.801 ( 1.036 -2.049 0.280) 2.313 4.222 ( -0.742 2.473 -0.502) 2.630 4.222 ( 0.742 2.473 -0.502) 2.630 4.240 ( -0.342 0.666 -1.561) 1.731 4.240 ( 0.342 0.666 -1.561) 1.731 4.357 ( -1.288 2.500 1.218) 3.065 4.357 ( 1.288 2.500 1.218) 3.065 4.407 ( -1.264 -2.353 -1.436) 3.032 4.407 ( 1.264 -2.353 -1.436) 3.032 13.885 ( -0.074 1.151 0.177) 1.167 13.885 ( 0.074 1.151 0.177) 1.167 13.891 ( -0.062 0.599 0.110) 0.612 13.891 ( 0.062 0.599 0.110) 0.612 13.968 ( -0.063 -0.024 0.295) 0.303 13.968 ( 0.063 -0.024 0.295) 0.303 13.980 ( -0.090 -1.160 0.213) 1.182 13.980 ( 0.090 -1.160 0.213) 1.182 17.712 ( -0.063 -0.125 -0.115) 0.181 17.712 ( 0.063 -0.125 -0.115) 0.181 17.715 ( -0.083 -0.428 -0.081) 0.444 17.715 ( 0.083 -0.428 -0.081) 0.444 27.157 ( -0.485 0.627 -0.183) 0.814 27.157 ( 0.485 0.627 -0.183) 0.814 27.176 ( -0.479 -1.268 -0.346) 1.399 27.176 ( 0.479 -1.268 -0.346) 1.399 28.109 ( -2.802 4.013 2.723) 5.601 28.109 ( 2.802 4.013 2.723) 5.601 28.143 ( -3.161 0.744 0.992) 3.395 28.143 ( 3.161 0.744 0.992) 3.395 28.373 ( -2.350 10.501 -2.996) 11.170 28.373 ( 2.350 10.501 -2.996) 11.170 28.596 ( -2.422 -11.975 -1.594) 12.321 28.596 ( 2.422 -11.975 -1.594) 12.321 =================== 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 3/23760 10.0 17.026 24.498 22.322 0.000 0.000 -0.000 3/23760 20.0 4.126 6.054 5.964 0.000 0.000 -0.000 3/23760 30.0 1.989 2.915 2.998 0.000 0.000 -0.000 3/23760 40.0 1.268 1.870 1.940 0.000 0.000 -0.000 3/23760 50.0 0.932 1.387 1.434 0.000 0.000 -0.000 3/23760 60.0 0.742 1.113 1.144 0.000 0.000 -0.000 3/23760 70.0 0.619 0.935 0.956 0.000 0.000 -0.000 3/23760 80.0 0.534 0.810 0.824 0.000 0.000 -0.000 3/23760 90.0 0.470 0.716 0.726 0.000 0.000 -0.000 3/23760 100.0 0.420 0.643 0.649 0.000 0.000 -0.000 3/23760 110.0 0.381 0.584 0.588 0.000 0.000 -0.000 3/23760 120.0 0.348 0.535 0.538 0.000 0.000 -0.000 3/23760 130.0 0.321 0.495 0.496 0.000 0.000 -0.000 3/23760 140.0 0.298 0.461 0.460 0.000 0.000 -0.000 3/23760 150.0 0.278 0.431 0.430 0.000 0.000 -0.000 3/23760 160.0 0.261 0.406 0.403 0.000 0.000 -0.000 3/23760 170.0 0.246 0.385 0.380 0.000 0.000 -0.000 3/23760 180.0 0.233 0.366 0.360 0.000 0.000 -0.000 3/23760 190.0 0.222 0.350 0.343 0.000 0.000 -0.000 3/23760 200.0 0.212 0.336 0.327 0.000 0.000 -0.000 3/23760 210.0 0.203 0.324 0.313 0.000 0.000 -0.000 3/23760 220.0 0.195 0.314 0.301 0.000 0.000 -0.000 3/23760 230.0 0.188 0.305 0.290 0.000 0.000 -0.000 3/23760 240.0 0.181 0.297 0.280 0.000 0.000 -0.000 3/23760 250.0 0.176 0.290 0.271 0.000 0.000 -0.000 3/23760 260.0 0.170 0.284 0.263 0.000 0.000 -0.000 3/23760 270.0 0.166 0.279 0.256 0.000 0.000 -0.000 3/23760 280.0 0.161 0.274 0.249 0.000 0.000 -0.000 3/23760 290.0 0.157 0.270 0.243 0.000 0.000 -0.000 3/23760 300.0 0.154 0.266 0.237 0.000 0.000 -0.000 3/23760 310.0 0.150 0.262 0.232 0.000 0.000 -0.000 3/23760 320.0 0.147 0.259 0.227 0.000 0.000 -0.000 3/23760 330.0 0.144 0.256 0.223 0.000 0.000 -0.000 3/23760 340.0 0.141 0.254 0.218 0.000 0.000 -0.000 3/23760 350.0 0.139 0.251 0.214 0.000 0.000 -0.000 3/23760 360.0 0.136 0.249 0.210 0.000 0.000 -0.000 3/23760 370.0 0.134 0.246 0.207 0.000 0.000 -0.000 3/23760 380.0 0.131 0.244 0.203 0.000 0.000 -0.000 3/23760 390.0 0.129 0.242 0.200 0.000 0.000 -0.000 3/23760 400.0 0.127 0.240 0.197 0.000 0.000 -0.000 3/23760 410.0 0.125 0.238 0.194 0.000 0.000 -0.000 3/23760 420.0 0.123 0.236 0.191 0.000 0.000 -0.000 3/23760 430.0 0.122 0.234 0.188 0.000 0.000 -0.000 3/23760 440.0 0.120 0.232 0.186 0.000 0.000 -0.000 3/23760 450.0 0.118 0.230 0.183 0.000 0.000 -0.000 3/23760 460.0 0.117 0.229 0.181 0.000 0.000 -0.000 3/23760 470.0 0.115 0.227 0.178 0.000 0.000 -0.000 3/23760 480.0 0.113 0.225 0.176 0.000 0.000 -0.000 3/23760 490.0 0.112 0.223 0.173 0.000 0.000 -0.000 3/23760 500.0 0.110 0.222 0.171 0.000 0.000 -0.000 3/23760 510.0 0.109 0.220 0.169 0.000 0.000 -0.000 3/23760 520.0 0.108 0.218 0.167 0.000 0.000 -0.000 3/23760 530.0 0.106 0.216 0.165 0.000 0.000 -0.000 3/23760 540.0 0.105 0.215 0.163 0.000 0.000 -0.000 3/23760 550.0 0.104 0.213 0.161 0.000 0.000 -0.000 3/23760 560.0 0.102 0.211 0.159 0.000 0.000 -0.000 3/23760 570.0 0.101 0.210 0.157 0.000 0.000 -0.000 3/23760 580.0 0.100 0.208 0.155 0.000 0.000 -0.000 3/23760 590.0 0.099 0.206 0.154 0.000 0.000 -0.000 3/23760 600.0 0.098 0.205 0.152 0.000 0.000 -0.000 3/23760 610.0 0.097 0.203 0.150 0.000 0.000 -0.000 3/23760 620.0 0.096 0.202 0.149 0.000 0.000 -0.000 3/23760 630.0 0.094 0.200 0.147 0.000 0.000 -0.000 3/23760 640.0 0.093 0.198 0.145 0.000 0.000 -0.000 3/23760 650.0 0.092 0.197 0.144 0.000 0.000 -0.000 3/23760 660.0 0.091 0.195 0.142 0.000 0.000 -0.000 3/23760 670.0 0.090 0.194 0.141 0.000 0.000 -0.000 3/23760 680.0 0.089 0.192 0.139 0.000 0.000 -0.000 3/23760 690.0 0.089 0.191 0.138 0.000 0.000 -0.000 3/23760 700.0 0.088 0.189 0.136 0.000 0.000 -0.000 3/23760 710.0 0.087 0.188 0.135 0.000 0.000 -0.000 3/23760 720.0 0.086 0.186 0.134 0.000 0.000 -0.000 3/23760 730.0 0.085 0.185 0.132 0.000 0.000 -0.000 3/23760 740.0 0.084 0.183 0.131 0.000 0.000 -0.000 3/23760 750.0 0.083 0.182 0.130 0.000 0.000 -0.000 3/23760 760.0 0.082 0.181 0.129 0.000 0.000 -0.000 3/23760 770.0 0.082 0.179 0.127 0.000 0.000 -0.000 3/23760 780.0 0.081 0.178 0.126 0.000 0.000 -0.000 3/23760 790.0 0.080 0.177 0.125 0.000 0.000 -0.000 3/23760 800.0 0.079 0.175 0.124 0.000 0.000 -0.000 3/23760 810.0 0.079 0.174 0.123 0.000 0.000 -0.000 3/23760 820.0 0.078 0.173 0.121 0.000 0.000 -0.000 3/23760 830.0 0.077 0.171 0.120 0.000 0.000 -0.000 3/23760 840.0 0.076 0.170 0.119 0.000 0.000 -0.000 3/23760 850.0 0.076 0.169 0.118 0.000 0.000 -0.000 3/23760 860.0 0.075 0.167 0.117 0.000 0.000 -0.000 3/23760 870.0 0.074 0.166 0.116 0.000 0.000 -0.000 3/23760 880.0 0.074 0.165 0.115 0.000 0.000 -0.000 3/23760 890.0 0.073 0.164 0.114 0.000 0.000 -0.000 3/23760 900.0 0.072 0.163 0.113 0.000 0.000 -0.000 3/23760 910.0 0.072 0.161 0.112 0.000 0.000 -0.000 3/23760 920.0 0.071 0.160 0.111 0.000 0.000 -0.000 3/23760 930.0 0.070 0.159 0.110 0.000 0.000 -0.000 3/23760 940.0 0.070 0.158 0.109 0.000 0.000 -0.000 3/23760 950.0 0.069 0.157 0.108 0.000 0.000 -0.000 3/23760 960.0 0.069 0.156 0.107 0.000 0.000 -0.000 3/23760 970.0 0.068 0.155 0.107 0.000 0.000 -0.000 3/23760 980.0 0.067 0.154 0.106 0.000 0.000 -0.000 3/23760 990.0 0.067 0.152 0.105 0.000 0.000 -0.000 3/23760 1000.0 0.066 0.151 0.104 0.000 0.000 -0.000 3/23760 Thermal conductivity related properties were written into "kappa-m4911.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:26:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|