----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:53:04]------------------------- 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: [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.194905725000000 -7.860803970000000 0.000000000000000 b 2.194905725000000 7.860803970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.305903710000001 Atomic positions (fractional): *1 Se 0.56537757118585 0.43462242881415 0.75000000000000 78.960 2 Se 0.43462242881415 0.56537757118585 0.25000000000000 78.960 *3 Se 0.12510661971485 0.87489338028515 0.05156500320990 78.960 4 Se 0.12510661971485 0.87489338028515 0.44843499679010 78.960 5 Se 0.87489338028515 0.12510661971485 0.55156500320990 78.960 6 Se 0.87489338028515 0.12510661971485 0.94843499679010 78.960 *7 Cs 0.75446630666466 0.24553369333534 0.25000000000000 132.905 8 Cs 0.24553369333534 0.75446630666466 0.75000000000000 132.905 *9 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 10 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 *11 Hg 0.95981845426389 0.04018154573611 0.75000000000000 200.590 12 Hg 0.04018154573611 0.95981845426389 0.25000000000000 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.389811450000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.721607940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.305903710000001 Atomic positions (fractional): *1 Se 0.00000000000000 0.43462242881415 0.75000000000000 78.960 > 1 2 Se 0.50000000000000 0.06537757118585 0.25000000000000 78.960 > 2 *3 Se 0.50000000000000 0.37489338028515 0.05156500320990 78.960 > 3 4 Se 0.50000000000000 0.37489338028515 0.44843499679010 78.960 > 4 5 Se 0.00000000000000 0.12510661971485 0.55156500320990 78.960 > 5 6 Se 0.00000000000000 0.12510661971485 0.94843499679010 78.960 > 6 7 Se 0.50000000000000 0.93462242881415 0.75000000000000 78.960 > 1 8 Se 0.00000000000000 0.56537757118585 0.25000000000000 78.960 > 2 9 Se 0.00000000000000 0.87489338028515 0.05156500320990 78.960 > 3 10 Se 0.00000000000000 0.87489338028515 0.44843499679010 78.960 > 4 11 Se 0.50000000000000 0.62510661971485 0.55156500320990 78.960 > 5 12 Se 0.50000000000000 0.62510661971485 0.94843499679010 78.960 > 6 *13 Cs 0.00000000000000 0.24553369333534 0.25000000000000 132.905 > 7 14 Cs 0.50000000000000 0.25446630666466 0.75000000000000 132.905 > 8 15 Cs 0.50000000000000 0.74553369333534 0.25000000000000 132.905 > 7 16 Cs 0.00000000000000 0.75446630666466 0.75000000000000 132.905 > 8 *17 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 > 9 18 La 0.50000000000000 0.00000000000000 0.50000000000000 138.905 > 10 19 La 0.00000000000000 0.50000000000000 0.00000000000000 138.905 > 9 20 La 0.00000000000000 0.50000000000000 0.50000000000000 138.905 > 10 *21 Hg 0.00000000000000 0.04018154573611 0.75000000000000 200.590 > 11 22 Hg 0.50000000000000 0.45981845426389 0.25000000000000 200.590 > 12 23 Hg 0.50000000000000 0.54018154573611 0.75000000000000 200.590 > 11 24 Hg 0.00000000000000 0.95981845426389 0.25000000000000 200.590 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.169434350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.721607940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.611807420000002 Atomic positions (fractional): *1 Se 0.00000000000000 0.43462242881415 0.37500000000000 78.960 > 1 2 Se 0.33333333333333 0.43462242881415 0.37500000000000 78.960 > 1 3 Se 0.66666666666667 0.43462242881415 0.37500000000000 78.960 > 1 4 Se 0.00000000000000 0.43462242881415 0.87500000000000 78.960 > 1 5 Se 0.33333333333333 0.43462242881415 0.87500000000000 78.960 > 1 6 Se 0.66666666666667 0.43462242881415 0.87500000000000 78.960 > 1 7 Se 0.16666666666667 0.06537757118585 0.12500000000000 78.960 > 2 8 Se 0.50000000000000 0.06537757118585 0.12500000000000 78.960 > 2 9 Se 0.83333333333333 0.06537757118585 0.12500000000000 78.960 > 2 10 Se 0.16666666666667 0.06537757118585 0.62500000000000 78.960 > 2 11 Se 0.50000000000000 0.06537757118585 0.62500000000000 78.960 > 2 12 Se 0.83333333333333 0.06537757118585 0.62500000000000 78.960 > 2 *13 Se 0.16666666666667 0.37489338028515 0.02578250160495 78.960 > 3 14 Se 0.50000000000000 0.37489338028515 0.02578250160495 78.960 > 3 15 Se 0.83333333333333 0.37489338028515 0.02578250160495 78.960 > 3 16 Se 0.16666666666667 0.37489338028515 0.52578250160495 78.960 > 3 17 Se 0.50000000000000 0.37489338028515 0.52578250160495 78.960 > 3 18 Se 0.83333333333333 0.37489338028515 0.52578250160495 78.960 > 3 19 Se 0.16666666666667 0.37489338028515 0.22421749839505 78.960 > 4 20 Se 0.50000000000000 0.37489338028515 0.22421749839505 78.960 > 4 21 Se 0.83333333333333 0.37489338028515 0.22421749839505 78.960 > 4 22 Se 0.16666666666667 0.37489338028515 0.72421749839505 78.960 > 4 23 Se 0.50000000000000 0.37489338028515 0.72421749839505 78.960 > 4 24 Se 0.83333333333333 0.37489338028515 0.72421749839505 78.960 > 4 25 Se 0.00000000000000 0.12510661971485 0.27578250160495 78.960 > 5 26 Se 0.33333333333333 0.12510661971485 0.27578250160495 78.960 > 5 27 Se 0.66666666666667 0.12510661971485 0.27578250160495 78.960 > 5 28 Se 0.00000000000000 0.12510661971485 0.77578250160495 78.960 > 5 29 Se 0.33333333333333 0.12510661971485 0.77578250160495 78.960 > 5 30 Se 0.66666666666667 0.12510661971485 0.77578250160495 78.960 > 5 31 Se 0.00000000000000 0.12510661971485 0.47421749839505 78.960 > 6 32 Se 0.33333333333333 0.12510661971485 0.47421749839505 78.960 > 6 33 Se 0.66666666666667 0.12510661971485 0.47421749839505 78.960 > 6 34 Se 0.00000000000000 0.12510661971485 0.97421749839505 78.960 > 6 35 Se 0.33333333333333 0.12510661971485 0.97421749839505 78.960 > 6 36 Se 0.66666666666667 0.12510661971485 0.97421749839505 78.960 > 6 37 Se 0.16666666666667 0.93462242881415 0.37500000000000 78.960 > 1 38 Se 0.50000000000000 0.93462242881415 0.37500000000000 78.960 > 1 39 Se 0.83333333333333 0.93462242881415 0.37500000000000 78.960 > 1 40 Se 0.16666666666667 0.93462242881415 0.87500000000000 78.960 > 1 41 Se 0.50000000000000 0.93462242881415 0.87500000000000 78.960 > 1 42 Se 0.83333333333333 0.93462242881415 0.87500000000000 78.960 > 1 43 Se 0.00000000000000 0.56537757118585 0.12500000000000 78.960 > 2 44 Se 0.33333333333333 0.56537757118585 0.12500000000000 78.960 > 2 45 Se 0.66666666666667 0.56537757118585 0.12500000000000 78.960 > 2 46 Se 0.00000000000000 0.56537757118585 0.62500000000000 78.960 > 2 47 Se 0.33333333333333 0.56537757118585 0.62500000000000 78.960 > 2 48 Se 0.66666666666667 0.56537757118585 0.62500000000000 78.960 > 2 49 Se 0.00000000000000 0.87489338028515 0.02578250160495 78.960 > 3 50 Se 0.33333333333333 0.87489338028515 0.02578250160495 78.960 > 3 51 Se 0.66666666666667 0.87489338028515 0.02578250160495 78.960 > 3 52 Se 0.00000000000000 0.87489338028515 0.52578250160495 78.960 > 3 53 Se 0.33333333333333 0.87489338028515 0.52578250160495 78.960 > 3 54 Se 0.66666666666667 0.87489338028515 0.52578250160495 78.960 > 3 55 Se 0.00000000000000 0.87489338028515 0.22421749839505 78.960 > 4 56 Se 0.33333333333333 0.87489338028515 0.22421749839505 78.960 > 4 57 Se 0.66666666666667 0.87489338028515 0.22421749839505 78.960 > 4 58 Se 0.00000000000000 0.87489338028515 0.72421749839505 78.960 > 4 59 Se 0.33333333333333 0.87489338028515 0.72421749839505 78.960 > 4 60 Se 0.66666666666667 0.87489338028515 0.72421749839505 78.960 > 4 61 Se 0.16666666666667 0.62510661971485 0.27578250160495 78.960 > 5 62 Se 0.50000000000000 0.62510661971485 0.27578250160495 78.960 > 5 63 Se 0.83333333333333 0.62510661971485 0.27578250160495 78.960 > 5 64 Se 0.16666666666667 0.62510661971485 0.77578250160495 78.960 > 5 65 Se 0.50000000000000 0.62510661971485 0.77578250160495 78.960 > 5 66 Se 0.83333333333333 0.62510661971485 0.77578250160495 78.960 > 5 67 Se 0.16666666666667 0.62510661971485 0.47421749839505 78.960 > 6 68 Se 0.50000000000000 0.62510661971485 0.47421749839505 78.960 > 6 69 Se 0.83333333333333 0.62510661971485 0.47421749839505 78.960 > 6 70 Se 0.16666666666667 0.62510661971485 0.97421749839505 78.960 > 6 71 Se 0.50000000000000 0.62510661971485 0.97421749839505 78.960 > 6 72 Se 0.83333333333333 0.62510661971485 0.97421749839505 78.960 > 6 *73 Cs 0.00000000000000 0.24553369333534 0.12500000000000 132.905 > 7 74 Cs 0.33333333333333 0.24553369333534 0.12500000000000 132.905 > 7 75 Cs 0.66666666666667 0.24553369333534 0.12500000000000 132.905 > 7 76 Cs 0.00000000000000 0.24553369333534 0.62500000000000 132.905 > 7 77 Cs 0.33333333333333 0.24553369333534 0.62500000000000 132.905 > 7 78 Cs 0.66666666666667 0.24553369333534 0.62500000000000 132.905 > 7 79 Cs 0.16666666666667 0.25446630666466 0.37500000000000 132.905 > 8 80 Cs 0.50000000000000 0.25446630666466 0.37500000000000 132.905 > 8 81 Cs 0.83333333333333 0.25446630666466 0.37500000000000 132.905 > 8 82 Cs 0.16666666666667 0.25446630666466 0.87500000000000 132.905 > 8 83 Cs 0.50000000000000 0.25446630666466 0.87500000000000 132.905 > 8 84 Cs 0.83333333333333 0.25446630666466 0.87500000000000 132.905 > 8 85 Cs 0.16666666666667 0.74553369333534 0.12500000000000 132.905 > 7 86 Cs 0.50000000000000 0.74553369333534 0.12500000000000 132.905 > 7 87 Cs 0.83333333333333 0.74553369333534 0.12500000000000 132.905 > 7 88 Cs 0.16666666666667 0.74553369333534 0.62500000000000 132.905 > 7 89 Cs 0.50000000000000 0.74553369333534 0.62500000000000 132.905 > 7 90 Cs 0.83333333333333 0.74553369333534 0.62500000000000 132.905 > 7 91 Cs 0.00000000000000 0.75446630666466 0.37500000000000 132.905 > 8 92 Cs 0.33333333333333 0.75446630666466 0.37500000000000 132.905 > 8 93 Cs 0.66666666666667 0.75446630666466 0.37500000000000 132.905 > 8 94 Cs 0.00000000000000 0.75446630666466 0.87500000000000 132.905 > 8 95 Cs 0.33333333333333 0.75446630666466 0.87500000000000 132.905 > 8 96 Cs 0.66666666666667 0.75446630666466 0.87500000000000 132.905 > 8 *97 La 0.16666666666667 0.00000000000000 0.00000000000000 138.905 > 9 98 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 > 9 99 La 0.83333333333333 0.00000000000000 0.00000000000000 138.905 > 9 100 La 0.16666666666667 0.00000000000000 0.50000000000000 138.905 > 9 101 La 0.50000000000000 0.00000000000000 0.50000000000000 138.905 > 9 102 La 0.83333333333333 0.00000000000000 0.50000000000000 138.905 > 9 103 La 0.16666666666667 0.00000000000000 0.25000000000000 138.905 > 10 104 La 0.50000000000000 0.00000000000000 0.25000000000000 138.905 > 10 105 La 0.83333333333333 0.00000000000000 0.25000000000000 138.905 > 10 106 La 0.16666666666667 0.00000000000000 0.75000000000000 138.905 > 10 107 La 0.50000000000000 0.00000000000000 0.75000000000000 138.905 > 10 108 La 0.83333333333333 0.00000000000000 0.75000000000000 138.905 > 10 109 La 0.00000000000000 0.50000000000000 0.00000000000000 138.905 > 9 110 La 0.33333333333333 0.50000000000000 0.00000000000000 138.905 > 9 111 La 0.66666666666667 0.50000000000000 0.00000000000000 138.905 > 9 112 La 0.00000000000000 0.50000000000000 0.50000000000000 138.905 > 9 113 La 0.33333333333333 0.50000000000000 0.50000000000000 138.905 > 9 114 La 0.66666666666667 0.50000000000000 0.50000000000000 138.905 > 9 115 La 0.00000000000000 0.50000000000000 0.25000000000000 138.905 > 10 116 La 0.33333333333333 0.50000000000000 0.25000000000000 138.905 > 10 117 La 0.66666666666667 0.50000000000000 0.25000000000000 138.905 > 10 118 La 0.00000000000000 0.50000000000000 0.75000000000000 138.905 > 10 119 La 0.33333333333333 0.50000000000000 0.75000000000000 138.905 > 10 120 La 0.66666666666667 0.50000000000000 0.75000000000000 138.905 > 10 *121 Hg 0.00000000000000 0.04018154573611 0.37500000000000 200.590 > 11 122 Hg 0.33333333333333 0.04018154573611 0.37500000000000 200.590 > 11 123 Hg 0.66666666666667 0.04018154573611 0.37500000000000 200.590 > 11 124 Hg 0.00000000000000 0.04018154573611 0.87500000000000 200.590 > 11 125 Hg 0.33333333333333 0.04018154573611 0.87500000000000 200.590 > 11 126 Hg 0.66666666666667 0.04018154573611 0.87500000000000 200.590 > 11 127 Hg 0.16666666666667 0.45981845426389 0.12500000000000 200.590 > 12 128 Hg 0.50000000000000 0.45981845426389 0.12500000000000 200.590 > 12 129 Hg 0.83333333333333 0.45981845426389 0.12500000000000 200.590 > 12 130 Hg 0.16666666666667 0.45981845426389 0.62500000000000 200.590 > 12 131 Hg 0.50000000000000 0.45981845426389 0.62500000000000 200.590 > 12 132 Hg 0.83333333333333 0.45981845426389 0.62500000000000 200.590 > 12 133 Hg 0.16666666666667 0.54018154573611 0.37500000000000 200.590 > 11 134 Hg 0.50000000000000 0.54018154573611 0.37500000000000 200.590 > 11 135 Hg 0.83333333333333 0.54018154573611 0.37500000000000 200.590 > 11 136 Hg 0.16666666666667 0.54018154573611 0.87500000000000 200.590 > 11 137 Hg 0.50000000000000 0.54018154573611 0.87500000000000 200.590 > 11 138 Hg 0.83333333333333 0.54018154573611 0.87500000000000 200.590 > 11 139 Hg 0.00000000000000 0.95981845426389 0.12500000000000 200.590 > 12 140 Hg 0.33333333333333 0.95981845426389 0.12500000000000 200.590 > 12 141 Hg 0.66666666666667 0.95981845426389 0.12500000000000 200.590 > 12 142 Hg 0.00000000000000 0.95981845426389 0.62500000000000 200.590 > 12 143 Hg 0.33333333333333 0.95981845426389 0.62500000000000 200.590 > 12 144 Hg 0.66666666666667 0.95981845426389 0.62500000000000 200.590 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2408687 0.0000000 0.0000000 0.0000000 4.8242891 0.0000000 0.0000000 0.0000000 7.1745837 -------------------------- Born effective charges -------------------------- 1 Se -2.6897851 0.0000000 0.0000000 0.0000000 -1.2330897 0.0000000 0.0000000 0.0000000 -3.3455325 2 Se -2.6897851 0.0000000 0.0000000 0.0000000 -1.2330897 0.0000000 0.0000000 0.0000000 -3.3455325 3 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 0.0105089 0.0000000 0.2160440 -2.2522325 4 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 -0.0105089 0.0000000 -0.2160440 -2.2522325 5 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 -0.0105089 0.0000000 -0.2160440 -2.2522325 6 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 0.0105089 0.0000000 0.2160440 -2.2522325 7 Cs 1.1890198 0.0000000 0.0000000 0.0000000 1.9073648 0.0000000 0.0000000 0.0000000 1.3307633 8 Cs 1.1890198 0.0000000 0.0000000 0.0000000 1.9073648 0.0000000 0.0000000 0.0000000 1.3307633 9 La 4.5194989 0.0000000 0.0000000 0.0000000 1.5589088 -0.4902449 0.0000000 -0.8247342 4.5309020 10 La 4.5194989 0.0000000 0.0000000 0.0000000 1.5589088 0.4902449 0.0000000 0.8247342 4.5309020 11 Hg 2.2630144 0.0000000 0.0000000 0.0000000 0.9709610 0.0000000 0.0000000 0.0000000 1.9883322 12 Hg 2.2630144 0.0000000 0.0000000 0.0000000 0.9709610 0.0000000 0.0000000 0.0000000 1.9883322 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 240 - Time: 1.719 Solver_block: 200 / 240 - Time: 1.651 Solver_block: 240 / 240 - Time: 0.750 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.191 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 9324/9324 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1140 Number of blocks in projector: 1140 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: 256 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 200 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 160 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 124 Use standard eigh solver. Tree of FC basis block matrices: - (1140, 1121), data: False |-- (124, 124), data: True |-- (160, 160), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (200, 195), data: True |-- (256, 252), 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 2026-01-07 23:53:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:53:27]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.194905725000000 -7.860803970000000 0.000000000000000 b 2.194905725000000 7.860803970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.305903710000001 Atomic positions (fractional): 1 Se 0.56537757118585 0.43462242881415 0.75000000000000 78.960 2 Se 0.43462242881415 0.56537757118585 0.25000000000000 78.960 3 Se 0.12510661971485 0.87489338028515 0.05156500320990 78.960 4 Se 0.12510661971485 0.87489338028515 0.44843499679010 78.960 5 Se 0.87489338028515 0.12510661971485 0.55156500320990 78.960 6 Se 0.87489338028515 0.12510661971485 0.94843499679010 78.960 7 Cs 0.75446630666466 0.24553369333534 0.25000000000000 132.905 8 Cs 0.24553369333534 0.75446630666466 0.75000000000000 132.905 9 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 10 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 11 Hg 0.95981845426389 0.04018154573611 0.75000000000000 200.590 12 Hg 0.04018154573611 0.95981845426389 0.25000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.169434350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.721607940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.611807420000002 Atomic positions (fractional): 1 Se 0.00000000000000 0.43462242881415 0.37500000000000 78.960 > 1 2 Se 0.33333333333333 0.43462242881415 0.37500000000000 78.960 > 1 3 Se 0.66666666666667 0.43462242881415 0.37500000000000 78.960 > 1 4 Se 0.00000000000000 0.43462242881415 0.87500000000000 78.960 > 1 5 Se 0.33333333333333 0.43462242881415 0.87500000000000 78.960 > 1 6 Se 0.66666666666667 0.43462242881415 0.87500000000000 78.960 > 1 7 Se 0.16666666666667 0.06537757118585 0.12500000000000 78.960 > 7 8 Se 0.50000000000000 0.06537757118585 0.12500000000000 78.960 > 7 9 Se 0.83333333333333 0.06537757118585 0.12500000000000 78.960 > 7 10 Se 0.16666666666667 0.06537757118585 0.62500000000000 78.960 > 7 11 Se 0.50000000000000 0.06537757118585 0.62500000000000 78.960 > 7 12 Se 0.83333333333333 0.06537757118585 0.62500000000000 78.960 > 7 13 Se 0.16666666666667 0.37489338028515 0.02578250160495 78.960 > 13 14 Se 0.50000000000000 0.37489338028515 0.02578250160495 78.960 > 13 15 Se 0.83333333333333 0.37489338028515 0.02578250160495 78.960 > 13 16 Se 0.16666666666667 0.37489338028515 0.52578250160495 78.960 > 13 17 Se 0.50000000000000 0.37489338028515 0.52578250160495 78.960 > 13 18 Se 0.83333333333333 0.37489338028515 0.52578250160495 78.960 > 13 19 Se 0.16666666666667 0.37489338028515 0.22421749839505 78.960 > 19 20 Se 0.50000000000000 0.37489338028515 0.22421749839505 78.960 > 19 21 Se 0.83333333333333 0.37489338028515 0.22421749839505 78.960 > 19 22 Se 0.16666666666667 0.37489338028515 0.72421749839505 78.960 > 19 23 Se 0.50000000000000 0.37489338028515 0.72421749839505 78.960 > 19 24 Se 0.83333333333333 0.37489338028515 0.72421749839505 78.960 > 19 25 Se 0.00000000000000 0.12510661971485 0.27578250160495 78.960 > 25 26 Se 0.33333333333333 0.12510661971485 0.27578250160495 78.960 > 25 27 Se 0.66666666666667 0.12510661971485 0.27578250160495 78.960 > 25 28 Se 0.00000000000000 0.12510661971485 0.77578250160495 78.960 > 25 29 Se 0.33333333333333 0.12510661971485 0.77578250160495 78.960 > 25 30 Se 0.66666666666667 0.12510661971485 0.77578250160495 78.960 > 25 31 Se 0.00000000000000 0.12510661971485 0.47421749839505 78.960 > 31 32 Se 0.33333333333333 0.12510661971485 0.47421749839505 78.960 > 31 33 Se 0.66666666666667 0.12510661971485 0.47421749839505 78.960 > 31 34 Se 0.00000000000000 0.12510661971485 0.97421749839505 78.960 > 31 35 Se 0.33333333333333 0.12510661971485 0.97421749839505 78.960 > 31 36 Se 0.66666666666667 0.12510661971485 0.97421749839505 78.960 > 31 37 Se 0.16666666666667 0.93462242881415 0.37500000000000 78.960 > 1 38 Se 0.50000000000000 0.93462242881415 0.37500000000000 78.960 > 1 39 Se 0.83333333333333 0.93462242881415 0.37500000000000 78.960 > 1 40 Se 0.16666666666667 0.93462242881415 0.87500000000000 78.960 > 1 41 Se 0.50000000000000 0.93462242881415 0.87500000000000 78.960 > 1 42 Se 0.83333333333333 0.93462242881415 0.87500000000000 78.960 > 1 43 Se 0.00000000000000 0.56537757118585 0.12500000000000 78.960 > 7 44 Se 0.33333333333333 0.56537757118585 0.12500000000000 78.960 > 7 45 Se 0.66666666666667 0.56537757118585 0.12500000000000 78.960 > 7 46 Se 0.00000000000000 0.56537757118585 0.62500000000000 78.960 > 7 47 Se 0.33333333333333 0.56537757118585 0.62500000000000 78.960 > 7 48 Se 0.66666666666667 0.56537757118585 0.62500000000000 78.960 > 7 49 Se 0.00000000000000 0.87489338028515 0.02578250160495 78.960 > 13 50 Se 0.33333333333333 0.87489338028515 0.02578250160495 78.960 > 13 51 Se 0.66666666666667 0.87489338028515 0.02578250160495 78.960 > 13 52 Se 0.00000000000000 0.87489338028515 0.52578250160495 78.960 > 13 53 Se 0.33333333333333 0.87489338028515 0.52578250160495 78.960 > 13 54 Se 0.66666666666667 0.87489338028515 0.52578250160495 78.960 > 13 55 Se 0.00000000000000 0.87489338028515 0.22421749839505 78.960 > 19 56 Se 0.33333333333333 0.87489338028515 0.22421749839505 78.960 > 19 57 Se 0.66666666666667 0.87489338028515 0.22421749839505 78.960 > 19 58 Se 0.00000000000000 0.87489338028515 0.72421749839505 78.960 > 19 59 Se 0.33333333333333 0.87489338028515 0.72421749839505 78.960 > 19 60 Se 0.66666666666667 0.87489338028515 0.72421749839505 78.960 > 19 61 Se 0.16666666666667 0.62510661971485 0.27578250160495 78.960 > 25 62 Se 0.50000000000000 0.62510661971485 0.27578250160495 78.960 > 25 63 Se 0.83333333333333 0.62510661971485 0.27578250160495 78.960 > 25 64 Se 0.16666666666667 0.62510661971485 0.77578250160495 78.960 > 25 65 Se 0.50000000000000 0.62510661971485 0.77578250160495 78.960 > 25 66 Se 0.83333333333333 0.62510661971485 0.77578250160495 78.960 > 25 67 Se 0.16666666666667 0.62510661971485 0.47421749839505 78.960 > 31 68 Se 0.50000000000000 0.62510661971485 0.47421749839505 78.960 > 31 69 Se 0.83333333333333 0.62510661971485 0.47421749839505 78.960 > 31 70 Se 0.16666666666667 0.62510661971485 0.97421749839505 78.960 > 31 71 Se 0.50000000000000 0.62510661971485 0.97421749839505 78.960 > 31 72 Se 0.83333333333333 0.62510661971485 0.97421749839505 78.960 > 31 73 Cs 0.00000000000000 0.24553369333534 0.12500000000000 132.905 > 73 74 Cs 0.33333333333333 0.24553369333534 0.12500000000000 132.905 > 73 75 Cs 0.66666666666667 0.24553369333534 0.12500000000000 132.905 > 73 76 Cs 0.00000000000000 0.24553369333534 0.62500000000000 132.905 > 73 77 Cs 0.33333333333333 0.24553369333534 0.62500000000000 132.905 > 73 78 Cs 0.66666666666667 0.24553369333534 0.62500000000000 132.905 > 73 79 Cs 0.16666666666667 0.25446630666466 0.37500000000000 132.905 > 79 80 Cs 0.50000000000000 0.25446630666466 0.37500000000000 132.905 > 79 81 Cs 0.83333333333333 0.25446630666466 0.37500000000000 132.905 > 79 82 Cs 0.16666666666667 0.25446630666466 0.87500000000000 132.905 > 79 83 Cs 0.50000000000000 0.25446630666466 0.87500000000000 132.905 > 79 84 Cs 0.83333333333333 0.25446630666466 0.87500000000000 132.905 > 79 85 Cs 0.16666666666667 0.74553369333534 0.12500000000000 132.905 > 73 86 Cs 0.50000000000000 0.74553369333534 0.12500000000000 132.905 > 73 87 Cs 0.83333333333333 0.74553369333534 0.12500000000000 132.905 > 73 88 Cs 0.16666666666667 0.74553369333534 0.62500000000000 132.905 > 73 89 Cs 0.50000000000000 0.74553369333534 0.62500000000000 132.905 > 73 90 Cs 0.83333333333333 0.74553369333534 0.62500000000000 132.905 > 73 91 Cs 0.00000000000000 0.75446630666466 0.37500000000000 132.905 > 79 92 Cs 0.33333333333333 0.75446630666466 0.37500000000000 132.905 > 79 93 Cs 0.66666666666667 0.75446630666466 0.37500000000000 132.905 > 79 94 Cs 0.00000000000000 0.75446630666466 0.87500000000000 132.905 > 79 95 Cs 0.33333333333333 0.75446630666466 0.87500000000000 132.905 > 79 96 Cs 0.66666666666667 0.75446630666466 0.87500000000000 132.905 > 79 97 La 0.16666666666667 0.00000000000000 0.00000000000000 138.905 > 97 98 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 > 97 99 La 0.83333333333333 0.00000000000000 0.00000000000000 138.905 > 97 100 La 0.16666666666667 0.00000000000000 0.50000000000000 138.905 > 97 101 La 0.50000000000000 0.00000000000000 0.50000000000000 138.905 > 97 102 La 0.83333333333333 0.00000000000000 0.50000000000000 138.905 > 97 103 La 0.16666666666667 0.00000000000000 0.25000000000000 138.905 > 103 104 La 0.50000000000000 0.00000000000000 0.25000000000000 138.905 > 103 105 La 0.83333333333333 0.00000000000000 0.25000000000000 138.905 > 103 106 La 0.16666666666667 0.00000000000000 0.75000000000000 138.905 > 103 107 La 0.50000000000000 0.00000000000000 0.75000000000000 138.905 > 103 108 La 0.83333333333333 0.00000000000000 0.75000000000000 138.905 > 103 109 La 0.00000000000000 0.50000000000000 0.00000000000000 138.905 > 97 110 La 0.33333333333333 0.50000000000000 0.00000000000000 138.905 > 97 111 La 0.66666666666667 0.50000000000000 0.00000000000000 138.905 > 97 112 La 0.00000000000000 0.50000000000000 0.50000000000000 138.905 > 97 113 La 0.33333333333333 0.50000000000000 0.50000000000000 138.905 > 97 114 La 0.66666666666667 0.50000000000000 0.50000000000000 138.905 > 97 115 La 0.00000000000000 0.50000000000000 0.25000000000000 138.905 > 103 116 La 0.33333333333333 0.50000000000000 0.25000000000000 138.905 > 103 117 La 0.66666666666667 0.50000000000000 0.25000000000000 138.905 > 103 118 La 0.00000000000000 0.50000000000000 0.75000000000000 138.905 > 103 119 La 0.33333333333333 0.50000000000000 0.75000000000000 138.905 > 103 120 La 0.66666666666667 0.50000000000000 0.75000000000000 138.905 > 103 121 Hg 0.00000000000000 0.04018154573611 0.37500000000000 200.590 > 121 122 Hg 0.33333333333333 0.04018154573611 0.37500000000000 200.590 > 121 123 Hg 0.66666666666667 0.04018154573611 0.37500000000000 200.590 > 121 124 Hg 0.00000000000000 0.04018154573611 0.87500000000000 200.590 > 121 125 Hg 0.33333333333333 0.04018154573611 0.87500000000000 200.590 > 121 126 Hg 0.66666666666667 0.04018154573611 0.87500000000000 200.590 > 121 127 Hg 0.16666666666667 0.45981845426389 0.12500000000000 200.590 > 127 128 Hg 0.50000000000000 0.45981845426389 0.12500000000000 200.590 > 127 129 Hg 0.83333333333333 0.45981845426389 0.12500000000000 200.590 > 127 130 Hg 0.16666666666667 0.45981845426389 0.62500000000000 200.590 > 127 131 Hg 0.50000000000000 0.45981845426389 0.62500000000000 200.590 > 127 132 Hg 0.83333333333333 0.45981845426389 0.62500000000000 200.590 > 127 133 Hg 0.16666666666667 0.54018154573611 0.37500000000000 200.590 > 121 134 Hg 0.50000000000000 0.54018154573611 0.37500000000000 200.590 > 121 135 Hg 0.83333333333333 0.54018154573611 0.37500000000000 200.590 > 121 136 Hg 0.16666666666667 0.54018154573611 0.87500000000000 200.590 > 121 137 Hg 0.50000000000000 0.54018154573611 0.87500000000000 200.590 > 121 138 Hg 0.83333333333333 0.54018154573611 0.87500000000000 200.590 > 121 139 Hg 0.00000000000000 0.95981845426389 0.12500000000000 200.590 > 127 140 Hg 0.33333333333333 0.95981845426389 0.12500000000000 200.590 > 127 141 Hg 0.66666666666667 0.95981845426389 0.12500000000000 200.590 > 127 142 Hg 0.00000000000000 0.95981845426389 0.62500000000000 200.590 > 127 143 Hg 0.33333333333333 0.95981845426389 0.62500000000000 200.590 > 127 144 Hg 0.66666666666667 0.95981845426389 0.62500000000000 200.590 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2408687 0.0000000 0.0000000 0.0000000 4.8242891 0.0000000 0.0000000 0.0000000 7.1745837 -------------------------- Born effective charges -------------------------- 1 Se -2.6897851 0.0000000 0.0000000 0.0000000 -1.2330897 0.0000000 0.0000000 0.0000000 -3.3455325 2 Se -2.6897851 0.0000000 0.0000000 0.0000000 -1.2330897 0.0000000 0.0000000 0.0000000 -3.3455325 3 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 0.0105089 0.0000000 0.2160440 -2.2522325 4 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 -0.0105089 0.0000000 -0.2160440 -2.2522325 5 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 -0.0105089 0.0000000 -0.2160440 -2.2522325 6 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 0.0105089 0.0000000 0.2160440 -2.2522325 7 Cs 1.1890198 0.0000000 0.0000000 0.0000000 1.9073648 0.0000000 0.0000000 0.0000000 1.3307633 8 Cs 1.1890198 0.0000000 0.0000000 0.0000000 1.9073648 0.0000000 0.0000000 0.0000000 1.3307633 9 La 4.5194989 0.0000000 0.0000000 0.0000000 1.5589088 -0.4902449 0.0000000 -0.8247342 4.5309020 10 La 4.5194989 0.0000000 0.0000000 0.0000000 1.5589088 0.4902449 0.0000000 0.8247342 4.5309020 11 Hg 2.2630144 0.0000000 0.0000000 0.0000000 0.9709610 0.0000000 0.0000000 0.0000000 1.9883322 12 Hg 2.2630144 0.0000000 0.0000000 0.0000000 0.9709610 0.0000000 0.0000000 0.0000000 1.9883322 ---------------------------------------------------------------------------- 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:53:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:53:48]------------------------- 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): [3 1 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmcm (63) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.194905725000000 -7.860803970000000 0.000000000000000 b 2.194905725000000 7.860803970000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.305903710000001 Atomic positions (fractional): 1 Se 0.56537757118585 0.43462242881415 0.75000000000000 78.960 2 Se 0.43462242881415 0.56537757118585 0.25000000000000 78.960 3 Se 0.12510661971485 0.87489338028515 0.05156500320990 78.960 4 Se 0.12510661971485 0.87489338028515 0.44843499679010 78.960 5 Se 0.87489338028515 0.12510661971485 0.55156500320990 78.960 6 Se 0.87489338028515 0.12510661971485 0.94843499679010 78.960 7 Cs 0.75446630666466 0.24553369333534 0.25000000000000 132.905 8 Cs 0.24553369333534 0.75446630666466 0.75000000000000 132.905 9 La 0.50000000000000 0.50000000000000 0.00000000000000 138.905 10 La 0.50000000000000 0.50000000000000 0.50000000000000 138.905 11 Hg 0.95981845426389 0.04018154573611 0.75000000000000 200.590 12 Hg 0.04018154573611 0.95981845426389 0.25000000000000 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.169434350000000 0.000000000000000 0.000000000000000 b 0.000000000000000 15.721607940000000 0.000000000000000 c 0.000000000000000 0.000000000000000 22.611807420000002 Atomic positions (fractional): 1 Se 0.00000000000000 0.43462242881415 0.37500000000000 78.960 > 1 2 Se 0.33333333333333 0.43462242881415 0.37500000000000 78.960 > 1 3 Se 0.66666666666667 0.43462242881415 0.37500000000000 78.960 > 1 4 Se 0.00000000000000 0.43462242881415 0.87500000000000 78.960 > 1 5 Se 0.33333333333333 0.43462242881415 0.87500000000000 78.960 > 1 6 Se 0.66666666666667 0.43462242881415 0.87500000000000 78.960 > 1 7 Se 0.16666666666667 0.06537757118585 0.12500000000000 78.960 > 7 8 Se 0.50000000000000 0.06537757118585 0.12500000000000 78.960 > 7 9 Se 0.83333333333333 0.06537757118585 0.12500000000000 78.960 > 7 10 Se 0.16666666666667 0.06537757118585 0.62500000000000 78.960 > 7 11 Se 0.50000000000000 0.06537757118585 0.62500000000000 78.960 > 7 12 Se 0.83333333333333 0.06537757118585 0.62500000000000 78.960 > 7 13 Se 0.16666666666667 0.37489338028515 0.02578250160495 78.960 > 13 14 Se 0.50000000000000 0.37489338028515 0.02578250160495 78.960 > 13 15 Se 0.83333333333333 0.37489338028515 0.02578250160495 78.960 > 13 16 Se 0.16666666666667 0.37489338028515 0.52578250160495 78.960 > 13 17 Se 0.50000000000000 0.37489338028515 0.52578250160495 78.960 > 13 18 Se 0.83333333333333 0.37489338028515 0.52578250160495 78.960 > 13 19 Se 0.16666666666667 0.37489338028515 0.22421749839505 78.960 > 19 20 Se 0.50000000000000 0.37489338028515 0.22421749839505 78.960 > 19 21 Se 0.83333333333333 0.37489338028515 0.22421749839505 78.960 > 19 22 Se 0.16666666666667 0.37489338028515 0.72421749839505 78.960 > 19 23 Se 0.50000000000000 0.37489338028515 0.72421749839505 78.960 > 19 24 Se 0.83333333333333 0.37489338028515 0.72421749839505 78.960 > 19 25 Se 0.00000000000000 0.12510661971485 0.27578250160495 78.960 > 25 26 Se 0.33333333333333 0.12510661971485 0.27578250160495 78.960 > 25 27 Se 0.66666666666667 0.12510661971485 0.27578250160495 78.960 > 25 28 Se 0.00000000000000 0.12510661971485 0.77578250160495 78.960 > 25 29 Se 0.33333333333333 0.12510661971485 0.77578250160495 78.960 > 25 30 Se 0.66666666666667 0.12510661971485 0.77578250160495 78.960 > 25 31 Se 0.00000000000000 0.12510661971485 0.47421749839505 78.960 > 31 32 Se 0.33333333333333 0.12510661971485 0.47421749839505 78.960 > 31 33 Se 0.66666666666667 0.12510661971485 0.47421749839505 78.960 > 31 34 Se 0.00000000000000 0.12510661971485 0.97421749839505 78.960 > 31 35 Se 0.33333333333333 0.12510661971485 0.97421749839505 78.960 > 31 36 Se 0.66666666666667 0.12510661971485 0.97421749839505 78.960 > 31 37 Se 0.16666666666667 0.93462242881415 0.37500000000000 78.960 > 1 38 Se 0.50000000000000 0.93462242881415 0.37500000000000 78.960 > 1 39 Se 0.83333333333333 0.93462242881415 0.37500000000000 78.960 > 1 40 Se 0.16666666666667 0.93462242881415 0.87500000000000 78.960 > 1 41 Se 0.50000000000000 0.93462242881415 0.87500000000000 78.960 > 1 42 Se 0.83333333333333 0.93462242881415 0.87500000000000 78.960 > 1 43 Se 0.00000000000000 0.56537757118585 0.12500000000000 78.960 > 7 44 Se 0.33333333333333 0.56537757118585 0.12500000000000 78.960 > 7 45 Se 0.66666666666667 0.56537757118585 0.12500000000000 78.960 > 7 46 Se 0.00000000000000 0.56537757118585 0.62500000000000 78.960 > 7 47 Se 0.33333333333333 0.56537757118585 0.62500000000000 78.960 > 7 48 Se 0.66666666666667 0.56537757118585 0.62500000000000 78.960 > 7 49 Se 0.00000000000000 0.87489338028515 0.02578250160495 78.960 > 13 50 Se 0.33333333333333 0.87489338028515 0.02578250160495 78.960 > 13 51 Se 0.66666666666667 0.87489338028515 0.02578250160495 78.960 > 13 52 Se 0.00000000000000 0.87489338028515 0.52578250160495 78.960 > 13 53 Se 0.33333333333333 0.87489338028515 0.52578250160495 78.960 > 13 54 Se 0.66666666666667 0.87489338028515 0.52578250160495 78.960 > 13 55 Se 0.00000000000000 0.87489338028515 0.22421749839505 78.960 > 19 56 Se 0.33333333333333 0.87489338028515 0.22421749839505 78.960 > 19 57 Se 0.66666666666667 0.87489338028515 0.22421749839505 78.960 > 19 58 Se 0.00000000000000 0.87489338028515 0.72421749839505 78.960 > 19 59 Se 0.33333333333333 0.87489338028515 0.72421749839505 78.960 > 19 60 Se 0.66666666666667 0.87489338028515 0.72421749839505 78.960 > 19 61 Se 0.16666666666667 0.62510661971485 0.27578250160495 78.960 > 25 62 Se 0.50000000000000 0.62510661971485 0.27578250160495 78.960 > 25 63 Se 0.83333333333333 0.62510661971485 0.27578250160495 78.960 > 25 64 Se 0.16666666666667 0.62510661971485 0.77578250160495 78.960 > 25 65 Se 0.50000000000000 0.62510661971485 0.77578250160495 78.960 > 25 66 Se 0.83333333333333 0.62510661971485 0.77578250160495 78.960 > 25 67 Se 0.16666666666667 0.62510661971485 0.47421749839505 78.960 > 31 68 Se 0.50000000000000 0.62510661971485 0.47421749839505 78.960 > 31 69 Se 0.83333333333333 0.62510661971485 0.47421749839505 78.960 > 31 70 Se 0.16666666666667 0.62510661971485 0.97421749839505 78.960 > 31 71 Se 0.50000000000000 0.62510661971485 0.97421749839505 78.960 > 31 72 Se 0.83333333333333 0.62510661971485 0.97421749839505 78.960 > 31 73 Cs 0.00000000000000 0.24553369333534 0.12500000000000 132.905 > 73 74 Cs 0.33333333333333 0.24553369333534 0.12500000000000 132.905 > 73 75 Cs 0.66666666666667 0.24553369333534 0.12500000000000 132.905 > 73 76 Cs 0.00000000000000 0.24553369333534 0.62500000000000 132.905 > 73 77 Cs 0.33333333333333 0.24553369333534 0.62500000000000 132.905 > 73 78 Cs 0.66666666666667 0.24553369333534 0.62500000000000 132.905 > 73 79 Cs 0.16666666666667 0.25446630666466 0.37500000000000 132.905 > 79 80 Cs 0.50000000000000 0.25446630666466 0.37500000000000 132.905 > 79 81 Cs 0.83333333333333 0.25446630666466 0.37500000000000 132.905 > 79 82 Cs 0.16666666666667 0.25446630666466 0.87500000000000 132.905 > 79 83 Cs 0.50000000000000 0.25446630666466 0.87500000000000 132.905 > 79 84 Cs 0.83333333333333 0.25446630666466 0.87500000000000 132.905 > 79 85 Cs 0.16666666666667 0.74553369333534 0.12500000000000 132.905 > 73 86 Cs 0.50000000000000 0.74553369333534 0.12500000000000 132.905 > 73 87 Cs 0.83333333333333 0.74553369333534 0.12500000000000 132.905 > 73 88 Cs 0.16666666666667 0.74553369333534 0.62500000000000 132.905 > 73 89 Cs 0.50000000000000 0.74553369333534 0.62500000000000 132.905 > 73 90 Cs 0.83333333333333 0.74553369333534 0.62500000000000 132.905 > 73 91 Cs 0.00000000000000 0.75446630666466 0.37500000000000 132.905 > 79 92 Cs 0.33333333333333 0.75446630666466 0.37500000000000 132.905 > 79 93 Cs 0.66666666666667 0.75446630666466 0.37500000000000 132.905 > 79 94 Cs 0.00000000000000 0.75446630666466 0.87500000000000 132.905 > 79 95 Cs 0.33333333333333 0.75446630666466 0.87500000000000 132.905 > 79 96 Cs 0.66666666666667 0.75446630666466 0.87500000000000 132.905 > 79 97 La 0.16666666666667 0.00000000000000 0.00000000000000 138.905 > 97 98 La 0.50000000000000 0.00000000000000 0.00000000000000 138.905 > 97 99 La 0.83333333333333 0.00000000000000 0.00000000000000 138.905 > 97 100 La 0.16666666666667 0.00000000000000 0.50000000000000 138.905 > 97 101 La 0.50000000000000 0.00000000000000 0.50000000000000 138.905 > 97 102 La 0.83333333333333 0.00000000000000 0.50000000000000 138.905 > 97 103 La 0.16666666666667 0.00000000000000 0.25000000000000 138.905 > 103 104 La 0.50000000000000 0.00000000000000 0.25000000000000 138.905 > 103 105 La 0.83333333333333 0.00000000000000 0.25000000000000 138.905 > 103 106 La 0.16666666666667 0.00000000000000 0.75000000000000 138.905 > 103 107 La 0.50000000000000 0.00000000000000 0.75000000000000 138.905 > 103 108 La 0.83333333333333 0.00000000000000 0.75000000000000 138.905 > 103 109 La 0.00000000000000 0.50000000000000 0.00000000000000 138.905 > 97 110 La 0.33333333333333 0.50000000000000 0.00000000000000 138.905 > 97 111 La 0.66666666666667 0.50000000000000 0.00000000000000 138.905 > 97 112 La 0.00000000000000 0.50000000000000 0.50000000000000 138.905 > 97 113 La 0.33333333333333 0.50000000000000 0.50000000000000 138.905 > 97 114 La 0.66666666666667 0.50000000000000 0.50000000000000 138.905 > 97 115 La 0.00000000000000 0.50000000000000 0.25000000000000 138.905 > 103 116 La 0.33333333333333 0.50000000000000 0.25000000000000 138.905 > 103 117 La 0.66666666666667 0.50000000000000 0.25000000000000 138.905 > 103 118 La 0.00000000000000 0.50000000000000 0.75000000000000 138.905 > 103 119 La 0.33333333333333 0.50000000000000 0.75000000000000 138.905 > 103 120 La 0.66666666666667 0.50000000000000 0.75000000000000 138.905 > 103 121 Hg 0.00000000000000 0.04018154573611 0.37500000000000 200.590 > 121 122 Hg 0.33333333333333 0.04018154573611 0.37500000000000 200.590 > 121 123 Hg 0.66666666666667 0.04018154573611 0.37500000000000 200.590 > 121 124 Hg 0.00000000000000 0.04018154573611 0.87500000000000 200.590 > 121 125 Hg 0.33333333333333 0.04018154573611 0.87500000000000 200.590 > 121 126 Hg 0.66666666666667 0.04018154573611 0.87500000000000 200.590 > 121 127 Hg 0.16666666666667 0.45981845426389 0.12500000000000 200.590 > 127 128 Hg 0.50000000000000 0.45981845426389 0.12500000000000 200.590 > 127 129 Hg 0.83333333333333 0.45981845426389 0.12500000000000 200.590 > 127 130 Hg 0.16666666666667 0.45981845426389 0.62500000000000 200.590 > 127 131 Hg 0.50000000000000 0.45981845426389 0.62500000000000 200.590 > 127 132 Hg 0.83333333333333 0.45981845426389 0.62500000000000 200.590 > 127 133 Hg 0.16666666666667 0.54018154573611 0.37500000000000 200.590 > 121 134 Hg 0.50000000000000 0.54018154573611 0.37500000000000 200.590 > 121 135 Hg 0.83333333333333 0.54018154573611 0.37500000000000 200.590 > 121 136 Hg 0.16666666666667 0.54018154573611 0.87500000000000 200.590 > 121 137 Hg 0.50000000000000 0.54018154573611 0.87500000000000 200.590 > 121 138 Hg 0.83333333333333 0.54018154573611 0.87500000000000 200.590 > 121 139 Hg 0.00000000000000 0.95981845426389 0.12500000000000 200.590 > 127 140 Hg 0.33333333333333 0.95981845426389 0.12500000000000 200.590 > 127 141 Hg 0.66666666666667 0.95981845426389 0.12500000000000 200.590 > 127 142 Hg 0.00000000000000 0.95981845426389 0.62500000000000 200.590 > 127 143 Hg 0.33333333333333 0.95981845426389 0.62500000000000 200.590 > 127 144 Hg 0.66666666666667 0.95981845426389 0.62500000000000 200.590 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.2408687 0.0000000 0.0000000 0.0000000 4.8242891 0.0000000 0.0000000 0.0000000 7.1745837 -------------------------- Born effective charges -------------------------- 1 Se -2.6897851 0.0000000 0.0000000 0.0000000 -1.2330897 0.0000000 0.0000000 0.0000000 -3.3455325 2 Se -2.6897851 0.0000000 0.0000000 0.0000000 -1.2330897 0.0000000 0.0000000 0.0000000 -3.3455325 3 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 0.0105089 0.0000000 0.2160440 -2.2522325 4 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 -0.0105089 0.0000000 -0.2160440 -2.2522325 5 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 -0.0105089 0.0000000 -0.2160440 -2.2522325 6 Se -2.6408740 0.0000000 0.0000000 0.0000000 -1.6020725 0.0105089 0.0000000 0.2160440 -2.2522325 7 Cs 1.1890198 0.0000000 0.0000000 0.0000000 1.9073648 0.0000000 0.0000000 0.0000000 1.3307633 8 Cs 1.1890198 0.0000000 0.0000000 0.0000000 1.9073648 0.0000000 0.0000000 0.0000000 1.3307633 9 La 4.5194989 0.0000000 0.0000000 0.0000000 1.5589088 -0.4902449 0.0000000 -0.8247342 4.5309020 10 La 4.5194989 0.0000000 0.0000000 0.0000000 1.5589088 0.4902449 0.0000000 0.8247342 4.5309020 11 Hg 2.2630144 0.0000000 0.0000000 0.0000000 0.9709610 0.0000000 0.0000000 0.0000000 1.9883322 12 Hg 2.2630144 0.0000000 0.0000000 0.0000000 0.9709610 0.0000000 0.0000000 0.0000000 1.9883322 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xyx) -0.00000000 (xyx) -0.00000000 (xxy) 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 ... [ 12 12 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.57, Number of G-points: 303, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/129) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.843 ( 0.000 0.000 0.000) 0.000 0.967 ( 0.000 0.000 0.000) 0.000 1.049 ( 0.000 0.000 0.000) 0.000 1.227 ( 0.000 0.000 0.000) 0.000 1.394 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.494 ( 0.000 0.000 0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.642 ( 0.000 0.000 0.000) 0.000 1.873 ( 0.000 0.000 0.000) 0.000 1.981 ( 0.000 0.000 0.000) 0.000 2.304 ( 0.000 0.000 0.000) 0.000 3.102 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.392 ( 0.000 0.000 0.000) 0.000 3.628 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.693 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.855 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.138 ( 0.000 0.000 0.000) 0.000 4.515 ( 0.000 0.000 0.000) 0.000 4.564 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 5.022 ( 0.000 0.000 0.000) 0.000 5.409 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.536 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/129) ======================= q-point: ( 0.08 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.291 ( 15.512 1.351 0.000) 15.571 0.317 ( 16.118 -1.019 0.000) 16.150 0.545 ( 24.963 -6.328 0.000) 25.753 0.881 ( 4.004 0.806 0.000) 4.084 0.998 ( 3.402 -0.114 0.000) 3.404 1.095 ( 4.128 -1.085 0.000) 4.269 1.153 ( -4.161 1.778 0.000) 4.524 1.438 ( -0.110 0.778 0.000) 0.786 1.477 ( 2.574 1.165 0.000) 2.825 1.488 ( 2.053 -0.178 0.000) 2.061 1.489 ( 2.665 0.329 0.000) 2.685 1.496 ( 1.495 -1.044 0.000) 1.824 1.668 ( 6.999 0.964 0.000) 7.066 1.706 ( 9.123 -0.021 0.000) 9.123 1.860 ( -0.408 1.485 0.000) 1.540 1.967 ( -3.419 -3.298 0.000) 4.750 2.293 ( -1.104 0.117 0.000) 1.111 3.077 ( -1.987 -0.229 0.000) 2.000 3.388 ( -0.535 -0.051 0.000) 0.537 3.389 ( 5.734 -0.155 0.000) 5.736 3.610 ( -1.565 -0.008 0.000) 1.565 3.741 ( 4.699 -0.009 0.000) 4.699 3.778 ( -0.145 0.206 0.000) 0.252 3.869 ( -0.048 -0.060 0.000) 0.077 3.875 ( 1.847 -0.012 0.000) 1.847 3.934 ( 0.074 -0.178 0.000) 0.193 4.155 ( 2.069 0.303 0.000) 2.092 4.500 ( -1.487 0.004 0.000) 1.487 4.557 ( -0.441 0.600 0.000) 0.745 4.685 ( -4.642 3.948 0.000) 6.093 4.861 ( 0.178 0.389 0.000) 0.428 5.007 ( -1.456 0.253 0.000) 1.478 5.158 ( 7.603 27.557 0.000) 28.586 5.416 ( 1.099 1.330 0.000) 1.726 5.445 ( -7.708 -15.694 0.000) 17.485 5.517 ( -2.251 -1.417 0.000) 2.660 ======================= Grid point 2 (3/129) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( 14.685 2.907 0.000) 14.970 0.613 ( 13.977 -1.447 0.000) 14.051 0.936 ( 10.711 -3.083 0.000) 11.146 0.974 ( 6.212 1.604 0.000) 6.416 1.084 ( -1.802 2.275 0.000) 2.902 1.137 ( 12.487 -0.245 0.000) 12.489 1.189 ( 4.329 -1.984 0.000) 4.762 1.452 ( 2.227 1.815 0.000) 2.873 1.492 ( -0.380 -1.237 0.000) 1.294 1.510 ( -1.108 -0.147 0.000) 1.118 1.528 ( 3.463 1.376 0.000) 3.727 1.542 ( 3.963 -0.236 0.000) 3.970 1.751 ( -0.591 -0.195 0.000) 0.622 1.906 ( -3.836 -1.952 0.000) 4.305 1.943 ( 11.961 1.455 0.000) 12.049 1.986 ( 18.118 0.240 0.000) 18.120 2.261 ( -2.127 0.094 0.000) 2.129 3.047 ( -1.164 -0.390 0.000) 1.228 3.364 ( -2.269 -0.116 0.000) 2.272 3.513 ( 6.594 -0.343 0.000) 6.603 3.576 ( -1.847 -0.086 0.000) 1.849 3.778 ( 0.328 0.178 0.000) 0.373 3.843 ( 5.536 -0.002 0.000) 5.536 3.863 ( -0.463 -0.003 0.000) 0.463 3.910 ( 1.202 -0.284 0.000) 1.235 3.942 ( 0.729 -0.138 0.000) 0.742 4.214 ( 4.078 0.224 0.000) 4.084 4.462 ( -2.290 -0.013 0.000) 2.290 4.498 ( -7.868 0.039 0.000) 7.868 4.582 ( -1.847 0.731 0.000) 1.986 4.861 ( 0.038 0.443 0.000) 0.444 4.965 ( -2.749 0.432 0.000) 2.783 5.153 ( 3.166 13.640 0.000) 14.003 5.363 ( -6.499 -5.873 0.000) 8.759 5.429 ( 0.404 2.354 0.000) 2.388 5.479 ( -1.659 -2.310 0.000) 2.844 ======================= Grid point 3 (4/129) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.808 ( 12.286 4.531 0.000) 13.095 0.837 ( 8.000 -1.284 0.000) 8.102 1.045 ( 0.570 2.525 0.000) 2.589 1.058 ( 3.900 0.666 0.000) 3.956 1.117 ( 8.177 0.608 0.000) 8.199 1.240 ( 1.025 0.334 0.000) 1.078 1.356 ( 7.320 4.098 0.000) 8.389 1.478 ( -1.714 -0.491 0.000) 1.783 1.487 ( 2.744 2.900 0.000) 3.992 1.495 ( -0.113 -1.004 0.000) 1.010 1.611 ( 5.461 -1.158 0.000) 5.582 1.655 ( 6.767 -2.543 0.000) 7.229 1.731 ( -0.336 -2.297 0.000) 2.321 1.845 ( -3.830 -3.968 0.000) 5.515 2.211 ( -3.178 -0.098 0.000) 3.180 2.217 ( 15.397 0.238 0.000) 15.399 2.333 ( 17.431 0.200 0.000) 17.432 3.037 ( -0.094 -0.319 0.000) 0.333 3.300 ( -4.357 -0.157 0.000) 4.360 3.554 ( 0.045 -0.159 0.000) 0.166 3.623 ( 4.146 -0.398 0.000) 4.165 3.789 ( 0.838 -0.013 0.000) 0.838 3.867 ( 1.161 0.124 0.000) 1.168 3.901 ( -2.470 -0.658 0.000) 2.556 3.935 ( 3.869 -0.032 0.000) 3.869 3.965 ( 1.708 0.004 0.000) 1.708 4.291 ( 3.261 0.445 0.000) 3.292 4.337 ( -6.489 -0.323 0.000) 6.497 4.420 ( -1.972 -0.044 0.000) 1.972 4.573 ( 0.352 0.256 0.000) 0.435 4.854 ( -0.690 0.245 0.000) 0.732 4.900 ( -3.754 0.459 0.000) 3.782 5.120 ( -1.667 5.125 0.000) 5.389 5.280 ( -3.293 0.336 0.000) 3.310 5.386 ( -3.302 -0.444 0.000) 3.332 5.503 ( 2.535 0.677 0.000) 2.624 ======================= Grid point 4 (5/129) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( 2.286 -0.094 0.000) 2.288 0.977 ( 8.119 5.306 0.000) 9.699 1.043 ( -0.088 0.579 0.000) 0.585 1.089 ( 0.030 2.906 0.000) 2.906 1.218 ( -1.384 3.817 0.000) 4.060 1.291 ( 8.824 0.231 0.000) 8.827 1.413 ( 3.321 5.990 0.000) 6.849 1.453 ( -1.275 -0.940 0.000) 1.584 1.509 ( 1.760 -0.151 0.000) 1.767 1.538 ( 3.803 1.135 0.000) 3.969 1.669 ( -0.273 -3.239 0.000) 3.251 1.772 ( 3.080 -3.590 0.000) 4.730 1.804 ( -1.935 -3.765 0.000) 4.233 1.828 ( 6.218 -3.791 0.000) 7.283 2.140 ( -4.431 -0.389 0.000) 4.448 2.481 ( 11.590 -0.417 0.000) 11.597 2.609 ( 11.007 -0.011 0.000) 11.007 3.044 ( 0.589 0.021 0.000) 0.590 3.212 ( -4.693 -0.164 0.000) 4.696 3.599 ( 4.950 -0.088 0.000) 4.950 3.628 ( -4.713 -0.408 0.000) 4.731 3.804 ( 0.603 -0.092 0.000) 0.610 3.857 ( 0.730 -0.188 0.000) 0.754 3.933 ( 4.430 -0.161 0.000) 4.433 3.985 ( 1.182 -0.092 0.000) 1.185 4.009 ( 3.141 -0.066 0.000) 3.141 4.235 ( -3.439 0.054 0.000) 3.440 4.363 ( 2.862 0.039 0.000) 2.863 4.393 ( -0.887 -0.084 0.000) 0.891 4.587 ( 1.277 0.182 0.000) 1.290 4.820 ( -4.460 0.351 0.000) 4.474 4.833 ( -1.375 0.060 0.000) 1.376 5.042 ( -4.611 0.204 0.000) 4.616 5.233 ( -1.047 3.191 0.000) 3.359 5.329 ( -2.911 -0.895 0.000) 3.045 5.546 ( 2.262 1.150 0.000) 2.538 ======================= Grid point 5 (6/129) ======================= q-point: ( 0.42 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 1.252 0.108 0.000) 1.256 1.027 ( -1.473 -0.134 0.000) 1.479 1.029 ( -2.049 3.191 0.000) 3.793 1.074 ( 3.684 4.241 0.000) 5.617 1.174 ( -1.435 2.758 0.000) 3.109 1.396 ( 2.249 0.230 0.000) 2.260 1.441 ( -0.491 -0.775 0.000) 0.917 1.449 ( 3.094 3.430 0.000) 4.619 1.588 ( 5.931 0.172 0.000) 5.934 1.601 ( 2.639 0.266 0.000) 2.652 1.679 ( -0.017 -2.488 0.000) 2.488 1.751 ( -3.544 -4.164 0.000) 5.468 1.862 ( 2.716 -0.772 0.000) 2.824 1.935 ( 3.082 -2.477 0.000) 3.954 2.051 ( -4.791 -0.475 0.000) 4.815 2.645 ( 5.420 -0.344 0.000) 5.431 2.746 ( 3.899 -0.140 0.000) 3.902 3.056 ( 0.621 0.291 0.000) 0.686 3.138 ( -2.852 -0.104 0.000) 2.854 3.515 ( -5.396 -0.501 0.000) 5.419 3.734 ( 8.340 0.077 0.000) 8.340 3.812 ( 0.158 -0.048 0.000) 0.165 3.906 ( 3.171 -0.029 0.000) 3.172 3.975 ( -2.355 -0.141 0.000) 2.360 4.009 ( 2.797 0.043 0.000) 2.797 4.089 ( 4.571 -0.097 0.000) 4.572 4.177 ( -2.770 -0.005 0.000) 2.770 4.385 ( -0.089 -0.082 0.000) 0.121 4.414 ( 2.721 -0.139 0.000) 2.724 4.616 ( 1.616 0.166 0.000) 1.625 4.731 ( -4.562 0.222 0.000) 4.567 4.807 ( -1.204 -0.015 0.000) 1.204 4.960 ( -3.684 -0.545 0.000) 3.724 5.200 ( -0.867 2.142 0.000) 2.310 5.289 ( -1.618 -0.598 0.000) 1.725 5.572 ( 1.039 0.742 0.000) 1.277 ======================= Grid point 6 (7/129) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 -0.000 0.000) 0.000 0.991 ( 0.000 -0.000 0.000) 0.000 1.003 ( 0.000 -0.000 0.000) 0.000 1.110 ( 0.000 -0.000 0.000) 0.000 1.140 ( 0.000 -0.000 0.000) 0.000 1.411 ( 0.000 -0.000 0.000) 0.000 1.439 ( 0.000 -0.000 0.000) 0.000 1.474 ( 0.000 -0.000 0.000) 0.000 1.625 ( 0.000 -0.000 0.000) 0.000 1.661 ( 0.000 -0.000 0.000) 0.000 1.691 ( 0.000 -0.000 0.000) 0.000 1.720 ( 0.000 -0.000 0.000) 0.000 1.890 ( 0.000 -0.000 0.000) 0.000 1.971 ( 0.000 -0.000 0.000) 0.000 1.996 ( 0.000 -0.000 0.000) 0.000 2.696 ( 0.000 -0.000 0.000) 0.000 2.780 ( 0.000 -0.000 0.000) 0.000 3.061 ( 0.000 -0.000 0.000) 0.000 3.111 ( 0.000 -0.000 0.000) 0.000 3.463 ( 0.000 -0.000 0.000) 0.000 3.813 ( 0.000 -0.000 0.000) 0.000 3.860 ( -0.000 -0.000 0.000) 0.000 3.912 ( 0.000 -0.000 0.000) 0.000 3.944 ( 0.000 -0.000 0.000) 0.000 4.035 ( 0.000 -0.000 0.000) 0.000 4.139 ( 0.000 -0.000 0.000) 0.000 4.145 ( 0.000 -0.000 0.000) 0.000 4.386 ( 0.000 -0.000 0.000) 0.000 4.452 ( 0.000 -0.000 0.000) 0.000 4.634 ( 0.000 -0.000 0.000) 0.000 4.674 ( 0.000 -0.000 0.000) 0.000 4.794 ( 0.000 -0.000 0.000) 0.000 4.923 ( 0.000 -0.000 0.000) 0.000 5.185 ( 0.000 -0.000 0.000) 0.000 5.275 ( 0.000 -0.000 0.000) 0.000 5.579 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 14 (8/129) ======================= q-point: ( 0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( 14.919 0.000 0.000) 14.919 0.606 ( 14.066 0.000 0.000) 14.066 0.917 ( 12.791 0.000 0.000) 12.791 0.982 ( 6.251 0.000 0.000) 6.251 1.097 ( -2.212 -0.000 0.000) 2.212 1.137 ( 12.585 0.000 0.000) 12.585 1.177 ( 4.168 0.000 0.000) 4.168 1.461 ( 2.356 0.000 0.000) 2.356 1.485 ( -0.219 -0.000 0.000) 0.219 1.509 ( -1.225 -0.000 0.000) 1.225 1.537 ( 3.339 0.000 0.000) 3.339 1.541 ( 3.779 0.000 0.000) 3.779 1.750 ( -0.812 -0.000 0.000) 0.812 1.894 ( -4.206 -0.000 0.000) 4.206 1.951 ( 11.592 0.000 0.000) 11.592 1.987 ( 18.124 0.000 0.000) 18.124 2.262 ( -2.175 -0.000 0.000) 2.175 3.045 ( -1.137 -0.000 0.000) 1.137 3.363 ( -2.270 -0.000 0.000) 2.270 3.511 ( 6.594 0.000 0.000) 6.594 3.575 ( -1.864 -0.000 0.000) 1.864 3.779 ( 0.259 0.000 0.000) 0.259 3.843 ( 5.536 0.000 0.000) 5.536 3.863 ( -0.420 -0.000 0.000) 0.420 3.909 ( 1.124 0.000 0.000) 1.124 3.941 ( 0.789 0.000 0.000) 0.789 4.215 ( 4.020 0.000 0.000) 4.020 4.462 ( -2.296 -0.000 0.000) 2.296 4.498 ( -7.915 -0.000 0.000) 7.915 4.586 ( -2.286 -0.000 0.000) 2.286 4.864 ( -0.054 -0.000 0.000) 0.054 4.967 ( -2.786 -0.000 0.000) 2.786 5.274 ( 0.741 0.000 0.000) 0.741 5.285 ( -5.859 -0.000 0.000) 5.859 5.454 ( 2.464 0.000 0.000) 2.464 5.455 ( -3.664 -0.000 0.000) 3.664 ======================= Grid point 15 (9/129) ======================= q-point: ( 0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 8.509 -0.452 0.000) 8.521 0.846 ( 12.547 2.126 0.000) 12.726 1.061 ( 4.595 0.014 0.000) 4.595 1.065 ( -0.790 1.043 0.000) 1.308 1.120 ( 8.416 0.106 0.000) 8.416 1.240 ( 2.262 -0.201 0.000) 2.271 1.386 ( 10.139 1.436 0.000) 10.240 1.475 ( -1.933 -0.117 0.000) 1.936 1.487 ( 0.336 -0.454 0.000) 0.565 1.509 ( 2.617 1.057 0.000) 2.823 1.608 ( 4.179 0.315 0.000) 4.191 1.639 ( 6.087 -0.702 0.000) 6.128 1.712 ( -1.370 -1.036 0.000) 1.717 1.810 ( -4.751 -2.075 0.000) 5.184 2.210 ( -3.291 -0.035 0.000) 3.291 2.219 ( 14.981 0.109 0.000) 14.981 2.334 ( 17.367 0.072 0.000) 17.367 3.035 ( 0.026 -0.119 0.000) 0.122 3.299 ( -4.352 -0.058 0.000) 4.352 3.553 ( 0.052 -0.058 0.000) 0.078 3.620 ( 4.218 -0.138 0.000) 4.220 3.789 ( 0.775 -0.005 0.000) 0.775 3.869 ( 1.489 0.160 0.000) 1.497 3.895 ( -2.780 -0.334 0.000) 2.800 3.935 ( 3.852 -0.012 0.000) 3.852 3.965 ( 1.736 0.007 0.000) 1.736 4.295 ( 3.962 0.215 0.000) 3.968 4.334 ( -7.225 -0.203 0.000) 7.228 4.420 ( -1.982 -0.017 0.000) 1.982 4.575 ( 0.258 0.096 0.000) 0.275 4.856 ( -0.802 0.089 0.000) 0.807 4.903 ( -3.819 0.132 0.000) 3.822 5.159 ( -5.864 1.951 0.000) 6.180 5.283 ( -0.505 0.107 0.000) 0.517 5.383 ( -3.705 -0.150 0.000) 3.708 5.507 ( 2.962 0.237 0.000) 2.971 ======================= Grid point 16 (10/129) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 2.641 -0.058 0.000) 2.642 1.027 ( 7.817 3.833 0.000) 8.706 1.048 ( -0.777 0.336 0.000) 0.847 1.109 ( 0.688 0.942 0.000) 1.166 1.252 ( -0.621 2.339 0.000) 2.420 1.293 ( 8.699 0.161 0.000) 8.700 1.444 ( -1.336 -0.556 0.000) 1.447 1.475 ( 2.764 5.431 0.000) 6.094 1.508 ( 2.110 -0.103 0.000) 2.112 1.550 ( 2.455 0.988 0.000) 2.646 1.638 ( -0.343 -2.412 0.000) 2.436 1.725 ( -1.178 -4.553 0.000) 4.703 1.778 ( 3.647 -1.320 0.000) 3.878 1.793 ( 5.803 -2.593 0.000) 6.356 2.137 ( -4.514 -0.224 0.000) 4.519 2.478 ( 11.524 -0.205 0.000) 11.526 2.609 ( 10.902 -0.006 0.000) 10.902 3.044 ( 0.765 0.009 0.000) 0.765 3.210 ( -4.672 -0.096 0.000) 4.673 3.599 ( 5.027 -0.051 0.000) 5.027 3.624 ( -4.770 -0.222 0.000) 4.775 3.803 ( 0.611 -0.053 0.000) 0.614 3.855 ( 0.816 -0.093 0.000) 0.821 3.931 ( 4.582 -0.111 0.000) 4.584 3.984 ( 1.161 -0.053 0.000) 1.162 4.009 ( 3.052 -0.032 0.000) 3.053 4.236 ( -3.520 0.026 0.000) 3.520 4.363 ( 2.886 -0.015 0.000) 2.886 4.392 ( -0.896 -0.048 0.000) 0.897 4.589 ( 1.255 0.099 0.000) 1.259 4.823 ( -4.543 0.184 0.000) 4.547 4.833 ( -1.439 0.035 0.000) 1.440 5.044 ( -5.493 0.185 0.000) 5.496 5.260 ( -1.272 1.819 0.000) 2.219 5.321 ( -2.826 -0.476 0.000) 2.865 5.555 ( 2.130 0.624 0.000) 2.220 ======================= Grid point 17 (11/129) ======================= q-point: ( 0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 1.221 0.091 0.000) 1.224 1.025 ( -1.566 -0.107 0.000) 1.569 1.062 ( -2.422 2.868 0.000) 3.754 1.114 ( 1.946 3.095 0.000) 3.655 1.201 ( -2.937 2.318 0.000) 3.741 1.399 ( 2.278 0.247 0.000) 2.292 1.433 ( -0.212 -0.637 0.000) 0.671 1.482 ( 0.698 2.519 0.000) 2.614 1.589 ( 5.927 0.114 0.000) 5.928 1.593 ( 1.363 -1.711 0.000) 2.188 1.663 ( 2.063 -0.483 0.000) 2.119 1.715 ( -0.732 -2.461 0.000) 2.568 1.856 ( 3.060 -0.351 0.000) 3.080 1.905 ( 3.729 -2.945 0.000) 4.752 2.047 ( -4.705 -0.347 0.000) 4.718 2.642 ( 5.636 -0.153 0.000) 5.639 2.745 ( 3.913 -0.102 0.000) 3.914 3.058 ( 0.585 0.172 0.000) 0.609 3.137 ( -2.804 -0.078 0.000) 2.805 3.510 ( -5.326 -0.400 0.000) 5.341 3.734 ( 8.403 0.058 0.000) 8.403 3.811 ( 0.185 -0.038 0.000) 0.189 3.906 ( 3.243 0.033 0.000) 3.243 3.974 ( -2.366 -0.103 0.000) 2.368 4.010 ( 2.799 0.031 0.000) 2.799 4.088 ( 4.672 -0.109 0.000) 4.673 4.177 ( -2.783 -0.018 0.000) 2.783 4.385 ( -0.064 -0.060 0.000) 0.088 4.412 ( 2.605 -0.106 0.000) 2.607 4.618 ( 1.590 0.124 0.000) 1.594 4.733 ( -4.619 0.162 0.000) 4.622 4.806 ( -1.213 -0.011 0.000) 1.213 4.956 ( -3.598 -0.311 0.000) 3.611 5.220 ( -1.840 1.500 0.000) 2.374 5.283 ( -1.357 -0.418 0.000) 1.419 5.579 ( 0.705 0.524 0.000) 0.878 ======================= Grid point 18 (12/129) ======================= q-point: ( 0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -0.006 0.309 0.000) 0.309 0.998 ( -1.911 1.245 0.000) 2.281 1.001 ( 0.100 -0.320 0.000) 0.336 1.111 ( -2.690 -0.020 0.000) 2.690 1.137 ( -1.527 -0.554 0.000) 1.624 1.411 ( -0.158 0.113 0.000) 0.195 1.439 ( 0.434 -0.091 0.000) 0.443 1.466 ( -2.330 -1.426 0.000) 2.732 1.611 ( -0.417 -1.914 0.000) 1.959 1.660 ( -0.178 -0.009 0.000) 0.178 1.706 ( 1.783 2.071 0.000) 2.732 1.732 ( 3.051 1.985 0.000) 3.640 1.890 ( 0.487 0.107 0.000) 0.498 1.963 ( 1.044 -1.438 0.000) 1.777 1.996 ( 0.390 0.005 0.000) 0.390 2.697 ( 0.250 0.192 0.000) 0.316 2.780 ( 0.109 -0.002 0.000) 0.109 3.060 ( -0.298 -0.124 0.000) 0.322 3.111 ( 0.059 -0.001 0.000) 0.059 3.463 ( 0.380 -0.034 0.000) 0.382 3.813 ( 0.020 -0.001 0.000) 0.021 3.860 ( -0.390 -0.003 0.000) 0.390 3.912 ( 0.415 0.004 0.000) 0.415 3.944 ( 0.018 0.071 0.000) 0.073 4.035 ( -0.018 0.015 0.000) 0.023 4.139 ( -0.049 -0.038 0.000) 0.062 4.145 ( 0.004 -0.026 0.000) 0.026 4.386 ( 0.054 -0.001 0.000) 0.054 4.452 ( 0.286 0.002 0.000) 0.286 4.634 ( -0.120 0.038 0.000) 0.126 4.674 ( -0.212 -0.020 0.000) 0.213 4.794 ( 0.018 0.001 0.000) 0.018 4.923 ( 0.392 0.004 0.000) 0.392 5.185 ( -1.215 0.005 0.000) 1.215 5.275 ( 0.348 0.002 0.000) 0.348 5.579 ( -0.425 -0.001 0.000) 0.425 ======================= Grid point 19 (13/129) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( -1.338 -0.091 0.000) 1.341 0.997 ( 1.250 -2.705 0.000) 2.980 1.028 ( 1.423 0.121 0.000) 1.428 1.030 ( -5.947 -3.875 0.000) 7.098 1.145 ( 0.433 -2.675 0.000) 2.710 1.394 ( -2.239 -0.169 0.000) 2.245 1.412 ( -4.351 -3.422 0.000) 5.535 1.449 ( 0.845 0.731 0.000) 1.117 1.586 ( -5.952 -0.194 0.000) 5.955 1.592 ( -2.582 -1.042 0.000) 2.784 1.711 ( 0.852 3.371 0.000) 3.477 1.795 ( 4.508 3.768 0.000) 5.875 1.872 ( -2.056 1.219 0.000) 2.390 1.955 ( -2.038 1.267 0.000) 2.399 2.056 ( 4.890 0.476 0.000) 4.913 2.650 ( -5.216 0.505 0.000) 5.241 2.748 ( -3.882 0.140 0.000) 3.884 3.052 ( -0.611 -0.358 0.000) 0.709 3.139 ( 2.906 0.101 0.000) 2.908 3.520 ( 5.483 0.447 0.000) 5.501 3.733 ( -8.270 -0.075 0.000) 8.270 3.812 ( -0.122 0.045 0.000) 0.130 3.907 ( -3.098 0.112 0.000) 3.100 3.977 ( 2.343 0.142 0.000) 2.347 4.009 ( -2.807 -0.044 0.000) 2.808 4.090 ( -4.448 0.038 0.000) 4.448 4.177 ( 2.756 -0.018 0.000) 2.756 4.386 ( 0.118 0.082 0.000) 0.144 4.415 ( -2.883 0.130 0.000) 2.886 4.614 ( -1.668 -0.163 0.000) 1.676 4.728 ( 4.500 -0.220 0.000) 4.506 4.807 ( 1.193 0.016 0.000) 1.193 4.967 ( 3.956 0.737 0.000) 4.024 5.176 ( -0.403 -2.301 0.000) 2.336 5.296 ( 1.955 0.635 0.000) 2.056 5.564 ( -1.461 -0.778 0.000) 1.656 ======================= Grid point 20 (14/129) ======================= q-point: (-0.42 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -8.315 -5.184 0.000) 9.799 0.931 ( -1.815 0.100 0.000) 1.818 1.036 ( -0.819 -0.664 0.000) 1.054 1.050 ( 0.922 -4.400 0.000) 4.495 1.177 ( 1.339 -3.769 0.000) 3.999 1.289 ( -9.035 -0.205 0.000) 9.038 1.352 ( -4.069 -5.249 0.000) 6.641 1.464 ( 1.238 1.079 0.000) 1.643 1.511 ( -1.312 0.115 0.000) 1.317 1.527 ( -4.385 -0.793 0.000) 4.456 1.704 ( -0.216 3.152 0.000) 3.160 1.801 ( -3.941 2.267 0.000) 4.547 1.848 ( 1.910 3.969 0.000) 4.404 1.871 ( -4.162 4.212 0.000) 5.921 2.145 ( 4.319 0.451 0.000) 4.343 2.486 ( -11.682 0.587 0.000) 11.697 2.609 ( -11.152 0.013 0.000) 11.152 3.044 ( -0.341 -0.033 0.000) 0.343 3.213 ( 4.723 0.186 0.000) 4.726 3.600 ( -4.844 0.101 0.000) 4.845 3.633 ( 4.705 0.513 0.000) 4.733 3.805 ( -0.591 0.107 0.000) 0.601 3.859 ( -0.601 0.268 0.000) 0.658 3.935 ( -4.249 0.142 0.000) 4.252 3.986 ( -1.211 0.106 0.000) 1.215 4.010 ( -3.232 0.087 0.000) 3.233 4.234 ( 3.341 -0.078 0.000) 3.342 4.362 ( -2.914 -0.177 0.000) 2.919 4.394 ( 0.875 0.097 0.000) 0.880 4.585 ( -1.305 -0.224 0.000) 1.324 4.815 ( 4.284 -0.459 0.000) 4.308 4.832 ( 1.287 -0.069 0.000) 1.289 5.041 ( 3.120 0.043 0.000) 3.120 5.195 ( 1.104 -3.833 0.000) 3.988 5.340 ( 3.089 1.181 0.000) 3.307 5.532 ( -2.504 -1.475 0.000) 2.906 ======================= Grid point 21 (15/129) ======================= q-point: (-0.33 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( -11.219 -4.090 0.000) 11.941 0.854 ( -6.990 1.911 0.000) 7.246 1.015 ( -2.128 -3.096 0.000) 3.756 1.046 ( -2.821 -1.675 0.000) 3.281 1.107 ( -8.618 -1.233 0.000) 8.706 1.226 ( 0.953 -2.453 0.000) 2.631 1.304 ( -5.052 -5.329 0.000) 7.343 1.457 ( -3.464 -2.537 0.000) 4.294 1.486 ( 1.562 0.810 0.000) 1.759 1.507 ( 0.581 1.101 0.000) 1.245 1.631 ( -6.144 2.265 0.000) 6.548 1.693 ( -7.597 4.505 0.000) 8.832 1.756 ( -0.706 2.297 0.000) 2.403 1.886 ( 2.595 3.534 0.000) 4.385 2.212 ( 2.991 0.142 0.000) 2.994 2.214 ( -16.051 -0.174 0.000) 16.052 2.330 ( -17.553 -0.280 0.000) 17.555 3.041 ( 0.292 0.419 0.000) 0.511 3.302 ( 4.364 0.211 0.000) 4.369 3.556 ( -0.031 0.218 0.000) 0.220 3.629 ( -4.051 0.586 0.000) 4.093 3.789 ( -0.947 0.019 0.000) 0.948 3.868 ( -0.974 0.247 0.000) 1.004 3.908 ( 2.438 0.685 0.000) 2.533 3.935 ( -3.899 0.043 0.000) 3.899 3.965 ( -1.666 0.025 0.000) 1.666 4.287 ( -2.760 -0.419 0.000) 2.791 4.339 ( 5.871 -0.034 0.000) 5.871 4.421 ( 1.952 0.058 0.000) 1.953 4.570 ( -0.482 -0.325 0.000) 0.581 4.851 ( 0.490 -0.341 0.000) 0.597 4.893 ( 3.389 -1.037 0.000) 3.544 5.057 ( -3.106 -6.416 0.000) 7.128 5.276 ( 5.990 -0.483 0.000) 6.010 5.392 ( 2.487 0.716 0.000) 2.588 5.493 ( -1.675 -1.027 0.000) 1.965 ======================= Grid point 22 (16/129) ======================= q-point: (-0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( -12.843 -1.211 0.000) 12.900 0.635 ( -13.758 2.665 0.000) 14.014 0.948 ( -6.126 -3.225 0.000) 6.924 0.967 ( -6.557 2.350 0.000) 6.966 1.053 ( 0.787 -3.397 0.000) 3.487 1.143 ( -12.023 0.676 0.000) 12.042 1.212 ( -3.476 2.066 0.000) 4.043 1.423 ( -1.980 -3.400 0.000) 3.935 1.507 ( 0.948 1.378 0.000) 1.673 1.513 ( 0.577 0.694 0.000) 0.903 1.514 ( -4.133 -0.774 0.000) 4.205 1.549 ( -5.003 1.211 0.000) 5.147 1.755 ( -0.108 0.445 0.000) 0.457 1.921 ( -9.698 -2.217 0.000) 9.948 1.930 ( -0.169 2.053 0.000) 2.060 1.982 ( -18.112 -0.424 0.000) 18.117 2.260 ( 1.997 -0.168 0.000) 2.004 3.053 ( 1.232 0.635 0.000) 1.386 3.365 ( 2.266 0.196 0.000) 2.275 3.518 ( -6.610 0.579 0.000) 6.636 3.577 ( 1.804 0.150 0.000) 1.810 3.775 ( -0.516 -0.309 0.000) 0.602 3.843 ( -5.538 0.005 0.000) 5.538 3.864 ( 0.564 0.269 0.000) 0.625 3.915 ( -1.346 0.558 0.000) 1.458 3.943 ( -0.642 0.143 0.000) 0.658 4.211 ( -4.248 -0.382 0.000) 4.265 4.463 ( 2.272 0.016 0.000) 2.272 4.496 ( 7.619 -0.372 0.000) 7.628 4.572 ( 0.802 -1.032 0.000) 1.307 4.855 ( -0.296 -0.788 0.000) 0.841 4.947 ( -0.375 -5.554 0.000) 5.567 5.009 ( -5.695 -10.416 0.000) 11.871 5.405 ( -1.207 -2.092 0.000) 2.415 5.409 ( 8.428 3.099 0.000) 8.980 5.503 ( 2.622 2.038 0.000) 3.321 ======================= Grid point 23 (17/129) ======================= q-point: (-0.17 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.299 ( -11.458 4.134 0.000) 12.181 0.338 ( -15.511 2.748 0.000) 15.753 0.647 ( -21.051 11.327 0.000) 23.904 0.863 ( -4.043 -2.518 0.000) 4.763 1.003 ( -2.496 0.859 0.000) 2.639 1.115 ( -4.476 2.607 0.000) 5.180 1.119 ( 3.701 -4.274 0.000) 5.653 1.421 ( 0.200 -2.477 0.000) 2.485 1.463 ( -2.590 -1.379 0.000) 2.934 1.485 ( -2.124 -0.699 0.000) 2.236 1.486 ( -4.524 -0.203 0.000) 4.529 1.511 ( 0.268 1.785 0.000) 1.805 1.652 ( -8.533 -1.820 0.000) 8.725 1.706 ( -8.865 0.015 0.000) 8.865 1.836 ( 0.533 -2.707 0.000) 2.759 2.013 ( 7.828 4.206 0.000) 8.886 2.290 ( 1.053 -0.321 0.000) 1.101 3.081 ( 2.005 0.595 0.000) 2.092 3.389 ( 0.518 0.138 0.000) 0.536 3.392 ( -5.798 0.354 0.000) 5.809 3.610 ( 1.519 0.024 0.000) 1.519 3.741 ( -4.662 0.029 0.000) 4.662 3.774 ( 0.038 -0.566 0.000) 0.567 3.871 ( 0.040 0.245 0.000) 0.249 3.875 ( -1.955 0.055 0.000) 1.956 3.937 ( 0.016 0.352 0.000) 0.352 4.148 ( -2.646 -1.236 0.000) 2.920 4.500 ( 1.475 -0.019 0.000) 1.475 4.523 ( -9.259 -9.440 0.000) 13.223 4.606 ( -4.363 -7.343 0.000) 8.541 4.853 ( -0.325 -1.088 0.000) 1.135 4.889 ( -9.021 -17.477 0.000) 19.668 5.009 ( 1.089 -0.345 0.000) 1.142 5.394 ( -0.942 -2.418 0.000) 2.595 5.540 ( 2.205 2.681 0.000) 3.471 5.559 ( 10.257 6.480 0.000) 12.132 ======================= Grid point 24 (18/129) ======================= q-point: (-0.08 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.074 ( -0.000 6.939 0.000) 6.939 0.156 ( -0.000 14.582 0.000) 14.582 0.221 ( -0.000 20.632 0.000) 20.632 0.834 ( 0.000 -1.675 0.000) 1.675 0.976 ( -0.000 1.819 0.000) 1.819 1.056 ( -0.000 1.218 0.000) 1.218 1.203 ( 0.000 -4.192 0.000) 4.192 1.394 ( 0.000 -0.052 0.000) 0.052 1.430 ( 0.000 -1.726 0.000) 1.726 1.456 ( 0.000 -1.105 0.000) 1.105 1.463 ( 0.000 -0.075 0.000) 0.075 1.505 ( -0.000 1.817 0.000) 1.817 1.545 ( 0.000 -0.816 0.000) 0.816 1.643 ( -0.000 0.186 0.000) 0.186 1.862 ( 0.000 -2.107 0.000) 2.107 2.302 ( 0.000 -0.273 0.000) 0.273 2.337 ( 0.000 -3.096 0.000) 3.096 3.109 ( -0.000 0.426 0.000) 0.426 3.325 ( 0.000 -0.107 0.000) 0.107 3.392 ( -0.000 0.078 0.000) 0.078 3.628 ( 0.000 -0.059 0.000) 0.059 3.690 ( -0.000 0.087 0.000) 0.087 3.693 ( -0.000 0.074 0.000) 0.074 3.778 ( 0.000 -0.497 0.000) 0.497 3.856 ( -0.000 0.176 0.000) 0.176 3.873 ( -0.000 0.182 0.000) 0.182 3.936 ( -0.000 0.559 0.000) 0.559 4.140 ( -0.000 0.441 0.000) 0.441 4.514 ( 0.000 -0.023 0.000) 0.023 4.579 ( 0.000 -0.143 0.000) 0.143 4.855 ( 0.000 -0.901 0.000) 0.901 4.864 ( 0.000 -2.338 0.000) 2.338 5.022 ( 0.000 -0.049 0.000) 0.049 5.397 ( 0.000 -1.983 0.000) 1.983 5.549 ( -0.000 2.269 0.000) 2.269 5.714 ( 0.000 -0.063 0.000) 0.063 ======================= Grid point 27 (19/129) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 2.774 0.000 0.000) 2.774 1.050 ( -0.335 -0.000 0.000) 0.335 1.050 ( 7.181 0.000 0.000) 7.181 1.113 ( 0.642 0.000 0.000) 0.642 1.265 ( -0.008 -0.000 0.000) 0.008 1.294 ( 8.662 0.000 0.000) 8.662 1.441 ( -1.368 -0.000 0.000) 1.368 1.507 ( 2.242 0.000 0.000) 2.242 1.512 ( 2.788 0.000 0.000) 2.788 1.553 ( 1.491 0.000 0.000) 1.491 1.625 ( -0.535 -0.000 0.000) 0.535 1.696 ( -1.738 -0.000 0.000) 1.738 1.773 ( 6.175 0.000 0.000) 6.175 1.777 ( 4.354 0.000 0.000) 4.354 2.135 ( -4.544 -0.000 0.000) 4.544 2.477 ( 11.501 0.000 0.000) 11.501 2.609 ( 10.863 0.000 0.000) 10.863 3.044 ( 0.828 0.000 0.000) 0.828 3.210 ( -4.664 -0.000 0.000) 4.664 3.598 ( 5.055 0.000 0.000) 5.055 3.623 ( -4.801 -0.000 0.000) 4.801 3.803 ( 0.614 0.000 0.000) 0.614 3.855 ( 0.847 0.000 0.000) 0.847 3.931 ( 4.641 0.000 0.000) 4.641 3.983 ( 1.153 0.000 0.000) 1.153 4.009 ( 3.016 0.000 0.000) 3.016 4.236 ( -3.551 -0.000 0.000) 3.551 4.363 ( 2.905 0.000 0.000) 2.905 4.392 ( -0.899 -0.000 0.000) 0.899 4.589 ( 1.247 0.000 0.000) 1.247 4.824 ( -4.566 -0.000 0.000) 4.566 4.834 ( -1.463 -0.000 0.000) 1.463 5.045 ( -5.785 -0.000 0.000) 5.785 5.270 ( -1.395 -0.000 0.000) 1.395 5.319 ( -2.801 -0.000 0.000) 2.801 5.559 ( 2.088 0.000 0.000) 2.088 ======================= Grid point 28 (20/129) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.224 0.036 0.000) 1.225 1.024 ( -1.642 -0.041 0.000) 1.643 1.085 ( -2.776 1.269 0.000) 3.053 1.136 ( 1.487 0.947 0.000) 1.763 1.220 ( -4.330 1.065 0.000) 4.459 1.401 ( 2.332 0.125 0.000) 2.335 1.428 ( -0.088 -0.266 0.000) 0.280 1.501 ( -2.029 1.065 0.000) 2.292 1.573 ( 0.764 -1.435 0.000) 1.626 1.590 ( 5.929 0.040 0.000) 5.930 1.663 ( 3.681 0.109 0.000) 3.683 1.700 ( 1.969 -0.502 0.000) 2.032 1.857 ( 3.388 0.571 0.000) 3.436 1.877 ( 3.851 -2.062 0.000) 4.369 2.044 ( -4.656 -0.127 0.000) 4.657 2.641 ( 5.778 -0.036 0.000) 5.779 2.744 ( 3.920 -0.037 0.000) 3.920 3.059 ( 0.545 0.054 0.000) 0.547 3.136 ( -2.776 -0.029 0.000) 2.776 3.507 ( -5.288 -0.153 0.000) 5.290 3.735 ( 8.440 0.021 0.000) 8.441 3.811 ( 0.200 -0.014 0.000) 0.201 3.906 ( 3.288 0.024 0.000) 3.288 3.973 ( -2.372 -0.037 0.000) 2.372 4.010 ( 2.806 0.011 0.000) 2.806 4.087 ( 4.727 -0.048 0.000) 4.727 4.177 ( -2.791 -0.010 0.000) 2.791 4.384 ( -0.050 -0.022 0.000) 0.054 4.412 ( 2.547 -0.039 0.000) 2.547 4.619 ( 1.583 0.046 0.000) 1.583 4.734 ( -4.654 0.059 0.000) 4.654 4.806 ( -1.219 -0.004 0.000) 1.219 4.953 ( -3.590 -0.098 0.000) 3.592 5.231 ( -2.369 0.538 0.000) 2.429 5.280 ( -1.216 -0.149 0.000) 1.225 5.583 ( 0.522 0.188 0.000) 0.555 ======================= Grid point 29 (21/129) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -0.079 0.537 0.000) 0.543 0.997 ( 0.243 -0.549 0.000) 0.600 1.015 ( -3.127 1.590 0.000) 3.508 1.106 ( -5.671 -0.942 0.000) 5.749 1.134 ( -1.845 0.079 0.000) 1.847 1.413 ( -0.329 0.123 0.000) 0.351 1.437 ( 0.806 -0.101 0.000) 0.812 1.449 ( -3.583 -1.459 0.000) 3.869 1.594 ( 0.249 -1.149 0.000) 1.175 1.660 ( -0.308 -0.009 0.000) 0.308 1.727 ( 2.702 1.681 0.000) 3.182 1.753 ( 4.022 1.584 0.000) 4.323 1.895 ( 1.159 1.008 0.000) 1.536 1.942 ( 1.756 -2.336 0.000) 2.922 1.996 ( 0.675 0.005 0.000) 0.675 2.699 ( 0.438 0.193 0.000) 0.479 2.780 ( 0.188 -0.002 0.000) 0.188 3.059 ( -0.517 -0.125 0.000) 0.532 3.111 ( 0.101 -0.001 0.000) 0.101 3.462 ( 0.656 -0.034 0.000) 0.657 3.813 ( 0.035 -0.001 0.000) 0.035 3.860 ( -0.674 -0.003 0.000) 0.674 3.912 ( 0.718 0.004 0.000) 0.718 3.945 ( 0.032 0.071 0.000) 0.078 4.036 ( -0.033 0.015 0.000) 0.036 4.138 ( -0.082 -0.038 0.000) 0.091 4.144 ( 0.006 -0.026 0.000) 0.027 4.386 ( 0.094 -0.001 0.000) 0.094 4.452 ( 0.496 0.002 0.000) 0.496 4.634 ( -0.210 0.038 0.000) 0.213 4.674 ( -0.366 -0.020 0.000) 0.367 4.794 ( 0.032 0.001 0.000) 0.032 4.923 ( 0.680 0.004 0.000) 0.680 5.185 ( -2.105 0.005 0.000) 2.105 5.275 ( 0.602 0.002 0.000) 0.602 5.579 ( -0.736 -0.001 0.000) 0.736 ======================= Grid point 30 (22/129) ======================= q-point: (-0.58 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -1.452 -0.056 0.000) 1.453 0.973 ( -1.410 -1.729 0.000) 2.231 0.995 ( -6.121 -2.638 0.000) 6.665 1.029 ( 1.422 0.081 0.000) 1.424 1.120 ( -0.319 -1.918 0.000) 1.944 1.380 ( -4.729 -2.507 0.000) 5.352 1.392 ( -2.236 -0.102 0.000) 2.238 1.456 ( 1.168 0.527 0.000) 1.282 1.582 ( -2.256 -0.878 0.000) 2.420 1.584 ( -5.991 -0.159 0.000) 5.993 1.746 ( 1.020 3.083 0.000) 3.247 1.822 ( 3.318 1.132 0.000) 3.506 1.892 ( -0.294 2.623 0.000) 2.640 1.961 ( -0.803 -0.227 0.000) 0.834 2.061 ( 4.976 0.349 0.000) 4.988 2.655 ( -5.081 0.477 0.000) 5.103 2.749 ( -3.866 0.102 0.000) 3.867 3.048 ( -0.558 -0.307 0.000) 0.637 3.140 ( 2.952 0.072 0.000) 2.953 3.524 ( 5.567 0.292 0.000) 5.574 3.732 ( -8.212 -0.054 0.000) 8.212 3.812 ( -0.089 0.031 0.000) 0.094 3.908 ( -3.044 0.134 0.000) 3.047 3.978 ( 2.333 0.105 0.000) 2.335 4.008 ( -2.823 -0.033 0.000) 2.823 4.090 ( -4.340 -0.010 0.000) 4.340 4.177 ( 2.745 -0.029 0.000) 2.746 4.387 ( 0.144 0.060 0.000) 0.156 4.416 ( -3.054 0.089 0.000) 3.055 4.613 ( -1.729 -0.118 0.000) 1.733 4.726 ( 4.454 -0.156 0.000) 4.457 4.807 ( 1.184 0.012 0.000) 1.184 4.975 ( 4.455 0.724 0.000) 4.513 5.153 ( -1.744 -1.848 0.000) 2.541 5.302 ( 2.286 0.492 0.000) 2.338 5.556 ( -1.866 -0.596 0.000) 1.959 ======================= Grid point 31 (23/129) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( -7.869 -4.002 0.000) 8.828 0.932 ( -1.361 0.079 0.000) 1.364 1.002 ( 0.953 -4.304 0.000) 4.408 1.030 ( -1.689 -0.572 0.000) 1.783 1.141 ( 1.186 -2.904 0.000) 3.137 1.287 ( -9.277 -0.134 0.000) 9.278 1.304 ( -4.768 -3.814 0.000) 6.106 1.475 ( 1.252 0.975 0.000) 1.586 1.512 ( -0.906 0.012 0.000) 0.906 1.520 ( -4.362 -0.554 0.000) 4.397 1.734 ( -1.094 2.458 0.000) 2.690 1.822 ( -2.417 1.664 0.000) 2.935 1.884 ( -1.045 2.705 0.000) 2.900 1.913 ( -1.427 3.466 0.000) 3.749 2.149 ( 4.207 0.393 0.000) 4.226 2.493 ( -11.773 0.609 0.000) 11.789 2.609 ( -11.297 0.012 0.000) 11.297 3.043 ( -0.083 -0.036 0.000) 0.090 3.215 ( 4.752 0.158 0.000) 4.755 3.601 ( -4.739 0.087 0.000) 4.740 3.638 ( 4.774 0.487 0.000) 4.799 3.806 ( -0.578 0.093 0.000) 0.585 3.862 ( -0.425 0.287 0.000) 0.513 3.936 ( -4.108 0.088 0.000) 4.109 3.987 ( -1.241 0.091 0.000) 1.244 4.011 ( -3.289 0.076 0.000) 3.290 4.234 ( 3.258 -0.080 0.000) 3.259 4.359 ( -3.098 -0.304 0.000) 3.113 4.395 ( 0.862 0.084 0.000) 0.866 4.583 ( -1.324 -0.200 0.000) 1.339 4.811 ( 4.017 -0.443 0.000) 4.042 4.831 ( 1.198 -0.059 0.000) 1.199 5.043 ( 0.936 0.534 0.000) 1.078 5.155 ( 1.967 -3.687 0.000) 4.179 5.353 ( 3.399 1.220 0.000) 3.611 5.516 ( -2.875 -1.473 0.000) 3.231 ======================= Grid point 32 (24/129) ======================= q-point: (-0.42 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.727 ( -8.969 -1.831 0.000) 9.154 0.876 ( -5.504 2.205 0.000) 5.929 0.982 ( -3.546 -2.914 0.000) 4.590 1.022 ( -1.347 -2.803 0.000) 3.110 1.092 ( -9.759 -1.614 0.000) 9.891 1.191 ( 1.376 -3.839 0.000) 4.078 1.248 ( -3.546 -5.029 0.000) 6.154 1.437 ( -4.305 -1.095 0.000) 4.442 1.495 ( 1.400 0.909 0.000) 1.669 1.517 ( 1.014 0.879 0.000) 1.342 1.655 ( -5.948 2.262 0.000) 6.364 1.745 ( -7.942 4.985 0.000) 9.377 1.778 ( -1.407 1.777 0.000) 2.267 1.917 ( 1.201 2.212 0.000) 2.517 2.214 ( -16.693 0.020 0.000) 16.693 2.214 ( 2.792 0.151 0.000) 2.796 2.327 ( -17.715 -0.289 0.000) 17.717 3.046 ( 0.501 0.400 0.000) 0.641 3.305 ( 4.369 0.206 0.000) 4.374 3.559 ( -0.015 0.218 0.000) 0.218 3.635 ( -3.992 0.620 0.000) 4.040 3.790 ( -1.075 0.019 0.000) 1.075 3.872 ( -0.944 0.585 0.000) 1.111 3.915 ( 2.851 0.725 0.000) 2.942 3.936 ( -3.931 0.043 0.000) 3.931 3.965 ( -1.637 0.045 0.000) 1.637 4.283 ( -2.702 -0.275 0.000) 2.716 4.336 ( 5.510 -0.691 0.000) 5.553 4.421 ( 1.927 0.055 0.000) 1.928 4.566 ( -0.557 -0.262 0.000) 0.616 4.847 ( 0.252 -0.348 0.000) 0.430 4.876 ( 1.608 -2.172 0.000) 2.702 4.994 ( -5.758 -5.100 0.000) 7.691 5.271 ( 7.760 -0.473 0.000) 7.774 5.401 ( 1.213 0.934 0.000) 1.531 5.481 ( -0.340 -1.236 0.000) 1.282 ======================= Grid point 33 (25/129) ======================= q-point: (-0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( -8.767 3.219 0.000) 9.340 0.668 ( -13.561 3.417 0.000) 13.985 0.908 ( -6.246 -4.200 0.000) 7.527 0.984 ( -3.400 0.914 0.000) 3.520 1.015 ( -0.220 -3.581 0.000) 3.588 1.139 ( -8.939 -1.808 0.000) 9.120 1.229 ( -1.698 0.869 0.000) 1.907 1.386 ( -2.180 -3.263 0.000) 3.925 1.514 ( 0.742 0.405 0.000) 0.845 1.517 ( -6.025 1.247 0.000) 6.152 1.528 ( 0.726 1.658 0.000) 1.810 1.569 ( -6.689 2.555 0.000) 7.161 1.759 ( -0.954 0.374 0.000) 1.025 1.893 ( -12.787 -2.705 0.000) 13.071 1.950 ( 0.684 1.438 0.000) 1.592 1.977 ( -18.132 -0.506 0.000) 18.139 2.258 ( 1.822 -0.200 0.000) 1.833 3.060 ( 1.306 0.673 0.000) 1.469 3.368 ( 2.262 0.218 0.000) 2.273 3.525 ( -6.662 0.642 0.000) 6.693 3.579 ( 1.746 0.176 0.000) 1.755 3.771 ( -0.775 -0.358 0.000) 0.854 3.843 ( -5.539 0.009 0.000) 5.539 3.868 ( 0.645 0.558 0.000) 0.853 3.923 ( -1.420 1.045 0.000) 1.763 3.944 ( -0.669 0.031 0.000) 0.669 4.206 ( -4.520 -0.504 0.000) 4.548 4.463 ( 2.244 0.009 0.000) 2.244 4.488 ( 6.858 -1.063 0.000) 6.940 4.562 ( -0.130 -0.719 0.000) 0.730 4.818 ( -11.540 -14.040 0.000) 18.174 4.845 ( -0.665 -0.942 0.000) 1.153 4.972 ( 1.650 -0.831 0.000) 1.847 5.385 ( -1.838 -1.670 0.000) 2.483 5.433 ( 9.399 1.551 0.000) 9.526 5.522 ( 3.486 1.643 0.000) 3.853 ======================= Grid point 34 (26/129) ======================= q-point: (-0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.373 ( -14.713 3.705 0.000) 15.172 0.381 ( -4.556 10.631 0.000) 11.566 0.766 ( -16.682 10.584 0.000) 19.757 0.827 ( -4.173 -4.254 0.000) 5.959 1.017 ( -1.213 1.896 0.000) 2.251 1.069 ( 3.081 -4.811 0.000) 5.713 1.147 ( -4.617 3.244 0.000) 5.643 1.387 ( 0.238 -3.664 0.000) 3.672 1.447 ( -2.384 -1.614 0.000) 2.880 1.476 ( -3.084 -1.013 0.000) 3.246 1.484 ( -5.099 -0.184 0.000) 5.102 1.531 ( 0.572 1.860 0.000) 1.946 1.633 ( -9.272 -1.713 0.000) 9.429 1.706 ( -8.456 -0.104 0.000) 8.457 1.805 ( 0.272 -3.143 0.000) 3.155 2.042 ( 9.333 1.130 0.000) 9.402 2.286 ( 0.965 -0.442 0.000) 1.062 3.089 ( 2.033 0.741 0.000) 2.164 3.391 ( 0.492 0.185 0.000) 0.525 3.396 ( -6.015 0.338 0.000) 6.024 3.610 ( 1.442 0.037 0.000) 1.442 3.741 ( -4.593 0.048 0.000) 4.593 3.767 ( -0.155 -0.783 0.000) 0.798 3.875 ( 0.057 0.415 0.000) 0.419 3.876 ( -2.453 0.170 0.000) 2.459 3.940 ( -0.005 0.056 0.000) 0.056 4.125 ( -6.092 -3.214 0.000) 6.888 4.372 ( -25.996 -13.378 0.000) 29.236 4.499 ( 1.452 -0.040 0.000) 1.452 4.574 ( -0.151 -1.261 0.000) 1.270 4.769 ( 1.833 -7.487 0.000) 7.709 4.839 ( -0.588 -1.542 0.000) 1.650 5.007 ( 1.371 -0.190 0.000) 1.384 5.369 ( -0.916 -2.250 0.000) 2.429 5.569 ( 2.379 2.666 0.000) 3.574 5.603 ( 9.278 2.460 0.000) 9.598 ======================= Grid point 35 (27/129) ======================= q-point: (-0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.146 ( -0.000 6.504 0.000) 6.504 0.307 ( -0.000 13.775 0.000) 13.775 0.435 ( -0.000 19.555 0.000) 19.555 0.806 ( 0.000 -3.532 0.000) 3.532 1.004 ( -0.000 3.297 0.000) 3.297 1.074 ( -0.000 2.288 0.000) 2.288 1.147 ( 0.000 -5.803 0.000) 5.803 1.393 ( 0.000 -0.090 0.000) 0.090 1.407 ( 0.000 -2.578 0.000) 2.578 1.439 ( 0.000 -2.198 0.000) 2.198 1.455 ( 0.000 -1.535 0.000) 1.535 1.526 ( -0.000 2.066 0.000) 2.066 1.536 ( 0.000 -0.844 0.000) 0.844 1.645 ( -0.000 0.269 0.000) 0.269 1.831 ( 0.000 -3.503 0.000) 3.503 2.290 ( 0.000 -5.769 0.000) 5.769 2.298 ( 0.000 -0.475 0.000) 0.475 3.115 ( -0.000 0.690 0.000) 0.690 3.323 ( 0.000 -0.183 0.000) 0.183 3.393 ( -0.000 0.135 0.000) 0.135 3.627 ( 0.000 -0.092 0.000) 0.092 3.691 ( -0.000 0.150 0.000) 0.150 3.694 ( -0.000 0.129 0.000) 0.129 3.771 ( 0.000 -0.871 0.000) 0.871 3.859 ( -0.000 0.307 0.000) 0.307 3.875 ( -0.000 0.309 0.000) 0.309 3.945 ( -0.000 1.114 0.000) 1.114 4.147 ( -0.000 0.820 0.000) 0.820 4.514 ( 0.000 -0.052 0.000) 0.052 4.577 ( 0.000 -0.454 0.000) 0.454 4.830 ( 0.000 -4.045 0.000) 4.045 4.842 ( 0.000 -1.612 0.000) 1.612 5.021 ( 0.000 -0.090 0.000) 0.090 5.373 ( 0.000 -2.377 0.000) 2.377 5.578 ( -0.000 2.923 0.000) 2.923 5.713 ( 0.000 -0.109 0.000) 0.109 ======================= Grid point 40 (28/129) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -1.906 -0.000 0.000) 1.906 0.991 ( 2.095 0.000 0.000) 2.095 1.025 ( -3.375 -0.000 0.000) 3.375 1.099 ( -6.772 -0.000 0.000) 6.772 1.135 ( -2.171 -0.000 0.000) 2.171 1.413 ( -0.419 -0.000 0.000) 0.419 1.437 ( 0.970 0.000 0.000) 0.970 1.441 ( -3.872 -0.000 0.000) 3.872 1.588 ( 0.514 0.000 0.000) 0.514 1.660 ( -0.356 -0.000 0.000) 0.356 1.737 ( 3.327 0.000 0.000) 3.327 1.761 ( 3.732 0.000 0.000) 3.732 1.908 ( 1.814 0.000 0.000) 1.814 1.922 ( 1.796 0.000 0.000) 1.796 1.996 ( 0.780 0.000 0.000) 0.780 2.700 ( 0.509 0.000 0.000) 0.509 2.780 ( 0.217 0.000 0.000) 0.217 3.058 ( -0.598 -0.000 0.000) 0.598 3.111 ( 0.117 0.000 0.000) 0.117 3.462 ( 0.756 0.000 0.000) 0.756 3.813 ( 0.041 0.000 0.000) 0.041 3.860 ( -0.778 -0.000 0.000) 0.778 3.912 ( 0.829 0.000 0.000) 0.829 3.945 ( 0.037 0.000 0.000) 0.037 4.036 ( -0.039 -0.000 0.000) 0.039 4.138 ( -0.094 -0.000 0.000) 0.094 4.144 ( 0.006 0.000 0.000) 0.006 4.386 ( 0.109 0.000 0.000) 0.109 4.452 ( 0.573 0.000 0.000) 0.573 4.635 ( -0.243 -0.000 0.000) 0.243 4.673 ( -0.422 -0.000 0.000) 0.422 4.794 ( 0.037 0.000 0.000) 0.037 4.923 ( 0.786 0.000 0.000) 0.786 5.185 ( -2.431 -0.000 0.000) 2.431 5.275 ( 0.695 0.000 0.000) 0.695 5.579 ( -0.850 -0.000 0.000) 0.850 ======================= Grid point 41 (29/129) ======================= q-point: (-0.67 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( -1.533 -0.019 0.000) 1.534 0.961 ( -6.218 -0.550 0.000) 6.242 0.975 ( -2.935 -0.969 0.000) 3.091 1.030 ( 1.438 0.028 0.000) 1.439 1.106 ( -0.840 -0.686 0.000) 1.085 1.361 ( -4.735 -0.924 0.000) 4.824 1.392 ( -2.235 -0.034 0.000) 2.236 1.460 ( 1.365 0.193 0.000) 1.378 1.575 ( -2.066 -0.330 0.000) 2.093 1.582 ( -6.024 -0.062 0.000) 6.025 1.772 ( 0.795 1.527 0.000) 1.722 1.824 ( 2.404 -0.287 0.000) 2.421 1.922 ( 0.591 2.494 0.000) 2.563 1.951 ( 0.390 -1.408 0.000) 1.461 2.064 ( 5.025 0.128 0.000) 5.026 2.659 ( -5.020 0.198 0.000) 5.024 2.750 ( -3.856 0.038 0.000) 3.856 3.046 ( -0.507 -0.123 0.000) 0.521 3.141 ( 2.978 0.026 0.000) 2.978 3.526 ( 5.620 0.099 0.000) 5.621 3.732 ( -8.179 -0.020 0.000) 8.179 3.813 ( -0.069 0.011 0.000) 0.070 3.909 ( -3.018 0.060 0.000) 3.019 3.979 ( 2.327 0.039 0.000) 2.327 4.008 ( -2.835 -0.012 0.000) 2.835 4.090 ( -4.277 -0.011 0.000) 4.277 4.177 ( 2.740 -0.014 0.000) 2.740 4.388 ( 0.160 0.022 0.000) 0.161 4.417 ( -3.167 0.031 0.000) 3.167 4.612 ( -1.769 -0.043 0.000) 1.770 4.725 ( 4.431 -0.056 0.000) 4.431 4.807 ( 1.179 0.004 0.000) 1.179 4.981 ( 4.955 0.323 0.000) 4.965 5.139 ( -2.720 -0.730 0.000) 2.817 5.305 ( 2.497 0.187 0.000) 2.504 5.552 ( -2.120 -0.225 0.000) 2.132 ======================= Grid point 42 (30/129) ======================= q-point: (-0.58 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -6.898 -2.158 0.000) 7.227 0.932 ( -1.040 0.043 0.000) 1.041 0.964 ( 0.042 -2.594 0.000) 2.595 1.025 ( -2.306 -0.329 0.000) 2.330 1.117 ( 1.264 -1.619 0.000) 2.054 1.273 ( -5.246 -1.987 0.000) 5.610 1.286 ( -9.466 -0.062 0.000) 9.466 1.483 ( 1.313 0.620 0.000) 1.452 1.511 ( -0.661 -0.067 0.000) 0.664 1.516 ( -4.178 -0.300 0.000) 4.189 1.754 ( -1.941 1.328 0.000) 2.352 1.836 ( -1.112 0.897 0.000) 1.429 1.906 ( -2.258 1.389 0.000) 2.651 1.942 ( -0.447 1.873 0.000) 1.925 2.152 ( 4.126 0.228 0.000) 4.132 2.499 ( -11.836 0.397 0.000) 11.843 2.609 ( -11.404 0.007 0.000) 11.404 3.043 ( 0.113 -0.024 0.000) 0.115 3.217 ( 4.774 0.090 0.000) 4.775 3.602 ( -4.663 0.051 0.000) 4.663 3.642 ( 4.873 0.302 0.000) 4.883 3.807 ( -0.567 0.054 0.000) 0.570 3.865 ( -0.237 0.195 0.000) 0.307 3.937 ( -4.038 0.037 0.000) 4.039 3.987 ( -1.264 0.053 0.000) 1.265 4.012 ( -3.311 0.041 0.000) 3.311 4.233 ( 3.206 -0.051 0.000) 3.207 4.356 ( -3.348 -0.256 0.000) 3.357 4.396 ( 0.852 0.049 0.000) 0.853 4.581 ( -1.327 -0.115 0.000) 1.332 4.807 ( 3.754 -0.274 0.000) 3.764 4.831 ( 1.132 -0.034 0.000) 1.133 5.052 ( -2.340 0.967 0.000) 2.532 5.120 ( 4.366 -2.728 0.000) 5.148 5.364 ( 3.805 0.841 0.000) 3.896 5.502 ( -3.326 -0.987 0.000) 3.470 ======================= Grid point 43 (31/129) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -5.826 0.614 0.000) 5.858 0.899 ( -3.652 2.035 0.000) 4.181 0.955 ( -4.626 -2.186 0.000) 5.116 0.986 ( -0.070 -3.783 0.000) 3.784 1.075 ( -11.430 -1.503 0.000) 11.528 1.156 ( 0.215 -2.275 0.000) 2.285 1.200 ( -2.678 -4.074 0.000) 4.875 1.431 ( -4.540 -0.286 0.000) 4.549 1.504 ( 1.229 0.741 0.000) 1.435 1.525 ( 1.366 0.503 0.000) 1.456 1.677 ( -5.506 1.692 0.000) 5.761 1.787 ( -6.790 1.849 0.000) 7.037 1.800 ( -2.897 3.101 0.000) 4.243 1.933 ( -0.158 0.856 0.000) 0.870 2.215 ( -17.156 0.145 0.000) 17.157 2.215 ( 2.638 0.117 0.000) 2.641 2.324 ( -17.876 -0.218 0.000) 17.877 3.050 ( 0.668 0.281 0.000) 0.724 3.307 ( 4.373 0.148 0.000) 4.375 3.561 ( -0.000 0.159 0.000) 0.159 3.641 ( -3.987 0.464 0.000) 4.014 3.790 ( -1.185 0.015 0.000) 1.186 3.879 ( -1.111 0.549 0.000) 1.239 3.924 ( 3.745 0.802 0.000) 3.830 3.936 ( -3.958 0.031 0.000) 3.958 3.966 ( -1.639 0.025 0.000) 1.639 4.281 ( -3.195 -0.102 0.000) 3.197 4.325 ( 5.442 -1.120 0.000) 5.556 4.422 ( 1.904 0.038 0.000) 1.904 4.564 ( -0.521 -0.117 0.000) 0.533 4.844 ( 0.039 -0.259 0.000) 0.262 4.848 ( -2.730 -2.863 0.000) 3.956 4.954 ( -4.630 -2.326 0.000) 5.182 5.266 ( 8.783 -0.331 0.000) 8.789 5.411 ( -0.681 1.007 0.000) 1.216 5.468 ( 1.614 -1.223 0.000) 2.025 ======================= Grid point 44 (32/129) ======================= q-point: (-0.42 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -3.807 7.104 0.000) 8.060 0.705 ( -13.602 3.351 0.000) 14.008 0.865 ( -6.857 -3.619 0.000) 7.753 0.978 ( -0.542 -3.454 0.000) 3.496 0.986 ( -1.624 -0.895 0.000) 1.855 1.107 ( -5.504 -3.778 0.000) 6.676 1.225 ( 0.416 -1.609 0.000) 1.662 1.362 ( -2.854 -1.149 0.000) 3.077 1.518 ( 0.367 0.387 0.000) 0.533 1.537 ( -7.453 2.304 0.000) 7.801 1.544 ( 0.994 1.215 0.000) 1.570 1.601 ( -8.605 3.150 0.000) 9.163 1.763 ( -1.635 0.274 0.000) 1.658 1.866 ( -13.795 -2.263 0.000) 13.980 1.960 ( -0.642 0.330 0.000) 0.722 1.972 ( -18.187 -0.454 0.000) 18.192 2.256 ( 1.651 -0.178 0.000) 1.661 3.066 ( 1.359 0.532 0.000) 1.459 3.370 ( 2.258 0.181 0.000) 2.265 3.531 ( -6.740 0.532 0.000) 6.761 3.581 ( 1.689 0.154 0.000) 1.696 3.768 ( -1.036 -0.312 0.000) 1.082 3.844 ( -5.538 0.011 0.000) 5.538 3.874 ( 0.595 0.487 0.000) 0.769 3.938 ( -1.282 1.696 0.000) 2.126 3.944 ( -0.887 -0.041 0.000) 0.888 4.200 ( -4.890 -0.682 0.000) 4.937 4.463 ( 2.212 -0.000 0.000) 2.212 4.474 ( 6.027 -1.554 0.000) 6.224 4.557 ( -1.227 -0.305 0.000) 1.264 4.684 ( -13.332 -10.840 0.000) 17.183 4.836 ( -1.051 -0.843 0.000) 1.348 4.966 ( 2.245 -0.390 0.000) 2.278 5.370 ( -2.268 -1.146 0.000) 2.541 5.445 ( 9.895 0.745 0.000) 9.923 5.537 ( 4.167 1.152 0.000) 4.323 ======================= Grid point 45 (33/129) ======================= q-point: (-0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -14.127 3.651 0.000) 14.591 0.509 ( -0.927 12.894 0.000) 12.927 0.776 ( -4.500 -5.146 0.000) 6.836 0.861 ( -11.268 6.778 0.000) 13.149 1.022 ( 2.613 -4.013 0.000) 4.789 1.041 ( 0.222 2.512 0.000) 2.522 1.181 ( -4.109 3.025 0.000) 5.103 1.347 ( 0.086 -3.744 0.000) 3.745 1.429 ( -3.167 -1.726 0.000) 3.606 1.465 ( -5.114 -0.953 0.000) 5.202 1.482 ( -5.367 -0.139 0.000) 5.369 1.550 ( 0.506 1.581 0.000) 1.660 1.617 ( -9.132 -1.200 0.000) 9.210 1.704 ( -8.084 -0.287 0.000) 8.089 1.773 ( -0.190 -2.733 0.000) 2.740 2.038 ( 7.831 -1.782 0.000) 8.031 2.281 ( 0.865 -0.445 0.000) 0.972 3.096 ( 2.061 0.660 0.000) 2.165 3.393 ( 0.465 0.180 0.000) 0.499 3.399 ( -6.377 0.195 0.000) 6.380 3.611 ( 1.356 0.043 0.000) 1.357 3.742 ( -4.501 0.058 0.000) 4.501 3.758 ( -0.394 -0.796 0.000) 0.889 3.875 ( -2.281 -0.215 0.000) 2.291 3.883 ( -1.392 0.844 0.000) 1.627 3.936 ( -1.176 -0.820 0.000) 1.433 4.083 ( -12.018 -3.993 0.000) 12.664 4.279 ( -18.086 -4.812 0.000) 18.716 4.499 ( 1.422 -0.056 0.000) 1.423 4.559 ( 0.260 -1.688 0.000) 1.708 4.707 ( 4.894 -4.625 0.000) 6.733 4.822 ( -0.903 -1.603 0.000) 1.839 5.005 ( 1.471 -0.181 0.000) 1.482 5.348 ( -0.923 -1.677 0.000) 1.915 5.595 ( 2.629 2.155 0.000) 3.399 5.620 ( 8.430 1.008 0.000) 8.490 ======================= Grid point 46 (34/129) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.211 ( -0.000 5.580 0.000) 5.580 0.446 ( -0.000 12.265 0.000) 12.265 0.632 ( -0.000 17.501 0.000) 17.501 0.759 ( 0.000 -5.196 0.000) 5.196 1.044 ( -0.000 4.200 0.000) 4.200 1.087 ( 0.000 -5.249 0.000) 5.249 1.103 ( -0.000 3.071 0.000) 3.071 1.376 ( 0.000 -3.230 0.000) 3.230 1.392 ( 0.000 -0.104 0.000) 0.104 1.410 ( 0.000 -3.275 0.000) 3.275 1.430 ( 0.000 -3.123 0.000) 3.123 1.530 ( 0.000 -0.314 0.000) 0.314 1.546 ( -0.000 1.684 0.000) 1.684 1.648 ( -0.000 0.121 0.000) 0.121 1.792 ( 0.000 -3.642 0.000) 3.642 2.218 ( 0.000 -7.545 0.000) 7.545 2.293 ( 0.000 -0.552 0.000) 0.552 3.122 ( -0.000 0.723 0.000) 0.723 3.321 ( 0.000 -0.208 0.000) 0.208 3.395 ( -0.000 0.156 0.000) 0.156 3.626 ( 0.000 -0.088 0.000) 0.088 3.693 ( -0.000 0.173 0.000) 0.173 3.696 ( -0.000 0.150 0.000) 0.150 3.760 ( 0.000 -1.022 0.000) 1.022 3.863 ( -0.000 0.357 0.000) 0.357 3.879 ( -0.000 0.347 0.000) 0.347 3.960 ( -0.000 1.559 0.000) 1.559 4.157 ( -0.000 1.104 0.000) 1.104 4.513 ( 0.000 -0.080 0.000) 0.080 4.569 ( 0.000 -1.110 0.000) 1.110 4.783 ( 0.000 -4.519 0.000) 4.519 4.822 ( 0.000 -1.934 0.000) 1.934 5.020 ( 0.000 -0.101 0.000) 0.101 5.349 ( 0.000 -1.973 0.000) 1.973 5.608 ( -0.000 2.676 0.000) 2.676 5.712 ( 0.000 -0.125 0.000) 0.125 ======================= Grid point 53 (35/129) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( -6.349 -0.000 0.000) 6.349 0.932 ( -0.925 -0.000 0.000) 0.925 0.950 ( -0.536 -0.000 0.000) 0.536 1.023 ( -2.528 -0.000 0.000) 2.528 1.108 ( 1.334 0.000 0.000) 1.334 1.262 ( -5.410 -0.000 0.000) 5.410 1.285 ( -9.537 -0.000 0.000) 9.537 1.487 ( 1.365 0.000 0.000) 1.365 1.511 ( -0.600 -0.000 0.000) 0.600 1.514 ( -4.091 -0.000 0.000) 4.091 1.762 ( -2.292 -0.000 0.000) 2.292 1.841 ( -0.610 -0.000 0.000) 0.610 1.913 ( -2.548 -0.000 0.000) 2.548 1.952 ( -0.239 -0.000 0.000) 0.239 2.154 ( 4.096 0.000 0.000) 4.096 2.501 ( -11.858 -0.000 0.000) 11.858 2.609 ( -11.443 -0.000 0.000) 11.443 3.043 ( 0.186 0.000 0.000) 0.186 3.217 ( 4.782 0.000 0.000) 4.782 3.602 ( -4.635 -0.000 0.000) 4.635 3.644 ( 4.919 0.000 0.000) 4.919 3.807 ( -0.563 -0.000 0.000) 0.563 3.866 ( -0.150 -0.000 0.000) 0.150 3.937 ( -4.021 -0.000 0.000) 4.021 3.988 ( -1.272 -0.000 0.000) 1.272 4.012 ( -3.316 -0.000 0.000) 3.316 4.233 ( 3.190 0.000 0.000) 3.190 4.354 ( -3.469 -0.000 0.000) 3.469 4.396 ( 0.848 0.000 0.000) 0.848 4.581 ( -1.325 -0.000 0.000) 1.325 4.805 ( 3.642 0.000 0.000) 3.642 4.831 ( 1.108 0.000 0.000) 1.108 5.059 ( -5.803 -0.000 0.000) 5.803 5.103 ( 7.529 0.000 0.000) 7.529 5.369 ( 4.029 0.000 0.000) 4.029 5.496 ( -3.567 -0.000 0.000) 3.567 ======================= Grid point 55 (36/129) ======================= q-point: (-0.58 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( -3.084 0.953 0.000) 3.228 0.918 ( -1.515 1.281 0.000) 1.984 0.937 ( -5.720 -1.220 0.000) 5.849 0.951 ( -0.070 -2.157 0.000) 2.158 1.063 ( -12.986 -0.658 0.000) 13.002 1.146 ( 0.570 0.203 0.000) 0.605 1.164 ( -3.508 -2.368 0.000) 4.233 1.429 ( -4.509 -0.041 0.000) 4.509 1.510 ( 1.093 0.296 0.000) 1.133 1.528 ( 1.589 0.147 0.000) 1.596 1.689 ( -5.130 0.636 0.000) 5.169 1.796 ( -4.975 0.331 0.000) 4.986 1.828 ( -4.748 1.539 0.000) 4.991 1.937 ( -1.075 0.105 0.000) 1.080 2.216 ( -17.395 0.081 0.000) 17.395 2.216 ( 2.559 0.044 0.000) 2.559 2.323 ( -17.979 -0.081 0.000) 17.980 3.052 ( 0.758 0.100 0.000) 0.764 3.308 ( 4.374 0.054 0.000) 4.374 3.562 ( 0.008 0.058 0.000) 0.059 3.645 ( -4.003 0.170 0.000) 4.007 3.790 ( -1.250 0.005 0.000) 1.250 3.883 ( -1.298 0.200 0.000) 1.313 3.931 ( 4.596 0.421 0.000) 4.615 3.937 ( -3.973 0.011 0.000) 3.973 3.966 ( -1.676 -0.003 0.000) 1.676 4.280 ( -4.154 0.006 0.000) 4.154 4.315 ( 5.841 -0.609 0.000) 5.873 4.422 ( 1.889 0.014 0.000) 1.889 4.564 ( -0.431 -0.019 0.000) 0.432 4.824 ( -5.948 -1.279 0.000) 6.084 4.842 ( -0.087 -0.096 0.000) 0.129 4.940 ( -3.091 -0.586 0.000) 3.146 5.264 ( 9.252 -0.117 0.000) 9.253 5.420 ( -3.284 0.588 0.000) 3.336 5.457 ( 4.255 -0.666 0.000) 4.307 ======================= Grid point 56 (37/129) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 0.700 7.821 0.000) 7.852 0.734 ( -13.829 1.910 0.000) 13.960 0.837 ( -8.087 -1.424 0.000) 8.211 0.944 ( 0.138 -2.641 0.000) 2.645 0.956 ( -1.943 -4.549 0.000) 4.946 1.077 ( -3.153 -1.341 0.000) 3.426 1.202 ( 1.300 -2.179 0.000) 2.538 1.357 ( -2.873 0.025 0.000) 2.873 1.522 ( 0.111 0.250 0.000) 0.274 1.554 ( 1.164 0.619 0.000) 1.319 1.560 ( -7.771 1.804 0.000) 7.977 1.629 ( -9.832 1.905 0.000) 10.015 1.766 ( -2.194 0.372 0.000) 2.225 1.847 ( -14.363 -1.290 0.000) 14.421 1.959 ( -1.879 -0.264 0.000) 1.898 1.968 ( -18.251 -0.269 0.000) 18.253 2.254 ( 1.529 -0.105 0.000) 1.532 3.071 ( 1.385 0.285 0.000) 1.414 3.371 ( 2.254 0.102 0.000) 2.256 3.535 ( -6.808 0.296 0.000) 6.814 3.582 ( 1.649 0.090 0.000) 1.652 3.765 ( -1.228 -0.181 0.000) 1.241 3.844 ( -5.537 0.007 0.000) 5.537 3.878 ( 0.455 0.210 0.000) 0.501 3.943 ( -0.839 -0.064 0.000) 0.841 3.957 ( -1.352 1.636 0.000) 2.122 4.192 ( -5.325 -0.712 0.000) 5.373 4.458 ( 6.279 -1.276 0.000) 6.407 4.463 ( 2.187 -0.003 0.000) 2.187 4.554 ( -7.176 -0.500 0.000) 7.194 4.597 ( -8.981 -5.260 0.000) 10.408 4.828 ( -1.345 -0.498 0.000) 1.434 4.963 ( 2.395 -0.206 0.000) 2.404 5.361 ( -2.511 -0.578 0.000) 2.576 5.450 ( 10.137 0.302 0.000) 10.142 5.546 ( 4.602 0.594 0.000) 4.640 ======================= Grid point 57 (38/129) ======================= q-point: (-0.42 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.446 ( -13.899 2.531 0.000) 14.128 0.644 ( -0.794 12.331 0.000) 12.357 0.725 ( -5.039 -4.134 0.000) 6.518 0.902 ( -4.721 0.718 0.000) 4.775 0.986 ( 2.470 -2.685 0.000) 3.648 1.068 ( 2.056 2.473 0.000) 3.216 1.204 ( -2.232 0.910 0.000) 2.411 1.317 ( -1.249 -1.323 0.000) 1.820 1.412 ( -5.427 -1.309 0.000) 5.582 1.456 ( -7.528 -0.838 0.000) 7.574 1.481 ( -5.544 -0.077 0.000) 5.545 1.564 ( 0.476 1.116 0.000) 1.213 1.608 ( -8.583 -0.601 0.000) 8.604 1.700 ( -7.901 -0.366 0.000) 7.909 1.750 ( -0.457 -1.501 0.000) 1.569 2.011 ( 5.379 -2.862 0.000) 6.093 2.277 ( 0.778 -0.327 0.000) 0.844 3.102 ( 2.083 0.433 0.000) 2.128 3.394 ( 0.446 0.128 0.000) 0.464 3.400 ( -6.747 0.063 0.000) 6.748 3.611 ( 1.286 0.037 0.000) 1.286 3.742 ( -4.388 0.055 0.000) 4.389 3.750 ( -0.639 -0.599 0.000) 0.876 3.871 ( -3.956 -0.582 0.000) 3.999 3.892 ( -2.247 0.898 0.000) 2.419 3.924 ( -3.424 -1.266 0.000) 3.651 4.053 ( -10.848 -1.662 0.000) 10.975 4.251 ( -11.096 -1.097 0.000) 11.151 4.498 ( 1.394 -0.051 0.000) 1.395 4.537 ( 0.559 -2.347 0.000) 2.412 4.670 ( 5.180 -2.258 0.000) 5.651 4.806 ( -1.184 -1.209 0.000) 1.692 5.003 ( 1.554 -0.134 0.000) 1.560 5.333 ( -0.922 -1.003 0.000) 1.362 5.614 ( 2.844 1.388 0.000) 3.164 5.627 ( 7.957 0.413 0.000) 7.967 ======================= Grid point 58 (39/129) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( -0.000 3.980 0.000) 3.980 0.564 ( -0.000 9.718 0.000) 9.718 0.701 ( 0.000 -5.437 0.000) 5.437 0.801 ( -0.000 13.991 0.000) 13.991 1.039 ( 0.000 -3.703 0.000) 3.703 1.091 ( -0.000 4.399 0.000) 4.399 1.138 ( -0.000 3.408 0.000) 3.408 1.340 ( 0.000 -3.629 0.000) 3.629 1.370 ( 0.000 -4.179 0.000) 4.179 1.391 ( 0.000 -0.089 0.000) 0.089 1.394 ( 0.000 -3.524 0.000) 3.524 1.528 ( 0.000 -0.025 0.000) 0.025 1.562 ( -0.000 1.317 0.000) 1.317 1.647 ( 0.000 -0.188 0.000) 0.188 1.759 ( 0.000 -2.417 0.000) 2.417 2.135 ( 0.000 -7.772 0.000) 7.772 2.287 ( 0.000 -0.479 0.000) 0.479 3.129 ( -0.000 0.564 0.000) 0.564 3.319 ( 0.000 -0.178 0.000) 0.178 3.396 ( -0.000 0.135 0.000) 0.135 3.625 ( 0.000 -0.059 0.000) 0.059 3.695 ( -0.000 0.150 0.000) 0.150 3.698 ( -0.000 0.131 0.000) 0.131 3.750 ( 0.000 -0.902 0.000) 0.902 3.866 ( -0.000 0.311 0.000) 0.311 3.882 ( -0.000 0.293 0.000) 0.293 3.977 ( -0.000 1.635 0.000) 1.635 4.170 ( -0.000 1.228 0.000) 1.228 4.512 ( 0.000 -0.085 0.000) 0.085 4.552 ( 0.000 -1.971 0.000) 1.971 4.739 ( 0.000 -3.466 0.000) 3.466 4.803 ( 0.000 -1.732 0.000) 1.732 5.019 ( 0.000 -0.080 0.000) 0.080 5.332 ( 0.000 -1.324 0.000) 1.324 5.633 ( -0.000 1.989 0.000) 1.989 5.711 ( 0.000 -0.107 0.000) 0.107 ======================= Grid point 67 (40/129) ======================= q-point: (-0.58 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -13.745 -0.000 0.000) 13.745 0.745 ( 3.775 0.000 0.000) 3.775 0.832 ( -9.364 -0.000 0.000) 9.364 0.920 ( -3.822 -0.000 0.000) 3.822 0.929 ( 1.028 0.000 0.000) 1.028 1.072 ( -2.130 -0.000 0.000) 2.130 1.189 ( 1.385 0.000 0.000) 1.385 1.358 ( -2.743 -0.000 0.000) 2.743 1.523 ( 0.018 0.000 0.000) 0.018 1.557 ( 1.227 0.000 0.000) 1.227 1.570 ( -7.712 -0.000 0.000) 7.712 1.639 ( -10.172 -0.000 0.000) 10.172 1.769 ( -2.495 -0.000 0.000) 2.495 1.840 ( -14.505 -0.000 0.000) 14.505 1.957 ( -2.414 -0.000 0.000) 2.414 1.966 ( -18.281 -0.000 0.000) 18.281 2.254 ( 1.484 0.000 0.000) 1.484 3.072 ( 1.391 0.000 0.000) 1.391 3.372 ( 2.252 0.000 0.000) 2.252 3.537 ( -6.834 -0.000 0.000) 6.834 3.582 ( 1.635 0.000 0.000) 1.635 3.764 ( -1.298 -0.000 0.000) 1.298 3.844 ( -5.536 -0.000 0.000) 5.536 3.879 ( 0.387 0.000 0.000) 0.387 3.943 ( -0.919 -0.000 0.000) 0.919 3.967 ( -1.264 -0.000 0.000) 1.264 4.188 ( -5.562 -0.000 0.000) 5.562 4.451 ( 6.753 0.000 0.000) 6.753 4.463 ( 2.177 0.000 0.000) 2.177 4.548 ( -18.919 -0.000 0.000) 18.919 4.572 ( 2.023 0.000 0.000) 2.023 4.826 ( -1.454 -0.000 0.000) 1.454 4.962 ( 2.435 0.000 0.000) 2.435 5.358 ( -2.588 -0.000 0.000) 2.588 5.451 ( 10.211 0.000 0.000) 10.211 5.550 ( 4.752 0.000 0.000) 4.752 ======================= Grid point 69 (41/129) ======================= q-point: (-0.50 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -13.885 0.828 0.000) 13.909 0.694 ( -5.519 -1.506 0.000) 5.721 0.759 ( -5.124 8.343 0.000) 9.791 0.879 ( 3.528 -4.020 0.000) 5.349 0.966 ( 2.530 -0.972 0.000) 2.710 1.091 ( 3.402 1.446 0.000) 3.696 1.200 ( -0.324 -0.901 0.000) 0.957 1.318 ( -1.853 0.751 0.000) 1.999 1.402 ( -8.610 -0.630 0.000) 8.633 1.448 ( -8.946 -0.407 0.000) 8.956 1.481 ( -5.646 -0.023 0.000) 5.646 1.572 ( 0.535 0.419 0.000) 0.679 1.604 ( -8.176 -0.158 0.000) 8.177 1.697 ( -7.889 -0.177 0.000) 7.891 1.741 ( -0.471 -0.325 0.000) 0.572 1.986 ( 3.598 -1.439 0.000) 3.875 2.275 ( 0.729 -0.120 0.000) 0.739 3.105 ( 2.095 0.148 0.000) 2.100 3.395 ( 0.436 0.046 0.000) 0.438 3.400 ( -6.973 0.008 0.000) 6.973 3.612 ( 1.248 0.015 0.000) 1.248 3.743 ( -4.360 0.043 0.000) 4.360 3.746 ( -0.748 -0.243 0.000) 0.787 3.865 ( -5.736 -0.368 0.000) 5.748 3.901 ( -3.175 0.635 0.000) 3.238 3.913 ( -3.772 -0.730 0.000) 3.842 4.044 ( -8.014 -0.291 0.000) 8.019 4.246 ( -8.512 -0.114 0.000) 8.513 4.498 ( 1.377 -0.021 0.000) 1.377 4.516 ( 0.831 -1.181 0.000) 1.444 4.656 ( 4.861 -0.593 0.000) 4.897 4.797 ( -1.349 -0.449 0.000) 1.422 5.002 ( 1.605 -0.049 0.000) 1.606 5.326 ( -0.916 -0.330 0.000) 0.974 5.624 ( 2.965 0.478 0.000) 3.003 5.630 ( 7.750 0.113 0.000) 7.751 ======================= Grid point 70 (42/129) ======================= q-point: (-0.42 0.42 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.293 ( -0.000 1.895 0.000) 1.895 0.647 ( -0.000 5.631 0.000) 5.631 0.652 ( 0.000 -3.422 0.000) 3.422 0.921 ( -0.000 8.223 0.000) 8.223 1.010 ( 0.000 -1.910 0.000) 1.910 1.134 ( -0.000 3.627 0.000) 3.627 1.172 ( -0.000 2.863 0.000) 2.863 1.303 ( 0.000 -3.079 0.000) 3.079 1.325 ( 0.000 -3.995 0.000) 3.995 1.361 ( 0.000 -2.418 0.000) 2.418 1.390 ( 0.000 -0.051 0.000) 0.051 1.528 ( -0.000 0.029 0.000) 0.029 1.574 ( -0.000 0.847 0.000) 0.847 1.644 ( 0.000 -0.318 0.000) 0.318 1.743 ( 0.000 -0.703 0.000) 0.703 2.062 ( 0.000 -5.429 0.000) 5.429 2.283 ( 0.000 -0.277 0.000) 0.277 3.134 ( -0.000 0.300 0.000) 0.300 3.317 ( 0.000 -0.102 0.000) 0.102 3.397 ( -0.000 0.078 0.000) 0.078 3.625 ( 0.000 -0.025 0.000) 0.025 3.696 ( -0.000 0.086 0.000) 0.086 3.699 ( -0.000 0.076 0.000) 0.076 3.742 ( 0.000 -0.530 0.000) 0.530 3.869 ( -0.000 0.181 0.000) 0.181 3.885 ( -0.000 0.166 0.000) 0.166 3.992 ( -0.000 1.083 0.000) 1.083 4.182 ( -0.000 0.935 0.000) 0.935 4.512 ( 0.000 -0.056 0.000) 0.056 4.530 ( 0.000 -1.864 0.000) 1.864 4.712 ( 0.000 -1.642 0.000) 1.642 4.788 ( 0.000 -1.022 0.000) 1.022 5.018 ( 0.000 -0.042 0.000) 0.042 5.321 ( 0.000 -0.649 0.000) 0.649 5.649 ( -0.000 1.054 0.000) 1.054 5.710 ( 0.000 -0.061 0.000) 0.061 ======================= Grid point 82 (43/129) ======================= q-point: ( 0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -0.000 0.000 0.000) 0.000 0.634 ( -0.000 0.000 0.000) 0.000 0.677 ( -0.000 0.000 0.000) 0.000 0.966 ( -0.000 0.000 0.000) 0.000 0.999 ( 0.000 -0.000 0.000) 0.000 1.157 ( 0.000 -0.000 0.000) 0.000 1.190 ( -0.000 0.000 0.000) 0.000 1.284 ( 0.000 -0.000 0.000) 0.000 1.299 ( -0.000 0.000 0.000) 0.000 1.347 ( -0.000 0.000 0.000) 0.000 1.390 ( -0.000 0.000 0.000) 0.000 1.528 ( -0.000 0.000 0.000) 0.000 1.579 ( -0.000 0.000 0.000) 0.000 1.642 ( -0.000 0.000 0.000) 0.000 1.740 ( -0.000 0.000 0.000) 0.000 2.031 ( -0.000 0.000 0.000) 0.000 2.281 ( -0.000 0.000 0.000) 0.000 3.136 ( -0.000 0.000 0.000) 0.000 3.317 ( -0.000 0.000 0.000) 0.000 3.398 ( -0.000 0.000 0.000) 0.000 3.625 ( -0.000 0.000 0.000) 0.000 3.696 ( -0.000 0.000 0.000) 0.000 3.699 ( -0.000 0.000 0.000) 0.000 3.739 ( -0.000 0.000 0.000) 0.000 3.870 ( -0.000 0.000 0.000) 0.000 3.886 ( -0.000 0.000 0.000) 0.000 3.998 ( -0.000 0.000 0.000) 0.000 4.187 ( -0.000 0.000 0.000) 0.000 4.511 ( -0.000 0.000 0.000) 0.000 4.519 ( -0.000 0.000 0.000) 0.000 4.704 ( -0.000 0.000 0.000) 0.000 4.782 ( -0.000 0.000 0.000) 0.000 5.018 ( -0.000 0.000 0.000) 0.000 5.318 ( -0.000 0.000 0.000) 0.000 5.655 ( -0.000 0.000 0.000) 0.000 5.710 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.171 ( 0.000 0.000 9.342) 9.342 0.373 ( 0.000 0.000 16.263) 16.263 0.587 ( 0.000 0.000 10.036) 10.036 0.762 ( 0.000 0.000 2.480) 2.480 0.950 ( 0.000 0.000 -8.340) 8.340 1.112 ( 0.000 0.000 10.446) 10.446 1.149 ( 0.000 0.000 -5.884) 5.884 1.408 ( 0.000 0.000 0.826) 0.826 1.435 ( 0.000 0.000 -0.470) 0.470 1.477 ( 0.000 0.000 1.310) 1.310 1.480 ( 0.000 0.000 1.860) 1.860 1.540 ( 0.000 0.000 -0.910) 0.910 1.542 ( 0.000 0.000 -0.657) 0.657 1.595 ( 0.000 0.000 -4.410) 4.410 1.884 ( 0.000 0.000 1.024) 1.024 1.963 ( 0.000 0.000 -1.548) 1.548 2.365 ( 0.000 0.000 5.709) 5.709 2.942 ( 0.000 0.000 -13.562) 13.562 3.332 ( 0.000 0.000 0.658) 0.658 3.380 ( 0.000 0.000 -0.999) 0.999 3.654 ( 0.000 0.000 2.366) 2.366 3.689 ( 0.000 0.000 -0.028) 0.028 3.691 ( 0.000 0.000 -0.126) 0.126 3.855 ( 0.000 0.000 -5.634) 5.634 3.858 ( 0.000 0.000 0.224) 0.224 3.870 ( 0.000 0.000 -0.180) 0.180 4.172 ( 0.000 0.000 3.428) 3.428 4.383 ( 0.000 0.000 6.272) 6.272 4.475 ( 0.000 0.000 -8.374) 8.374 4.616 ( 0.000 0.000 -4.683) 4.683 5.001 ( 0.000 0.000 5.014) 5.014 5.022 ( 0.000 0.000 0.164) 0.164 5.289 ( 0.000 0.000 -3.640) 3.640 5.339 ( 0.000 0.000 -2.340) 2.340 5.538 ( 0.000 0.000 5.032) 5.032 5.668 ( 0.000 0.000 -1.153) 1.153 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 12.904 -1.060 5.203) 13.954 0.489 ( 9.695 -2.638 10.353) 14.427 0.698 ( 7.639 -0.907 -2.982) 8.250 0.878 ( 13.114 -1.297 11.161) 17.269 0.967 ( 1.260 -0.429 -8.481) 8.585 1.131 ( 1.953 0.024 10.332) 10.515 1.160 ( 1.966 0.340 -1.861) 2.728 1.447 ( -0.221 0.845 0.925) 1.272 1.467 ( 2.834 0.938 -0.323) 3.002 1.473 ( 2.345 0.244 -0.429) 2.396 1.503 ( -1.894 -0.561 0.291) 1.996 1.506 ( 1.220 -0.028 -0.375) 1.277 1.631 ( 8.877 0.379 -1.929) 9.092 1.678 ( 10.370 -0.025 -2.600) 10.691 1.864 ( -1.167 1.018 0.859) 1.771 1.943 ( -2.252 -0.368 -1.720) 2.858 2.360 ( -0.568 -0.369 6.301) 6.338 2.932 ( -0.914 -0.491 -12.631) 12.674 3.383 ( 4.726 -0.002 -0.137) 4.728 3.399 ( 1.062 -0.049 0.060) 1.065 3.634 ( -1.531 -0.069 2.130) 2.624 3.731 ( 2.350 -0.260 -1.920) 3.046 3.736 ( 4.032 -0.035 -0.309) 4.044 3.820 ( -1.754 0.013 -4.283) 4.628 3.881 ( 2.133 -0.116 0.494) 2.192 3.909 ( 1.993 -0.097 -0.907) 2.192 4.186 ( 1.369 0.363 3.297) 3.588 4.437 ( 3.878 1.591 0.353) 4.207 4.480 ( 0.321 -0.798 -7.606) 7.654 4.578 ( -3.767 0.041 -3.366) 5.052 4.977 ( -1.165 2.526 5.171) 5.872 5.024 ( -0.057 0.274 0.623) 0.683 5.251 ( -3.792 6.586 1.465) 7.740 5.282 ( -2.102 -0.419 -4.668) 5.137 5.530 ( -1.193 -1.551 4.138) 4.577 5.603 ( -4.684 -1.015 2.554) 5.431 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 13.773 2.137 3.555) 14.384 0.702 ( 10.208 -2.070 4.881) 11.503 0.851 ( 8.193 -0.363 -4.721) 9.463 0.991 ( 1.231 0.486 -6.136) 6.277 1.162 ( 8.493 -0.589 1.865) 8.715 1.196 ( 8.852 -0.490 14.252) 16.784 1.217 ( 3.258 -0.546 0.901) 3.425 1.446 ( 1.469 1.428 -0.183) 2.057 1.484 ( 0.055 -0.899 -0.544) 1.052 1.507 ( 0.370 0.399 -0.499) 0.738 1.523 ( 3.431 1.118 -0.374) 3.628 1.535 ( 3.378 -0.287 -0.602) 3.444 1.768 ( 0.676 0.191 1.755) 1.890 1.887 ( -2.803 -0.472 -1.708) 3.316 1.922 ( 11.611 0.305 -0.773) 11.641 1.968 ( 18.109 0.103 -1.642) 18.184 2.348 ( -0.816 -0.383 7.718) 7.771 2.921 ( -0.431 -0.691 -11.211) 11.241 3.401 ( -1.161 -0.059 2.533) 2.787 3.485 ( 5.017 -0.146 -1.787) 5.328 3.606 ( -1.020 -0.141 2.465) 2.672 3.765 ( 1.240 -0.462 -0.847) 1.571 3.792 ( -0.991 0.069 -4.764) 4.866 3.816 ( 3.561 -0.230 -1.854) 4.021 3.926 ( 2.181 -0.079 0.878) 2.353 3.941 ( 1.299 -0.191 -0.053) 1.314 4.226 ( 3.135 0.573 1.965) 3.744 4.442 ( -4.283 1.249 -6.216) 7.651 4.485 ( 0.081 -0.117 0.753) 0.766 4.517 ( -0.942 -1.169 -1.386) 2.043 4.943 ( -1.194 1.505 4.875) 5.240 5.007 ( -1.912 0.175 2.514) 3.163 5.154 ( -2.118 6.557 -0.309) 6.897 5.239 ( -3.350 -1.192 -5.521) 6.567 5.516 ( -0.743 -0.323 2.853) 2.965 5.530 ( -3.111 -0.153 3.676) 4.818 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 11.925 3.875 2.643) 12.815 0.868 ( 6.085 -0.724 2.021) 6.452 0.991 ( 5.256 2.075 -3.208) 6.498 1.015 ( 2.783 0.105 -3.157) 4.210 1.251 ( 0.967 0.771 0.883) 1.520 1.258 ( 5.288 0.848 5.270) 7.513 1.357 ( 4.353 2.168 2.804) 5.613 1.472 ( 1.284 0.601 -0.271) 1.443 1.498 ( 1.277 2.226 0.334) 2.587 1.505 ( 0.244 0.590 0.665) 0.922 1.616 ( 6.015 -1.518 0.380) 6.215 1.644 ( 6.755 -2.448 -0.840) 7.234 1.751 ( -0.898 -2.096 1.764) 2.883 1.832 ( -3.497 -3.304 -1.138) 4.944 2.194 ( 12.733 -0.444 1.898) 12.882 2.315 ( 17.097 0.212 -1.369) 17.153 2.344 ( 2.029 -0.006 8.411) 8.652 2.922 ( 0.199 -0.433 -10.330) 10.341 3.348 ( -4.278 -0.014 3.850) 5.755 3.529 ( -0.499 0.106 -2.841) 2.887 3.630 ( 3.057 -0.380 1.527) 3.438 3.785 ( 0.938 -0.022 -0.768) 1.213 3.799 ( 1.814 -0.260 -4.138) 4.525 3.849 ( -0.370 -0.334 -2.512) 2.561 3.962 ( 1.776 0.158 0.364) 1.820 3.970 ( 1.945 -0.193 0.657) 2.062 4.290 ( 3.442 0.622 0.560) 3.542 4.339 ( -4.225 0.183 -0.000) 4.229 4.486 ( -0.285 -0.248 2.336) 2.367 4.517 ( 0.003 -0.423 -2.387) 2.425 4.912 ( -1.550 0.747 3.979) 4.335 4.947 ( -4.065 -0.002 4.068) 5.751 5.096 ( -1.657 3.966 -2.667) 5.058 5.170 ( -4.155 -0.965 -5.640) 7.071 5.472 ( -2.161 1.066 4.137) 4.788 5.525 ( 1.155 0.876 1.428) 2.035 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.705 0.179 0.835) 1.907 0.988 ( 4.474 3.583 0.322) 5.741 1.034 ( 3.936 1.488 -0.042) 4.208 1.084 ( 2.373 2.387 -0.519) 3.406 1.228 ( -1.094 3.921 1.173) 4.237 1.354 ( 4.360 3.944 -2.694) 6.467 1.410 ( 4.191 1.035 5.712) 7.160 1.472 ( -0.626 -0.210 1.458) 1.600 1.519 ( 1.854 1.025 0.516) 2.180 1.534 ( 3.390 1.047 -0.316) 3.562 1.686 ( -0.261 -2.928 1.510) 3.305 1.769 ( 4.812 -2.483 -0.519) 5.439 1.789 ( -3.497 -4.716 -1.008) 5.956 1.811 ( 4.517 -3.812 -1.265) 6.044 2.266 ( -1.388 -0.326 11.402) 11.491 2.508 ( 10.897 -0.243 2.252) 11.129 2.592 ( 11.145 -0.040 -1.475) 11.243 2.929 ( 0.339 0.075 -10.273) 10.279 3.253 ( -5.130 0.141 3.583) 6.259 3.490 ( -3.691 0.156 -6.203) 7.220 3.691 ( 3.843 -0.084 2.903) 4.817 3.805 ( 0.916 -0.044 0.153) 0.930 3.848 ( 1.297 0.008 -0.736) 1.491 3.859 ( 4.164 -0.035 -4.698) 6.278 4.001 ( 1.974 0.053 0.343) 2.004 4.008 ( 2.277 -0.160 0.109) 2.285 4.272 ( -2.145 0.152 3.428) 4.047 4.360 ( 3.037 0.217 -0.114) 3.047 4.481 ( -0.077 -0.226 3.957) 3.964 4.519 ( -0.029 -0.051 -3.604) 3.605 4.849 ( -4.972 0.590 3.376) 6.039 4.889 ( -1.636 -0.069 3.324) 3.705 5.033 ( -3.634 0.628 -1.429) 3.955 5.104 ( -2.814 0.351 -6.698) 7.273 5.433 ( -1.314 1.309 5.082) 5.409 5.545 ( 1.351 1.306 -0.288) 1.901 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.622 0.161 0.084) 0.647 0.997 ( -0.666 0.789 -1.337) 1.689 1.066 ( -1.403 2.379 1.942) 3.376 1.098 ( 2.143 2.843 1.083) 3.722 1.200 ( 0.484 3.403 2.801) 4.434 1.400 ( 3.074 3.380 -3.657) 5.852 1.462 ( -0.222 -0.272 2.356) 2.382 1.478 ( 2.035 0.183 4.136) 4.613 1.573 ( 3.735 0.574 -1.262) 3.984 1.591 ( 2.344 -0.028 -1.000) 2.549 1.686 ( -0.673 -2.425 0.912) 2.676 1.746 ( -3.185 -3.500 -0.673) 4.780 1.855 ( 2.848 -1.836 -0.303) 3.402 1.891 ( 1.786 -2.411 -1.896) 3.549 2.231 ( -1.837 -0.001 14.013) 14.133 2.664 ( 5.157 -0.265 1.545) 5.390 2.734 ( 4.153 -0.129 -1.053) 4.286 2.933 ( 0.108 0.338 -10.869) 10.874 3.170 ( -3.148 0.181 2.917) 4.296 3.407 ( -3.829 0.010 -6.948) 7.934 3.793 ( 6.051 0.270 3.004) 6.761 3.817 ( 0.470 0.003 0.672) 0.820 3.888 ( 2.274 0.105 -1.641) 2.806 3.934 ( 3.013 0.112 -4.458) 5.381 4.012 ( -0.512 -0.159 2.212) 2.276 4.076 ( 3.995 -0.061 -1.022) 4.124 4.237 ( -1.568 -0.008 5.931) 6.134 4.396 ( 0.447 -0.079 -0.118) 0.469 4.509 ( 3.571 0.034 4.198) 5.512 4.516 ( -0.159 -0.008 -5.235) 5.238 4.740 ( -6.211 0.321 2.524) 6.712 4.870 ( -0.367 0.011 2.572) 2.598 4.962 ( -3.460 -0.261 -0.304) 3.483 5.060 ( -1.581 0.447 -7.005) 7.195 5.407 ( -0.781 0.818 5.699) 5.810 5.558 ( 0.607 0.858 -1.334) 1.698 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 148 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 -0.000 -0.646) 0.646 0.976 ( 0.000 -0.000 -0.218) 0.218 1.043 ( 0.000 -0.000 2.233) 2.233 1.105 ( 0.000 -0.000 -0.496) 0.496 1.199 ( 0.000 -0.000 4.686) 4.686 1.423 ( 0.000 -0.000 -2.861) 2.861 1.460 ( 0.000 -0.000 2.252) 2.252 1.497 ( 0.000 -0.000 3.858) 3.858 1.610 ( 0.000 -0.000 -2.023) 2.023 1.617 ( 0.000 -0.000 -2.711) 2.711 1.689 ( -0.000 -0.000 0.224) 0.224 1.719 ( 0.000 -0.000 -0.299) 0.299 1.891 ( 0.000 -0.000 0.061) 0.061 1.909 ( 0.000 -0.000 -1.448) 1.448 2.212 ( 0.000 -0.000 14.798) 14.798 2.712 ( 0.000 -0.000 1.257) 1.257 2.771 ( 0.000 -0.000 -0.818) 0.818 2.932 ( 0.000 -0.000 -11.220) 11.220 3.139 ( 0.000 -0.000 2.642) 2.642 3.369 ( 0.000 -0.000 -6.549) 6.549 3.819 ( 0.000 -0.000 0.683) 0.683 3.868 ( 0.000 -0.000 0.631) 0.631 3.913 ( 0.000 -0.000 -2.448) 2.448 3.962 ( 0.000 -0.000 -4.135) 4.135 3.998 ( 0.000 -0.000 4.896) 4.896 4.122 ( 0.000 -0.000 -1.458) 1.458 4.220 ( 0.000 -0.000 7.408) 7.408 4.395 ( 0.000 -0.000 0.205) 0.205 4.512 ( 0.000 -0.000 -6.376) 6.376 4.604 ( 0.000 -0.000 11.071) 11.071 4.622 ( -0.000 -0.000 -5.089) 5.089 4.871 ( 0.000 -0.000 2.229) 2.229 4.923 ( 0.000 -0.000 0.106) 0.106 5.043 ( 0.000 -0.000 -6.911) 6.911 5.397 ( 0.000 -0.000 5.904) 5.904 5.561 ( 0.000 -0.000 -1.682) 1.682 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 14.359 0.000 2.901) 14.650 0.688 ( 10.806 0.000 5.326) 12.048 0.848 ( 8.576 0.000 -4.644) 9.752 0.993 ( 1.396 0.000 -6.723) 6.867 1.157 ( 10.971 0.000 1.878) 11.131 1.194 ( 7.407 0.000 14.423) 16.214 1.214 ( 2.792 0.000 0.908) 2.936 1.453 ( 1.388 0.000 -0.414) 1.448 1.479 ( 0.222 0.000 -0.362) 0.425 1.509 ( 0.244 0.000 -0.288) 0.377 1.531 ( 3.212 0.000 -0.429) 3.240 1.533 ( 3.496 0.000 -0.628) 3.552 1.770 ( 0.378 0.000 1.944) 1.981 1.883 ( -3.916 -0.000 -1.036) 4.051 1.925 ( 11.722 0.000 -1.281) 11.791 1.968 ( 18.244 0.000 -1.746) 18.328 2.346 ( -0.716 -0.000 7.515) 7.549 2.917 ( -0.334 -0.000 -11.339) 11.344 3.400 ( -1.171 -0.000 2.559) 2.814 3.484 ( 5.052 0.000 -1.731) 5.341 3.605 ( -1.048 -0.000 2.464) 2.678 3.762 ( 1.345 0.000 -1.212) 1.811 3.792 ( -1.038 -0.000 -4.560) 4.677 3.815 ( 3.508 0.000 -1.920) 3.999 3.925 ( 2.280 0.000 0.911) 2.455 3.940 ( 1.294 0.000 -0.067) 1.296 4.229 ( 3.057 0.000 2.057) 3.685 4.449 ( -5.197 -0.000 -6.146) 8.049 4.485 ( 0.752 0.000 0.885) 1.161 4.510 ( -0.897 -0.000 -1.832) 2.040 4.951 ( -1.690 -0.000 4.992) 5.271 5.008 ( -2.104 -0.000 2.725) 3.443 5.199 ( -3.032 -0.000 -3.994) 5.014 5.224 ( -3.685 -0.000 -3.712) 5.230 5.514 ( 0.122 0.000 3.594) 3.596 5.529 ( -3.042 -0.000 3.647) 4.749 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( 7.329 0.103 2.376) 7.705 0.870 ( 11.514 1.469 2.101) 11.796 1.005 ( 6.947 0.607 -2.795) 7.513 1.016 ( 1.403 0.035 -3.718) 3.974 1.254 ( 1.451 -0.005 0.900) 1.707 1.263 ( 5.724 0.240 5.411) 7.880 1.370 ( 5.283 0.434 1.738) 5.579 1.476 ( 0.330 0.196 -0.148) 0.412 1.511 ( 2.409 0.492 1.271) 2.767 1.519 ( 1.531 1.042 0.680) 1.973 1.608 ( 5.085 -0.069 0.070) 5.086 1.629 ( 6.157 -0.656 -0.767) 6.239 1.734 ( -2.092 -0.961 1.847) 2.951 1.802 ( -4.649 -1.780 -0.699) 5.027 2.191 ( 12.331 -0.141 1.822) 12.466 2.316 ( 17.307 0.090 -1.604) 17.381 2.344 ( 2.041 -0.007 8.430) 8.673 2.919 ( 0.420 -0.160 -10.390) 10.400 3.348 ( -4.226 -0.009 3.931) 5.772 3.529 ( -0.439 0.040 -2.750) 2.785 3.627 ( 3.104 -0.135 1.586) 3.489 3.784 ( 0.942 -0.018 -0.514) 1.073 3.798 ( 1.913 -0.075 -4.542) 4.929 3.846 ( -0.252 -0.122 -2.447) 2.463 3.964 ( 1.626 0.158 0.181) 1.644 3.968 ( 2.136 -0.166 0.857) 2.307 4.295 ( 3.684 0.273 0.669) 3.754 4.340 ( -4.779 -0.014 0.290) 4.788 4.485 ( -0.401 -0.046 2.681) 2.712 4.514 ( 0.349 -0.186 -3.186) 3.210 4.918 ( -1.682 0.307 4.095) 4.438 4.947 ( -4.140 -0.050 3.960) 5.729 5.130 ( -3.880 2.490 -3.142) 5.579 5.157 ( -3.284 -1.424 -6.072) 7.049 5.481 ( -1.989 0.480 4.515) 4.957 5.531 ( 1.462 0.298 1.541) 2.145 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 1.920 0.017 0.935) 2.135 1.013 ( 0.976 1.128 -1.597) 2.185 1.057 ( 6.522 2.415 1.169) 7.052 1.103 ( 2.829 1.086 -0.398) 3.056 1.261 ( -0.158 2.220 1.101) 2.483 1.384 ( 6.287 1.488 0.454) 6.477 1.423 ( 2.423 1.315 1.885) 3.339 1.471 ( -0.555 -0.053 1.915) 1.994 1.535 ( 1.652 1.979 0.827) 2.707 1.548 ( 1.998 1.383 -0.117) 2.433 1.659 ( -0.466 -2.091 1.721) 2.748 1.728 ( -1.136 -4.392 0.304) 4.547 1.758 ( 2.970 -1.220 -1.631) 3.601 1.775 ( 4.579 -2.783 -1.459) 5.553 2.264 ( -1.152 -0.174 11.522) 11.581 2.507 ( 10.751 -0.113 2.355) 11.006 2.592 ( 11.064 -0.022 -1.495) 11.164 2.930 ( 0.546 0.041 -10.229) 10.243 3.254 ( -5.076 0.079 3.769) 6.322 3.491 ( -3.740 0.092 -6.000) 7.071 3.690 ( 4.060 -0.043 3.018) 5.059 3.804 ( 0.932 -0.028 0.200) 0.953 3.848 ( 1.388 0.007 -0.644) 1.530 3.859 ( 4.287 -0.028 -4.648) 6.323 4.002 ( 1.875 0.143 0.391) 1.920 4.006 ( 2.303 -0.199 0.109) 2.315 4.274 ( -2.320 0.089 3.595) 4.279 4.361 ( 2.979 0.069 -0.013) 2.980 4.479 ( 0.054 -0.114 3.956) 3.958 4.518 ( 0.042 -0.026 -3.870) 3.870 4.854 ( -5.199 0.372 3.489) 6.272 4.889 ( -1.536 -0.086 3.291) 3.633 5.039 ( -4.585 0.435 -1.094) 4.734 5.107 ( -2.530 0.096 -7.540) 7.954 5.445 ( -1.472 0.857 5.390) 5.653 5.556 ( 1.214 0.722 -0.166) 1.422 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.957 ( 0.475 0.119 0.088) 0.497 1.003 ( -0.991 0.384 -1.461) 1.806 1.092 ( -1.590 2.279 1.886) 3.359 1.127 ( 1.079 2.376 0.591) 2.675 1.232 ( -1.204 2.604 3.023) 4.168 1.430 ( 0.964 2.162 -3.359) 4.109 1.461 ( -0.288 -0.063 2.615) 2.632 1.480 ( 2.176 0.298 3.828) 4.414 1.579 ( 3.424 0.447 -0.946) 3.580 1.583 ( 1.389 -1.283 -0.861) 2.078 1.670 ( 1.202 -0.593 0.686) 1.505 1.713 ( -0.849 -2.393 -0.308) 2.558 1.836 ( 2.995 -1.555 -1.114) 3.554 1.865 ( 2.919 -2.369 -1.767) 4.154 2.231 ( -1.837 -0.078 14.377) 14.494 2.662 ( 5.332 -0.109 1.592) 5.565 2.733 ( 4.165 -0.104 -1.048) 4.296 2.936 ( 0.050 0.215 -10.824) 10.826 3.172 ( -3.200 0.131 3.107) 4.462 3.407 ( -3.906 -0.011 -6.657) 7.718 3.795 ( 6.150 0.228 3.150) 6.913 3.817 ( 0.437 -0.038 0.686) 0.814 3.889 ( 2.274 0.099 -1.568) 2.764 3.935 ( 3.001 0.071 -4.389) 5.318 4.011 ( -0.570 -0.090 2.216) 2.290 4.075 ( 4.069 -0.073 -1.012) 4.193 4.237 ( -1.595 -0.020 6.019) 6.227 4.395 ( 0.359 -0.072 -0.026) 0.367 4.509 ( 3.627 0.033 4.259) 5.594 4.516 ( -0.195 0.003 -5.394) 5.398 4.743 ( -6.339 0.240 2.566) 6.843 4.870 ( -0.324 0.001 2.603) 2.623 4.960 ( -3.501 -0.113 -0.147) 3.506 5.064 ( -1.740 0.239 -7.416) 7.621 5.415 ( -1.180 0.645 5.905) 6.056 5.566 ( 0.223 0.611 -1.246) 1.406 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.530 -0.145 -0.608) 0.819 0.979 ( -1.036 0.390 -0.397) 1.176 1.048 ( -1.127 0.979 2.339) 2.774 1.108 ( -1.666 0.515 -0.367) 1.782 1.193 ( -2.457 -1.146 4.560) 5.305 1.415 ( -2.346 -1.378 -3.065) 4.098 1.461 ( 0.242 0.028 2.231) 2.245 1.496 ( -0.232 -0.095 4.076) 4.083 1.603 ( -0.114 -1.194 -0.861) 1.477 1.615 ( -0.365 -0.104 -3.451) 3.472 1.703 ( 1.946 2.065 -0.049) 2.838 1.727 ( 2.436 1.462 -0.434) 2.874 1.886 ( 1.338 -0.751 -0.151) 1.542 1.907 ( 1.001 -0.318 -1.276) 1.653 2.210 ( -0.127 -0.246 14.866) 14.868 2.713 ( 0.204 0.190 1.262) 1.293 2.771 ( 0.086 -0.032 -0.839) 0.844 2.932 ( -0.300 -0.084 -11.215) 11.219 3.139 ( -0.127 -0.012 2.647) 2.650 3.369 ( 0.035 -0.022 -6.543) 6.543 3.819 ( -0.021 -0.007 0.681) 0.682 3.868 ( -0.318 -0.002 0.631) 0.706 3.913 ( -0.129 -0.012 -2.442) 2.446 3.962 ( -0.083 -0.001 -4.148) 4.149 3.999 ( 0.288 0.045 4.885) 4.894 4.122 ( -0.031 -0.020 -1.450) 1.450 4.220 ( 0.020 -0.007 7.409) 7.409 4.395 ( 0.130 0.005 0.202) 0.241 4.512 ( 0.011 0.024 -6.375) 6.375 4.604 ( 0.800 -0.021 11.005) 11.034 4.622 ( -1.010 0.013 -5.019) 5.120 4.871 ( -0.079 0.000 2.228) 2.230 4.923 ( 0.260 0.002 0.105) 0.281 5.043 ( -0.263 0.002 -6.912) 6.917 5.397 ( -0.456 0.006 5.904) 5.921 5.561 ( -0.494 -0.000 -1.681) 1.752 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -0.932 -0.139 0.104) 0.948 0.986 ( 0.005 -1.129 -0.923) 1.459 1.043 ( 0.022 -1.960 2.058) 2.842 1.072 ( -2.648 -2.022 1.492) 3.650 1.163 ( -1.446 -3.404 2.309) 4.359 1.362 ( -4.271 -3.576 -3.830) 6.760 1.466 ( 0.228 0.379 2.106) 2.152 1.476 ( -1.896 -0.064 4.288) 4.689 1.568 ( -3.878 -0.446 -1.480) 4.174 1.586 ( -2.418 -0.716 -0.740) 2.628 1.718 ( 1.405 3.231 0.776) 3.608 1.782 ( 3.831 3.029 -1.198) 5.028 1.875 ( -1.921 1.943 0.320) 2.751 1.914 ( -0.625 1.734 -1.746) 2.539 2.231 ( 1.941 -0.152 13.613) 13.752 2.668 ( -5.007 0.410 1.477) 5.236 2.736 ( -4.123 0.115 -1.073) 4.262 2.929 ( -0.144 -0.397 -10.919) 10.927 3.168 ( 3.094 -0.184 2.701) 4.111 3.407 ( 3.746 -0.037 -7.273) 8.181 3.790 ( -6.023 -0.240 2.900) 6.690 3.817 ( -0.422 -0.049 0.592) 0.729 3.887 ( -2.261 -0.073 -1.738) 2.853 3.933 ( -3.035 -0.130 -4.550) 5.471 4.014 ( 0.451 0.196 2.205) 2.259 4.076 ( -3.921 0.019 -1.019) 4.052 4.237 ( 1.529 -0.015 5.828) 6.025 4.397 ( -0.595 0.052 -0.243) 0.645 4.509 ( -3.550 -0.022 4.201) 5.500 4.516 ( 0.175 0.024 -5.093) 5.096 4.736 ( 6.072 -0.312 2.472) 6.563 4.870 ( 0.406 -0.023 2.527) 2.559 4.965 ( 3.564 0.427 -0.498) 3.624 5.054 ( 1.219 -0.633 -6.457) 6.601 5.399 ( 0.398 -0.736 5.397) 5.462 5.549 ( -1.081 -0.889 -1.430) 2.001 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.930 ( -3.806 -2.403 0.795) 4.570 0.951 ( -4.046 -2.156 1.473) 4.815 1.020 ( -3.125 -1.492 -0.509) 3.500 1.057 ( -1.413 -2.486 -0.228) 2.868 1.183 ( 1.342 -4.246 1.017) 4.568 1.308 ( -3.567 -4.497 -3.185) 6.564 1.401 ( -5.443 -0.710 6.602) 8.586 1.476 ( 0.612 0.402 0.905) 1.164 1.512 ( -1.766 -0.366 0.124) 1.808 1.526 ( -3.977 -0.694 -0.271) 4.046 1.719 ( -0.119 3.060 1.358) 3.350 1.792 ( -3.505 2.095 -0.886) 4.179 1.839 ( 1.980 4.375 -0.668) 4.849 1.852 ( -3.767 3.725 -1.241) 5.441 2.270 ( 1.778 0.417 11.241) 11.388 2.512 ( -11.108 0.362 2.091) 11.308 2.593 ( -11.256 0.049 -1.442) 11.348 2.929 ( -0.042 -0.093 -10.332) 10.333 3.252 ( 5.199 -0.168 3.326) 6.174 3.488 ( 3.644 -0.172 -6.491) 7.446 3.692 ( -3.536 0.113 2.746) 4.478 3.805 ( -0.881 0.046 0.087) 0.887 3.848 ( -1.211 -0.011 -0.866) 1.488 3.859 ( -3.972 0.024 -4.774) 6.211 4.001 ( -2.024 0.062 0.318) 2.050 4.009 ( -2.309 0.080 0.070) 2.311 4.270 ( 1.956 -0.175 3.227) 3.778 4.357 ( -3.212 -0.412 -0.270) 3.249 4.484 ( 0.280 0.302 4.025) 4.046 4.519 ( 0.108 0.070 -3.291) 3.294 4.842 ( 4.769 -0.640 3.266) 5.816 4.890 ( 1.621 -0.011 3.311) 3.687 5.027 ( 2.201 -0.513 -1.756) 2.862 5.099 ( 3.284 -0.718 -5.511) 6.456 5.419 ( 1.244 -1.193 4.477) 4.798 5.529 ( -1.579 -1.622 -0.432) 2.304 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.793 ( -10.697 -3.676 2.994) 11.700 0.878 ( -5.596 1.191 1.718) 5.974 0.964 ( -4.606 -2.923 -3.271) 6.361 1.013 ( -2.905 -0.403 -2.490) 3.847 1.232 ( -0.090 -2.843 0.873) 2.975 1.245 ( -4.168 -1.720 4.001) 6.028 1.325 ( -3.910 -3.523 5.162) 7.372 1.457 ( -3.183 -1.939 0.271) 3.737 1.486 ( 0.292 0.002 -0.463) 0.548 1.502 ( 0.274 -0.056 -0.268) 0.387 1.639 ( -6.279 2.635 0.615) 6.837 1.681 ( -7.225 4.254 -1.038) 8.449 1.774 ( -0.524 1.946 1.590) 2.567 1.865 ( 1.954 2.680 -1.725) 3.738 2.200 ( -13.454 0.737 1.982) 13.619 2.312 ( -16.993 -0.222 -1.146) 17.033 2.344 ( -1.685 -0.004 8.585) 8.749 2.928 ( 0.167 0.579 -10.221) 10.239 3.348 ( 4.358 -0.004 3.697) 5.714 3.527 ( 0.586 -0.137 -3.013) 3.073 3.635 ( -2.978 0.537 1.422) 3.343 3.785 ( -1.024 -0.017 -1.188) 1.569 3.803 ( -1.514 0.480 -3.525) 3.866 3.853 ( 0.602 0.454 -2.586) 2.694 3.961 ( -1.787 -0.032 0.409) 1.834 3.972 ( -1.850 0.125 0.566) 1.939 4.283 ( -3.383 -0.692 0.389) 3.475 4.335 ( 3.585 -0.637 -0.428) 3.666 4.490 ( 0.292 0.549 2.176) 2.263 4.522 ( 0.407 0.437 -1.501) 1.616 4.903 ( 1.157 -0.939 3.851) 4.129 4.946 ( 4.047 -0.262 4.271) 5.890 5.048 ( -0.952 -4.758 -1.297) 5.022 5.178 ( 4.499 0.586 -5.500) 7.130 5.461 ( 2.540 -0.964 3.448) 4.390 5.513 ( -0.646 -1.322 1.236) 1.922 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -11.662 -0.469 4.242) 12.418 0.725 ( -9.088 2.238 3.959) 10.162 0.854 ( -7.078 0.105 -4.175) 8.218 0.983 ( -0.964 -0.911 -4.623) 4.810 1.162 ( -4.549 -0.623 4.135) 6.179 1.204 ( -10.222 0.670 11.642) 15.507 1.223 ( -3.218 0.504 0.439) 3.287 1.424 ( -1.606 -2.564 0.586) 3.082 1.492 ( 0.424 0.106 -1.423) 1.488 1.505 ( -1.277 0.630 -0.596) 1.543 1.514 ( -3.651 -0.203 -0.183) 3.661 1.543 ( -4.059 1.353 -0.586) 4.318 1.766 ( -1.426 -0.161 1.293) 1.931 1.883 ( -3.329 -1.423 -2.608) 4.462 1.925 ( -7.741 0.818 -0.213) 7.787 1.966 ( -17.964 -0.267 -1.429) 18.022 2.354 ( 1.069 0.672 8.265) 8.360 2.931 ( 0.676 1.137 -10.870) 10.950 3.401 ( 1.141 0.081 2.454) 2.708 3.487 ( -4.927 0.207 -1.947) 5.301 3.608 ( 0.942 0.281 2.473) 2.662 3.770 ( -0.917 0.440 -0.046) 1.018 3.792 ( 0.817 0.313 -5.160) 5.234 3.820 ( -3.703 0.426 -1.655) 4.078 3.928 ( -1.946 0.283 0.789) 2.119 3.943 ( -1.266 0.258 -0.020) 1.292 4.217 ( -3.393 -1.014 1.732) 3.943 4.425 ( 3.228 -1.843 -6.353) 7.361 4.488 ( 0.003 0.352 0.873) 0.942 4.531 ( 1.345 1.369 -0.734) 2.055 4.918 ( -0.653 -3.309 4.694) 5.780 5.002 ( 0.896 -1.028 1.620) 2.117 5.076 ( 1.370 -7.371 4.738) 8.869 5.247 ( 2.775 0.396 -6.050) 6.668 5.521 ( 2.503 0.532 1.716) 3.081 5.532 ( 3.362 0.176 3.430) 4.807 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.380 ( -7.963 5.182 6.296) 11.398 0.532 ( -8.408 4.934 9.003) 13.270 0.715 ( -7.120 2.122 -4.157) 8.514 0.904 ( -13.301 3.616 11.204) 17.763 0.975 ( -0.557 0.972 -7.041) 7.130 1.131 ( -1.643 -0.029 9.934) 10.069 1.154 ( -2.596 -0.595 -0.915) 2.817 1.429 ( 0.364 -2.455 1.136) 2.730 1.456 ( -2.963 -0.923 -0.417) 3.131 1.464 ( -2.357 -1.449 -0.563) 2.823 1.506 ( -1.266 0.067 -0.477) 1.355 1.512 ( 1.021 0.976 0.134) 1.419 1.624 ( -9.156 -0.862 -1.640) 9.341 1.677 ( -9.761 -0.085 -2.735) 10.137 1.844 ( 0.742 -2.645 0.895) 2.889 1.947 ( 2.578 0.289 -3.514) 4.368 2.367 ( 0.726 0.965 6.928) 7.033 2.941 ( 0.991 1.275 -12.205) 12.311 3.383 ( -4.631 0.017 -0.170) 4.634 3.400 ( -1.270 0.098 -0.017) 1.274 3.635 ( 1.555 0.219 2.220) 2.719 3.736 ( -3.123 0.440 -1.181) 3.367 3.738 ( -3.500 0.249 -0.614) 3.562 3.820 ( 1.903 0.107 -4.484) 4.872 3.884 ( -2.131 0.351 0.530) 2.224 3.911 ( -2.023 0.292 -0.928) 2.244 4.178 ( -1.345 -1.226 3.389) 3.847 4.413 ( -4.689 -2.578 -0.272) 5.358 4.485 ( -0.593 -0.428 -6.170) 6.214 4.580 ( 3.243 0.457 -1.985) 3.830 4.922 ( -1.559 -7.659 6.099) 9.914 5.017 ( 0.368 -1.345 1.029) 1.733 5.162 ( 2.756 -8.296 8.478) 12.178 5.282 ( 1.099 -0.298 -5.211) 5.334 5.552 ( 1.799 2.295 2.019) 3.547 5.618 ( 5.369 1.635 1.537) 5.820 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.254 ( -0.000 12.749 5.742) 13.982 0.404 ( -0.000 5.531 14.952) 15.942 0.594 ( -0.000 1.319 8.489) 8.591 0.771 ( -0.000 1.664 4.421) 4.724 0.959 ( -0.000 1.641 -8.146) 8.309 1.111 ( 0.000 -0.100 9.703) 9.703 1.148 ( 0.000 -0.483 -4.701) 4.726 1.407 ( 0.000 -0.311 0.720) 0.784 1.428 ( 0.000 -1.376 -0.286) 1.406 1.468 ( 0.000 -2.008 2.067) 2.881 1.476 ( 0.000 -0.273 1.188) 1.219 1.533 ( 0.000 -0.926 -0.848) 1.256 1.536 ( 0.000 -0.729 -0.867) 1.133 1.606 ( -0.000 1.309 -3.995) 4.204 1.871 ( 0.000 -2.360 0.927) 2.535 1.974 ( -0.000 1.572 -4.333) 4.609 2.370 ( -0.000 0.892 6.046) 6.111 2.947 ( -0.000 0.993 -13.298) 13.335 3.332 ( 0.000 -0.075 0.672) 0.676 3.380 ( -0.000 0.056 -1.009) 1.011 3.655 ( -0.000 0.191 2.417) 2.425 3.689 ( -0.000 0.089 -0.027) 0.093 3.692 ( -0.000 0.083 -0.123) 0.148 3.856 ( -0.000 0.197 -5.668) 5.671 3.859 ( -0.000 0.183 0.226) 0.291 3.871 ( -0.000 0.186 -0.178) 0.258 4.170 ( 0.000 -0.499 3.437) 3.473 4.360 ( 0.000 -3.876 7.525) 8.464 4.479 ( -0.000 0.283 -7.801) 7.806 4.613 ( 0.000 -0.395 -3.633) 3.654 4.951 ( 0.000 -8.314 5.932) 10.214 5.026 ( 0.000 -0.187 1.181) 1.195 5.247 ( 0.000 -10.569 7.443) 12.926 5.295 ( 0.000 -1.255 -4.808) 4.969 5.557 ( -0.000 2.630 2.570) 3.678 5.679 ( -0.000 1.537 -1.667) 2.267 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( 2.025 0.000 0.952) 2.238 1.018 ( 0.175 0.000 -1.994) 2.002 1.072 ( 7.091 0.000 1.244) 7.199 1.108 ( 2.761 0.000 -0.228) 2.770 1.273 ( 0.438 0.000 1.034) 1.123 1.391 ( 6.882 0.000 2.346) 7.271 1.431 ( 2.124 0.000 -0.288) 2.144 1.471 ( -0.479 -0.000 2.079) 2.133 1.552 ( 1.163 0.000 -0.037) 1.164 1.555 ( 1.413 0.000 0.936) 1.695 1.647 ( -0.619 -0.000 1.799) 1.902 1.700 ( -1.936 -0.000 0.386) 1.974 1.755 ( 4.243 0.000 -1.416) 4.473 1.757 ( 4.459 0.000 -1.719) 4.779 2.263 ( -1.075 -0.000 11.567) 11.617 2.506 ( 10.699 0.000 2.389) 10.963 2.592 ( 11.034 0.000 -1.501) 11.136 2.930 ( 0.620 0.000 -10.212) 10.231 3.255 ( -5.055 -0.000 3.836) 6.346 3.491 ( -3.761 -0.000 -5.927) 7.020 3.690 ( 4.138 0.000 3.060) 5.147 3.804 ( 0.935 0.000 0.217) 0.960 3.848 ( 1.430 0.000 -0.608) 1.554 3.858 ( 4.327 0.000 -4.634) 6.340 4.003 ( 1.292 0.000 0.735) 1.486 4.004 ( 2.857 0.000 -0.218) 2.866 4.274 ( -2.391 -0.000 3.661) 4.373 4.362 ( 2.973 0.000 0.019) 2.973 4.479 ( 0.098 0.000 3.966) 3.968 4.518 ( 0.071 0.000 -3.974) 3.975 4.856 ( -5.320 -0.000 3.543) 6.391 4.888 ( -1.457 -0.000 3.266) 3.576 5.042 ( -4.928 -0.000 -0.937) 5.017 5.107 ( -2.420 -0.000 -7.859) 8.223 5.450 ( -1.552 -0.000 5.477) 5.692 5.560 ( 1.168 0.000 -0.119) 1.174 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 0.416 0.044 0.092) 0.429 1.005 ( -1.089 0.109 -1.451) 1.818 1.111 ( -1.640 1.026 1.761) 2.616 1.145 ( 0.695 0.841 0.436) 1.174 1.253 ( -2.677 1.037 2.981) 4.138 1.445 ( -0.839 0.709 -2.900) 3.101 1.460 ( -0.430 -0.009 2.727) 2.761 1.483 ( 2.002 0.159 3.417) 3.963 1.569 ( 1.054 -0.916 -0.366) 1.444 1.583 ( 2.712 0.179 -0.775) 2.826 1.669 ( 2.840 0.119 0.402) 2.871 1.697 ( 1.565 -0.671 -0.288) 1.727 1.824 ( 2.790 -0.680 -1.873) 3.428 1.846 ( 3.667 -1.057 -1.412) 4.069 2.230 ( -1.870 -0.042 14.589) 14.709 2.662 ( 5.451 -0.022 1.613) 5.685 2.732 ( 4.165 -0.040 -1.050) 4.295 2.937 ( 0.007 0.072 -10.797) 10.797 3.173 ( -3.231 0.048 3.219) 4.561 3.407 ( -3.952 -0.008 -6.484) 7.594 3.797 ( 6.278 0.093 3.281) 7.084 3.816 ( 0.347 -0.026 0.648) 0.735 3.890 ( 2.268 0.041 -1.532) 2.737 3.936 ( 2.999 0.024 -4.354) 5.287 4.010 ( -0.605 -0.027 2.218) 2.299 4.075 ( 4.116 -0.033 -0.999) 4.236 4.237 ( -1.609 -0.010 6.070) 6.279 4.395 ( 0.324 -0.029 0.021) 0.326 4.510 ( 3.680 0.014 4.331) 5.683 4.516 ( -0.241 0.003 -5.511) 5.516 4.744 ( -6.415 0.089 2.589) 6.919 4.870 ( -0.295 -0.001 2.617) 2.634 4.959 ( -3.562 -0.028 -0.059) 3.563 5.065 ( -1.786 0.072 -7.630) 7.837 5.420 ( -1.435 0.245 6.002) 6.176 5.570 ( 0.011 0.220 -1.194) 1.214 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.462 -0.040 -0.671) 0.816 0.982 ( -1.134 0.218 -0.544) 1.276 1.062 ( -1.992 1.434 2.461) 3.476 1.113 ( -3.136 0.298 0.049) 3.150 1.179 ( -4.153 -1.232 4.192) 6.028 1.399 ( -3.776 -1.455 -3.355) 5.256 1.461 ( 0.407 0.029 2.178) 2.216 1.495 ( -0.218 -0.044 4.401) 4.407 1.592 ( 0.316 -0.844 -0.339) 0.963 1.615 ( -0.575 -0.000 -3.545) 3.592 1.724 ( 2.764 1.727 -0.199) 3.265 1.745 ( 3.557 1.442 -0.670) 3.897 1.878 ( 2.418 -0.702 -0.574) 2.582 1.902 ( 1.894 -0.521 -0.965) 2.188 2.207 ( -0.253 -0.246 15.003) 15.007 2.715 ( 0.363 0.193 1.276) 1.341 2.770 ( 0.148 -0.034 -0.887) 0.900 2.931 ( -0.526 -0.085 -11.204) 11.217 3.139 ( -0.220 -0.012 2.655) 2.665 3.369 ( 0.061 -0.022 -6.532) 6.533 3.818 ( -0.036 -0.007 0.678) 0.679 3.868 ( -0.551 -0.002 0.632) 0.838 3.913 ( -0.217 -0.012 -2.430) 2.440 3.962 ( -0.145 -0.001 -4.173) 4.175 3.999 ( 0.493 0.045 4.863) 4.888 4.122 ( -0.052 -0.020 -1.433) 1.434 4.220 ( 0.033 -0.007 7.412) 7.412 4.395 ( 0.226 0.005 0.198) 0.300 4.513 ( 0.021 0.024 -6.372) 6.372 4.604 ( 1.351 -0.021 10.880) 10.964 4.623 ( -1.714 0.012 -4.888) 5.180 4.871 ( -0.137 0.000 2.226) 2.230 4.923 ( 0.451 0.002 0.104) 0.463 5.043 ( -0.455 0.002 -6.913) 6.928 5.397 ( -0.789 0.006 5.904) 5.957 5.561 ( -0.855 -0.000 -1.680) 1.885 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( -1.518 0.046 0.190) 1.530 0.974 ( -0.842 -1.097 -0.465) 1.459 1.026 ( -2.796 -1.338 2.720) 4.124 1.056 ( -1.477 -0.931 1.313) 2.184 1.131 ( -1.727 -2.501 1.693) 3.479 1.328 ( -4.600 -2.708 -4.009) 6.676 1.470 ( 0.305 0.336 1.866) 1.921 1.476 ( -1.880 -0.018 4.456) 4.837 1.564 ( -3.944 -0.273 -1.628) 4.275 1.578 ( -2.229 -0.685 -0.445) 2.374 1.751 ( 1.480 2.848 0.490) 3.247 1.805 ( 3.036 1.358 -1.341) 3.586 1.896 ( -0.258 2.025 0.344) 2.070 1.927 ( 0.292 0.734 -1.346) 1.561 2.228 ( 2.140 -0.237 13.299) 13.473 2.673 ( -4.927 0.400 1.411) 5.141 2.737 ( -4.081 0.075 -1.105) 4.229 2.925 ( -0.147 -0.335 -10.964) 10.970 3.167 ( 3.051 -0.136 2.515) 3.957 3.407 ( 3.680 -0.045 -7.543) 8.393 3.788 ( -6.035 -0.162 2.843) 6.673 3.816 ( -0.345 -0.058 0.492) 0.604 3.886 ( -2.242 -0.034 -1.834) 2.896 3.931 ( -3.062 -0.107 -4.643) 5.562 4.016 ( 0.403 0.166 2.196) 2.239 4.076 ( -3.869 -0.010 -1.002) 3.997 4.237 ( 1.489 -0.026 5.740) 5.930 4.397 ( -0.767 0.019 -0.367) 0.851 4.509 ( -3.557 -0.009 4.245) 5.538 4.516 ( 0.230 0.030 -4.983) 4.989 4.733 ( 5.958 -0.221 2.421) 6.435 4.870 ( 0.430 -0.024 2.479) 2.516 4.970 ( 3.890 0.475 -0.686) 3.979 5.047 ( 0.641 -0.642 -5.907) 5.976 5.392 ( 0.147 -0.480 5.078) 5.103 5.540 ( -1.524 -0.674 -1.508) 2.247 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -6.543 -3.447 1.749) 7.599 0.941 ( -1.445 -0.430 0.584) 1.616 1.000 ( -2.671 -2.246 0.511) 3.527 1.037 ( -1.525 -1.249 -0.141) 1.976 1.142 ( 1.166 -3.328 0.639) 3.583 1.264 ( -3.584 -3.509 -3.113) 5.903 1.395 ( -6.088 -0.488 6.625) 9.010 1.480 ( 0.607 0.459 0.421) 0.870 1.509 ( -1.635 -0.154 -0.068) 1.644 1.519 ( -3.975 -0.550 -0.216) 4.019 1.749 ( -0.651 2.508 1.293) 2.896 1.812 ( -1.991 1.635 -0.880) 2.722 1.878 ( -0.827 2.996 -0.461) 3.142 1.888 ( -1.978 2.911 -1.472) 3.815 2.275 ( 2.243 0.396 11.078) 11.310 2.516 ( -11.327 0.391 1.904) 11.492 2.593 ( -11.366 0.046 -1.401) 11.452 2.928 ( 0.272 -0.087 -10.390) 10.394 3.250 ( 5.262 -0.150 3.065) 6.091 3.486 ( 3.619 -0.141 -6.792) 7.698 3.693 ( -3.214 0.113 2.586) 4.127 3.806 ( -0.828 0.039 0.022) 0.830 3.848 ( -1.141 -0.015 -1.020) 1.530 3.859 ( -3.780 0.009 -4.847) 6.147 4.002 ( -2.034 0.165 0.299) 2.062 4.010 ( -2.358 -0.026 0.024) 2.358 4.269 ( 1.816 -0.152 3.053) 3.556 4.352 ( -3.494 -0.504 -0.418) 3.554 4.487 ( 0.505 0.290 4.167) 4.208 4.520 ( 0.164 0.072 -3.047) 3.052 4.836 ( 4.601 -0.543 3.189) 5.624 4.889 ( 1.498 -0.076 3.241) 3.572 5.023 ( 0.395 -0.195 -2.037) 2.084 5.090 ( 4.099 -0.954 -4.180) 5.931 5.409 ( 1.366 -0.698 3.653) 3.962 5.512 ( -1.885 -1.547 -0.536) 2.496 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -8.586 -2.034 3.008) 9.323 0.893 ( -5.237 1.476 1.278) 5.589 0.932 ( -4.069 -2.879 -3.042) 5.840 1.006 ( -2.511 -0.977 -1.487) 3.078 1.194 ( 0.618 -4.067 0.637) 4.163 1.220 ( -2.817 -2.919 1.598) 4.360 1.290 ( -4.974 -2.811 8.491) 10.234 1.441 ( -3.880 -1.016 0.484) 4.040 1.490 ( 0.617 0.479 -0.874) 1.172 1.502 ( 0.350 0.129 -1.048) 1.112 1.669 ( -5.998 2.924 1.061) 6.757 1.730 ( -6.889 4.867 -1.334) 8.540 1.790 ( -1.918 1.203 1.304) 2.613 1.886 ( 0.313 1.285 -2.290) 2.645 2.209 ( -14.365 0.846 1.973) 14.524 2.310 ( -17.175 -0.162 -1.088) 17.210 2.344 ( -0.889 0.015 9.029) 9.072 2.934 ( 0.564 0.565 -10.089) 10.120 3.348 ( 4.436 -0.027 3.504) 5.653 3.526 ( 0.662 -0.125 -3.232) 3.301 3.641 ( -2.895 0.549 1.297) 3.219 3.784 ( -1.178 -0.049 -1.549) 1.946 3.809 ( -1.061 0.633 -3.037) 3.279 3.858 ( 0.931 0.448 -2.639) 2.833 3.961 ( -1.717 0.131 0.380) 1.763 3.973 ( -1.787 0.037 0.504) 1.857 4.276 ( -3.629 -0.641 0.209) 3.691 4.326 ( 3.105 -0.978 -0.727) 3.335 4.497 ( 0.469 0.740 2.329) 2.488 4.526 ( 0.704 0.295 -0.951) 1.220 4.893 ( 0.395 -0.980 3.838) 3.980 4.940 ( 3.903 -0.881 4.605) 6.101 5.000 ( -3.289 -4.085 0.029) 5.245 5.183 ( 4.763 0.367 -5.339) 7.165 5.453 ( 2.913 -0.435 2.621) 3.942 5.498 ( 0.006 -1.521 1.064) 1.857 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -8.018 2.668 4.093) 9.390 0.747 ( -8.250 1.798 2.201) 8.726 0.853 ( -5.487 -0.093 -2.172) 5.902 0.974 ( -0.856 -0.672 -2.880) 3.079 1.150 ( -3.347 -1.646 5.192) 6.393 1.199 ( -7.998 -1.897 10.165) 13.073 1.224 ( -1.709 -0.688 -0.390) 1.883 1.396 ( -1.718 -2.329 1.509) 3.264 1.494 ( -0.819 0.571 -1.853) 2.105 1.510 ( -0.390 0.131 -1.137) 1.209 1.528 ( -5.109 2.434 0.252) 5.664 1.565 ( -5.655 2.789 -0.527) 6.328 1.764 ( -2.112 -0.292 0.756) 2.262 1.862 ( -7.403 -2.273 -2.440) 8.119 1.933 ( -6.367 0.512 -0.703) 6.426 1.962 ( -17.985 -0.393 -1.244) 18.032 2.362 ( 1.359 0.785 8.988) 9.124 2.944 ( 0.969 1.225 -10.425) 10.541 3.402 ( 1.132 0.064 2.330) 2.592 3.489 ( -4.820 0.170 -2.175) 5.291 3.612 ( 0.839 0.373 2.490) 2.654 3.772 ( -0.508 -0.129 -0.407) 0.663 3.800 ( 0.594 1.135 -4.317) 4.503 3.825 ( -3.891 0.527 -1.350) 4.152 3.932 ( -1.639 0.584 0.604) 1.841 3.946 ( -1.174 0.220 0.042) 1.196 4.205 ( -3.862 -1.303 1.463) 4.331 4.404 ( 2.716 -1.981 -6.348) 7.183 4.491 ( -0.952 0.353 1.237) 1.601 4.545 ( 1.910 1.154 -0.302) 2.252 4.869 ( -4.384 -5.914 5.595) 9.246 4.975 ( -1.033 -3.987 2.202) 4.671 5.023 ( 3.679 -2.117 6.674) 7.909 5.249 ( 2.275 0.112 -5.888) 6.313 5.526 ( 4.424 0.323 1.823) 4.796 5.535 ( 3.508 0.435 2.168) 4.147 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -2.605 9.089 5.672) 11.026 0.583 ( -6.568 4.358 7.549) 10.914 0.739 ( -6.053 2.342 -3.229) 7.250 0.947 ( -11.023 3.701 7.760) 13.979 0.988 ( -0.923 1.738 -2.058) 2.848 1.126 ( -0.861 -1.076 8.104) 8.221 1.156 ( -3.957 1.100 0.899) 4.204 1.398 ( 0.095 -3.238 1.448) 3.549 1.443 ( -1.964 -2.035 -0.198) 2.835 1.450 ( -3.800 -0.775 -0.942) 3.991 1.508 ( -1.803 0.207 -0.330) 1.844 1.522 ( 0.280 0.959 -0.445) 1.094 1.615 ( -9.250 -0.877 -1.192) 9.368 1.675 ( -9.086 -0.316 -2.951) 9.558 1.811 ( -0.059 -3.455 0.808) 3.549 1.945 ( 2.574 -0.919 -5.398) 6.050 2.379 ( 0.948 1.207 7.942) 8.089 2.957 ( 1.106 1.597 -11.521) 11.684 3.383 ( -4.603 0.043 -0.245) 4.609 3.401 ( -1.472 0.059 -0.112) 1.477 3.639 ( 1.611 0.367 2.393) 2.908 3.738 ( -4.211 0.173 -0.269) 4.223 3.742 ( -2.742 0.449 -0.870) 2.912 3.824 ( 2.061 0.543 -4.718) 5.177 3.889 ( -2.178 0.574 0.582) 2.326 3.915 ( -2.006 0.475 -0.972) 2.279 4.159 ( -1.732 -2.344 3.879) 4.852 4.385 ( -6.383 -2.641 1.391) 7.046 4.468 ( -0.978 -2.556 -5.110) 5.796 4.589 ( 2.699 1.287 -0.727) 3.077 4.829 ( -3.239 -8.813 8.728) 12.819 4.993 ( 0.600 -3.007 1.785) 3.548 5.098 ( 2.489 -3.738 8.685) 9.777 5.278 ( 0.940 -0.324 -4.264) 4.378 5.577 ( 2.292 2.266 1.054) 3.391 5.634 ( 5.678 1.212 0.886) 5.873 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -0.000 13.670 3.528) 14.118 0.481 ( -0.000 8.621 12.385) 15.090 0.614 ( -0.000 2.256 4.248) 4.809 0.799 ( -0.000 3.577 8.937) 9.626 0.984 ( -0.000 3.032 -7.617) 8.198 1.113 ( -0.000 0.498 7.964) 7.980 1.134 ( 0.000 -2.149 -1.398) 2.563 1.401 ( 0.000 -0.916 0.323) 0.972 1.407 ( 0.000 -2.362 -0.017) 2.362 1.444 ( 0.000 -2.241 1.987) 2.995 1.469 ( 0.000 -1.029 1.234) 1.607 1.527 ( 0.000 -0.794 -0.796) 1.124 1.528 ( 0.000 -0.076 -1.287) 1.289 1.615 ( -0.000 0.486 -3.467) 3.501 1.837 ( 0.000 -3.966 0.665) 4.021 1.985 ( -0.000 0.206 -8.522) 8.524 2.382 ( -0.000 1.388 6.918) 7.056 2.961 ( -0.000 1.593 -12.627) 12.727 3.331 ( 0.000 -0.128 0.712) 0.723 3.381 ( -0.000 0.097 -1.038) 1.042 3.658 ( -0.000 0.359 2.592) 2.617 3.691 ( -0.000 0.155 -0.024) 0.157 3.693 ( -0.000 0.144 -0.113) 0.183 3.860 ( -0.000 0.600 -5.768) 5.799 3.862 ( -0.000 0.318 0.233) 0.394 3.873 ( -0.000 0.317 -0.173) 0.361 4.158 ( 0.000 -2.077 4.306) 4.781 4.311 ( 0.000 -4.900 11.872) 12.844 4.472 ( 0.000 -1.753 -7.395) 7.600 4.612 ( -0.000 0.415 -1.436) 1.494 4.847 ( 0.000 -9.800 9.510) 13.655 5.015 ( 0.000 -1.982 1.229) 2.332 5.151 ( 0.000 -6.457 9.948) 11.860 5.289 ( 0.000 -0.375 -3.686) 3.705 5.586 ( -0.000 2.721 1.359) 3.042 5.694 ( -0.000 1.102 -1.591) 1.935 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( 0.423 0.000 -0.717) 0.833 0.983 ( -1.112 -0.000 -0.572) 1.250 1.071 ( -2.124 -0.000 2.461) 3.251 1.114 ( -3.988 -0.000 0.456) 4.014 1.172 ( -4.695 -0.000 3.853) 6.073 1.390 ( -4.172 -0.000 -3.467) 5.425 1.461 ( 0.464 0.000 2.148) 2.197 1.495 ( -0.184 -0.000 4.529) 4.533 1.587 ( 0.499 0.000 -0.204) 0.539 1.615 ( -0.648 -0.000 -3.547) 3.606 1.734 ( 3.171 0.000 -0.239) 3.180 1.753 ( 3.548 0.000 -0.717) 3.620 1.874 ( 2.929 0.000 -0.869) 3.055 1.899 ( 2.254 0.000 -0.759) 2.378 2.206 ( -0.311 -0.000 15.072) 15.076 2.717 ( 0.425 0.000 1.286) 1.354 2.770 ( 0.170 0.000 -0.912) 0.928 2.930 ( -0.612 -0.000 -11.199) 11.215 3.139 ( -0.253 -0.000 2.660) 2.672 3.368 ( 0.070 0.000 -6.527) 6.527 3.818 ( -0.042 -0.000 0.676) 0.677 3.868 ( -0.637 -0.000 0.632) 0.897 3.913 ( -0.247 -0.000 -2.425) 2.437 3.962 ( -0.168 -0.000 -4.185) 4.189 3.999 ( 0.566 0.000 4.852) 4.885 4.122 ( -0.059 -0.000 -1.425) 1.426 4.220 ( 0.038 0.000 7.413) 7.413 4.395 ( 0.260 0.000 0.196) 0.326 4.513 ( 0.025 0.000 -6.371) 6.371 4.604 ( 1.541 0.000 10.821) 10.930 4.623 ( -1.960 -0.000 -4.825) 5.208 4.871 ( -0.159 -0.000 2.225) 2.231 4.923 ( 0.521 0.000 0.104) 0.532 5.043 ( -0.525 -0.000 -6.913) 6.933 5.397 ( -0.912 -0.000 5.904) 5.974 5.561 ( -0.987 -0.000 -1.679) 1.948 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( -2.363 0.351 0.332) 2.412 0.964 ( -1.305 -0.746 -0.257) 1.525 1.016 ( -4.461 -0.467 3.369) 5.610 1.051 ( -0.477 -0.255 1.034) 1.167 1.113 ( -1.775 -0.908 1.227) 2.341 1.308 ( -4.550 -1.015 -4.143) 6.237 1.473 ( 0.584 0.155 1.392) 1.518 1.476 ( -2.116 -0.023 4.903) 5.340 1.562 ( -3.986 -0.088 -1.732) 4.347 1.573 ( -2.100 -0.274 -0.249) 2.132 1.774 ( 1.294 1.340 0.183) 1.871 1.812 ( 2.343 0.068 -1.037) 2.563 1.915 ( 1.029 1.338 -0.396) 1.734 1.929 ( 0.693 -0.255 -0.622) 0.966 2.226 ( 2.310 -0.119 13.141) 13.343 2.676 ( -4.904 0.170 1.373) 5.096 2.737 ( -4.050 0.025 -1.130) 4.205 2.922 ( -0.134 -0.133 -10.993) 10.994 3.166 ( 3.028 -0.050 2.409) 3.870 3.406 ( 3.645 -0.020 -7.694) 8.513 3.786 ( -6.050 -0.057 2.819) 6.674 3.815 ( -0.292 -0.025 0.425) 0.516 3.886 ( -2.229 -0.008 -1.892) 2.923 3.931 ( -3.079 -0.042 -4.701) 5.620 4.017 ( 0.378 0.065 2.189) 2.223 4.076 ( -3.844 -0.009 -0.987) 3.969 4.237 ( 1.464 -0.012 5.689) 5.875 4.397 ( -0.887 0.002 -0.445) 0.992 4.508 ( -3.568 -0.002 4.283) 5.574 4.517 ( 0.275 0.014 -4.920) 4.928 4.732 ( 5.896 -0.079 2.390) 6.362 4.869 ( 0.439 -0.011 2.448) 2.487 4.974 ( 4.284 0.228 -0.806) 4.365 5.042 ( 0.089 -0.293 -5.554) 5.562 5.389 ( 0.042 -0.162 4.868) 4.871 5.535 ( -1.797 -0.252 -1.550) 2.387 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( -6.475 -1.949 2.102) 7.081 0.937 ( -1.481 -0.451 -0.340) 1.585 0.979 ( -1.714 -1.368 2.165) 3.082 1.028 ( -2.542 -0.533 -0.310) 2.615 1.115 ( 1.119 -1.781 0.309) 2.126 1.236 ( -3.726 -1.851 -3.035) 5.149 1.391 ( -6.439 -0.251 6.555) 9.192 1.485 ( 0.644 0.330 0.077) 0.728 1.508 ( -1.476 -0.080 -0.159) 1.486 1.514 ( -3.935 -0.349 -0.170) 3.954 1.770 ( -1.184 1.399 1.285) 2.238 1.826 ( -0.797 0.882 -0.855) 1.464 1.902 ( -2.434 1.528 -0.307) 2.890 1.912 ( -1.137 1.549 -1.667) 2.544 2.278 ( 2.629 0.242 10.954) 11.268 2.519 ( -11.487 0.262 1.753) 11.623 2.594 ( -11.448 0.028 -1.366) 11.529 2.927 ( 0.514 -0.053 -10.432) 10.445 3.249 ( 5.304 -0.088 2.872) 6.032 3.485 ( 3.616 -0.077 -7.021) 7.898 3.694 ( -2.970 0.072 2.466) 3.860 3.806 ( -0.777 0.023 -0.024) 0.778 3.848 ( -1.080 -0.012 -1.152) 1.579 3.860 ( -3.658 -0.000 -4.897) 6.113 4.004 ( -1.938 0.214 0.317) 1.975 4.009 ( -2.478 -0.126 -0.043) 2.482 4.267 ( 1.745 -0.088 2.940) 3.420 4.347 ( -3.772 -0.356 -0.504) 3.822 4.490 ( 0.683 0.176 4.316) 4.374 4.521 ( 0.190 0.048 -2.917) 2.924 4.831 ( 4.470 -0.314 3.149) 5.477 4.888 ( 1.352 -0.071 3.151) 3.429 5.023 ( -1.509 0.057 -2.305) 2.755 5.080 ( 5.288 -0.751 -3.032) 6.141 5.404 ( 1.614 -0.227 2.910) 3.335 5.498 ( -2.206 -0.985 -0.571) 2.482 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -6.045 -0.279 2.512) 6.552 0.902 ( -5.868 -1.610 -2.985) 6.778 0.912 ( -2.585 1.227 1.243) 3.120 0.990 ( -1.923 -2.041 -0.145) 2.808 1.155 ( 0.437 -2.774 0.283) 2.822 1.186 ( -2.139 -3.228 0.025) 3.872 1.268 ( -6.275 -1.453 10.630) 12.429 1.434 ( -4.026 -0.337 0.480) 4.068 1.495 ( 0.706 0.436 -1.144) 1.413 1.503 ( 0.420 0.048 -1.581) 1.636 1.698 ( -5.419 2.403 1.684) 6.162 1.779 ( -5.887 4.122 -1.505) 7.343 1.799 ( -3.390 0.444 0.928) 3.543 1.892 ( -1.163 -0.053 -2.792) 3.025 2.217 ( -15.259 0.649 1.857) 15.385 2.309 ( -17.551 -0.090 -1.167) 17.590 2.345 ( 0.092 0.049 9.578) 9.579 2.939 ( 0.886 0.405 -9.968) 10.015 3.348 ( 4.494 -0.033 3.325) 5.590 3.525 ( 0.710 -0.083 -3.435) 3.509 3.646 ( -2.838 0.403 1.187) 3.102 3.784 ( -1.321 -0.049 -1.764) 2.205 3.816 ( -0.630 0.576 -2.776) 2.904 3.862 ( 1.292 0.322 -2.693) 3.004 3.963 ( -1.593 0.243 0.269) 1.634 3.972 ( -1.726 -0.046 0.472) 1.791 4.270 ( -4.104 -0.537 0.071) 4.140 4.316 ( 2.877 -0.871 -0.754) 3.099 4.505 ( 0.739 0.684 2.763) 2.941 4.528 ( 0.826 0.095 -0.918) 1.238 4.883 ( -1.046 -0.950 4.160) 4.394 4.926 ( 2.034 -1.777 4.472) 5.224 4.969 ( -2.654 -1.657 1.203) 3.352 5.186 ( 4.990 0.216 -5.191) 7.204 5.452 ( 3.044 0.188 1.840) 3.562 5.482 ( 0.715 -1.458 1.033) 1.925 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -3.934 5.042 2.799) 6.981 0.760 ( -7.866 0.628 0.046) 7.891 0.855 ( -3.947 0.524 0.713) 4.045 0.970 ( -0.531 -0.149 -1.237) 1.355 1.126 ( -2.769 -2.854 2.973) 4.965 1.170 ( -6.052 -2.940 12.578) 14.264 1.206 ( -0.228 -2.631 -1.260) 2.927 1.379 ( -1.924 -0.811 1.930) 2.843 1.502 ( -0.462 0.771 -2.091) 2.276 1.511 ( -0.298 0.184 -1.583) 1.621 1.558 ( -6.390 3.178 0.816) 7.183 1.600 ( -7.771 3.538 -0.338) 8.546 1.760 ( -2.426 -0.444 0.185) 2.473 1.838 ( -9.048 -2.177 -2.295) 9.585 1.934 ( -7.339 -0.322 -1.109) 7.429 1.958 ( -18.109 -0.395 -1.143) 18.150 2.370 ( 1.585 0.682 9.683) 9.835 2.956 ( 1.219 0.990 -9.998) 10.120 3.403 ( 1.144 0.034 2.190) 2.471 3.490 ( -4.735 0.095 -2.415) 5.316 3.616 ( 0.743 0.357 2.509) 2.641 3.769 ( -0.437 -0.300 -1.054) 1.179 3.814 ( 0.690 1.304 -3.228) 3.549 3.830 ( -4.072 0.482 -1.017) 4.224 3.940 ( -1.262 0.805 0.233) 1.515 3.948 ( -1.103 0.175 0.124) 1.124 4.190 ( -4.495 -1.421 1.294) 4.889 4.384 ( 2.474 -1.720 -6.064) 6.771 4.494 ( -2.462 0.183 1.618) 2.952 4.555 ( 2.473 0.771 -0.238) 2.602 4.802 ( -6.877 -6.158 8.203) 12.349 4.938 ( -0.222 -2.651 3.603) 4.479 5.012 ( 3.523 -0.615 5.205) 6.315 5.250 ( 1.914 0.026 -5.562) 5.882 5.528 ( 5.529 0.073 2.604) 6.112 5.540 ( 4.079 0.584 0.676) 4.175 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.747 10.485 4.001) 11.248 0.621 ( -5.374 2.584 5.091) 7.841 0.765 ( -4.714 2.530 0.901) 5.425 0.969 ( -3.483 0.744 1.520) 3.872 1.015 ( -4.901 2.608 5.744) 7.988 1.114 ( -0.801 -0.881 6.778) 6.882 1.172 ( -3.482 1.422 0.693) 3.824 1.365 ( -0.513 -2.653 2.220) 3.497 1.421 ( -3.296 -1.748 -0.600) 3.779 1.443 ( -4.783 -0.564 -0.568) 4.849 1.510 ( -2.586 0.255 0.064) 2.600 1.532 ( -0.279 0.928 -1.186) 1.531 1.607 ( -8.942 -0.613 -0.737) 8.993 1.671 ( -8.486 -0.488 -3.207) 9.085 1.775 ( -0.944 -3.265 0.590) 3.449 1.927 ( 1.907 -2.316 -6.451) 7.115 2.391 ( 1.119 1.076 9.042) 9.175 2.974 ( 1.216 1.449 -10.802) 10.966 3.384 ( -4.742 0.062 -0.356) 4.756 3.401 ( -1.501 -0.020 -0.174) 1.511 3.643 ( 1.697 0.437 2.613) 3.146 3.740 ( -4.261 0.196 -0.184) 4.269 3.745 ( -2.860 0.082 -0.446) 2.895 3.832 ( 1.988 0.991 -4.716) 5.213 3.896 ( -2.342 0.725 0.587) 2.521 3.921 ( -1.858 0.599 -1.026) 2.205 4.129 ( -2.879 -3.251 5.136) 6.726 4.359 ( -7.872 -2.132 4.320) 9.229 4.437 ( -1.007 -3.115 -4.907) 5.898 4.604 ( 2.553 1.436 -0.209) 2.937 4.750 ( -1.976 -5.784 9.406) 11.217 4.958 ( 0.492 -3.447 2.336) 4.193 5.073 ( 2.242 -1.380 7.005) 7.483 5.275 ( 0.923 -0.234 -3.295) 3.430 5.600 ( 2.753 1.968 0.625) 3.442 5.644 ( 5.783 0.812 0.754) 5.888 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.527 ( -0.000 9.605 5.216) 10.930 0.578 ( -0.000 9.300 10.127) 13.750 0.643 ( -0.000 3.724 -1.315) 3.950 0.845 ( -0.000 4.855 13.028) 13.903 1.022 ( -0.000 3.956 -6.898) 7.952 1.103 ( 0.000 -2.721 -0.569) 2.779 1.126 ( -0.000 1.387 8.588) 8.700 1.377 ( 0.000 -3.178 0.063) 3.179 1.387 ( 0.000 -1.951 -0.333) 1.980 1.420 ( 0.000 -2.385 2.033) 3.133 1.455 ( 0.000 -1.371 1.794) 2.258 1.521 ( 0.000 -0.371 -0.807) 0.888 1.531 ( -0.000 0.631 -1.895) 1.997 1.617 ( 0.000 -0.024 -3.323) 3.323 1.792 ( 0.000 -4.303 0.278) 4.312 1.974 ( 0.000 -2.381 -10.300) 10.571 2.397 ( -0.000 1.335 8.112) 8.221 2.979 ( -0.000 1.666 -11.813) 11.930 3.329 ( 0.000 -0.145 0.766) 0.780 3.382 ( -0.000 0.112 -1.077) 1.083 3.662 ( -0.000 0.460 2.903) 2.939 3.693 ( -0.000 0.181 -0.019) 0.182 3.695 ( -0.000 0.167 -0.101) 0.195 3.865 ( -0.000 0.368 0.241) 0.440 3.869 ( -0.000 1.110 -5.939) 6.042 3.877 ( -0.000 0.359 -0.165) 0.395 4.122 ( 0.000 -4.552 8.596) 9.727 4.269 ( 0.000 -2.549 13.317) 13.558 4.446 ( 0.000 -2.825 -7.305) 7.832 4.622 ( -0.000 1.291 -0.046) 1.292 4.764 ( 0.000 -5.764 8.675) 10.415 4.984 ( 0.000 -3.631 1.367) 3.880 5.106 ( 0.000 -2.526 8.125) 8.509 5.286 ( 0.000 -0.248 -2.448) 2.460 5.614 ( -0.000 2.568 0.920) 2.728 5.703 ( -0.000 0.767 -1.099) 1.340 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -6.289 -0.000 2.199) 6.662 0.934 ( -1.774 -0.000 -0.768) 1.933 0.972 ( -1.238 -0.000 2.893) 3.147 1.025 ( -2.994 -0.000 -0.383) 3.019 1.105 ( 1.157 0.000 0.195) 1.174 1.226 ( -3.781 -0.000 -3.002) 4.828 1.389 ( -6.555 -0.000 6.525) 9.249 1.487 ( 0.681 0.000 -0.055) 0.683 1.508 ( -1.312 -0.000 -0.197) 1.327 1.512 ( -4.035 -0.000 -0.136) 4.037 1.777 ( -1.423 -0.000 1.290) 1.921 1.831 ( -0.322 -0.000 -0.848) 0.907 1.910 ( -2.790 -0.000 -0.259) 2.802 1.920 ( -1.068 -0.000 -1.731) 2.034 2.279 ( 2.779 0.000 10.907) 11.256 2.521 ( -11.545 -0.000 1.694) 11.669 2.594 ( -11.478 -0.000 -1.352) 11.557 2.927 ( 0.606 0.000 -10.447) 10.465 3.248 ( 5.319 0.000 2.802) 6.011 3.484 ( 3.618 0.000 -7.107) 7.975 3.694 ( -2.878 -0.000 2.421) 3.761 3.806 ( -0.756 -0.000 -0.041) 0.757 3.848 ( -1.052 -0.000 -1.205) 1.600 3.860 ( -3.621 -0.000 -4.914) 6.104 4.006 ( -1.448 -0.000 0.546) 1.547 4.008 ( -2.972 -0.000 -0.290) 2.986 4.267 ( 1.725 0.000 2.902) 3.376 4.345 ( -3.890 -0.000 -0.528) 3.926 4.491 ( 0.750 0.000 4.380) 4.444 4.521 ( 0.196 0.000 -2.881) 2.888 4.829 ( 4.418 0.000 3.137) 5.418 4.888 ( 1.286 0.000 3.109) 3.365 5.023 ( -2.496 -0.000 -2.454) 3.500 5.076 ( 6.021 0.000 -2.541) 6.535 5.403 ( 1.755 0.000 2.606) 3.142 5.493 ( -2.361 -0.000 -0.569) 2.429 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -4.124 0.254 1.840) 4.523 0.886 ( -4.365 -0.886 -2.803) 5.263 0.933 ( -3.680 2.226 1.056) 4.429 0.964 ( -1.512 -2.609 1.207) 3.248 1.139 ( 1.041 -0.353 -0.273) 1.133 1.158 ( -3.207 -1.812 -0.175) 3.687 1.258 ( -6.839 -0.449 11.269) 13.190 1.432 ( -3.984 -0.071 0.438) 4.009 1.498 ( 0.679 0.227 -1.244) 1.435 1.503 ( 0.519 -0.053 -1.915) 1.985 1.717 ( -4.829 0.976 2.225) 5.406 1.801 ( -3.357 0.052 0.330) 3.373 1.813 ( -6.124 1.867 -1.143) 6.504 1.888 ( -2.137 -0.471 -3.273) 3.937 2.222 ( -15.825 0.236 1.747) 15.923 2.308 ( -17.848 -0.029 -1.255) 17.892 2.345 ( 0.752 0.031 9.948) 9.976 2.942 ( 1.063 0.146 -9.895) 9.953 3.347 ( 4.524 -0.014 3.217) 5.551 3.524 ( 0.731 -0.028 -3.558) 3.632 3.649 ( -2.813 0.147 1.123) 3.032 3.783 ( -1.404 -0.020 -1.861) 2.331 3.821 ( -0.383 0.238 -2.668) 2.705 3.864 ( 1.547 0.116 -2.748) 3.156 3.966 ( -1.486 0.158 0.102) 1.498 3.972 ( -1.675 -0.063 0.510) 1.752 4.265 ( -4.511 -0.239 0.016) 4.518 4.309 ( 2.821 -0.334 -0.656) 2.915 4.511 ( 0.994 0.305 3.386) 3.542 4.528 ( 0.790 -0.015 -1.337) 1.553 4.874 ( -2.875 -0.512 4.761) 5.585 4.911 ( 0.746 -0.768 3.817) 3.964 4.960 ( -1.031 -0.331 2.017) 2.289 5.188 ( 5.126 0.073 -5.104) 7.234 5.457 ( 3.143 0.685 1.099) 3.399 5.468 ( 1.076 -1.121 1.333) 2.048 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -0.595 4.585 0.596) 4.662 0.762 ( -7.706 -0.198 -0.869) 7.757 0.864 ( -3.179 1.112 2.609) 4.260 0.967 ( 0.573 -0.544 0.521) 0.946 1.093 ( -3.401 -2.932 1.655) 4.785 1.147 ( -5.016 -1.270 14.291) 15.198 1.175 ( 0.233 -2.648 -1.654) 3.131 1.376 ( -1.887 -0.048 1.855) 2.647 1.509 ( 0.083 0.436 -1.986) 2.035 1.513 ( -0.172 0.133 -2.221) 2.232 1.590 ( -6.809 2.496 1.457) 7.397 1.632 ( -9.357 2.229 0.023) 9.619 1.757 ( -2.596 -0.135 -0.452) 2.639 1.818 ( -9.426 -1.504 -2.399) 9.842 1.928 ( -8.783 -0.610 -1.269) 8.895 1.954 ( -18.230 -0.248 -1.110) 18.265 2.376 ( 1.708 0.393 10.175) 10.325 2.964 ( 1.378 0.543 -9.694) 9.807 3.403 ( 1.165 0.013 2.078) 2.382 3.491 ( -4.689 0.035 -2.596) 5.359 3.619 ( 0.682 0.218 2.523) 2.622 3.766 ( -0.497 -0.199 -1.315) 1.420 3.826 ( 0.863 0.834 -2.619) 2.881 3.835 ( -4.198 0.286 -0.764) 4.277 3.946 ( -0.714 0.292 0.063) 0.774 3.951 ( -1.263 0.497 -0.180) 1.369 4.176 ( -5.110 -1.080 1.338) 5.391 4.369 ( 2.355 -1.009 -5.641) 6.195 4.495 ( -3.997 0.016 1.905) 4.428 4.561 ( 2.932 0.360 -0.478) 2.993 4.749 ( -7.111 -3.486 10.298) 12.991 4.918 ( -0.225 -1.242 3.529) 3.748 5.007 ( 3.346 -0.293 4.783) 5.845 5.250 ( 1.697 0.003 -5.309) 5.573 5.528 ( 6.040 0.023 2.840) 6.675 5.546 ( 4.650 0.365 0.090) 4.665 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -4.495 0.731 3.995) 6.058 0.677 ( 1.819 9.445 0.883) 9.660 0.793 ( -3.352 2.581 4.707) 6.329 0.970 ( -3.183 -0.610 5.442) 6.334 1.029 ( -1.405 -0.019 4.893) 5.091 1.111 ( 0.071 0.426 5.237) 5.254 1.177 ( -1.453 -0.781 -0.653) 1.775 1.348 ( -1.635 -0.375 3.031) 3.465 1.409 ( -5.859 -0.554 -0.326) 5.894 1.438 ( -6.750 -0.420 -0.343) 6.771 1.512 ( -3.513 0.076 0.613) 3.566 1.541 ( -0.449 0.765 -1.879) 2.077 1.602 ( -8.328 -0.236 -0.394) 8.341 1.666 ( -8.000 -0.494 -3.408) 8.710 1.746 ( -1.625 -2.105 0.219) 2.669 1.899 ( 0.885 -2.771 -6.764) 7.363 2.401 ( 1.199 0.708 9.960) 10.057 2.987 ( 1.298 0.977 -10.227) 10.355 3.384 ( -5.034 0.060 -0.475) 5.057 3.400 ( -1.327 -0.065 -0.189) 1.342 3.647 ( 1.795 0.362 2.818) 3.361 3.742 ( -4.062 0.150 -0.174) 4.068 3.745 ( -3.059 -0.095 -0.194) 3.067 3.843 ( 1.719 0.939 -4.503) 4.911 3.903 ( -2.655 0.699 0.426) 2.778 3.927 ( -1.567 0.554 -1.051) 1.966 4.094 ( -4.123 -2.979 6.754) 8.456 4.342 ( -8.383 -1.127 6.873) 10.898 4.407 ( -0.426 -2.388 -5.992) 6.465 4.618 ( 2.667 1.132 -0.333) 2.916 4.705 ( -0.550 -3.010 9.518) 9.998 4.925 ( 0.097 -2.495 2.273) 3.377 5.064 ( 2.148 -0.601 6.214) 6.603 5.273 ( 0.932 -0.137 -2.627) 2.791 5.617 ( 3.101 1.355 0.443) 3.413 5.651 ( 5.851 0.483 0.834) 5.930 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.000 2.057 6.465) 6.785 0.672 ( -0.000 8.062 8.573) 11.769 0.704 ( -0.000 7.321 -2.256) 7.661 0.891 ( -0.000 3.220 14.200) 14.561 1.066 ( -0.000 4.177 -6.196) 7.472 1.080 ( 0.000 -1.107 1.724) 2.049 1.146 ( -0.000 2.302 6.455) 6.853 1.340 ( 0.000 -3.559 0.126) 3.561 1.360 ( 0.000 -2.893 -0.907) 3.032 1.393 ( 0.000 -2.706 2.720) 3.836 1.443 ( 0.000 -0.821 2.345) 2.485 1.518 ( 0.000 -0.108 -0.880) 0.887 1.540 ( -0.000 1.046 -2.272) 2.501 1.616 ( 0.000 -0.266 -3.449) 3.460 1.750 ( 0.000 -3.254 -0.247) 3.264 1.938 ( 0.000 -4.005 -10.124) 10.887 2.409 ( -0.000 0.954 9.347) 9.395 2.995 ( -0.000 1.316 -11.096) 11.173 3.328 ( 0.000 -0.124 0.819) 0.828 3.383 ( -0.000 0.097 -1.116) 1.120 3.667 ( -0.000 0.442 3.282) 3.312 3.694 ( -0.000 0.158 -0.013) 0.159 3.696 ( -0.000 0.144 -0.089) 0.170 3.869 ( -0.000 0.319 0.247) 0.404 3.881 ( -0.000 0.304 -0.156) 0.342 3.883 ( -0.000 1.330 -6.195) 6.336 4.071 ( 0.000 -4.452 13.003) 13.744 4.254 ( 0.000 -0.628 11.530) 11.547 4.417 ( 0.000 -2.474 -7.596) 7.989 4.637 ( -0.000 1.406 0.443) 1.475 4.719 ( 0.000 -3.060 7.574) 8.169 4.944 ( 0.000 -3.514 1.385) 3.777 5.089 ( 0.000 -0.975 6.952) 7.020 5.284 ( 0.000 -0.154 -1.575) 1.583 5.639 ( -0.000 2.010 0.743) 2.143 5.710 ( -0.000 0.551 -0.605) 0.818 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 0.859 0.000 -0.903) 1.246 0.760 ( -7.659 -0.000 -0.889) 7.710 0.872 ( -3.190 -0.000 3.393) 4.657 0.961 ( 1.517 0.000 1.486) 2.124 1.076 ( -4.367 -0.000 2.115) 4.852 1.141 ( -4.386 -0.000 14.415) 15.068 1.159 ( 0.131 0.000 -2.227) 2.231 1.376 ( -1.825 -0.000 1.775) 2.546 1.511 ( 0.341 0.000 -1.663) 1.698 1.514 ( -0.189 -0.000 -2.742) 2.748 1.605 ( -6.757 -0.000 1.836) 7.003 1.644 ( -9.906 -0.000 0.194) 9.908 1.757 ( -2.790 -0.000 -0.750) 2.889 1.809 ( -9.285 -0.000 -2.584) 9.637 1.925 ( -9.509 -0.000 -1.285) 9.596 1.953 ( -18.279 -0.000 -1.105) 18.312 2.378 ( 1.744 0.000 10.351) 10.497 2.967 ( 1.431 0.000 -9.585) 9.691 3.403 ( 1.174 0.000 2.035) 2.350 3.491 ( -4.676 -0.000 -2.663) 5.381 3.620 ( 0.662 0.000 2.528) 2.613 3.765 ( -0.530 -0.000 -1.380) 1.478 3.830 ( 0.934 0.000 -2.409) 2.584 3.836 ( -4.243 -0.000 -0.671) 4.296 3.947 ( -0.661 -0.000 0.198) 0.690 3.954 ( -1.145 -0.000 -0.596) 1.291 4.170 ( -5.384 -0.000 1.433) 5.571 4.364 ( 2.318 0.000 -5.434) 5.908 4.495 ( -4.689 -0.000 2.018) 5.105 4.563 ( 3.123 0.000 -0.650) 3.190 4.730 ( -6.914 -0.000 11.042) 13.028 4.911 ( -0.314 -0.000 3.438) 3.453 5.005 ( 3.298 0.000 4.691) 5.734 5.250 ( 1.624 0.000 -5.217) 5.464 5.528 ( 6.211 0.000 2.891) 6.851 5.548 ( 4.854 0.000 -0.061) 4.854 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( -4.846 -0.115 3.722) 6.111 0.760 ( 3.303 5.213 -2.987) 6.856 0.812 ( -2.751 0.674 6.441) 7.036 0.959 ( -6.275 -0.919 13.038) 14.499 1.021 ( 3.534 -0.929 2.068) 4.199 1.124 ( 1.572 1.823 4.389) 5.006 1.158 ( -0.331 -2.271 -2.000) 3.044 1.352 ( -1.210 0.512 2.843) 3.132 1.407 ( -8.692 0.019 0.454) 8.704 1.434 ( -8.640 -0.190 -0.236) 8.645 1.512 ( -4.131 -0.045 1.010) 4.253 1.547 ( -0.375 0.300 -2.309) 2.359 1.601 ( -7.746 0.008 -0.180) 7.748 1.662 ( -7.799 -0.212 -3.511) 8.555 1.731 ( -1.953 -0.631 -0.162) 2.059 1.875 ( 0.113 -1.346 -6.754) 6.887 2.406 ( 1.222 0.243 10.479) 10.553 2.994 ( 1.341 0.341 -9.911) 10.007 3.385 ( -5.314 0.027 -0.559) 5.343 3.400 ( -1.106 -0.036 -0.177) 1.120 3.650 ( 1.863 0.142 2.943) 3.486 3.743 ( -2.837 0.002 -0.354) 2.859 3.744 ( -4.260 -0.002 0.100) 4.261 3.850 ( 1.503 0.375 -4.311) 4.581 3.909 ( -2.976 0.323 0.130) 2.996 3.932 ( -1.297 0.235 -1.026) 1.671 4.071 ( -4.696 -1.226 7.835) 9.217 4.335 ( -8.545 -0.269 8.542) 12.085 4.388 ( 0.201 -0.942 -7.305) 7.368 4.627 ( 2.884 0.485 -1.069) 3.114 4.684 ( -0.014 -0.989 10.261) 10.309 4.907 ( -0.193 -0.894 2.123) 2.312 5.060 ( 2.135 -0.184 5.955) 6.329 5.272 ( 0.939 -0.046 -2.301) 2.486 5.627 ( 3.274 0.487 0.385) 3.333 5.655 ( 5.903 0.160 0.921) 5.977 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( 0.000 -0.238 6.119) 6.124 0.742 ( -0.000 4.895 7.703) 9.127 0.781 ( -0.000 6.562 -1.043) 6.645 0.901 ( 0.000 -1.399 14.987) 15.052 1.083 ( -0.000 1.214 2.710) 2.969 1.106 ( -0.000 3.158 -5.764) 6.573 1.171 ( -0.000 2.173 4.582) 5.071 1.305 ( 0.000 -2.834 0.253) 2.846 1.331 ( 0.000 -2.285 -1.124) 2.546 1.365 ( 0.000 -2.293 3.843) 4.475 1.438 ( 0.000 -0.319 2.530) 2.550 1.518 ( 0.000 -0.021 -0.944) 0.945 1.552 ( -0.000 1.030 -2.219) 2.447 1.612 ( 0.000 -0.390 -3.734) 3.754 1.725 ( 0.000 -1.450 -0.867) 1.690 1.897 ( 0.000 -3.333 -9.265) 9.846 2.417 ( -0.000 0.480 10.257) 10.268 3.006 ( -0.000 0.713 -10.618) 10.642 3.327 ( 0.000 -0.071 0.857) 0.860 3.384 ( -0.000 0.056 -1.145) 1.146 3.671 ( -0.000 0.277 3.596) 3.607 3.696 ( -0.000 0.092 -0.007) 0.093 3.698 ( -0.000 0.083 -0.081) 0.116 3.872 ( -0.000 0.184 0.251) 0.311 3.883 ( -0.000 0.173 -0.148) 0.228 3.895 ( -0.000 0.925 -6.485) 6.551 4.034 ( 0.000 -2.447 14.716) 14.918 4.251 ( 0.000 -0.045 10.467) 10.467 4.396 ( 0.000 -1.483 -7.862) 8.001 4.650 ( -0.000 1.096 -0.051) 1.098 4.695 ( 0.000 -1.620 8.095) 8.256 4.914 ( 0.000 -2.040 1.259) 2.397 5.082 ( 0.000 -0.377 6.502) 6.513 5.283 ( 0.000 -0.077 -1.087) 1.089 5.656 ( -0.000 1.106 0.693) 1.305 5.715 ( -0.000 0.301 -0.254) 0.394 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( -0.000 0.000 6.342) 6.342 0.769 ( -0.000 0.000 7.431) 7.431 0.826 ( 0.000 -0.000 -6.662) 6.662 0.881 ( -0.000 0.000 21.246) 21.246 1.092 ( -0.000 0.000 2.781) 2.781 1.125 ( -0.000 0.000 -5.700) 5.700 1.184 ( 0.000 -0.000 3.658) 3.658 1.288 ( -0.000 0.000 0.395) 0.395 1.318 ( -0.000 0.000 -1.182) 1.182 1.352 ( -0.000 0.000 4.561) 4.561 1.436 ( -0.000 0.000 2.563) 2.563 1.518 ( -0.000 0.000 -0.968) 0.968 1.558 ( -0.000 0.000 -2.000) 2.000 1.610 ( 0.000 -0.000 -3.992) 3.992 1.718 ( -0.000 0.000 -1.206) 1.206 1.877 ( -0.000 0.000 -8.786) 8.786 2.419 ( 0.000 -0.000 10.588) 10.588 3.010 ( -0.000 0.000 -10.451) 10.451 3.327 ( -0.000 0.000 0.871) 0.871 3.384 ( -0.000 0.000 -1.155) 1.155 3.673 ( -0.000 0.000 3.718) 3.718 3.696 ( -0.000 0.000 -0.005) 0.005 3.698 ( -0.000 0.000 -0.078) 0.078 3.873 ( -0.000 0.000 0.252) 0.252 3.884 ( -0.000 0.000 -0.145) 0.145 3.900 ( 0.000 -0.000 -6.626) 6.626 4.021 ( -0.000 0.000 15.091) 15.091 4.251 ( -0.000 0.000 10.196) 10.196 4.388 ( -0.000 0.000 -7.961) 7.961 4.657 ( -0.000 0.000 -1.405) 1.405 4.685 ( 0.000 -0.000 9.559) 9.559 4.903 ( -0.000 0.000 1.192) 1.192 5.080 ( -0.000 0.000 6.391) 6.391 5.282 ( 0.000 -0.000 -0.933) 0.933 5.662 ( -0.000 0.000 0.688) 0.688 5.716 ( -0.000 0.000 -0.127) 0.127 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 0.000 0.000 -11.946) 11.946 0.413 ( 0.000 0.000 11.946) 11.946 0.705 ( 0.000 0.000 -13.431) 13.431 0.705 ( 0.000 0.000 13.431) 13.431 0.995 ( 0.000 0.000 -8.289) 8.289 0.995 ( 0.000 0.000 8.289) 8.289 1.405 ( 0.000 0.000 -12.214) 12.214 1.405 ( 0.000 0.000 12.214) 12.214 1.423 ( 0.000 0.000 -0.574) 0.574 1.423 ( 0.000 0.000 0.574) 0.574 1.512 ( 0.000 0.000 -1.585) 1.585 1.512 ( 0.000 0.000 1.585) 1.585 1.523 ( 0.000 0.000 -0.874) 0.874 1.523 ( 0.000 0.000 0.874) 0.874 1.920 ( 0.000 0.000 -2.077) 2.077 1.920 ( 0.000 0.000 2.077) 2.077 2.594 ( 0.000 0.000 -14.967) 14.967 2.594 ( 0.000 0.000 14.967) 14.967 3.354 ( 0.000 0.000 -1.190) 1.190 3.354 ( 0.000 0.000 1.190) 1.190 3.689 ( 0.000 0.000 -0.052) 0.052 3.689 ( 0.000 0.000 0.052) 0.052 3.734 ( 0.000 0.000 -4.797) 4.797 3.734 ( 0.000 0.000 4.797) 4.797 3.864 ( 0.000 0.000 -0.293) 0.293 3.864 ( 0.000 0.000 0.293) 0.293 4.290 ( 0.000 0.000 -7.152) 7.152 4.290 ( 0.000 0.000 7.152) 7.152 4.517 ( 0.000 0.000 -5.275) 5.275 4.517 ( 0.000 0.000 5.275) 5.275 5.034 ( 0.000 0.000 -0.699) 0.699 5.034 ( 0.000 0.000 0.699) 0.699 5.281 ( 0.000 0.000 -2.238) 2.238 5.281 ( 0.000 0.000 2.238) 2.238 5.625 ( 0.000 0.000 -2.869) 2.869 5.625 ( 0.000 0.000 2.869) 2.869 ======================= Grid point 304 (88/129) ======================= q-point: ( 0.08 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( 8.580 -1.189 -8.558) 12.176 0.508 ( 8.580 -1.189 8.558) 12.176 0.749 ( 3.974 -1.296 -10.697) 11.485 0.749 ( 3.974 -1.296 10.697) 11.485 1.072 ( 6.832 -0.559 -5.657) 8.888 1.072 ( 6.832 -0.559 5.657) 8.888 1.409 ( 0.858 0.117 -9.322) 9.362 1.409 ( 0.858 0.117 9.322) 9.362 1.464 ( 2.585 0.430 -0.276) 2.635 1.464 ( 2.585 0.430 0.276) 2.635 1.491 ( -1.820 0.143 -1.395) 2.298 1.491 ( -1.820 0.143 1.395) 2.298 1.618 ( 11.188 0.238 -1.313) 11.267 1.618 ( 11.188 0.238 1.313) 11.267 1.899 ( -1.715 0.844 -2.042) 2.797 1.899 ( -1.715 0.844 2.042) 2.797 2.597 ( 0.070 -0.852 -14.899) 14.924 2.597 ( 0.070 -0.852 14.899) 14.924 3.389 ( 3.200 -0.004 -0.599) 3.256 3.389 ( 3.200 -0.004 0.599) 3.256 3.696 ( -0.415 -0.287 -2.676) 2.723 3.696 ( -0.415 -0.287 2.676) 2.723 3.739 ( 1.545 0.050 -1.427) 2.104 3.739 ( 1.545 0.051 1.427) 2.104 3.894 ( 2.454 -0.113 -0.619) 2.533 3.894 ( 2.454 -0.113 0.619) 2.533 4.298 ( 0.768 0.469 -6.737) 6.797 4.298 ( 0.768 0.469 6.737) 6.797 4.507 ( -0.907 -0.460 -3.564) 3.706 4.507 ( -0.907 -0.460 3.564) 3.706 5.031 ( 0.021 1.257 -0.742) 1.460 5.031 ( 0.021 1.257 0.742) 1.460 5.244 ( -3.470 0.569 -0.855) 3.619 5.244 ( -3.470 0.569 0.855) 3.619 5.604 ( -2.059 -0.261 -1.976) 2.866 5.604 ( -2.059 -0.261 1.976) 2.866 ======================= Grid point 306 (89/129) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 11.312 0.746 -5.070) 12.418 0.707 ( 11.312 0.746 5.070) 12.418 0.849 ( 5.177 -1.335 -5.819) 7.902 0.849 ( 5.177 -1.335 5.819) 7.902 1.204 ( 5.451 -0.752 -1.679) 5.753 1.204 ( 5.451 -0.752 1.679) 5.753 1.428 ( 0.938 0.242 -4.044) 4.159 1.428 ( 0.938 0.242 4.044) 4.159 1.481 ( 1.709 0.305 -1.130) 2.071 1.481 ( 1.709 0.305 1.130) 2.071 1.520 ( 3.741 0.466 -0.363) 3.787 1.520 ( 3.741 0.466 0.363) 3.787 1.833 ( 0.380 0.917 -3.376) 3.519 1.833 ( 0.380 0.917 3.376) 3.519 1.927 ( 15.038 -0.500 -1.326) 15.104 1.927 ( 15.038 -0.500 1.326) 15.104 2.606 ( 0.362 -1.022 -14.955) 14.995 2.606 ( 0.362 -1.022 14.955) 14.995 3.448 ( 2.196 -0.002 -1.695) 2.774 3.448 ( 2.196 -0.002 1.695) 2.774 3.681 ( -0.638 -0.169 -4.245) 4.296 3.681 ( -0.638 -0.169 4.245) 4.296 3.778 ( 1.755 -0.449 -1.349) 2.259 3.778 ( 1.755 -0.449 1.349) 2.259 3.938 ( 1.903 -0.123 -0.256) 1.924 3.938 ( 1.903 -0.123 0.256) 1.924 4.306 ( 0.563 0.913 -5.146) 5.256 4.306 ( 0.563 0.913 5.146) 5.256 4.498 ( -0.333 -0.854 -0.705) 1.157 4.498 ( -0.333 -0.854 0.705) 1.157 5.022 ( -0.220 1.505 -1.898) 2.432 5.022 ( -0.220 1.505 1.898) 2.432 5.159 ( -4.824 0.389 -1.877) 5.190 5.159 ( -4.824 0.389 1.877) 5.190 5.563 ( -1.917 0.388 -0.666) 2.067 5.563 ( -1.917 0.388 0.666) 2.067 ======================= Grid point 308 (90/129) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( 9.628 2.545 -2.342) 10.230 0.905 ( 9.628 2.545 2.342) 10.230 0.938 ( 3.922 -0.172 -2.436) 4.620 0.938 ( 3.922 -0.172 2.436) 4.620 1.270 ( 1.768 0.907 -0.914) 2.188 1.270 ( 1.768 0.907 0.914) 2.188 1.453 ( 1.914 0.188 -2.310) 3.005 1.453 ( 1.914 0.188 2.310) 3.005 1.507 ( 1.490 2.426 -0.524) 2.895 1.507 ( 1.490 2.426 0.524) 2.895 1.627 ( 6.380 -2.003 -0.637) 6.718 1.627 ( 6.380 -2.003 0.637) 6.718 1.797 ( -2.506 -2.243 -1.987) 3.906 1.797 ( -2.506 -2.243 1.987) 3.906 2.262 ( 17.214 -0.134 -3.167) 17.503 2.262 ( 17.214 -0.134 3.167) 17.503 2.619 ( 0.419 -0.490 -15.247) 15.260 2.619 ( 0.419 -0.490 15.247) 15.260 3.444 ( -2.803 0.203 -4.377) 5.202 3.444 ( -2.803 0.203 4.377) 5.202 3.694 ( 2.113 -0.167 -3.970) 4.501 3.694 ( 2.113 -0.167 3.970) 4.501 3.804 ( 0.971 -0.333 -1.487) 1.807 3.804 ( 0.971 -0.333 1.487) 1.807 3.970 ( 1.580 -0.015 -0.434) 1.639 3.970 ( 1.580 -0.015 0.434) 1.639 4.318 ( 1.306 0.821 -1.667) 2.271 4.318 ( 1.306 0.821 1.667) 2.271 4.499 ( -0.222 -0.763 -1.200) 1.440 4.499 ( -0.222 -0.763 1.200) 1.440 5.002 ( -1.376 1.051 -3.777) 4.155 5.002 ( -1.376 1.051 3.777) 4.155 5.064 ( -4.936 0.025 -4.582) 6.735 5.064 ( -4.936 0.025 4.582) 6.735 5.533 ( -0.735 1.346 -1.171) 1.930 5.533 ( -0.735 1.346 1.171) 1.930 ======================= Grid point 310 (91/129) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( 0.876 0.670 -1.564) 1.914 0.967 ( 0.876 0.670 1.564) 1.914 1.061 ( 6.163 2.713 -1.595) 6.920 1.061 ( 6.163 2.713 1.595) 6.920 1.276 ( 0.921 3.923 -3.201) 5.147 1.276 ( 0.921 3.923 3.201) 5.147 1.491 ( 1.963 0.394 -0.747) 2.137 1.491 ( 1.963 0.394 0.747) 2.137 1.526 ( 1.883 1.324 -0.274) 2.318 1.526 ( 1.883 1.324 0.274) 2.318 1.733 ( 1.069 -2.445 -2.335) 3.546 1.733 ( 1.069 -2.445 2.335) 3.546 1.787 ( 1.414 -4.467 -0.690) 4.736 1.787 ( 1.414 -4.467 0.690) 4.736 2.538 ( 10.815 -0.162 -4.911) 11.879 2.538 ( 10.815 -0.162 4.911) 11.879 2.626 ( 0.536 0.155 -14.204) 14.215 2.626 ( 0.536 0.155 14.204) 14.215 3.357 ( -5.358 0.465 -5.534) 7.717 3.357 ( -5.358 0.465 5.534) 7.717 3.760 ( 4.706 0.095 -3.554) 5.898 3.760 ( 4.706 0.095 3.554) 5.898 3.826 ( 1.231 0.064 -1.105) 1.656 3.826 ( 1.231 0.064 1.105) 1.656 4.004 ( 2.100 -0.032 -0.304) 2.122 4.004 ( 2.100 -0.032 0.304) 2.122 4.346 ( 1.888 0.618 -1.863) 2.724 4.346 ( 1.888 0.618 1.863) 2.724 4.492 ( -0.910 -0.512 -1.444) 1.781 4.492 ( -0.910 -0.512 1.444) 1.781 4.945 ( -4.202 0.797 -2.327) 4.869 4.945 ( -4.202 0.797 2.327) 4.869 4.990 ( -2.579 -0.376 -3.051) 4.012 4.990 ( -2.579 -0.376 3.051) 4.012 5.518 ( -0.151 1.606 -2.468) 2.949 5.518 ( -0.151 1.606 2.468) 2.949 ======================= Grid point 312 (92/129) ======================= q-point: ( 0.42 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( -0.054 0.268 -1.077) 1.111 0.969 ( -0.054 0.268 1.077) 1.111 1.100 ( -0.007 2.371 -0.859) 2.522 1.100 ( -0.007 2.371 0.859) 2.522 1.295 ( 3.026 3.557 -5.169) 6.966 1.295 ( 3.026 3.557 5.169) 6.966 1.518 ( 1.139 0.390 -2.290) 2.587 1.518 ( 1.139 0.390 2.290) 2.587 1.558 ( 1.458 0.031 -1.753) 2.280 1.558 ( 1.458 0.031 1.753) 2.280 1.719 ( -2.021 -2.624 -1.626) 3.690 1.719 ( -2.021 -2.624 1.626) 3.690 1.861 ( 2.556 -2.591 -0.882) 3.745 1.861 ( 2.556 -2.591 0.882) 3.745 2.601 ( -0.458 0.581 -17.296) 17.312 2.601 ( -0.458 0.581 17.296) 17.312 2.705 ( 4.577 -0.262 -1.575) 4.848 2.705 ( 4.577 -0.262 1.575) 4.848 3.265 ( -3.520 0.435 -5.545) 6.582 3.265 ( -3.520 0.435 5.545) 6.582 3.842 ( 1.409 0.195 -2.064) 2.507 3.842 ( 1.409 0.195 2.064) 2.507 3.856 ( 3.678 0.265 -2.676) 4.556 3.856 ( 3.678 0.265 2.676) 4.556 4.049 ( 2.395 -0.108 -1.343) 2.748 4.049 ( 2.395 -0.108 1.343) 2.748 4.382 ( 2.224 0.448 -3.193) 3.917 4.382 ( 2.224 0.448 3.193) 3.917 4.469 ( -1.732 -0.381 -3.226) 3.681 4.469 ( -1.732 -0.381 3.226) 3.681 4.861 ( -3.693 0.349 -4.891) 6.139 4.861 ( -3.693 0.349 4.891) 6.139 4.956 ( -1.364 -0.198 -1.959) 2.396 4.956 ( -1.364 -0.198 1.959) 2.396 5.508 ( -0.164 1.023 -3.350) 3.506 5.508 ( -0.164 1.023 3.350) 3.506 ======================= Grid point 314 (93/129) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 0.000 -0.000 -0.392) 0.392 0.968 ( 0.000 -0.000 0.392) 0.392 1.085 ( 0.000 -0.000 -1.403) 1.403 1.085 ( 0.000 -0.000 1.403) 1.403 1.320 ( 0.000 -0.000 -5.674) 5.674 1.320 ( 0.000 -0.000 5.674) 5.674 1.528 ( 0.000 -0.000 -3.768) 3.768 1.528 ( 0.000 -0.000 3.768) 3.768 1.572 ( 0.000 -0.000 -2.548) 2.548 1.572 ( 0.000 -0.000 2.548) 2.548 1.705 ( 0.000 -0.000 -0.897) 0.897 1.705 ( 0.000 -0.000 0.897) 0.897 1.893 ( 0.000 -0.000 -0.243) 0.243 1.893 ( 0.000 -0.000 0.243) 0.243 2.593 ( 0.000 -0.000 -17.665) 17.665 2.593 ( 0.000 -0.000 17.665) 17.665 2.747 ( 0.000 -0.000 -1.129) 1.129 2.747 ( 0.000 -0.000 1.129) 1.129 3.230 ( 0.000 -0.000 -5.464) 5.464 3.230 ( 0.000 -0.000 5.464) 5.464 3.851 ( 0.000 -0.000 -2.265) 2.265 3.851 ( 0.000 -0.000 2.265) 2.265 3.896 ( 0.000 -0.000 -1.769) 1.769 3.896 ( 0.000 -0.000 1.769) 1.769 4.077 ( 0.000 -0.000 -2.586) 2.586 4.077 ( 0.000 -0.000 2.586) 2.586 4.416 ( 0.000 -0.000 -2.310) 2.310 4.416 ( 0.000 -0.000 2.310) 2.310 4.440 ( 0.000 -0.000 -10.615) 10.615 4.440 ( 0.000 -0.000 10.615) 10.615 4.821 ( 0.000 -0.000 -6.848) 6.848 4.821 ( 0.000 -0.000 6.848) 6.848 4.943 ( 0.000 -0.000 -2.212) 2.212 4.943 ( 0.000 -0.000 2.212) 2.212 5.503 ( 0.000 -0.000 -3.650) 3.650 5.503 ( 0.000 -0.000 3.650) 3.650 ======================= Grid point 330 (94/129) ======================= q-point: ( 0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 11.954 0.000 -4.864) 12.905 0.711 ( 11.954 0.000 4.864) 12.905 0.842 ( 5.549 0.000 -6.257) 8.363 0.842 ( 5.549 0.000 6.257) 8.363 1.200 ( 5.598 0.000 -1.773) 5.872 1.200 ( 5.598 0.000 1.773) 5.872 1.429 ( 0.878 0.000 -4.154) 4.246 1.429 ( 0.878 0.000 4.154) 4.246 1.482 ( 2.102 0.000 -1.417) 2.535 1.482 ( 2.102 0.000 1.417) 2.535 1.523 ( 3.380 0.000 -0.077) 3.381 1.523 ( 3.380 0.000 0.077) 3.381 1.838 ( -0.866 -0.000 -3.356) 3.466 1.838 ( -0.866 -0.000 3.356) 3.466 1.924 ( 15.645 0.000 -1.384) 15.706 1.924 ( 15.645 0.000 1.384) 15.706 2.601 ( 0.562 0.000 -14.921) 14.932 2.601 ( 0.562 0.000 14.921) 14.932 3.448 ( 2.214 0.000 -1.685) 2.782 3.448 ( 2.214 0.000 1.685) 2.782 3.680 ( -0.582 -0.000 -4.200) 4.241 3.680 ( -0.582 -0.000 4.200) 4.241 3.776 ( 1.711 0.000 -1.337) 2.172 3.776 ( 1.711 0.000 1.337) 2.172 3.937 ( 1.946 0.000 -0.207) 1.957 3.937 ( 1.946 0.000 0.207) 1.957 4.311 ( 0.502 0.000 -5.255) 5.279 4.311 ( 0.502 0.000 5.255) 5.279 4.493 ( -0.279 -0.000 -0.273) 0.390 4.493 ( -0.279 -0.000 0.273) 0.390 5.030 ( -0.510 -0.000 -1.665) 1.741 5.030 ( -0.510 -0.000 1.665) 1.741 5.162 ( -4.958 -0.000 -1.244) 5.112 5.162 ( -4.958 -0.000 1.244) 5.112 5.565 ( -1.670 -0.000 -0.508) 1.746 5.565 ( -1.670 -0.000 0.508) 1.746 ======================= Grid point 332 (95/129) ======================= q-point: ( 0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 7.397 0.478 -1.632) 7.590 0.921 ( 7.397 0.478 1.632) 7.590 0.942 ( 6.894 0.560 -1.486) 7.075 0.942 ( 6.894 0.560 1.486) 7.075 1.273 ( 2.582 -0.022 -0.967) 2.757 1.273 ( 2.582 -0.022 0.967) 2.757 1.455 ( 1.886 0.082 -2.367) 3.028 1.455 ( 1.886 0.082 2.367) 3.028 1.527 ( 1.988 1.152 -0.162) 2.304 1.527 ( 1.988 1.152 0.162) 2.304 1.614 ( 5.923 -0.496 -0.447) 5.960 1.614 ( 5.923 -0.496 0.447) 5.960 1.777 ( -3.863 -1.151 -1.652) 4.356 1.777 ( -3.863 -1.151 1.652) 4.356 2.261 ( 17.204 -0.045 -3.322) 17.522 2.261 ( 17.204 -0.045 3.322) 17.522 2.615 ( 0.760 -0.176 -15.171) 15.191 2.615 ( 0.760 -0.176 15.171) 15.191 3.446 ( -2.715 0.067 -4.411) 5.180 3.446 ( -2.715 0.067 4.411) 5.180 3.692 ( 2.150 -0.060 -4.020) 4.559 3.692 ( 2.150 -0.060 4.020) 4.559 3.802 ( 1.185 -0.118 -1.497) 1.913 3.802 ( 1.185 -0.118 1.497) 1.913 3.969 ( 1.607 -0.005 -0.371) 1.649 3.969 ( 1.607 -0.005 0.371) 1.649 4.324 ( 1.136 0.322 -1.603) 1.991 4.324 ( 1.136 0.322 1.603) 1.991 4.493 ( -0.054 -0.308 -0.997) 1.045 4.493 ( -0.054 -0.308 0.997) 1.045 5.010 ( -1.586 0.372 -3.731) 4.071 5.010 ( -1.586 0.372 3.731) 4.071 5.064 ( -5.164 0.012 -3.797) 6.410 5.064 ( -5.164 0.012 3.797) 6.410 5.543 ( -0.593 0.512 -0.995) 1.266 5.543 ( -0.593 0.512 0.995) 1.266 ======================= Grid point 334 (96/129) ======================= q-point: ( 0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.810 0.173 -1.849) 2.026 0.971 ( 0.810 0.173 1.849) 2.026 1.087 ( 5.923 1.963 -1.183) 6.351 1.087 ( 5.923 1.963 1.183) 6.351 1.309 ( 1.898 2.158 -3.283) 4.363 1.309 ( 1.898 2.158 3.283) 4.363 1.493 ( 2.113 0.137 -0.841) 2.278 1.493 ( 2.113 0.137 0.841) 2.278 1.544 ( 0.973 1.910 -0.388) 2.178 1.544 ( 0.973 1.910 0.388) 2.178 1.709 ( -0.540 -2.015 -2.474) 3.236 1.709 ( -0.540 -2.015 2.474) 3.236 1.744 ( 2.897 -3.134 -1.007) 4.385 1.744 ( 2.897 -3.134 1.007) 4.385 2.537 ( 10.985 -0.072 -4.976) 12.060 2.537 ( 10.985 -0.072 4.976) 12.060 2.627 ( 0.608 0.084 -14.242) 14.255 2.627 ( 0.608 0.084 14.242) 14.255 3.361 ( -5.305 0.264 -5.546) 7.680 3.361 ( -5.305 0.264 5.546) 7.680 3.761 ( 4.883 0.061 -3.566) 6.047 3.761 ( 4.883 0.061 3.566) 6.047 3.826 ( 1.315 0.027 -1.158) 1.752 3.826 ( 1.315 0.027 1.158) 1.752 4.004 ( 2.062 -0.017 -0.246) 2.077 4.004 ( 2.062 -0.017 0.246) 2.077 4.351 ( 1.766 0.370 -1.759) 2.520 4.351 ( 1.766 0.370 1.759) 2.520 4.488 ( -0.779 -0.319 -1.416) 1.648 4.488 ( -0.779 -0.319 1.416) 1.648 4.952 ( -4.546 0.549 -1.722) 4.892 4.952 ( -4.546 0.549 1.722) 4.892 4.987 ( -2.452 -0.299 -2.240) 3.335 4.987 ( -2.452 -0.299 2.240) 3.335 5.531 ( -0.362 0.930 -2.386) 2.586 5.531 ( -0.362 0.930 2.386) 2.586 ======================= Grid point 336 (97/129) ======================= q-point: ( 0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( -0.272 0.185 -1.194) 1.239 0.971 ( -0.272 0.185 1.194) 1.239 1.125 ( -0.332 2.161 -0.871) 2.353 1.125 ( -0.332 2.161 0.871) 2.353 1.327 ( 1.091 2.375 -5.047) 5.684 1.327 ( 1.091 2.375 5.047) 5.684 1.523 ( 0.952 0.475 -2.204) 2.447 1.523 ( 0.952 0.475 2.204) 2.447 1.557 ( 0.989 -0.167 -1.129) 1.510 1.557 ( 0.989 -0.167 1.129) 1.510 1.696 ( -0.446 -1.662 -1.237) 2.119 1.696 ( -0.446 -1.662 1.237) 2.119 1.834 ( 3.520 -2.315 -0.896) 4.307 1.834 ( 3.520 -2.315 0.896) 4.307 2.607 ( -0.587 0.397 -17.498) 17.512 2.607 ( -0.587 0.397 17.498) 17.512 2.702 ( 4.687 -0.183 -1.601) 4.956 2.702 ( 4.687 -0.183 1.601) 4.956 3.269 ( -3.673 0.315 -5.512) 6.631 3.269 ( -3.673 0.315 5.512) 6.631 3.844 ( 1.142 0.178 -2.035) 2.340 3.844 ( 1.142 0.178 2.035) 2.340 3.858 ( 3.875 0.151 -2.686) 4.717 3.858 ( 3.875 0.151 2.686) 4.717 4.048 ( 2.405 -0.078 -1.370) 2.769 4.048 ( 2.405 -0.078 1.370) 2.769 4.386 ( 2.118 0.330 -3.007) 3.693 4.386 ( 2.118 0.330 3.007) 3.693 4.466 ( -1.673 -0.280 -3.436) 3.832 4.466 ( -1.673 -0.280 3.436) 3.832 4.865 ( -3.889 0.261 -4.846) 6.219 4.865 ( -3.889 0.261 4.846) 6.219 4.954 ( -1.257 -0.145 -2.025) 2.387 4.954 ( -1.257 -0.145 2.025) 2.387 5.517 ( -0.633 0.747 -3.321) 3.462 5.517 ( -0.633 0.747 3.321) 3.462 ======================= Grid point 338 (98/129) ======================= q-point: ( 0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.024 -0.006 -0.485) 0.485 0.968 ( -0.024 -0.006 0.485) 0.485 1.091 ( -1.405 0.976 -1.334) 2.169 1.091 ( -1.405 0.976 1.334) 2.169 1.312 ( -2.583 -1.471 -5.627) 6.364 1.312 ( -2.583 -1.471 5.627) 6.364 1.528 ( -0.199 -0.017 -3.756) 3.761 1.528 ( -0.199 -0.017 3.756) 3.761 1.571 ( 0.078 -0.161 -2.323) 2.330 1.571 ( 0.078 -0.161 2.323) 2.330 1.713 ( 1.993 1.334 -0.784) 2.523 1.713 ( 1.993 1.334 0.784) 2.523 1.890 ( 1.368 -0.559 -0.474) 1.552 1.890 ( 1.368 -0.559 0.474) 1.552 2.592 ( -0.459 -0.067 -17.711) 17.717 2.592 ( -0.459 -0.067 17.711) 17.717 2.747 ( 0.168 0.028 -1.221) 1.233 2.747 ( 0.168 0.028 1.221) 1.233 3.230 ( -0.274 -0.002 -5.462) 5.469 3.230 ( -0.274 -0.002 5.462) 5.469 3.851 ( -0.103 -0.009 -2.266) 2.269 3.851 ( -0.103 -0.009 2.266) 2.269 3.896 ( -0.252 -0.010 -1.769) 1.787 3.896 ( -0.252 -0.010 1.769) 1.787 4.077 ( 0.085 0.012 -2.579) 2.580 4.077 ( 0.085 0.012 2.579) 2.580 4.415 ( -0.747 -0.088 -1.989) 2.127 4.415 ( -0.747 -0.088 1.989) 2.127 4.441 ( 0.737 0.099 -10.303) 10.330 4.441 ( 0.737 0.099 10.303) 10.330 4.821 ( -0.190 -0.005 -6.850) 6.853 4.821 ( -0.190 -0.005 6.850) 6.853 4.943 ( 0.104 0.000 -2.212) 2.214 4.943 ( 0.104 0.000 2.212) 2.214 5.503 ( -0.582 0.004 -3.649) 3.695 5.503 ( -0.582 0.004 3.649) 3.695 ======================= Grid point 340 (99/129) ======================= q-point: (-0.50 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -0.339 -0.279 -0.878) 0.982 0.966 ( -0.339 -0.279 0.878) 0.982 1.077 ( -0.672 -1.766 -0.799) 2.052 1.077 ( -0.672 -1.766 0.799) 2.052 1.255 ( -4.206 -3.841 -5.256) 7.751 1.255 ( -4.206 -3.841 5.256) 7.751 1.515 ( -1.278 -0.258 -2.278) 2.624 1.515 ( -1.278 -0.258 2.278) 2.624 1.557 ( -1.627 -0.086 -1.922) 2.519 1.557 ( -1.627 -0.086 1.922) 2.519 1.748 ( 2.524 2.661 -1.699) 4.042 1.748 ( 2.524 2.661 1.699) 4.042 1.887 ( -1.251 2.217 -0.808) 2.671 1.887 ( -1.251 2.217 0.808) 2.671 2.595 ( 0.358 -0.627 -17.182) 17.197 2.595 ( 0.358 -0.627 17.182) 17.197 2.708 ( -4.477 0.274 -1.676) 4.788 2.708 ( -4.477 0.274 1.676) 4.788 3.260 ( 3.341 -0.440 -5.576) 6.515 3.260 ( 3.341 -0.440 5.576) 6.515 3.840 ( -1.554 -0.130 -2.071) 2.592 3.840 ( -1.554 -0.130 2.071) 2.592 3.853 ( -3.612 -0.342 -2.697) 4.521 3.853 ( -3.612 -0.342 2.697) 4.521 4.050 ( -2.388 0.110 -1.291) 2.717 4.050 ( -2.388 0.110 1.291) 2.717 4.377 ( -2.342 -0.447 -3.337) 4.102 4.377 ( -2.342 -0.447 3.337) 4.102 4.474 ( 1.782 0.381 -3.001) 3.511 4.474 ( 1.782 0.381 3.001) 3.511 4.858 ( 3.487 -0.343 -4.940) 6.057 4.858 ( 3.487 -0.343 4.940) 6.057 4.958 ( 1.483 0.201 -1.776) 2.323 4.958 ( 1.483 0.201 1.776) 2.323 5.496 ( -0.384 -1.026 -3.362) 3.536 5.496 ( -0.384 -1.026 3.362) 3.536 ======================= Grid point 342 (100/129) ======================= q-point: (-0.42 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( -1.717 -1.658 -1.141) 2.646 0.954 ( -1.717 -1.658 1.141) 2.646 1.035 ( -5.494 -1.939 -1.531) 6.024 1.035 ( -5.494 -1.939 1.531) 6.024 1.231 ( -0.367 -4.416 -3.191) 5.461 1.231 ( -0.367 -4.416 3.191) 5.461 1.486 ( -1.891 -0.493 -0.815) 2.118 1.486 ( -1.891 -0.493 0.815) 2.118 1.517 ( -2.552 -0.613 -0.368) 2.650 1.517 ( -2.552 -0.613 0.368) 2.650 1.759 ( -1.144 2.525 -1.980) 3.406 1.759 ( -1.144 2.525 1.980) 3.406 1.833 ( -1.450 4.076 -0.320) 4.338 1.833 ( -1.450 4.076 0.320) 4.338 2.541 ( -10.566 0.248 -4.780) 11.600 2.541 ( -10.566 0.248 4.780) 11.600 2.624 ( -0.418 -0.196 -14.166) 14.174 2.624 ( -0.418 -0.196 14.166) 14.174 3.352 ( 5.425 -0.550 -5.518) 7.758 3.352 ( 5.425 -0.550 5.518) 7.758 3.759 ( -4.481 -0.095 -3.536) 5.709 3.759 ( -4.481 -0.095 3.536) 5.709 3.825 ( -1.095 -0.101 -1.038) 1.512 3.825 ( -1.095 -0.101 1.038) 1.512 4.004 ( -2.150 0.039 -0.325) 2.175 4.004 ( -2.150 0.039 0.325) 2.175 4.338 ( -2.030 -0.691 -1.871) 2.846 4.338 ( -2.030 -0.691 1.871) 2.846 4.498 ( 1.049 0.536 -1.408) 1.836 4.498 ( 1.049 0.536 1.408) 1.836 4.936 ( 3.877 -0.810 -2.292) 4.575 4.936 ( 3.877 -0.810 2.292) 4.575 4.994 ( 2.595 0.346 -3.178) 4.118 4.994 ( 2.595 0.346 3.178) 4.118 5.499 ( -0.114 -1.849 -2.513) 3.122 5.499 ( -0.114 -1.849 2.513) 3.122 ======================= Grid point 344 (101/129) ======================= q-point: (-0.33 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -8.909 -3.111 -3.701) 10.136 0.874 ( -8.909 -3.111 3.701) 10.136 0.943 ( -3.303 0.689 -3.114) 4.591 0.943 ( -3.303 0.689 3.114) 4.591 1.250 ( -0.674 -2.876 -0.818) 3.065 1.250 ( -0.674 -2.876 0.818) 3.065 1.451 ( -1.890 -0.242 -2.675) 3.284 1.451 ( -1.890 -0.242 2.675) 3.284 1.482 ( -1.505 -1.958 -1.381) 2.830 1.482 ( -1.505 -1.958 1.381) 2.830 1.656 ( -6.601 3.446 -0.993) 7.513 1.656 ( -6.601 3.446 0.993) 7.513 1.819 ( 0.751 1.815 -2.247) 2.985 1.819 ( 0.751 1.815 2.247) 2.985 2.264 ( -17.256 0.202 -2.893) 17.498 2.264 ( -17.256 0.202 2.893) 17.498 2.625 ( 0.159 0.689 -15.358) 15.374 2.625 ( 0.159 0.689 15.358) 15.374 3.441 ( 2.937 -0.317 -4.323) 5.236 3.441 ( 2.937 -0.317 4.323) 5.236 3.696 ( -2.049 0.229 -3.867) 4.382 3.696 ( -2.049 0.229 3.867) 4.382 3.809 ( -0.570 0.482 -1.458) 1.638 3.809 ( -0.570 0.482 1.458) 1.638 3.970 ( -1.536 0.019 -0.487) 1.611 3.970 ( -1.536 0.019 0.487) 1.611 4.308 ( -1.551 -1.019 -1.646) 2.481 4.308 ( -1.551 -1.019 1.646) 2.481 4.508 ( 0.453 0.888 -1.311) 1.647 4.508 ( 0.453 0.888 1.311) 1.647 4.988 ( 0.858 -1.512 -3.408) 3.826 4.988 ( 0.858 -1.512 3.408) 3.826 5.064 ( 4.650 -0.019 -5.331) 7.074 5.064 ( 4.650 -0.019 5.331) 7.074 5.516 ( 1.055 -1.718 -1.314) 2.407 5.516 ( 1.055 -1.718 1.314) 2.407 ======================= Grid point 346 (102/129) ======================= q-point: (-0.25 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -9.639 -0.382 -5.137) 10.929 0.700 ( -9.639 -0.382 5.137) 10.929 0.867 ( -4.224 1.898 -4.913) 6.751 0.867 ( -4.224 1.898 4.913) 6.751 1.211 ( -4.686 0.112 -1.527) 4.930 1.211 ( -4.686 0.112 1.527) 4.930 1.424 ( -1.196 -0.484 -4.507) 4.688 1.424 ( -1.196 -0.484 4.507) 4.688 1.473 ( -0.542 -1.197 -2.121) 2.495 1.473 ( -0.542 -1.197 2.121) 2.495 1.522 ( -5.107 1.087 -0.994) 5.316 1.522 ( -5.107 1.087 0.994) 5.316 1.820 ( -2.536 -1.398 -3.142) 4.273 1.820 ( -2.536 -1.398 3.142) 4.273 1.932 ( -14.421 0.412 -1.092) 14.469 1.932 ( -14.421 0.412 1.092) 14.469 2.621 ( 0.141 1.699 -15.034) 15.131 2.621 ( 0.141 1.699 15.034) 15.131 3.448 ( -2.140 -0.043 -1.718) 2.744 3.448 ( -2.140 -0.043 1.718) 2.744 3.683 ( 0.746 0.243 -4.289) 4.360 3.683 ( 0.746 0.243 4.289) 4.360 3.785 ( -1.834 0.875 -1.315) 2.421 3.785 ( -1.834 0.875 1.315) 2.421 3.940 ( -1.775 0.232 -0.321) 1.819 3.940 ( -1.775 0.232 0.321) 1.819 4.294 ( -0.716 -1.410 -4.926) 5.173 4.294 ( -0.716 -1.410 4.926) 5.173 4.510 ( 0.449 1.227 -1.198) 1.773 4.510 ( 0.449 1.227 1.198) 1.773 4.999 ( -0.615 -2.857 -2.346) 3.747 4.999 ( -0.615 -2.857 2.346) 3.747 5.155 ( 4.572 -0.438 -3.203) 5.599 5.155 ( 4.572 -0.438 3.203) 5.599 5.558 ( 2.595 -0.480 -0.839) 2.769 5.558 ( 2.595 -0.480 0.839) 2.769 ======================= Grid point 348 (103/129) ======================= q-point: (-0.17 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -6.615 3.308 -7.303) 10.394 0.532 ( -6.615 3.308 7.303) 10.394 0.774 ( -3.531 3.349 -9.616) 10.778 0.774 ( -3.531 3.349 9.616) 10.778 1.084 ( -6.812 1.504 -4.965) 8.562 1.084 ( -6.812 1.504 4.965) 8.562 1.406 ( -0.748 -0.494 -8.576) 8.622 1.406 ( -0.748 -0.494 8.576) 8.622 1.456 ( -2.770 -1.034 -1.073) 3.146 1.456 ( -2.770 -1.034 1.073) 3.146 1.488 ( 1.738 -0.353 -2.423) 3.003 1.488 ( 1.738 -0.353 2.423) 3.003 1.613 ( -11.032 -0.577 -1.361) 11.131 1.613 ( -11.032 -0.577 1.361) 11.131 1.882 ( 0.947 -2.279 -2.435) 3.467 1.882 ( 0.947 -2.279 2.435) 3.467 2.613 ( 0.170 2.192 -14.919) 15.081 2.613 ( 0.170 2.192 14.919) 15.081 3.389 ( -3.212 0.000 -0.617) 3.271 3.389 ( -3.212 0.000 0.617) 3.271 3.702 ( 0.555 0.733 -3.110) 3.243 3.702 ( 0.555 0.733 3.110) 3.243 3.738 ( -1.820 -0.047 -1.153) 2.155 3.738 ( -1.820 -0.047 1.153) 2.155 3.896 ( -2.446 0.328 -0.597) 2.539 3.896 ( -2.446 0.328 0.597) 2.539 4.289 ( -0.656 -1.212 -6.455) 6.600 4.289 ( -0.656 -1.212 6.455) 6.600 4.516 ( 0.821 1.092 -3.739) 3.981 4.516 ( 0.821 1.092 3.739) 3.981 5.005 ( -0.464 -3.635 -2.394) 4.377 5.005 ( -0.464 -3.635 2.394) 4.377 5.234 ( 3.147 -1.033 -1.301) 3.559 5.234 ( 3.147 -1.033 1.301) 3.559 5.609 ( 2.473 0.726 -2.089) 3.318 5.609 ( 2.473 0.726 2.089) 3.318 ======================= Grid point 350 (104/129) ======================= q-point: (-0.08 0.08 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( -0.000 4.720 -10.247) 11.282 0.440 ( -0.000 4.720 10.247) 11.282 0.720 ( -0.000 2.789 -13.032) 13.327 0.720 ( -0.000 2.789 13.032) 13.327 1.001 ( -0.000 1.030 -7.896) 7.963 1.001 ( -0.000 1.030 7.896) 7.963 1.405 ( 0.000 -0.016 -11.999) 11.999 1.405 ( 0.000 -0.016 11.999) 11.999 1.419 ( 0.000 -0.812 -0.448) 0.927 1.419 ( 0.000 -0.812 0.448) 0.927 1.509 ( 0.000 -0.531 -1.520) 1.610 1.509 ( 0.000 -0.531 1.520) 1.610 1.521 ( 0.000 -0.419 -2.214) 2.254 1.521 ( 0.000 -0.419 2.214) 2.254 1.907 ( 0.000 -2.311 -2.311) 3.269 1.907 ( 0.000 -2.311 2.311) 3.269 2.604 ( -0.000 1.837 -14.961) 15.073 2.604 ( -0.000 1.837 14.961) 15.073 3.354 ( 0.000 -0.004 -1.208) 1.208 3.354 ( 0.000 -0.004 1.208) 1.208 3.690 ( -0.000 0.092 -0.052) 0.106 3.690 ( -0.000 0.092 0.052) 0.106 3.735 ( -0.000 0.240 -4.765) 4.771 3.735 ( -0.000 0.240 4.765) 4.771 3.865 ( -0.000 0.190 -0.294) 0.350 3.865 ( -0.000 0.190 0.294) 0.350 4.286 ( 0.000 -0.733 -6.934) 6.973 4.286 ( 0.000 -0.733 6.934) 6.973 4.521 ( -0.000 0.729 -5.337) 5.386 4.521 ( -0.000 0.729 5.337) 5.386 5.019 ( 0.000 -2.927 -1.989) 3.539 5.019 ( 0.000 -2.927 1.989) 3.539 5.273 ( 0.000 -1.322 -1.485) 1.988 5.273 ( 0.000 -1.322 1.485) 1.988 5.630 ( -0.000 0.910 -2.987) 3.123 5.630 ( -0.000 0.910 2.987) 3.123 ======================= Grid point 356 (105/129) ======================= q-point: ( 0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.852 0.000 -1.922) 2.102 0.971 ( 0.852 0.000 1.922) 2.102 1.098 ( 5.712 0.000 -0.846) 5.775 1.098 ( 5.712 0.000 0.846) 5.775 1.321 ( 2.447 0.000 -3.324) 4.127 1.321 ( 2.447 0.000 3.324) 4.127 1.494 ( 2.152 0.000 -0.879) 2.325 1.494 ( 2.152 0.000 0.879) 2.325 1.557 ( 0.568 0.000 -0.532) 0.778 1.557 ( 0.568 0.000 0.532) 0.778 1.695 ( -2.137 -0.000 -1.955) 2.896 1.695 ( -2.137 -0.000 1.955) 2.896 1.727 ( 4.406 0.000 -0.451) 4.429 1.727 ( 4.406 0.000 0.451) 4.429 2.537 ( 11.045 0.000 -4.993) 12.121 2.537 ( 11.045 0.000 4.993) 12.121 2.627 ( 0.632 0.000 -14.258) 14.272 2.627 ( 0.632 0.000 14.258) 14.272 3.362 ( -5.285 -0.000 -5.551) 7.664 3.362 ( -5.285 -0.000 5.551) 7.664 3.761 ( 4.951 0.000 -3.570) 6.104 3.761 ( 4.951 0.000 3.570) 6.104 3.826 ( 1.341 0.000 -1.178) 1.785 3.826 ( 1.341 0.000 1.178) 1.785 4.004 ( 2.049 0.000 -0.211) 2.059 4.004 ( 2.049 0.000 0.211) 2.059 4.353 ( 1.717 0.000 -1.688) 2.407 4.353 ( 1.717 0.000 1.688) 2.407 4.486 ( -0.725 -0.000 -1.387) 1.565 4.486 ( -0.725 -0.000 1.387) 1.565 4.955 ( -4.743 -0.000 -0.194) 4.747 4.955 ( -4.743 -0.000 0.194) 4.747 4.985 ( -2.333 -0.000 -0.977) 2.529 4.985 ( -2.333 -0.000 0.977) 2.529 5.536 ( -0.443 -0.000 -2.346) 2.388 5.536 ( -0.443 -0.000 2.346) 2.388 ======================= Grid point 358 (106/129) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -0.355 0.065 -1.246) 1.298 0.973 ( -0.355 0.065 1.246) 1.298 1.142 ( -0.366 0.898 -0.822) 1.271 1.142 ( -0.366 0.898 0.822) 1.271 1.344 ( -0.564 0.796 -4.905) 5.001 1.344 ( -0.564 0.796 4.905) 5.001 1.527 ( 0.826 0.272 -2.078) 2.253 1.527 ( 0.826 0.272 2.078) 2.253 1.555 ( 0.350 -0.194 -0.385) 0.555 1.555 ( 0.350 -0.194 0.385) 0.555 1.685 ( 1.329 -0.449 -0.825) 1.628 1.685 ( 1.329 -0.449 0.825) 1.628 1.816 ( 3.958 -0.998 -0.927) 4.186 1.816 ( 3.958 -0.998 0.927) 4.186 2.610 ( -0.682 0.140 -17.659) 17.673 2.610 ( -0.682 0.140 17.659) 17.673 2.701 ( 4.762 -0.065 -1.695) 5.055 2.701 ( 4.762 -0.065 1.695) 5.055 3.271 ( -3.759 0.115 -5.490) 6.655 3.271 ( -3.759 0.115 5.490) 6.655 3.846 ( 0.911 0.073 -2.007) 2.205 3.846 ( 0.911 0.073 2.007) 2.205 3.859 ( 4.064 0.045 -2.705) 4.882 3.859 ( 4.064 0.045 2.705) 4.882 4.047 ( 2.412 -0.028 -1.377) 2.777 4.047 ( 2.412 -0.028 1.377) 2.777 4.388 ( 2.054 0.121 -2.861) 3.524 4.388 ( 2.054 0.121 2.861) 3.524 4.464 ( -1.631 -0.103 -3.564) 3.921 4.464 ( -1.631 -0.103 3.564) 3.921 4.867 ( -4.011 0.097 -4.819) 6.270 4.867 ( -4.011 0.097 4.819) 6.270 4.953 ( -1.191 -0.053 -2.026) 2.351 4.953 ( -1.191 -0.053 2.026) 2.351 5.523 ( -0.902 0.273 -3.298) 3.430 5.523 ( -0.902 0.273 3.298) 3.430 ======================= Grid point 360 (107/129) ======================= q-point: ( 0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -0.062 -0.005 -0.606) 0.610 0.968 ( -0.062 -0.005 0.606) 0.610 1.103 ( -2.389 1.129 -1.105) 2.865 1.103 ( -2.389 1.129 1.105) 2.865 1.294 ( -4.298 -1.593 -5.575) 7.217 1.294 ( -4.298 -1.593 5.575) 7.217 1.528 ( -0.340 -0.017 -3.731) 3.746 1.528 ( -0.340 -0.017 3.731) 3.746 1.570 ( 0.257 -0.125 -1.929) 1.950 1.570 ( 0.257 -0.125 1.929) 1.950 1.728 ( 3.016 1.355 -0.617) 3.364 1.728 ( 3.016 1.355 0.617) 3.364 1.883 ( 2.485 -0.648 -0.754) 2.676 1.883 ( 2.485 -0.648 0.754) 2.676 2.591 ( -0.796 -0.067 -17.803) 17.821 2.591 ( -0.796 -0.067 17.803) 17.821 2.748 ( 0.288 0.028 -1.382) 1.412 2.748 ( 0.288 0.028 1.382) 1.412 3.230 ( -0.475 -0.002 -5.458) 5.478 3.230 ( -0.475 -0.002 5.458) 5.478 3.851 ( -0.178 -0.009 -2.270) 2.277 3.851 ( -0.178 -0.009 2.270) 2.277 3.896 ( -0.437 -0.010 -1.769) 1.822 3.896 ( -0.437 -0.010 1.769) 1.822 4.078 ( 0.148 0.012 -2.564) 2.569 4.078 ( 0.148 0.012 2.564) 2.569 4.414 ( -1.198 -0.081 -1.441) 1.876 4.414 ( -1.198 -0.081 1.441) 1.876 4.442 ( 1.181 0.092 -9.782) 9.853 4.442 ( 1.181 0.092 9.782) 9.853 4.821 ( -0.329 -0.005 -6.853) 6.861 4.821 ( -0.329 -0.005 6.853) 6.861 4.943 ( 0.181 0.000 -2.212) 2.219 4.943 ( 0.181 0.000 2.212) 2.219 5.503 ( -1.008 0.004 -3.647) 3.784 5.503 ( -1.008 0.004 3.647) 3.784 ======================= Grid point 362 (108/129) ======================= q-point: (-0.58 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( -0.807 -0.197 -0.588) 1.018 0.963 ( -0.807 -0.197 0.588) 1.018 1.063 ( -1.568 -0.882 -0.663) 1.917 1.063 ( -1.568 -0.882 0.663) 1.917 1.218 ( -4.482 -3.043 -5.364) 7.623 1.218 ( -4.482 -3.043 5.364) 7.623 1.513 ( -1.352 -0.147 -2.204) 2.590 1.513 ( -1.352 -0.147 2.204) 2.590 1.556 ( -1.704 -0.062 -1.811) 2.488 1.556 ( -1.704 -0.062 1.811) 2.488 1.773 ( 2.329 1.897 -1.426) 3.325 1.773 ( 2.329 1.897 1.426) 3.325 1.907 ( 0.023 1.481 -0.642) 1.614 1.907 ( 0.023 1.481 0.642) 1.614 2.589 ( 0.311 -0.491 -17.181) 17.191 2.589 ( 0.311 -0.491 17.181) 17.191 2.710 ( -4.409 0.207 -1.800) 4.766 2.710 ( -4.409 0.207 1.800) 4.766 3.256 ( 3.183 -0.326 -5.597) 6.447 3.256 ( 3.183 -0.326 5.597) 6.447 3.840 ( -1.471 -0.022 -2.025) 2.503 3.840 ( -1.471 -0.022 2.025) 2.503 3.849 ( -3.760 -0.331 -2.772) 4.683 3.849 ( -3.760 -0.331 2.772) 4.683 4.051 ( -2.386 0.082 -1.229) 2.685 4.051 ( -2.386 0.082 1.229) 2.685 4.373 ( -2.443 -0.328 -3.422) 4.217 4.373 ( -2.443 -0.328 3.422) 4.217 4.477 ( 1.812 0.280 -2.821) 3.364 4.477 ( 1.812 0.280 2.821) 3.364 4.854 ( 3.322 -0.247 -4.981) 5.992 4.854 ( 3.322 -0.247 4.981) 5.992 4.960 ( 1.585 0.150 -1.496) 2.184 4.960 ( 1.585 0.150 1.496) 2.184 5.487 ( -0.863 -0.754 -3.353) 3.543 5.487 ( -0.863 -0.754 3.353) 3.543 ======================= Grid point 364 (109/129) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -3.206 -2.124 -1.485) 4.122 0.933 ( -3.206 -2.124 1.485) 4.122 1.021 ( -3.991 -0.860 -1.186) 4.252 1.021 ( -3.991 -0.860 1.186) 4.252 1.187 ( -0.277 -3.590 -3.297) 4.882 1.187 ( -0.277 -3.590 3.297) 4.882 1.481 ( -1.977 -0.364 -1.053) 2.269 1.481 ( -1.977 -0.364 1.053) 2.269 1.512 ( -2.838 -0.343 -0.338) 2.878 1.512 ( -2.838 -0.343 0.338) 2.878 1.784 ( -0.697 2.040 -1.619) 2.696 1.784 ( -0.697 2.040 1.619) 2.696 1.871 ( -1.994 2.986 -0.118) 3.593 1.871 ( -1.994 2.986 0.118) 3.593 2.543 ( -10.305 0.270 -4.596) 11.287 2.543 ( -10.305 0.270 4.596) 11.287 2.622 ( -0.270 -0.186 -14.147) 14.151 2.622 ( -0.270 -0.186 14.147) 14.151 3.346 ( 5.487 -0.488 -5.504) 7.787 3.346 ( 5.487 -0.488 5.504) 7.787 3.758 ( -4.276 -0.069 -3.518) 5.537 3.758 ( -4.276 -0.069 3.518) 5.537 3.824 ( -0.936 -0.111 -0.975) 1.356 3.824 ( -0.936 -0.111 0.975) 1.356 4.005 ( -2.200 0.035 -0.289) 2.220 4.005 ( -2.200 0.035 0.289) 2.220 4.332 ( -2.151 -0.587 -1.780) 2.853 4.332 ( -2.151 -0.587 1.780) 2.853 4.503 ( 1.151 0.424 -1.326) 1.806 4.503 ( 1.151 0.424 1.326) 1.806 4.928 ( 3.595 -0.652 -2.011) 4.170 4.928 ( 3.595 -0.652 2.011) 4.170 4.998 ( 2.555 0.270 -2.933) 3.899 4.998 ( 2.555 0.270 2.933) 3.899 5.480 ( -0.352 -1.598 -2.458) 2.953 5.480 ( -0.352 -1.598 2.458) 2.953 ======================= Grid point 366 (110/129) ======================= q-point: (-0.42 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -7.509 -2.471 -3.966) 8.844 0.844 ( -7.509 -2.471 3.966) 8.844 0.952 ( -2.934 0.814 -2.966) 4.251 0.952 ( -2.934 0.814 2.966) 4.251 1.212 ( -0.129 -3.969 -0.881) 4.067 1.212 ( -0.129 -3.969 0.881) 4.067 1.447 ( -1.753 -0.387 -3.563) 3.990 1.447 ( -1.753 -0.387 3.563) 3.990 1.467 ( -1.806 -1.019 -1.859) 2.785 1.467 ( -1.806 -1.019 1.859) 2.785 1.697 ( -6.298 4.087 -1.454) 7.648 1.697 ( -6.298 4.087 1.454) 7.648 1.833 ( -0.990 0.744 -2.326) 2.635 1.833 ( -0.990 0.744 2.326) 2.635 2.266 ( -17.355 0.207 -2.575) 17.546 2.266 ( -17.355 0.207 2.575) 17.546 2.633 ( 0.802 0.714 -15.453) 15.491 2.633 ( 0.802 0.714 15.453) 15.491 3.438 ( 3.063 -0.356 -4.270) 5.267 3.438 ( 3.063 -0.356 4.270) 5.267 3.698 ( -1.980 0.224 -3.725) 4.225 3.698 ( -1.980 0.224 3.725) 4.225 3.814 ( -0.059 0.518 -1.392) 1.486 3.814 ( -0.059 0.518 1.392) 1.486 3.970 ( -1.488 0.015 -0.479) 1.564 3.970 ( -1.488 0.015 0.479) 1.564 4.298 ( -1.784 -0.938 -1.524) 2.527 4.298 ( -1.784 -0.938 1.524) 2.527 4.517 ( 0.645 0.740 -1.242) 1.583 4.517 ( 0.645 0.740 1.242) 1.583 4.971 ( 0.098 -1.592 -2.588) 3.040 4.971 ( 0.098 -1.592 2.588) 3.040 5.063 ( 4.422 -0.002 -5.814) 7.305 5.063 ( 4.422 -0.002 5.814) 7.305 5.498 ( 1.529 -1.581 -1.263) 2.536 5.498 ( 1.529 -1.581 1.263) 2.536 ======================= Grid point 368 (111/129) ======================= q-point: (-0.33 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.701 ( -7.425 0.567 -4.493) 8.697 0.701 ( -7.425 0.567 4.493) 8.697 0.888 ( -3.064 2.128 -4.044) 5.502 0.888 ( -3.064 2.128 4.044) 5.502 1.201 ( -3.207 -1.977 -1.548) 4.073 1.201 ( -3.207 -1.977 1.548) 4.073 1.418 ( -1.631 -0.610 -5.762) 6.019 1.418 ( -1.631 -0.610 5.762) 6.019 1.460 ( 0.235 -1.079 -3.483) 3.654 1.460 ( 0.235 -1.079 3.483) 3.654 1.544 ( -6.595 2.975 -1.169) 7.329 1.544 ( -6.595 2.975 1.169) 7.329 1.804 ( -4.026 -1.627 -2.607) 5.064 1.804 ( -4.026 -1.627 2.607) 5.064 1.934 ( -14.661 -0.016 -0.868) 14.687 1.934 ( -14.661 -0.016 0.868) 14.687 2.640 ( 0.737 1.861 -15.113) 15.244 2.640 ( 0.737 1.861 15.113) 15.244 3.447 ( -2.051 -0.119 -1.739) 2.692 3.447 ( -2.051 -0.119 1.739) 2.692 3.686 ( 0.812 0.223 -4.208) 4.292 3.686 ( 0.812 0.223 4.208) 4.292 3.796 ( -1.871 1.146 -1.142) 2.474 3.796 ( -1.871 1.146 1.142) 2.474 3.943 ( -1.568 0.292 -0.321) 1.627 3.943 ( -1.568 0.292 0.321) 1.627 4.278 ( -0.917 -1.466 -4.754) 5.058 4.278 ( -0.917 -1.466 4.754) 5.058 4.522 ( 0.540 1.101 -1.511) 1.946 4.522 ( 0.540 1.101 1.511) 1.946 4.964 ( -1.733 -3.484 -2.836) 4.815 4.964 ( -1.733 -3.484 2.836) 4.815 5.151 ( 4.404 -0.283 -4.390) 6.225 5.151 ( 4.404 -0.283 4.390) 6.225 5.554 ( 3.502 -0.306 -0.808) 3.607 5.554 ( 3.502 -0.306 0.808) 3.607 ======================= Grid point 370 (112/129) ======================= q-point: (-0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( -3.981 4.592 -4.917) 7.817 0.575 ( -3.981 4.592 4.917) 7.817 0.816 ( -2.522 4.375 -7.973) 9.438 0.816 ( -2.522 4.375 7.973) 9.438 1.102 ( -6.386 1.759 -3.853) 7.663 1.102 ( -6.386 1.759 3.853) 7.663 1.397 ( -0.736 -1.249 -6.833) 6.985 1.397 ( -0.736 -1.249 6.833) 6.985 1.446 ( -3.219 -0.714 -2.810) 4.332 1.446 ( -3.219 -0.714 2.810) 4.332 1.484 ( 1.429 -0.452 -3.738) 4.027 1.484 ( 1.429 -0.452 3.738) 4.027 1.607 ( -10.741 -0.607 -1.267) 10.832 1.607 ( -10.741 -0.607 1.267) 10.832 1.852 ( -0.259 -3.157 -2.992) 4.357 1.852 ( -0.259 -3.157 2.992) 4.357 2.640 ( 0.520 2.727 -14.950) 15.205 2.640 ( 0.520 2.727 14.950) 15.205 3.389 ( -3.216 -0.024 -0.637) 3.278 3.389 ( -3.216 -0.024 0.637) 3.278 3.710 ( 0.961 0.777 -3.679) 3.881 3.710 ( 0.961 0.777 3.679) 3.881 3.739 ( -2.415 0.252 -0.717) 2.532 3.739 ( -2.415 0.252 0.717) 2.532 3.901 ( -2.446 0.498 -0.553) 2.557 3.901 ( -2.446 0.498 0.553) 2.557 4.274 ( -0.542 -1.573 -6.243) 6.461 4.274 ( -0.542 -1.573 6.243) 6.461 4.529 ( 0.703 1.154 -4.400) 4.603 4.529 ( 0.703 1.154 4.400) 4.603 4.957 ( -1.134 -4.976 -3.987) 6.476 4.957 ( -1.134 -4.976 3.987) 6.476 5.225 ( 2.881 -0.684 -3.104) 4.289 5.225 ( 2.881 -0.684 3.104) 4.289 5.618 ( 3.054 1.032 -1.998) 3.793 5.618 ( 3.054 1.032 1.998) 3.793 ======================= Grid point 372 (113/129) ======================= q-point: (-0.17 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -0.000 7.098 -6.479) 9.610 0.505 ( -0.000 7.098 6.479) 9.610 0.762 ( -0.000 4.927 -12.010) 12.982 0.762 ( -0.000 4.927 12.010) 12.982 1.016 ( -0.000 1.905 -6.688) 6.954 1.016 ( -0.000 1.905 6.688) 6.954 1.405 ( 0.000 -0.014 -11.536) 11.536 1.405 ( 0.000 -0.014 11.536) 11.536 1.405 ( 0.000 -1.819 -0.151) 1.825 1.405 ( 0.000 -1.819 0.151) 1.825 1.501 ( 0.000 -0.733 -1.450) 1.625 1.501 ( 0.000 -0.733 1.450) 1.625 1.515 ( 0.000 -0.717 -3.816) 3.882 1.515 ( 0.000 -0.717 3.816) 3.882 1.873 ( 0.000 -3.876 -2.916) 4.850 1.873 ( 0.000 -3.876 2.916) 4.850 2.630 ( -0.000 2.898 -14.951) 15.230 2.630 ( -0.000 2.898 14.951) 15.230 3.354 ( 0.000 -0.007 -1.256) 1.256 3.354 ( 0.000 -0.007 1.256) 1.256 3.691 ( -0.000 0.160 -0.051) 0.168 3.691 ( -0.000 0.160 0.051) 0.168 3.739 ( -0.000 0.569 -4.713) 4.747 3.739 ( -0.000 0.569 4.713) 4.747 3.868 ( -0.000 0.327 -0.294) 0.439 3.868 ( -0.000 0.327 0.294) 0.439 4.275 ( 0.000 -1.276 -6.564) 6.687 4.275 ( 0.000 -1.276 6.564) 6.687 4.531 ( -0.000 1.039 -5.855) 5.947 4.531 ( -0.000 1.039 5.855) 5.947 4.975 ( 0.000 -5.138 -3.953) 6.483 4.975 ( 0.000 -5.138 3.953) 6.483 5.259 ( 0.000 -1.197 -2.275) 2.570 5.259 ( 0.000 -1.197 2.275) 2.570 5.643 ( -0.000 1.432 -2.977) 3.304 5.643 ( -0.000 1.432 2.977) 3.304 ======================= Grid point 382 (114/129) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.967 ( -0.083 -0.000 -0.650) 0.655 0.967 ( -0.083 -0.000 0.650) 0.655 1.110 ( -2.727 -0.000 -0.900) 2.871 1.110 ( -2.727 -0.000 0.900) 2.871 1.284 ( -4.879 -0.000 -5.580) 7.412 1.284 ( -4.879 -0.000 5.580) 7.412 1.528 ( -0.389 -0.000 -3.718) 3.738 1.528 ( -0.389 -0.000 3.718) 3.738 1.569 ( 0.347 0.000 -1.752) 1.786 1.569 ( 0.347 0.000 1.752) 1.786 1.736 ( 3.243 0.000 -0.538) 3.288 1.736 ( 3.243 0.000 0.538) 3.288 1.879 ( 2.953 0.000 -0.864) 3.077 1.879 ( 2.953 0.000 0.864) 3.077 2.591 ( -0.919 -0.000 -17.849) 17.873 2.591 ( -0.919 -0.000 17.849) 17.873 2.748 ( 0.332 0.000 -1.453) 1.490 2.748 ( 0.332 0.000 1.453) 1.490 3.230 ( -0.549 -0.000 -5.455) 5.483 3.230 ( -0.549 -0.000 5.455) 5.483 3.851 ( -0.206 -0.000 -2.272) 2.281 3.851 ( -0.206 -0.000 2.272) 2.281 3.896 ( -0.505 -0.000 -1.769) 1.840 3.896 ( -0.505 -0.000 1.769) 1.840 4.078 ( 0.171 0.000 -2.557) 2.563 4.078 ( 0.171 0.000 2.557) 2.563 4.414 ( -1.336 -0.000 -1.200) 1.796 4.414 ( -1.336 -0.000 1.200) 1.796 4.442 ( 1.316 0.000 -9.561) 9.651 4.442 ( 1.316 0.000 9.561) 9.651 4.821 ( -0.380 -0.000 -6.855) 6.865 4.821 ( -0.380 -0.000 6.855) 6.865 4.943 ( 0.209 0.000 -2.212) 2.221 4.943 ( 0.209 0.000 2.212) 2.221 5.503 ( -1.164 -0.000 -3.646) 3.827 5.503 ( -1.164 -0.000 3.646) 3.827 ======================= Grid point 384 (115/129) ======================= q-point: (-0.67 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( -1.117 -0.067 -0.221) 1.141 0.962 ( -1.117 -0.067 0.221) 1.141 1.058 ( -2.319 -0.216 -0.462) 2.375 1.058 ( -2.319 -0.216 0.462) 2.375 1.194 ( -4.284 -1.189 -5.475) 7.053 1.194 ( -4.284 -1.189 5.475) 7.053 1.512 ( -1.380 -0.048 -2.141) 2.547 1.512 ( -1.380 -0.048 2.141) 2.547 1.556 ( -1.751 -0.021 -1.667) 2.417 1.556 ( -1.751 -0.021 1.667) 2.417 1.787 ( 2.033 0.679 -1.007) 2.368 1.787 ( 2.033 0.679 1.007) 2.368 1.918 ( 0.822 0.522 -0.486) 1.088 1.918 ( 0.822 0.522 0.486) 1.088 2.585 ( 0.298 -0.187 -17.221) 17.225 2.585 ( 0.298 -0.187 17.221) 17.225 2.712 ( -4.375 0.077 -1.869) 4.758 2.712 ( -4.375 0.077 1.869) 4.758 3.254 ( 3.090 -0.120 -5.607) 6.403 3.254 ( 3.090 -0.120 5.607) 6.403 3.840 ( -1.075 0.034 -1.888) 2.173 3.840 ( -1.075 0.034 1.888) 2.173 3.846 ( -4.192 -0.164 -2.922) 5.112 3.846 ( -4.192 -0.164 2.922) 5.112 4.052 ( -2.388 0.030 -1.186) 2.666 4.052 ( -2.388 0.030 1.186) 2.666 4.370 ( -2.501 -0.121 -3.459) 4.270 4.370 ( -2.501 -0.121 3.459) 4.270 4.479 ( 1.823 0.103 -2.722) 3.278 4.479 ( 1.823 0.103 2.722) 3.278 4.853 ( 3.232 -0.090 -5.004) 5.958 4.853 ( 3.232 -0.090 5.004) 5.958 4.961 ( 1.644 0.056 -1.251) 2.067 4.961 ( 1.644 0.056 1.251) 2.067 5.481 ( -1.143 -0.276 -3.338) 3.539 5.481 ( -1.143 -0.276 3.338) 3.539 ======================= Grid point 386 (116/129) ======================= q-point: (-0.58 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( -4.148 -1.381 -1.933) 4.780 0.914 ( -4.148 -1.381 1.933) 4.780 1.015 ( -2.949 -0.338 -0.838) 3.085 1.015 ( -2.949 -0.338 0.838) 3.085 1.158 ( -0.375 -1.944 -3.455) 3.982 1.158 ( -0.375 -1.944 3.455) 3.982 1.478 ( -2.075 -0.180 -1.255) 2.432 1.478 ( -2.075 -0.180 1.255) 2.432 1.509 ( -2.958 -0.183 -0.277) 2.977 1.509 ( -2.958 -0.183 0.277) 2.977 1.801 ( -0.254 1.123 -1.336) 1.764 1.801 ( -0.254 1.123 1.336) 1.764 1.895 ( -2.514 1.568 -0.116) 2.965 1.895 ( -2.514 1.568 0.116) 2.965 2.546 ( -10.113 0.181 -4.424) 11.040 2.546 ( -10.113 0.181 4.424) 11.040 2.620 ( -0.135 -0.115 -14.147) 14.148 2.620 ( -0.135 -0.115 14.147) 14.148 3.342 ( 5.530 -0.286 -5.493) 7.800 3.342 ( 5.530 -0.286 5.493) 7.800 3.758 ( -4.137 -0.035 -3.503) 5.421 3.758 ( -4.137 -0.035 3.503) 5.421 3.823 ( -0.807 -0.074 -0.928) 1.232 3.823 ( -0.807 -0.074 0.928) 1.232 4.005 ( -2.236 0.020 -0.209) 2.246 4.005 ( -2.236 0.020 0.209) 2.246 4.327 ( -2.230 -0.336 -1.668) 2.805 4.327 ( -2.230 -0.336 1.668) 2.805 4.507 ( 1.203 0.230 -1.249) 1.749 4.507 ( 1.203 0.230 1.249) 1.749 4.923 ( 3.394 -0.363 -1.709) 3.817 4.923 ( 3.394 -0.363 1.709) 3.817 5.000 ( 2.511 0.153 -2.553) 3.584 5.000 ( 2.511 0.153 2.553) 3.584 5.467 ( -0.507 -0.922 -2.332) 2.559 5.467 ( -0.507 -0.922 2.332) 2.559 ======================= Grid point 388 (117/129) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -6.100 -1.421 -3.756) 7.304 0.823 ( -6.100 -1.421 3.756) 7.304 0.960 ( -2.464 0.682 -2.362) 3.480 0.960 ( -2.464 0.682 2.362) 3.480 1.172 ( -0.300 -3.347 -0.945) 3.490 1.172 ( -0.300 -3.347 0.945) 3.490 1.443 ( -1.687 -0.415 -4.408) 4.738 1.443 ( -1.687 -0.415 4.408) 4.738 1.460 ( -1.964 -0.400 -1.856) 2.732 1.460 ( -1.964 -0.400 1.856) 2.732 1.739 ( -5.510 3.702 -1.896) 6.904 1.739 ( -5.510 3.702 1.896) 6.903 1.835 ( -2.604 -0.373 -2.222) 3.444 1.835 ( -2.604 -0.373 2.222) 3.444 2.268 ( -17.494 0.145 -2.308) 17.646 2.268 ( -17.494 0.145 2.308) 17.646 2.639 ( 1.334 0.539 -15.505) 15.572 2.639 ( 1.334 0.539 15.505) 15.572 3.434 ( 3.153 -0.282 -4.232) 5.284 3.434 ( 3.153 -0.282 4.232) 5.284 3.700 ( -1.926 0.159 -3.587) 4.075 3.700 ( -1.926 0.159 3.587) 4.075 3.819 ( 0.431 0.404 -1.285) 1.415 3.819 ( 0.431 0.404 1.285) 1.415 3.970 ( -1.457 0.005 -0.408) 1.513 3.970 ( -1.457 0.005 0.408) 1.513 4.289 ( -1.956 -0.651 -1.405) 2.495 4.289 ( -1.956 -0.651 1.405) 2.495 4.523 ( 0.755 0.458 -1.038) 1.363 4.523 ( 0.755 0.458 1.038) 1.363 4.956 ( -0.644 -1.210 -1.601) 2.107 4.956 ( -0.644 -1.210 1.601) 2.107 5.063 ( 4.270 0.009 -6.098) 7.445 5.063 ( 4.270 0.009 6.098) 7.445 5.484 ( 2.021 -1.073 -1.001) 2.498 5.484 ( 2.021 -1.073 1.001) 2.498 ======================= Grid point 390 (118/129) ======================= q-point: (-0.42 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( -5.305 1.206 -3.198) 6.311 0.711 ( -5.305 1.206 3.198) 6.311 0.912 ( -1.834 2.318 -3.481) 4.567 0.912 ( -1.834 2.318 3.481) 4.567 1.170 ( -1.997 -3.642 -1.698) 4.487 1.170 ( -1.997 -3.642 1.698) 4.487 1.412 ( -1.855 -0.519 -6.147) 6.442 1.412 ( -1.855 -0.519 6.147) 6.442 1.451 ( 0.510 -0.553 -3.195) 3.283 1.451 ( 0.510 -0.553 3.195) 3.283 1.581 ( -7.816 3.884 -1.174) 8.806 1.581 ( -7.816 3.884 1.174) 8.806 1.786 ( -4.584 -1.768 -2.046) 5.323 1.786 ( -4.584 -1.768 2.046) 5.323 1.932 ( -15.477 -0.362 -0.840) 15.504 1.932 ( -15.477 -0.362 0.840) 15.504 2.659 ( 1.245 1.533 -15.163) 15.291 2.659 ( 1.245 1.533 15.163) 15.291 3.445 ( -1.955 -0.158 -1.746) 2.626 3.445 ( -1.955 -0.158 1.746) 2.626 3.688 ( 0.817 0.162 -4.020) 4.106 3.688 ( 0.817 0.162 4.020) 4.106 3.808 ( -1.860 1.099 -0.861) 2.326 3.808 ( -1.860 1.099 0.861) 2.326 3.946 ( -1.320 0.263 -0.244) 1.368 3.946 ( -1.320 0.263 0.244) 1.368 4.264 ( -1.132 -1.192 -4.709) 4.988 4.264 ( -1.132 -1.192 4.709) 4.988 4.532 ( 0.559 0.713 -1.637) 1.871 4.532 ( 0.559 0.713 1.637) 1.871 4.929 ( -2.703 -3.028 -3.475) 5.343 4.929 ( -2.703 -3.028 3.475) 5.343 5.149 ( 4.336 -0.147 -5.163) 6.744 5.149 ( 4.336 -0.147 5.163) 6.744 5.552 ( 4.371 -0.092 -0.613) 4.415 5.552 ( 4.371 -0.092 0.613) 4.415 ======================= Grid point 392 (119/129) ======================= q-point: (-0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( -1.870 4.558 -1.876) 5.272 0.625 ( -1.870 4.558 1.876) 5.272 0.865 ( -1.178 4.757 -6.462) 8.110 0.865 ( -1.178 4.757 6.462) 8.110 1.116 ( -4.849 0.662 -2.814) 5.646 1.116 ( -4.849 0.662 2.814) 5.646 1.381 ( -1.460 -1.484 -5.494) 5.875 1.381 ( -1.460 -1.484 5.494) 5.875 1.442 ( -3.783 0.089 -4.614) 5.967 1.442 ( -3.783 0.089 4.614) 5.967 1.479 ( 0.753 -0.432 -4.684) 4.763 1.479 ( 0.753 -0.432 4.684) 4.763 1.601 ( -10.360 -0.350 -1.001) 10.414 1.601 ( -10.360 -0.350 1.001) 10.414 1.817 ( -1.453 -3.403 -3.386) 5.016 1.817 ( -1.453 -3.403 3.386) 5.016 2.669 ( 0.845 2.476 -14.974) 15.201 2.669 ( 0.845 2.476 14.974) 15.201 3.389 ( -3.196 -0.052 -0.641) 3.260 3.389 ( -3.196 -0.052 0.641) 3.260 3.716 ( 1.305 0.398 -3.562) 3.814 3.716 ( 1.305 0.398 3.562) 3.814 3.744 ( -2.913 0.727 -0.758) 3.097 3.744 ( -2.913 0.727 0.758) 3.096 3.907 ( -2.465 0.561 -0.501) 2.577 3.907 ( -2.465 0.561 0.501) 2.577 4.257 ( -0.509 -1.566 -6.282) 6.494 4.257 ( -0.509 -1.566 6.282) 6.494 4.539 ( 0.574 0.789 -5.459) 5.545 4.539 ( 0.574 0.789 5.459) 5.545 4.905 ( -1.632 -4.570 -5.016) 6.979 4.905 ( -1.632 -4.570 5.016) 6.979 5.220 ( 2.784 -0.295 -4.301) 5.132 5.220 ( 2.784 -0.295 4.301) 5.132 5.630 ( 3.590 1.081 -1.717) 4.124 5.630 ( 3.590 1.081 1.717) 4.124 ======================= Grid point 394 (120/129) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.581 ( -0.000 6.953 -2.630) 7.434 0.581 ( -0.000 6.953 2.630) 7.434 0.821 ( -0.000 6.008 -10.756) 12.320 0.821 ( -0.000 6.008 10.756) 12.320 1.040 ( -0.000 2.548 -4.768) 5.407 1.040 ( -0.000 2.548 4.768) 5.407 1.380 ( 0.000 -2.854 -0.248) 2.865 1.380 ( 0.000 -2.854 0.248) 2.865 1.405 ( 0.000 -0.000 -11.095) 11.095 1.405 ( 0.000 -0.000 11.095) 11.095 1.494 ( 0.000 -0.587 -1.557) 1.664 1.494 ( 0.000 -0.587 1.557) 1.664 1.506 ( 0.000 -0.809 -4.844) 4.911 1.506 ( 0.000 -0.809 4.844) 4.911 1.828 ( 0.000 -4.421 -3.570) 5.682 1.828 ( 0.000 -4.421 3.570) 5.682 2.662 ( -0.000 2.986 -14.943) 15.238 2.662 ( -0.000 2.986 14.943) 15.238 3.353 ( 0.000 -0.007 -1.322) 1.322 3.353 ( 0.000 -0.007 1.322) 1.322 3.693 ( -0.000 0.186 -0.049) 0.193 3.693 ( -0.000 0.186 0.049) 0.193 3.747 ( -0.000 0.886 -4.720) 4.802 3.747 ( -0.000 0.886 4.720) 4.802 3.872 ( -0.000 0.374 -0.292) 0.474 3.872 ( -0.000 0.374 0.292) 0.474 4.260 ( 0.000 -1.543 -6.443) 6.625 4.260 ( 0.000 -1.543 6.443) 6.625 4.541 ( -0.000 0.850 -7.093) 7.144 4.541 ( -0.000 0.850 7.093) 7.144 4.917 ( 0.000 -5.392 -5.307) 7.565 4.917 ( 0.000 -5.392 5.307) 7.565 5.250 ( 0.000 -0.562 -3.786) 3.828 5.250 ( 0.000 -0.562 3.786) 3.828 5.659 ( -0.000 1.558 -2.667) 3.089 5.659 ( -0.000 1.558 2.667) 3.089 ======================= Grid point 408 (121/129) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( -4.425 -0.000 -2.074) 4.887 0.906 ( -4.425 -0.000 2.074) 4.887 1.013 ( -2.620 -0.000 -0.628) 2.694 1.013 ( -2.620 -0.000 0.628) 2.694 1.147 ( -0.435 -0.000 -3.533) 3.560 1.147 ( -0.435 -0.000 3.533) 3.560 1.477 ( -2.114 -0.000 -1.331) 2.498 1.477 ( -2.114 -0.000 1.331) 2.498 1.508 ( -2.995 -0.000 -0.255) 3.005 1.508 ( -2.995 -0.000 0.255) 3.005 1.807 ( -0.078 -0.000 -1.226) 1.229 1.807 ( -0.078 -0.000 1.226) 1.229 1.903 ( -2.721 -0.000 -0.144) 2.725 1.903 ( -2.721 -0.000 0.144) 2.725 2.547 ( -10.045 -0.000 -4.352) 10.947 2.547 ( -10.045 -0.000 4.352) 10.947 2.619 ( -0.078 -0.000 -14.150) 14.151 2.619 ( -0.078 -0.000 14.150) 14.151 3.340 ( 5.545 0.000 -5.490) 7.803 3.340 ( 5.545 0.000 5.490) 7.803 3.758 ( -4.089 -0.000 -3.498) 5.381 3.758 ( -4.089 -0.000 3.498) 5.381 3.822 ( -0.757 -0.000 -0.910) 1.184 3.822 ( -0.757 -0.000 0.910) 1.184 4.005 ( -2.249 -0.000 -0.155) 2.255 4.005 ( -2.249 -0.000 0.155) 2.255 4.325 ( -2.257 -0.000 -1.619) 2.777 4.325 ( -2.257 -0.000 1.619) 2.777 4.508 ( 1.218 0.000 -1.218) 1.723 4.508 ( 1.218 0.000 1.218) 1.723 4.921 ( 3.320 0.000 -1.576) 3.675 4.921 ( 3.320 0.000 1.576) 3.675 5.001 ( 2.493 0.000 -2.359) 3.432 5.001 ( 2.493 0.000 2.359) 3.433 5.462 ( -0.560 -0.000 -2.262) 2.331 5.462 ( -0.560 -0.000 2.262) 2.331 ======================= Grid point 412 (122/129) ======================= q-point: (-0.58 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -5.189 -0.437 -3.451) 6.247 0.813 ( -5.189 -0.437 3.451) 6.247 0.965 ( -2.048 0.279 -1.291) 2.437 0.965 ( -2.048 0.279 1.291) 2.437 1.147 ( -0.706 -1.313 -0.736) 1.662 1.147 ( -0.706 -1.313 0.736) 1.662 1.440 ( -1.725 -0.167 -4.782) 5.087 1.440 ( -1.725 -0.167 4.782) 5.087 1.457 ( -1.961 -0.108 -1.829) 2.684 1.457 ( -1.961 -0.108 1.829) 2.684 1.770 ( -4.439 1.890 -2.258) 5.327 1.770 ( -4.439 1.890 2.258) 5.327 1.828 ( -4.025 -0.709 -1.918) 4.514 1.828 ( -4.025 -0.709 1.918) 4.514 2.269 ( -17.599 0.050 -2.161) 17.731 2.269 ( -17.599 0.050 2.161) 17.731 2.643 ( 1.630 0.201 -15.522) 15.608 2.643 ( 1.630 0.201 15.522) 15.608 3.432 ( 3.197 -0.107 -4.213) 5.290 3.432 ( 3.197 -0.107 4.213) 5.290 3.701 ( -1.897 0.057 -3.503) 3.984 3.701 ( -1.897 0.057 3.503) 3.984 3.822 ( 0.736 0.154 -1.190) 1.408 3.822 ( 0.736 0.154 1.190) 1.408 3.970 ( -1.445 -0.000 -0.324) 1.481 3.970 ( -1.445 -0.000 0.324) 1.481 4.284 ( -2.047 -0.232 -1.360) 2.468 4.284 ( -2.047 -0.232 1.360) 2.468 4.527 ( 0.796 0.151 -0.833) 1.162 4.527 ( 0.796 0.151 0.833) 1.162 4.947 ( -1.093 -0.451 -0.769) 1.411 4.947 ( -1.093 -0.451 0.769) 1.411 5.064 ( 4.193 0.005 -6.234) 7.513 5.064 ( 4.193 0.005 6.234) 7.513 5.476 ( 2.335 -0.375 -0.689) 2.463 5.476 ( 2.335 -0.375 0.689) 2.463 ======================= Grid point 414 (123/129) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 218 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( -3.873 0.972 -1.863) 4.406 0.723 ( -3.873 0.972 1.863) 4.406 0.936 ( -0.513 2.008 -3.071) 3.705 0.936 ( -0.513 2.008 3.071) 3.705 1.132 ( -1.785 -3.222 -1.836) 4.116 1.132 ( -1.785 -3.222 1.836) 4.116 1.407 ( -1.819 -0.296 -6.189) 6.457 1.407 ( -1.819 -0.296 6.189) 6.457 1.447 ( 0.533 -0.219 -2.246) 2.319 1.447 ( 0.533 -0.219 2.246) 2.319 1.620 ( -8.706 3.078 -1.136) 9.304 1.620 ( -8.706 3.078 1.136) 9.304 1.768 ( -4.398 -1.546 -1.612) 4.933 1.768 ( -4.398 -1.546 1.612) 4.933 1.928 ( -16.321 -0.350 -0.974) 16.354 1.928 ( -16.321 -0.350 0.974) 16.354 2.672 ( 1.572 0.855 -15.185) 15.290 2.672 ( 1.572 0.855 15.185) 15.290 3.444 ( -1.882 -0.113 -1.743) 2.567 3.444 ( -1.882 -0.113 1.743) 2.567 3.689 ( 0.800 0.085 -3.841) 3.924 3.689 ( 0.800 0.085 3.841) 3.924 3.818 ( -1.843 0.680 -0.591) 2.051 3.818 ( -1.843 0.680 0.591) 2.051 3.948 ( -1.106 0.150 -0.128) 1.123 3.948 ( -1.106 0.150 0.128) 1.123 4.254 ( -1.309 -0.671 -4.772) 4.993 4.254 ( -1.309 -0.671 4.772) 4.993 4.538 ( 0.522 0.311 -1.642) 1.751 4.538 ( 0.522 0.311 1.642) 1.751 4.903 ( -3.274 -1.712 -4.032) 5.468 4.903 ( -3.274 -1.712 4.032) 5.468 5.148 ( 4.315 -0.063 -5.583) 7.057 5.148 ( 4.315 -0.063 5.583) 7.057 5.551 ( 4.977 0.008 -0.364) 4.991 5.551 ( 4.977 0.008 0.364) 4.991 ======================= Grid point 416 (124/129) ======================= q-point: (-0.42 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -0.706 3.201 -0.937) 3.409 0.667 ( -0.706 3.201 0.937) 3.409 0.916 ( -0.000 4.707 -5.732) 7.417 0.916 ( -0.000 4.707 5.732) 7.417 1.112 ( -2.249 -1.436 -2.206) 3.462 1.112 ( -2.249 -1.436 2.206) 3.462 1.370 ( -2.616 -0.634 -5.314) 5.956 1.370 ( -2.616 -0.634 5.314) 5.956 1.445 ( -4.153 0.360 -5.251) 6.704 1.445 ( -4.153 0.360 5.251) 6.704 1.475 ( -0.688 -0.230 -4.692) 4.747 1.475 ( -0.688 -0.230 4.692) 4.747 1.599 ( -9.989 0.004 -0.741) 10.017 1.599 ( -9.989 0.004 0.741) 10.017 1.783 ( -2.257 -2.842 -3.409) 4.979 1.783 ( -2.257 -2.842 3.409) 4.979 2.691 ( 1.074 1.681 -14.985) 15.117 2.691 ( 1.074 1.681 14.985) 15.117 3.388 ( -3.158 -0.055 -0.630) 3.221 3.388 ( -3.158 -0.055 0.630) 3.221 3.719 ( 1.240 0.139 -2.916) 3.172 3.719 ( 1.240 0.139 2.916) 3.172 3.753 ( -2.935 0.739 -1.577) 3.413 3.753 ( -2.935 0.739 1.577) 3.413 3.912 ( -2.493 0.454 -0.468) 2.577 3.912 ( -2.493 0.454 0.468) 2.577 4.242 ( -0.553 -1.183 -6.487) 6.617 4.242 ( -0.553 -1.183 6.487) 6.617 4.545 ( 0.450 0.338 -6.550) 6.574 4.545 ( 0.450 0.338 6.550) 6.574 4.865 ( -1.799 -2.954 -5.329) 6.353 4.865 ( -1.799 -2.954 5.329) 6.353 5.218 ( 2.774 -0.104 -4.926) 5.654 5.218 ( 2.774 -0.104 4.926) 5.654 5.640 ( 3.982 0.822 -1.407) 4.303 5.640 ( 3.982 0.822 1.407) 4.303 ======================= Grid point 418 (125/129) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 121 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -0.000 5.092 -2.125) 5.518 0.646 ( -0.000 5.092 2.125) 5.518 0.884 ( -0.000 5.773 -9.649) 11.244 0.884 ( -0.000 5.773 9.649) 11.244 1.069 ( -0.000 2.792 -2.787) 3.944 1.069 ( -0.000 2.792 2.787) 3.944 1.347 ( 0.000 -3.335 -0.429) 3.362 1.347 ( 0.000 -3.335 0.429) 3.362 1.405 ( 0.000 -0.036 -10.717) 10.717 1.405 ( 0.000 -0.036 10.717) 10.717 1.489 ( 0.000 -0.345 -1.733) 1.767 1.489 ( 0.000 -0.345 1.733) 1.767 1.498 ( 0.000 -0.720 -5.008) 5.060 1.498 ( 0.000 -0.720 5.008) 5.060 1.783 ( 0.000 -3.899 -3.855) 5.483 1.783 ( 0.000 -3.899 3.855) 5.483 2.691 ( -0.000 2.335 -14.929) 15.110 2.691 ( -0.000 2.335 14.929) 15.110 3.353 ( 0.000 -0.005 -1.387) 1.387 3.353 ( 0.000 -0.005 1.387) 1.387 3.695 ( -0.000 0.162 -0.045) 0.169 3.695 ( -0.000 0.162 0.045) 0.169 3.757 ( -0.000 0.949 -4.812) 4.904 3.757 ( -0.000 0.949 4.812) 4.904 3.876 ( -0.000 0.321 -0.288) 0.431 3.876 ( -0.000 0.321 0.288) 0.431 4.243 ( 0.000 -1.444 -6.606) 6.762 4.243 ( 0.000 -1.444 6.606) 6.762 4.548 ( -0.000 0.414 -8.686) 8.695 4.548 ( -0.000 0.414 8.686) 8.695 4.867 ( 0.000 -3.926 -5.536) 6.787 4.867 ( 0.000 -3.926 5.536) 6.787 5.246 ( 0.000 -0.185 -4.631) 4.635 5.246 ( 0.000 -0.185 4.631) 4.635 5.675 ( -0.000 1.324 -2.253) 2.614 5.675 ( -0.000 1.324 2.253) 2.614 ======================= Grid point 436 (126/129) ======================= q-point: (-0.58 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( -3.390 -0.000 -1.292) 3.628 0.729 ( -3.390 -0.000 1.292) 3.628 0.948 ( 0.266 0.000 -2.701) 2.714 0.948 ( 0.266 0.000 2.701) 2.714 1.112 ( -2.041 -0.000 -1.809) 2.728 1.112 ( -2.041 -0.000 1.809) 2.728 1.405 ( -1.773 -0.000 -6.254) 6.500 1.405 ( -1.773 -0.000 6.254) 6.500 1.446 ( 0.518 0.000 -1.819) 1.892 1.446 ( 0.518 0.000 1.819) 1.892 1.638 ( -9.192 -0.000 -0.903) 9.236 1.638 ( -9.192 -0.000 0.903) 9.236 1.758 ( -4.055 -0.000 -1.304) 4.259 1.758 ( -4.055 -0.000 1.304) 4.259 1.926 ( -16.678 -0.000 -1.061) 16.712 1.926 ( -16.678 -0.000 1.061) 16.712 2.676 ( 1.682 0.000 -15.191) 15.284 2.676 ( 1.682 0.000 15.191) 15.284 3.443 ( -1.855 -0.000 -1.739) 2.543 3.443 ( -1.855 -0.000 1.739) 2.543 3.690 ( 0.791 0.000 -3.769) 3.851 3.690 ( 0.791 0.000 3.769) 3.851 3.822 ( -1.837 -0.000 -0.476) 1.898 3.822 ( -1.837 -0.000 0.476) 1.898 3.949 ( -1.020 -0.000 -0.029) 1.020 3.949 ( -1.020 -0.000 0.029) 1.020 4.250 ( -1.380 -0.000 -4.819) 5.013 4.250 ( -1.380 -0.000 4.819) 5.013 4.539 ( 0.496 0.000 -1.627) 1.701 4.539 ( 0.496 0.000 1.627) 1.701 4.894 ( -3.449 -0.000 -4.240) 5.466 4.894 ( -3.449 -0.000 4.240) 5.466 5.147 ( 4.310 0.000 -5.716) 7.159 5.147 ( 4.310 0.000 5.716) 7.159 5.551 ( 5.193 0.000 -0.211) 5.198 5.551 ( 5.193 0.000 0.211) 5.198 ======================= Grid point 440 (127/129) ======================= q-point: (-0.50 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( -0.290 1.117 -2.559) 2.807 0.690 ( -0.290 1.117 2.559) 2.807 0.958 ( 0.554 2.661 -5.851) 6.452 0.958 ( 0.554 2.661 5.851) 6.452 1.092 ( -0.219 -1.651 -1.971) 2.581 1.092 ( -0.219 -1.651 1.971) 2.581 1.367 ( -3.144 -0.047 -5.331) 6.189 1.367 ( -3.144 -0.047 5.331) 6.189 1.448 ( -3.810 0.140 -5.317) 6.542 1.448 ( -3.810 0.140 5.317) 6.542 1.474 ( -2.655 -0.017 -3.882) 4.703 1.474 ( -2.655 -0.017 3.882) 4.703 1.600 ( -9.791 0.099 -0.527) 9.806 1.600 ( -9.791 0.099 0.527) 9.806 1.761 ( -2.541 -1.174 -3.192) 4.245 1.761 ( -2.541 -1.174 3.192) 4.245 2.703 ( 1.188 0.591 -14.987) 15.046 2.703 ( 1.188 0.591 14.987) 15.046 3.388 ( -3.128 -0.024 -0.617) 3.188 3.388 ( -3.128 -0.024 0.617) 3.188 3.720 ( 1.148 0.037 -2.528) 2.777 3.720 ( 1.148 0.037 2.528) 2.777 3.759 ( -2.880 0.294 -2.063) 3.554 3.759 ( -2.880 0.294 2.063) 3.554 3.916 ( -2.512 0.175 -0.459) 2.559 3.916 ( -2.512 0.175 0.459) 2.559 4.233 ( -0.607 -0.446 -6.665) 6.707 4.233 ( -0.607 -0.446 6.665) 6.707 4.547 ( 0.370 0.070 -7.248) 7.257 4.547 ( 0.370 0.070 7.248) 7.257 4.844 ( -1.789 -0.985 -5.267) 5.649 4.844 ( -1.789 -0.985 5.267) 5.649 5.217 ( 2.782 -0.025 -5.189) 5.888 5.217 ( 2.782 -0.025 5.189) 5.888 5.646 ( 4.188 0.307 -1.206) 4.369 5.646 ( 4.188 0.307 1.206) 4.369 ======================= Grid point 442 (128/129) ======================= q-point: (-0.42 0.42 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.000 2.541 -4.117) 4.838 0.687 ( -0.000 2.541 4.117) 4.838 0.937 ( -0.000 3.815 -8.962) 9.741 0.937 ( -0.000 3.815 8.962) 9.741 1.096 ( -0.000 2.038 -1.784) 2.709 1.096 ( -0.000 2.038 1.784) 2.709 1.314 ( 0.000 -2.504 -0.553) 2.565 1.314 ( 0.000 -2.504 0.553) 2.565 1.404 ( 0.000 -0.083 -10.308) 10.309 1.404 ( 0.000 -0.083 10.308) 10.309 1.487 ( 0.000 -0.151 -1.847) 1.854 1.487 ( 0.000 -0.151 1.847) 1.854 1.492 ( 0.000 -0.475 -3.909) 3.937 1.492 ( 0.000 -0.475 3.909) 3.937 1.749 ( 0.000 -2.308 -3.669) 4.334 1.749 ( 0.000 -2.308 3.669) 4.334 2.710 ( -0.000 1.259 -14.913) 14.966 2.710 ( -0.000 1.259 14.913) 14.966 3.353 ( 0.000 -0.003 -1.434) 1.434 3.353 ( 0.000 -0.003 1.434) 1.434 3.696 ( -0.000 0.094 -0.041) 0.103 3.696 ( -0.000 0.094 0.041) 0.103 3.766 ( -0.000 0.619 -4.926) 4.965 3.766 ( -0.000 0.619 4.926) 4.965 3.878 ( -0.000 0.184 -0.284) 0.339 3.878 ( -0.000 0.184 0.284) 0.339 4.231 ( 0.000 -0.894 -6.836) 6.894 4.231 ( 0.000 -0.894 6.836) 6.894 4.551 ( -0.000 0.094 -9.986) 9.987 4.551 ( -0.000 0.094 9.986) 9.987 4.836 ( 0.000 -1.913 -5.095) 5.443 4.836 ( 0.000 -1.913 5.095) 5.443 5.245 ( 0.000 -0.047 -5.016) 5.016 5.245 ( 0.000 -0.047 5.016) 5.016 5.686 ( -0.000 0.764 -1.926) 2.071 5.686 ( -0.000 0.764 1.926) 2.071 ======================= Grid point 466 (129/129) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 0.00e+00 0.00e+00 4.65e-08 4.65e-08 6.53e-05 6.53e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -0.000 0.000 -4.875) 4.875 0.700 ( -0.000 0.000 4.875) 4.875 0.958 ( -0.000 0.000 -8.762) 8.762 0.958 ( -0.000 0.000 8.762) 8.762 1.107 ( -0.000 0.000 -1.651) 1.651 1.107 ( -0.000 0.000 1.651) 1.651 1.300 ( -0.000 0.000 -0.626) 0.626 1.300 ( -0.000 0.000 0.626) 0.626 1.403 ( -0.000 0.000 -10.054) 10.054 1.403 ( -0.000 0.000 10.054) 10.054 1.486 ( -0.000 0.000 -1.884) 1.884 1.486 ( -0.000 0.000 1.884) 1.884 1.489 ( -0.000 0.000 -2.486) 2.486 1.489 ( -0.000 0.000 2.486) 2.486 1.737 ( -0.000 0.000 -3.476) 3.476 1.737 ( -0.000 0.000 3.476) 3.476 2.717 ( -0.000 0.000 -14.906) 14.906 2.717 ( -0.000 0.000 14.906) 14.906 3.353 ( -0.000 0.000 -1.451) 1.451 3.353 ( -0.000 0.000 1.451) 1.451 3.697 ( -0.000 0.000 -0.040) 0.040 3.697 ( -0.000 0.000 0.040) 0.040 3.769 ( -0.000 0.000 -4.976) 4.976 3.769 ( -0.000 0.000 4.976) 4.976 3.879 ( -0.000 0.000 -0.282) 0.282 3.879 ( -0.000 0.000 0.282) 0.282 4.226 ( -0.000 0.000 -6.935) 6.935 4.226 ( -0.000 0.000 6.935) 6.935 4.551 ( -0.000 0.000 -10.476) 10.476 4.551 ( -0.000 0.000 10.476) 10.476 4.826 ( -0.000 0.000 -4.820) 4.820 4.826 ( -0.000 0.000 4.820) 4.820 5.245 ( -0.000 0.000 -5.126) 5.126 5.245 ( -0.000 0.000 5.126) 5.126 5.690 ( -0.000 0.000 -1.802) 1.802 5.690 ( -0.000 0.000 1.802) 1.802 =================== 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 3/20736 10.0 13.248 11.132 6.397 0.000 0.000 -0.000 3/20736 20.0 4.916 2.700 2.738 0.000 0.000 -0.000 3/20736 30.0 3.394 1.494 2.071 0.000 0.000 -0.000 3/20736 40.0 2.653 1.040 1.724 0.000 0.000 -0.000 3/20736 50.0 2.189 0.803 1.487 0.000 0.000 -0.000 3/20736 60.0 1.867 0.659 1.309 0.000 0.000 -0.000 3/20736 70.0 1.630 0.561 1.169 0.000 0.000 -0.000 3/20736 80.0 1.447 0.490 1.056 0.000 0.000 -0.000 3/20736 90.0 1.301 0.436 0.962 0.000 0.000 -0.000 3/20736 100.0 1.182 0.393 0.883 0.000 0.000 -0.000 3/20736 110.0 1.083 0.358 0.816 0.000 0.000 -0.000 3/20736 120.0 1.000 0.329 0.758 0.000 0.000 -0.000 3/20736 130.0 0.928 0.304 0.707 0.000 0.000 -0.000 3/20736 140.0 0.866 0.283 0.663 0.000 0.000 -0.000 3/20736 150.0 0.811 0.264 0.623 0.000 0.000 -0.000 3/20736 160.0 0.763 0.248 0.588 0.000 0.000 -0.000 3/20736 170.0 0.721 0.234 0.557 0.000 0.000 -0.000 3/20736 180.0 0.682 0.221 0.529 0.000 0.000 -0.000 3/20736 190.0 0.648 0.210 0.503 0.000 0.000 -0.000 3/20736 200.0 0.617 0.200 0.480 0.000 0.000 -0.000 3/20736 210.0 0.589 0.190 0.458 0.000 0.000 -0.000 3/20736 220.0 0.563 0.182 0.439 0.000 0.000 -0.000 3/20736 230.0 0.539 0.174 0.421 0.000 0.000 -0.000 3/20736 240.0 0.517 0.167 0.404 0.000 0.000 -0.000 3/20736 250.0 0.497 0.160 0.389 0.000 0.000 -0.000 3/20736 260.0 0.479 0.154 0.375 0.000 0.000 -0.000 3/20736 270.0 0.461 0.149 0.362 0.000 0.000 -0.000 3/20736 280.0 0.445 0.143 0.349 0.000 0.000 -0.000 3/20736 290.0 0.430 0.139 0.338 0.000 0.000 -0.000 3/20736 300.0 0.416 0.134 0.327 0.000 0.000 -0.000 3/20736 310.0 0.403 0.130 0.317 0.000 0.000 -0.000 3/20736 320.0 0.391 0.126 0.307 0.000 0.000 -0.000 3/20736 330.0 0.379 0.122 0.298 0.000 0.000 -0.000 3/20736 340.0 0.368 0.118 0.290 0.000 0.000 -0.000 3/20736 350.0 0.358 0.115 0.282 0.000 0.000 -0.000 3/20736 360.0 0.348 0.112 0.274 0.000 0.000 -0.000 3/20736 370.0 0.339 0.109 0.267 0.000 0.000 -0.000 3/20736 380.0 0.330 0.106 0.260 0.000 0.000 -0.000 3/20736 390.0 0.322 0.103 0.254 0.000 0.000 -0.000 3/20736 400.0 0.314 0.101 0.248 0.000 0.000 -0.000 3/20736 410.0 0.307 0.098 0.242 0.000 0.000 -0.000 3/20736 420.0 0.299 0.096 0.236 0.000 0.000 -0.000 3/20736 430.0 0.292 0.094 0.231 0.000 0.000 -0.000 3/20736 440.0 0.286 0.092 0.226 0.000 0.000 -0.000 3/20736 450.0 0.280 0.090 0.221 0.000 0.000 -0.000 3/20736 460.0 0.274 0.088 0.216 0.000 0.000 -0.000 3/20736 470.0 0.268 0.086 0.211 0.000 0.000 -0.000 3/20736 480.0 0.262 0.084 0.207 0.000 0.000 -0.000 3/20736 490.0 0.257 0.082 0.203 0.000 0.000 -0.000 3/20736 500.0 0.252 0.081 0.199 0.000 0.000 -0.000 3/20736 510.0 0.247 0.079 0.195 0.000 0.000 -0.000 3/20736 520.0 0.242 0.078 0.192 0.000 0.000 -0.000 3/20736 530.0 0.238 0.076 0.188 0.000 0.000 -0.000 3/20736 540.0 0.234 0.075 0.185 0.000 0.000 -0.000 3/20736 550.0 0.229 0.074 0.181 0.000 0.000 -0.000 3/20736 560.0 0.225 0.072 0.178 0.000 0.000 -0.000 3/20736 570.0 0.221 0.071 0.175 0.000 0.000 -0.000 3/20736 580.0 0.218 0.070 0.172 0.000 0.000 -0.000 3/20736 590.0 0.214 0.069 0.169 0.000 0.000 -0.000 3/20736 600.0 0.210 0.067 0.166 0.000 0.000 -0.000 3/20736 610.0 0.207 0.066 0.164 0.000 0.000 -0.000 3/20736 620.0 0.204 0.065 0.161 0.000 0.000 -0.000 3/20736 630.0 0.201 0.064 0.159 0.000 0.000 -0.000 3/20736 640.0 0.197 0.063 0.156 0.000 0.000 -0.000 3/20736 650.0 0.194 0.062 0.154 0.000 0.000 -0.000 3/20736 660.0 0.191 0.061 0.152 0.000 0.000 -0.000 3/20736 670.0 0.189 0.060 0.149 0.000 0.000 -0.000 3/20736 680.0 0.186 0.060 0.147 0.000 0.000 -0.000 3/20736 690.0 0.183 0.059 0.145 0.000 0.000 -0.000 3/20736 700.0 0.181 0.058 0.143 0.000 0.000 -0.000 3/20736 710.0 0.178 0.057 0.141 0.000 0.000 -0.000 3/20736 720.0 0.176 0.056 0.139 0.000 0.000 -0.000 3/20736 730.0 0.173 0.055 0.137 0.000 0.000 -0.000 3/20736 740.0 0.171 0.055 0.135 0.000 0.000 -0.000 3/20736 750.0 0.169 0.054 0.134 0.000 0.000 -0.000 3/20736 760.0 0.166 0.053 0.132 0.000 0.000 -0.000 3/20736 770.0 0.164 0.053 0.130 0.000 0.000 -0.000 3/20736 780.0 0.162 0.052 0.128 0.000 0.000 -0.000 3/20736 790.0 0.160 0.051 0.127 0.000 0.000 -0.000 3/20736 800.0 0.158 0.051 0.125 0.000 0.000 -0.000 3/20736 810.0 0.156 0.050 0.124 0.000 0.000 -0.000 3/20736 820.0 0.154 0.049 0.122 0.000 0.000 -0.000 3/20736 830.0 0.153 0.049 0.121 0.000 0.000 -0.000 3/20736 840.0 0.151 0.048 0.119 0.000 0.000 -0.000 3/20736 850.0 0.149 0.048 0.118 0.000 0.000 -0.000 3/20736 860.0 0.147 0.047 0.117 0.000 0.000 -0.000 3/20736 870.0 0.146 0.047 0.115 0.000 0.000 -0.000 3/20736 880.0 0.144 0.046 0.114 0.000 0.000 -0.000 3/20736 890.0 0.142 0.046 0.113 0.000 0.000 -0.000 3/20736 900.0 0.141 0.045 0.111 0.000 0.000 -0.000 3/20736 910.0 0.139 0.045 0.110 0.000 0.000 -0.000 3/20736 920.0 0.138 0.044 0.109 0.000 0.000 -0.000 3/20736 930.0 0.136 0.044 0.108 0.000 0.000 -0.000 3/20736 940.0 0.135 0.043 0.107 0.000 0.000 -0.000 3/20736 950.0 0.133 0.043 0.106 0.000 0.000 -0.000 3/20736 960.0 0.132 0.042 0.105 0.000 0.000 -0.000 3/20736 970.0 0.131 0.042 0.104 0.000 0.000 -0.000 3/20736 980.0 0.129 0.041 0.102 0.000 0.000 -0.000 3/20736 990.0 0.128 0.041 0.101 0.000 0.000 -0.000 3/20736 1000.0 0.127 0.041 0.100 0.000 0.000 -0.000 3/20736 Thermal conductivity related properties were written into "kappa-m12124.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:55:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|