----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:53:19]------------------------- 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 2.110440129999999 -6.996542425000000 0.000000000000000 b 2.110440129999999 6.996542425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.580545379999998 Atomic positions (fractional): *1 Se 0.36255755550320 0.63744244449680 0.54947220591557 78.960 2 Se 0.63744244449680 0.36255755550320 0.45052779408443 78.960 3 Se 0.63744244449680 0.36255755550320 0.04947220591557 78.960 *4 Se 0.07927664499742 0.92072335500258 0.75000000000000 78.960 5 Se 0.92072335500258 0.07927664499742 0.25000000000000 78.960 6 Se 0.36255755550320 0.63744244449680 0.95052779408443 78.960 *7 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 *9 Ag 0.53097437569324 0.46902562430676 0.25000000000000 107.868 10 Ag 0.46902562430676 0.53097437569324 0.75000000000000 107.868 *11 Ba 0.24872852746410 0.75127147253590 0.25000000000000 137.327 12 Ba 0.75127147253590 0.24872852746410 0.75000000000000 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.220880259999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.993084850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 10.580545379999998 Atomic positions (fractional): *1 Se 0.50000000000000 0.13744244449680 0.54947220591557 78.960 > 1 2 Se 0.00000000000000 0.36255755550320 0.45052779408443 78.960 > 2 3 Se 0.00000000000000 0.36255755550320 0.04947220591557 78.960 > 3 *4 Se 0.50000000000000 0.42072335500258 0.75000000000000 78.960 > 4 5 Se 0.00000000000000 0.07927664499742 0.25000000000000 78.960 > 5 6 Se 0.50000000000000 0.13744244449680 0.95052779408443 78.960 > 6 7 Se 0.00000000000000 0.63744244449680 0.54947220591557 78.960 > 1 8 Se 0.50000000000000 0.86255755550320 0.45052779408443 78.960 > 2 9 Se 0.50000000000000 0.86255755550320 0.04947220591557 78.960 > 3 10 Se 0.00000000000000 0.92072335500258 0.75000000000000 78.960 > 4 11 Se 0.50000000000000 0.57927664499742 0.25000000000000 78.960 > 5 12 Se 0.00000000000000 0.63744244449680 0.95052779408443 78.960 > 6 *13 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 7 14 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 8 15 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 7 16 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 8 *17 Ag 0.00000000000000 0.46902562430676 0.25000000000000 107.868 > 9 18 Ag 0.50000000000000 0.03097437569324 0.75000000000000 107.868 > 10 19 Ag 0.50000000000000 0.96902562430676 0.25000000000000 107.868 > 9 20 Ag 0.00000000000000 0.53097437569324 0.75000000000000 107.868 > 10 *21 Ba 0.50000000000000 0.25127147253590 0.25000000000000 137.327 > 11 22 Ba 0.00000000000000 0.24872852746410 0.75000000000000 137.327 > 12 23 Ba 0.00000000000000 0.75127147253590 0.25000000000000 137.327 > 11 24 Ba 0.50000000000000 0.74872852746410 0.75000000000000 137.327 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.662640779999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.993084850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.161090759999997 Atomic positions (fractional): *1 Se 0.16666666666667 0.13744244449680 0.27473610295778 78.960 > 1 2 Se 0.50000000000000 0.13744244449680 0.27473610295778 78.960 > 1 3 Se 0.83333333333333 0.13744244449680 0.27473610295778 78.960 > 1 4 Se 0.16666666666667 0.13744244449680 0.77473610295778 78.960 > 1 5 Se 0.50000000000000 0.13744244449680 0.77473610295778 78.960 > 1 6 Se 0.83333333333333 0.13744244449680 0.77473610295778 78.960 > 1 7 Se 0.00000000000000 0.36255755550320 0.22526389704222 78.960 > 2 8 Se 0.33333333333333 0.36255755550320 0.22526389704222 78.960 > 2 9 Se 0.66666666666667 0.36255755550320 0.22526389704222 78.960 > 2 10 Se 0.00000000000000 0.36255755550320 0.72526389704222 78.960 > 2 11 Se 0.33333333333333 0.36255755550320 0.72526389704222 78.960 > 2 12 Se 0.66666666666667 0.36255755550320 0.72526389704222 78.960 > 2 13 Se 0.00000000000000 0.36255755550320 0.02473610295778 78.960 > 3 14 Se 0.33333333333333 0.36255755550320 0.02473610295778 78.960 > 3 15 Se 0.66666666666667 0.36255755550320 0.02473610295778 78.960 > 3 16 Se 0.00000000000000 0.36255755550320 0.52473610295778 78.960 > 3 17 Se 0.33333333333333 0.36255755550320 0.52473610295778 78.960 > 3 18 Se 0.66666666666667 0.36255755550320 0.52473610295778 78.960 > 3 *19 Se 0.16666666666667 0.42072335500258 0.37500000000000 78.960 > 4 20 Se 0.50000000000000 0.42072335500258 0.37500000000000 78.960 > 4 21 Se 0.83333333333333 0.42072335500258 0.37500000000000 78.960 > 4 22 Se 0.16666666666667 0.42072335500258 0.87500000000000 78.960 > 4 23 Se 0.50000000000000 0.42072335500258 0.87500000000000 78.960 > 4 24 Se 0.83333333333333 0.42072335500258 0.87500000000000 78.960 > 4 25 Se 0.00000000000000 0.07927664499742 0.12500000000000 78.960 > 5 26 Se 0.33333333333333 0.07927664499742 0.12500000000000 78.960 > 5 27 Se 0.66666666666667 0.07927664499742 0.12500000000000 78.960 > 5 28 Se 0.00000000000000 0.07927664499742 0.62500000000000 78.960 > 5 29 Se 0.33333333333333 0.07927664499742 0.62500000000000 78.960 > 5 30 Se 0.66666666666667 0.07927664499742 0.62500000000000 78.960 > 5 31 Se 0.16666666666667 0.13744244449680 0.47526389704222 78.960 > 6 32 Se 0.50000000000000 0.13744244449680 0.47526389704222 78.960 > 6 33 Se 0.83333333333333 0.13744244449680 0.47526389704222 78.960 > 6 34 Se 0.16666666666667 0.13744244449680 0.97526389704222 78.960 > 6 35 Se 0.50000000000000 0.13744244449680 0.97526389704222 78.960 > 6 36 Se 0.83333333333333 0.13744244449680 0.97526389704222 78.960 > 6 37 Se 0.00000000000000 0.63744244449680 0.27473610295778 78.960 > 1 38 Se 0.33333333333333 0.63744244449680 0.27473610295778 78.960 > 1 39 Se 0.66666666666667 0.63744244449680 0.27473610295778 78.960 > 1 40 Se 0.00000000000000 0.63744244449680 0.77473610295778 78.960 > 1 41 Se 0.33333333333333 0.63744244449680 0.77473610295778 78.960 > 1 42 Se 0.66666666666667 0.63744244449680 0.77473610295778 78.960 > 1 43 Se 0.16666666666667 0.86255755550320 0.22526389704222 78.960 > 2 44 Se 0.50000000000000 0.86255755550320 0.22526389704222 78.960 > 2 45 Se 0.83333333333333 0.86255755550320 0.22526389704222 78.960 > 2 46 Se 0.16666666666667 0.86255755550320 0.72526389704222 78.960 > 2 47 Se 0.50000000000000 0.86255755550320 0.72526389704222 78.960 > 2 48 Se 0.83333333333333 0.86255755550320 0.72526389704222 78.960 > 2 49 Se 0.16666666666667 0.86255755550320 0.02473610295778 78.960 > 3 50 Se 0.50000000000000 0.86255755550320 0.02473610295778 78.960 > 3 51 Se 0.83333333333333 0.86255755550320 0.02473610295778 78.960 > 3 52 Se 0.16666666666667 0.86255755550320 0.52473610295778 78.960 > 3 53 Se 0.50000000000000 0.86255755550320 0.52473610295778 78.960 > 3 54 Se 0.83333333333333 0.86255755550320 0.52473610295778 78.960 > 3 55 Se 0.00000000000000 0.92072335500258 0.37500000000000 78.960 > 4 56 Se 0.33333333333333 0.92072335500258 0.37500000000000 78.960 > 4 57 Se 0.66666666666667 0.92072335500258 0.37500000000000 78.960 > 4 58 Se 0.00000000000000 0.92072335500258 0.87500000000000 78.960 > 4 59 Se 0.33333333333333 0.92072335500258 0.87500000000000 78.960 > 4 60 Se 0.66666666666667 0.92072335500258 0.87500000000000 78.960 > 4 61 Se 0.16666666666667 0.57927664499742 0.12500000000000 78.960 > 5 62 Se 0.50000000000000 0.57927664499742 0.12500000000000 78.960 > 5 63 Se 0.83333333333333 0.57927664499742 0.12500000000000 78.960 > 5 64 Se 0.16666666666667 0.57927664499742 0.62500000000000 78.960 > 5 65 Se 0.50000000000000 0.57927664499742 0.62500000000000 78.960 > 5 66 Se 0.83333333333333 0.57927664499742 0.62500000000000 78.960 > 5 67 Se 0.00000000000000 0.63744244449680 0.47526389704222 78.960 > 6 68 Se 0.33333333333333 0.63744244449680 0.47526389704222 78.960 > 6 69 Se 0.66666666666667 0.63744244449680 0.47526389704222 78.960 > 6 70 Se 0.00000000000000 0.63744244449680 0.97526389704222 78.960 > 6 71 Se 0.33333333333333 0.63744244449680 0.97526389704222 78.960 > 6 72 Se 0.66666666666667 0.63744244449680 0.97526389704222 78.960 > 6 *73 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 7 74 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 7 75 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 7 76 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 7 77 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 7 78 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 7 79 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 8 80 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 8 81 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 8 82 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 8 83 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 8 84 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 8 85 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 7 86 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 7 87 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 7 88 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 7 89 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 7 90 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 7 91 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 8 92 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 8 93 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 8 94 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 8 95 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 8 96 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 8 *97 Ag 0.00000000000000 0.46902562430676 0.12500000000000 107.868 > 9 98 Ag 0.33333333333333 0.46902562430676 0.12500000000000 107.868 > 9 99 Ag 0.66666666666667 0.46902562430676 0.12500000000000 107.868 > 9 100 Ag 0.00000000000000 0.46902562430676 0.62500000000000 107.868 > 9 101 Ag 0.33333333333333 0.46902562430676 0.62500000000000 107.868 > 9 102 Ag 0.66666666666667 0.46902562430676 0.62500000000000 107.868 > 9 103 Ag 0.16666666666667 0.03097437569324 0.37500000000000 107.868 > 10 104 Ag 0.50000000000000 0.03097437569324 0.37500000000000 107.868 > 10 105 Ag 0.83333333333333 0.03097437569324 0.37500000000000 107.868 > 10 106 Ag 0.16666666666667 0.03097437569324 0.87500000000000 107.868 > 10 107 Ag 0.50000000000000 0.03097437569324 0.87500000000000 107.868 > 10 108 Ag 0.83333333333333 0.03097437569324 0.87500000000000 107.868 > 10 109 Ag 0.16666666666667 0.96902562430676 0.12500000000000 107.868 > 9 110 Ag 0.50000000000000 0.96902562430676 0.12500000000000 107.868 > 9 111 Ag 0.83333333333333 0.96902562430676 0.12500000000000 107.868 > 9 112 Ag 0.16666666666667 0.96902562430676 0.62500000000000 107.868 > 9 113 Ag 0.50000000000000 0.96902562430676 0.62500000000000 107.868 > 9 114 Ag 0.83333333333333 0.96902562430676 0.62500000000000 107.868 > 9 115 Ag 0.00000000000000 0.53097437569324 0.37500000000000 107.868 > 10 116 Ag 0.33333333333333 0.53097437569324 0.37500000000000 107.868 > 10 117 Ag 0.66666666666667 0.53097437569324 0.37500000000000 107.868 > 10 118 Ag 0.00000000000000 0.53097437569324 0.87500000000000 107.868 > 10 119 Ag 0.33333333333333 0.53097437569324 0.87500000000000 107.868 > 10 120 Ag 0.66666666666667 0.53097437569324 0.87500000000000 107.868 > 10 *121 Ba 0.16666666666667 0.25127147253590 0.12500000000000 137.327 > 11 122 Ba 0.50000000000000 0.25127147253590 0.12500000000000 137.327 > 11 123 Ba 0.83333333333333 0.25127147253590 0.12500000000000 137.327 > 11 124 Ba 0.16666666666667 0.25127147253590 0.62500000000000 137.327 > 11 125 Ba 0.50000000000000 0.25127147253590 0.62500000000000 137.327 > 11 126 Ba 0.83333333333333 0.25127147253590 0.62500000000000 137.327 > 11 127 Ba 0.00000000000000 0.24872852746410 0.37500000000000 137.327 > 12 128 Ba 0.33333333333333 0.24872852746410 0.37500000000000 137.327 > 12 129 Ba 0.66666666666667 0.24872852746410 0.37500000000000 137.327 > 12 130 Ba 0.00000000000000 0.24872852746410 0.87500000000000 137.327 > 12 131 Ba 0.33333333333333 0.24872852746410 0.87500000000000 137.327 > 12 132 Ba 0.66666666666667 0.24872852746410 0.87500000000000 137.327 > 12 133 Ba 0.00000000000000 0.75127147253590 0.12500000000000 137.327 > 11 134 Ba 0.33333333333333 0.75127147253590 0.12500000000000 137.327 > 11 135 Ba 0.66666666666667 0.75127147253590 0.12500000000000 137.327 > 11 136 Ba 0.00000000000000 0.75127147253590 0.62500000000000 137.327 > 11 137 Ba 0.33333333333333 0.75127147253590 0.62500000000000 137.327 > 11 138 Ba 0.66666666666667 0.75127147253590 0.62500000000000 137.327 > 11 139 Ba 0.16666666666667 0.74872852746410 0.37500000000000 137.327 > 12 140 Ba 0.50000000000000 0.74872852746410 0.37500000000000 137.327 > 12 141 Ba 0.83333333333333 0.74872852746410 0.37500000000000 137.327 > 12 142 Ba 0.16666666666667 0.74872852746410 0.87500000000000 137.327 > 12 143 Ba 0.50000000000000 0.74872852746410 0.87500000000000 137.327 > 12 144 Ba 0.83333333333333 0.74872852746410 0.87500000000000 137.327 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5896237 0.0000000 0.0000000 0.0000000 7.1913555 0.0000000 0.0000000 0.0000000 8.2778574 -------------------------- Born effective charges -------------------------- 1 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 -0.1986532 0.0000000 -0.2952182 -2.2693553 2 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 -0.1986532 0.0000000 -0.2952182 -2.2693553 3 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 0.1986532 0.0000000 0.2952182 -2.2693553 4 Se -2.0897121 0.0000000 0.0000000 0.0000000 -2.0287448 0.0000000 0.0000000 0.0000000 -3.2118949 5 Se -2.0897121 0.0000000 0.0000000 0.0000000 -2.0287448 0.0000000 0.0000000 0.0000000 -3.2118949 6 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 0.1986532 0.0000000 0.2952182 -2.2693553 7 Y 4.7170642 0.0000000 0.0000000 0.0000000 2.4967348 -0.0726013 0.0000000 -0.1086675 4.4659990 8 Y 4.7170642 0.0000000 0.0000000 0.0000000 2.4967348 0.0726013 0.0000000 0.1086675 4.4659990 9 Ag 0.6137255 0.0000000 0.0000000 0.0000000 0.4547634 0.0000000 0.0000000 0.0000000 0.5581521 10 Ag 0.6137255 0.0000000 0.0000000 0.0000000 0.4547634 0.0000000 0.0000000 0.0000000 0.5581521 11 Ba 2.6990923 0.0000000 0.0000000 0.0000000 3.5798340 0.0000000 0.0000000 0.0000000 2.7264543 12 Ba 2.6990923 0.0000000 0.0000000 0.0000000 3.5798340 0.0000000 0.0000000 0.0000000 2.7264543 ---------------------------------------------------------------------------- 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): 0.004 Solver_block: 100 / 240 - Time: 1.661 Solver_block: 200 / 240 - Time: 1.640 Solver_block: 240 / 240 - Time: 0.732 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.059 --------------------------------- 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 21:53:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:53:37]------------------------- 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 2.110440129999999 -6.996542425000000 0.000000000000000 b 2.110440129999999 6.996542425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.580545379999998 Atomic positions (fractional): 1 Se 0.36255755550320 0.63744244449680 0.54947220591557 78.960 2 Se 0.63744244449680 0.36255755550320 0.45052779408443 78.960 3 Se 0.63744244449680 0.36255755550320 0.04947220591557 78.960 4 Se 0.07927664499742 0.92072335500258 0.75000000000000 78.960 5 Se 0.92072335500258 0.07927664499742 0.25000000000000 78.960 6 Se 0.36255755550320 0.63744244449680 0.95052779408443 78.960 7 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 9 Ag 0.53097437569324 0.46902562430676 0.25000000000000 107.868 10 Ag 0.46902562430676 0.53097437569324 0.75000000000000 107.868 11 Ba 0.24872852746410 0.75127147253590 0.25000000000000 137.327 12 Ba 0.75127147253590 0.24872852746410 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.662640779999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.993084850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.161090759999997 Atomic positions (fractional): 1 Se 0.16666666666667 0.13744244449680 0.27473610295778 78.960 > 1 2 Se 0.50000000000000 0.13744244449680 0.27473610295778 78.960 > 1 3 Se 0.83333333333333 0.13744244449680 0.27473610295778 78.960 > 1 4 Se 0.16666666666667 0.13744244449680 0.77473610295778 78.960 > 1 5 Se 0.50000000000000 0.13744244449680 0.77473610295778 78.960 > 1 6 Se 0.83333333333333 0.13744244449680 0.77473610295778 78.960 > 1 7 Se 0.00000000000000 0.36255755550320 0.22526389704222 78.960 > 7 8 Se 0.33333333333333 0.36255755550320 0.22526389704222 78.960 > 7 9 Se 0.66666666666667 0.36255755550320 0.22526389704222 78.960 > 7 10 Se 0.00000000000000 0.36255755550320 0.72526389704222 78.960 > 7 11 Se 0.33333333333333 0.36255755550320 0.72526389704222 78.960 > 7 12 Se 0.66666666666667 0.36255755550320 0.72526389704222 78.960 > 7 13 Se 0.00000000000000 0.36255755550320 0.02473610295778 78.960 > 13 14 Se 0.33333333333333 0.36255755550320 0.02473610295778 78.960 > 13 15 Se 0.66666666666667 0.36255755550320 0.02473610295778 78.960 > 13 16 Se 0.00000000000000 0.36255755550320 0.52473610295778 78.960 > 13 17 Se 0.33333333333333 0.36255755550320 0.52473610295778 78.960 > 13 18 Se 0.66666666666667 0.36255755550320 0.52473610295778 78.960 > 13 19 Se 0.16666666666667 0.42072335500258 0.37500000000000 78.960 > 19 20 Se 0.50000000000000 0.42072335500258 0.37500000000000 78.960 > 19 21 Se 0.83333333333333 0.42072335500258 0.37500000000000 78.960 > 19 22 Se 0.16666666666667 0.42072335500258 0.87500000000000 78.960 > 19 23 Se 0.50000000000000 0.42072335500258 0.87500000000000 78.960 > 19 24 Se 0.83333333333333 0.42072335500258 0.87500000000000 78.960 > 19 25 Se 0.00000000000000 0.07927664499742 0.12500000000000 78.960 > 25 26 Se 0.33333333333333 0.07927664499742 0.12500000000000 78.960 > 25 27 Se 0.66666666666667 0.07927664499742 0.12500000000000 78.960 > 25 28 Se 0.00000000000000 0.07927664499742 0.62500000000000 78.960 > 25 29 Se 0.33333333333333 0.07927664499742 0.62500000000000 78.960 > 25 30 Se 0.66666666666667 0.07927664499742 0.62500000000000 78.960 > 25 31 Se 0.16666666666667 0.13744244449680 0.47526389704222 78.960 > 31 32 Se 0.50000000000000 0.13744244449680 0.47526389704222 78.960 > 31 33 Se 0.83333333333333 0.13744244449680 0.47526389704222 78.960 > 31 34 Se 0.16666666666667 0.13744244449680 0.97526389704222 78.960 > 31 35 Se 0.50000000000000 0.13744244449680 0.97526389704222 78.960 > 31 36 Se 0.83333333333333 0.13744244449680 0.97526389704222 78.960 > 31 37 Se 0.00000000000000 0.63744244449680 0.27473610295778 78.960 > 1 38 Se 0.33333333333333 0.63744244449680 0.27473610295778 78.960 > 1 39 Se 0.66666666666667 0.63744244449680 0.27473610295778 78.960 > 1 40 Se 0.00000000000000 0.63744244449680 0.77473610295778 78.960 > 1 41 Se 0.33333333333333 0.63744244449680 0.77473610295778 78.960 > 1 42 Se 0.66666666666667 0.63744244449680 0.77473610295778 78.960 > 1 43 Se 0.16666666666667 0.86255755550320 0.22526389704222 78.960 > 7 44 Se 0.50000000000000 0.86255755550320 0.22526389704222 78.960 > 7 45 Se 0.83333333333333 0.86255755550320 0.22526389704222 78.960 > 7 46 Se 0.16666666666667 0.86255755550320 0.72526389704222 78.960 > 7 47 Se 0.50000000000000 0.86255755550320 0.72526389704222 78.960 > 7 48 Se 0.83333333333333 0.86255755550320 0.72526389704222 78.960 > 7 49 Se 0.16666666666667 0.86255755550320 0.02473610295778 78.960 > 13 50 Se 0.50000000000000 0.86255755550320 0.02473610295778 78.960 > 13 51 Se 0.83333333333333 0.86255755550320 0.02473610295778 78.960 > 13 52 Se 0.16666666666667 0.86255755550320 0.52473610295778 78.960 > 13 53 Se 0.50000000000000 0.86255755550320 0.52473610295778 78.960 > 13 54 Se 0.83333333333333 0.86255755550320 0.52473610295778 78.960 > 13 55 Se 0.00000000000000 0.92072335500258 0.37500000000000 78.960 > 19 56 Se 0.33333333333333 0.92072335500258 0.37500000000000 78.960 > 19 57 Se 0.66666666666667 0.92072335500258 0.37500000000000 78.960 > 19 58 Se 0.00000000000000 0.92072335500258 0.87500000000000 78.960 > 19 59 Se 0.33333333333333 0.92072335500258 0.87500000000000 78.960 > 19 60 Se 0.66666666666667 0.92072335500258 0.87500000000000 78.960 > 19 61 Se 0.16666666666667 0.57927664499742 0.12500000000000 78.960 > 25 62 Se 0.50000000000000 0.57927664499742 0.12500000000000 78.960 > 25 63 Se 0.83333333333333 0.57927664499742 0.12500000000000 78.960 > 25 64 Se 0.16666666666667 0.57927664499742 0.62500000000000 78.960 > 25 65 Se 0.50000000000000 0.57927664499742 0.62500000000000 78.960 > 25 66 Se 0.83333333333333 0.57927664499742 0.62500000000000 78.960 > 25 67 Se 0.00000000000000 0.63744244449680 0.47526389704222 78.960 > 31 68 Se 0.33333333333333 0.63744244449680 0.47526389704222 78.960 > 31 69 Se 0.66666666666667 0.63744244449680 0.47526389704222 78.960 > 31 70 Se 0.00000000000000 0.63744244449680 0.97526389704222 78.960 > 31 71 Se 0.33333333333333 0.63744244449680 0.97526389704222 78.960 > 31 72 Se 0.66666666666667 0.63744244449680 0.97526389704222 78.960 > 31 73 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 73 74 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 73 75 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 73 76 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 73 77 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 73 78 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 73 79 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 79 80 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 79 81 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 79 82 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 79 83 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 79 84 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 79 85 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 73 86 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 73 87 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 73 88 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 73 89 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 73 90 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 73 91 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 79 92 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 79 93 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 79 94 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 79 95 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 79 96 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 79 97 Ag 0.00000000000000 0.46902562430676 0.12500000000000 107.868 > 97 98 Ag 0.33333333333333 0.46902562430676 0.12500000000000 107.868 > 97 99 Ag 0.66666666666667 0.46902562430676 0.12500000000000 107.868 > 97 100 Ag 0.00000000000000 0.46902562430676 0.62500000000000 107.868 > 97 101 Ag 0.33333333333333 0.46902562430676 0.62500000000000 107.868 > 97 102 Ag 0.66666666666667 0.46902562430676 0.62500000000000 107.868 > 97 103 Ag 0.16666666666667 0.03097437569324 0.37500000000000 107.868 > 103 104 Ag 0.50000000000000 0.03097437569324 0.37500000000000 107.868 > 103 105 Ag 0.83333333333333 0.03097437569324 0.37500000000000 107.868 > 103 106 Ag 0.16666666666667 0.03097437569324 0.87500000000000 107.868 > 103 107 Ag 0.50000000000000 0.03097437569324 0.87500000000000 107.868 > 103 108 Ag 0.83333333333333 0.03097437569324 0.87500000000000 107.868 > 103 109 Ag 0.16666666666667 0.96902562430676 0.12500000000000 107.868 > 97 110 Ag 0.50000000000000 0.96902562430676 0.12500000000000 107.868 > 97 111 Ag 0.83333333333333 0.96902562430676 0.12500000000000 107.868 > 97 112 Ag 0.16666666666667 0.96902562430676 0.62500000000000 107.868 > 97 113 Ag 0.50000000000000 0.96902562430676 0.62500000000000 107.868 > 97 114 Ag 0.83333333333333 0.96902562430676 0.62500000000000 107.868 > 97 115 Ag 0.00000000000000 0.53097437569324 0.37500000000000 107.868 > 103 116 Ag 0.33333333333333 0.53097437569324 0.37500000000000 107.868 > 103 117 Ag 0.66666666666667 0.53097437569324 0.37500000000000 107.868 > 103 118 Ag 0.00000000000000 0.53097437569324 0.87500000000000 107.868 > 103 119 Ag 0.33333333333333 0.53097437569324 0.87500000000000 107.868 > 103 120 Ag 0.66666666666667 0.53097437569324 0.87500000000000 107.868 > 103 121 Ba 0.16666666666667 0.25127147253590 0.12500000000000 137.327 > 121 122 Ba 0.50000000000000 0.25127147253590 0.12500000000000 137.327 > 121 123 Ba 0.83333333333333 0.25127147253590 0.12500000000000 137.327 > 121 124 Ba 0.16666666666667 0.25127147253590 0.62500000000000 137.327 > 121 125 Ba 0.50000000000000 0.25127147253590 0.62500000000000 137.327 > 121 126 Ba 0.83333333333333 0.25127147253590 0.62500000000000 137.327 > 121 127 Ba 0.00000000000000 0.24872852746410 0.37500000000000 137.327 > 127 128 Ba 0.33333333333333 0.24872852746410 0.37500000000000 137.327 > 127 129 Ba 0.66666666666667 0.24872852746410 0.37500000000000 137.327 > 127 130 Ba 0.00000000000000 0.24872852746410 0.87500000000000 137.327 > 127 131 Ba 0.33333333333333 0.24872852746410 0.87500000000000 137.327 > 127 132 Ba 0.66666666666667 0.24872852746410 0.87500000000000 137.327 > 127 133 Ba 0.00000000000000 0.75127147253590 0.12500000000000 137.327 > 121 134 Ba 0.33333333333333 0.75127147253590 0.12500000000000 137.327 > 121 135 Ba 0.66666666666667 0.75127147253590 0.12500000000000 137.327 > 121 136 Ba 0.00000000000000 0.75127147253590 0.62500000000000 137.327 > 121 137 Ba 0.33333333333333 0.75127147253590 0.62500000000000 137.327 > 121 138 Ba 0.66666666666667 0.75127147253590 0.62500000000000 137.327 > 121 139 Ba 0.16666666666667 0.74872852746410 0.37500000000000 137.327 > 127 140 Ba 0.50000000000000 0.74872852746410 0.37500000000000 137.327 > 127 141 Ba 0.83333333333333 0.74872852746410 0.37500000000000 137.327 > 127 142 Ba 0.16666666666667 0.74872852746410 0.87500000000000 137.327 > 127 143 Ba 0.50000000000000 0.74872852746410 0.87500000000000 137.327 > 127 144 Ba 0.83333333333333 0.74872852746410 0.87500000000000 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.5896237 0.0000000 0.0000000 0.0000000 7.1913555 0.0000000 0.0000000 0.0000000 8.2778574 -------------------------- Born effective charges -------------------------- 1 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 -0.1986532 0.0000000 -0.2952182 -2.2693553 2 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 -0.1986532 0.0000000 -0.2952182 -2.2693553 3 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 0.1986532 0.0000000 0.2952182 -2.2693553 4 Se -2.0897121 0.0000000 0.0000000 0.0000000 -2.0287448 0.0000000 0.0000000 0.0000000 -3.2118949 5 Se -2.0897121 0.0000000 0.0000000 0.0000000 -2.0287448 0.0000000 0.0000000 0.0000000 -3.2118949 6 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 0.1986532 0.0000000 0.2952182 -2.2693553 7 Y 4.7170642 0.0000000 0.0000000 0.0000000 2.4967348 -0.0726013 0.0000000 -0.1086675 4.4659990 8 Y 4.7170642 0.0000000 0.0000000 0.0000000 2.4967348 0.0726013 0.0000000 0.1086675 4.4659990 9 Ag 0.6137255 0.0000000 0.0000000 0.0000000 0.4547634 0.0000000 0.0000000 0.0000000 0.5581521 10 Ag 0.6137255 0.0000000 0.0000000 0.0000000 0.4547634 0.0000000 0.0000000 0.0000000 0.5581521 11 Ba 2.6990923 0.0000000 0.0000000 0.0000000 3.5798340 0.0000000 0.0000000 0.0000000 2.7264543 12 Ba 2.6990923 0.0000000 0.0000000 0.0000000 3.5798340 0.0000000 0.0000000 0.0000000 2.7264543 ---------------------------------------------------------------------------- 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[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 21:53:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:53:56]------------------------- 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 2.110440129999999 -6.996542425000000 0.000000000000000 b 2.110440129999999 6.996542425000000 0.000000000000000 c 0.000000000000000 0.000000000000000 10.580545379999998 Atomic positions (fractional): 1 Se 0.36255755550320 0.63744244449680 0.54947220591557 78.960 2 Se 0.63744244449680 0.36255755550320 0.45052779408443 78.960 3 Se 0.63744244449680 0.36255755550320 0.04947220591557 78.960 4 Se 0.07927664499742 0.92072335500258 0.75000000000000 78.960 5 Se 0.92072335500258 0.07927664499742 0.25000000000000 78.960 6 Se 0.36255755550320 0.63744244449680 0.95052779408443 78.960 7 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 8 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 9 Ag 0.53097437569324 0.46902562430676 0.25000000000000 107.868 10 Ag 0.46902562430676 0.53097437569324 0.75000000000000 107.868 11 Ba 0.24872852746410 0.75127147253590 0.25000000000000 137.327 12 Ba 0.75127147253590 0.24872852746410 0.75000000000000 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.662640779999997 0.000000000000000 0.000000000000000 b 0.000000000000000 13.993084850000001 0.000000000000000 c 0.000000000000000 0.000000000000000 21.161090759999997 Atomic positions (fractional): 1 Se 0.16666666666667 0.13744244449680 0.27473610295778 78.960 > 1 2 Se 0.50000000000000 0.13744244449680 0.27473610295778 78.960 > 1 3 Se 0.83333333333333 0.13744244449680 0.27473610295778 78.960 > 1 4 Se 0.16666666666667 0.13744244449680 0.77473610295778 78.960 > 1 5 Se 0.50000000000000 0.13744244449680 0.77473610295778 78.960 > 1 6 Se 0.83333333333333 0.13744244449680 0.77473610295778 78.960 > 1 7 Se 0.00000000000000 0.36255755550320 0.22526389704222 78.960 > 7 8 Se 0.33333333333333 0.36255755550320 0.22526389704222 78.960 > 7 9 Se 0.66666666666667 0.36255755550320 0.22526389704222 78.960 > 7 10 Se 0.00000000000000 0.36255755550320 0.72526389704222 78.960 > 7 11 Se 0.33333333333333 0.36255755550320 0.72526389704222 78.960 > 7 12 Se 0.66666666666667 0.36255755550320 0.72526389704222 78.960 > 7 13 Se 0.00000000000000 0.36255755550320 0.02473610295778 78.960 > 13 14 Se 0.33333333333333 0.36255755550320 0.02473610295778 78.960 > 13 15 Se 0.66666666666667 0.36255755550320 0.02473610295778 78.960 > 13 16 Se 0.00000000000000 0.36255755550320 0.52473610295778 78.960 > 13 17 Se 0.33333333333333 0.36255755550320 0.52473610295778 78.960 > 13 18 Se 0.66666666666667 0.36255755550320 0.52473610295778 78.960 > 13 19 Se 0.16666666666667 0.42072335500258 0.37500000000000 78.960 > 19 20 Se 0.50000000000000 0.42072335500258 0.37500000000000 78.960 > 19 21 Se 0.83333333333333 0.42072335500258 0.37500000000000 78.960 > 19 22 Se 0.16666666666667 0.42072335500258 0.87500000000000 78.960 > 19 23 Se 0.50000000000000 0.42072335500258 0.87500000000000 78.960 > 19 24 Se 0.83333333333333 0.42072335500258 0.87500000000000 78.960 > 19 25 Se 0.00000000000000 0.07927664499742 0.12500000000000 78.960 > 25 26 Se 0.33333333333333 0.07927664499742 0.12500000000000 78.960 > 25 27 Se 0.66666666666667 0.07927664499742 0.12500000000000 78.960 > 25 28 Se 0.00000000000000 0.07927664499742 0.62500000000000 78.960 > 25 29 Se 0.33333333333333 0.07927664499742 0.62500000000000 78.960 > 25 30 Se 0.66666666666667 0.07927664499742 0.62500000000000 78.960 > 25 31 Se 0.16666666666667 0.13744244449680 0.47526389704222 78.960 > 31 32 Se 0.50000000000000 0.13744244449680 0.47526389704222 78.960 > 31 33 Se 0.83333333333333 0.13744244449680 0.47526389704222 78.960 > 31 34 Se 0.16666666666667 0.13744244449680 0.97526389704222 78.960 > 31 35 Se 0.50000000000000 0.13744244449680 0.97526389704222 78.960 > 31 36 Se 0.83333333333333 0.13744244449680 0.97526389704222 78.960 > 31 37 Se 0.00000000000000 0.63744244449680 0.27473610295778 78.960 > 1 38 Se 0.33333333333333 0.63744244449680 0.27473610295778 78.960 > 1 39 Se 0.66666666666667 0.63744244449680 0.27473610295778 78.960 > 1 40 Se 0.00000000000000 0.63744244449680 0.77473610295778 78.960 > 1 41 Se 0.33333333333333 0.63744244449680 0.77473610295778 78.960 > 1 42 Se 0.66666666666667 0.63744244449680 0.77473610295778 78.960 > 1 43 Se 0.16666666666667 0.86255755550320 0.22526389704222 78.960 > 7 44 Se 0.50000000000000 0.86255755550320 0.22526389704222 78.960 > 7 45 Se 0.83333333333333 0.86255755550320 0.22526389704222 78.960 > 7 46 Se 0.16666666666667 0.86255755550320 0.72526389704222 78.960 > 7 47 Se 0.50000000000000 0.86255755550320 0.72526389704222 78.960 > 7 48 Se 0.83333333333333 0.86255755550320 0.72526389704222 78.960 > 7 49 Se 0.16666666666667 0.86255755550320 0.02473610295778 78.960 > 13 50 Se 0.50000000000000 0.86255755550320 0.02473610295778 78.960 > 13 51 Se 0.83333333333333 0.86255755550320 0.02473610295778 78.960 > 13 52 Se 0.16666666666667 0.86255755550320 0.52473610295778 78.960 > 13 53 Se 0.50000000000000 0.86255755550320 0.52473610295778 78.960 > 13 54 Se 0.83333333333333 0.86255755550320 0.52473610295778 78.960 > 13 55 Se 0.00000000000000 0.92072335500258 0.37500000000000 78.960 > 19 56 Se 0.33333333333333 0.92072335500258 0.37500000000000 78.960 > 19 57 Se 0.66666666666667 0.92072335500258 0.37500000000000 78.960 > 19 58 Se 0.00000000000000 0.92072335500258 0.87500000000000 78.960 > 19 59 Se 0.33333333333333 0.92072335500258 0.87500000000000 78.960 > 19 60 Se 0.66666666666667 0.92072335500258 0.87500000000000 78.960 > 19 61 Se 0.16666666666667 0.57927664499742 0.12500000000000 78.960 > 25 62 Se 0.50000000000000 0.57927664499742 0.12500000000000 78.960 > 25 63 Se 0.83333333333333 0.57927664499742 0.12500000000000 78.960 > 25 64 Se 0.16666666666667 0.57927664499742 0.62500000000000 78.960 > 25 65 Se 0.50000000000000 0.57927664499742 0.62500000000000 78.960 > 25 66 Se 0.83333333333333 0.57927664499742 0.62500000000000 78.960 > 25 67 Se 0.00000000000000 0.63744244449680 0.47526389704222 78.960 > 31 68 Se 0.33333333333333 0.63744244449680 0.47526389704222 78.960 > 31 69 Se 0.66666666666667 0.63744244449680 0.47526389704222 78.960 > 31 70 Se 0.00000000000000 0.63744244449680 0.97526389704222 78.960 > 31 71 Se 0.33333333333333 0.63744244449680 0.97526389704222 78.960 > 31 72 Se 0.66666666666667 0.63744244449680 0.97526389704222 78.960 > 31 73 Y 0.00000000000000 0.00000000000000 0.00000000000000 88.906 > 73 74 Y 0.33333333333333 0.00000000000000 0.00000000000000 88.906 > 73 75 Y 0.66666666666667 0.00000000000000 0.00000000000000 88.906 > 73 76 Y 0.00000000000000 0.00000000000000 0.50000000000000 88.906 > 73 77 Y 0.33333333333333 0.00000000000000 0.50000000000000 88.906 > 73 78 Y 0.66666666666667 0.00000000000000 0.50000000000000 88.906 > 73 79 Y 0.00000000000000 0.00000000000000 0.25000000000000 88.906 > 79 80 Y 0.33333333333333 0.00000000000000 0.25000000000000 88.906 > 79 81 Y 0.66666666666667 0.00000000000000 0.25000000000000 88.906 > 79 82 Y 0.00000000000000 0.00000000000000 0.75000000000000 88.906 > 79 83 Y 0.33333333333333 0.00000000000000 0.75000000000000 88.906 > 79 84 Y 0.66666666666667 0.00000000000000 0.75000000000000 88.906 > 79 85 Y 0.16666666666667 0.50000000000000 0.00000000000000 88.906 > 73 86 Y 0.50000000000000 0.50000000000000 0.00000000000000 88.906 > 73 87 Y 0.83333333333333 0.50000000000000 0.00000000000000 88.906 > 73 88 Y 0.16666666666667 0.50000000000000 0.50000000000000 88.906 > 73 89 Y 0.50000000000000 0.50000000000000 0.50000000000000 88.906 > 73 90 Y 0.83333333333333 0.50000000000000 0.50000000000000 88.906 > 73 91 Y 0.16666666666667 0.50000000000000 0.25000000000000 88.906 > 79 92 Y 0.50000000000000 0.50000000000000 0.25000000000000 88.906 > 79 93 Y 0.83333333333333 0.50000000000000 0.25000000000000 88.906 > 79 94 Y 0.16666666666667 0.50000000000000 0.75000000000000 88.906 > 79 95 Y 0.50000000000000 0.50000000000000 0.75000000000000 88.906 > 79 96 Y 0.83333333333333 0.50000000000000 0.75000000000000 88.906 > 79 97 Ag 0.00000000000000 0.46902562430676 0.12500000000000 107.868 > 97 98 Ag 0.33333333333333 0.46902562430676 0.12500000000000 107.868 > 97 99 Ag 0.66666666666667 0.46902562430676 0.12500000000000 107.868 > 97 100 Ag 0.00000000000000 0.46902562430676 0.62500000000000 107.868 > 97 101 Ag 0.33333333333333 0.46902562430676 0.62500000000000 107.868 > 97 102 Ag 0.66666666666667 0.46902562430676 0.62500000000000 107.868 > 97 103 Ag 0.16666666666667 0.03097437569324 0.37500000000000 107.868 > 103 104 Ag 0.50000000000000 0.03097437569324 0.37500000000000 107.868 > 103 105 Ag 0.83333333333333 0.03097437569324 0.37500000000000 107.868 > 103 106 Ag 0.16666666666667 0.03097437569324 0.87500000000000 107.868 > 103 107 Ag 0.50000000000000 0.03097437569324 0.87500000000000 107.868 > 103 108 Ag 0.83333333333333 0.03097437569324 0.87500000000000 107.868 > 103 109 Ag 0.16666666666667 0.96902562430676 0.12500000000000 107.868 > 97 110 Ag 0.50000000000000 0.96902562430676 0.12500000000000 107.868 > 97 111 Ag 0.83333333333333 0.96902562430676 0.12500000000000 107.868 > 97 112 Ag 0.16666666666667 0.96902562430676 0.62500000000000 107.868 > 97 113 Ag 0.50000000000000 0.96902562430676 0.62500000000000 107.868 > 97 114 Ag 0.83333333333333 0.96902562430676 0.62500000000000 107.868 > 97 115 Ag 0.00000000000000 0.53097437569324 0.37500000000000 107.868 > 103 116 Ag 0.33333333333333 0.53097437569324 0.37500000000000 107.868 > 103 117 Ag 0.66666666666667 0.53097437569324 0.37500000000000 107.868 > 103 118 Ag 0.00000000000000 0.53097437569324 0.87500000000000 107.868 > 103 119 Ag 0.33333333333333 0.53097437569324 0.87500000000000 107.868 > 103 120 Ag 0.66666666666667 0.53097437569324 0.87500000000000 107.868 > 103 121 Ba 0.16666666666667 0.25127147253590 0.12500000000000 137.327 > 121 122 Ba 0.50000000000000 0.25127147253590 0.12500000000000 137.327 > 121 123 Ba 0.83333333333333 0.25127147253590 0.12500000000000 137.327 > 121 124 Ba 0.16666666666667 0.25127147253590 0.62500000000000 137.327 > 121 125 Ba 0.50000000000000 0.25127147253590 0.62500000000000 137.327 > 121 126 Ba 0.83333333333333 0.25127147253590 0.62500000000000 137.327 > 121 127 Ba 0.00000000000000 0.24872852746410 0.37500000000000 137.327 > 127 128 Ba 0.33333333333333 0.24872852746410 0.37500000000000 137.327 > 127 129 Ba 0.66666666666667 0.24872852746410 0.37500000000000 137.327 > 127 130 Ba 0.00000000000000 0.24872852746410 0.87500000000000 137.327 > 127 131 Ba 0.33333333333333 0.24872852746410 0.87500000000000 137.327 > 127 132 Ba 0.66666666666667 0.24872852746410 0.87500000000000 137.327 > 127 133 Ba 0.00000000000000 0.75127147253590 0.12500000000000 137.327 > 121 134 Ba 0.33333333333333 0.75127147253590 0.12500000000000 137.327 > 121 135 Ba 0.66666666666667 0.75127147253590 0.12500000000000 137.327 > 121 136 Ba 0.00000000000000 0.75127147253590 0.62500000000000 137.327 > 121 137 Ba 0.33333333333333 0.75127147253590 0.62500000000000 137.327 > 121 138 Ba 0.66666666666667 0.75127147253590 0.62500000000000 137.327 > 121 139 Ba 0.16666666666667 0.74872852746410 0.37500000000000 137.327 > 127 140 Ba 0.50000000000000 0.74872852746410 0.37500000000000 137.327 > 127 141 Ba 0.83333333333333 0.74872852746410 0.37500000000000 137.327 > 127 142 Ba 0.16666666666667 0.74872852746410 0.87500000000000 137.327 > 127 143 Ba 0.50000000000000 0.74872852746410 0.87500000000000 137.327 > 127 144 Ba 0.83333333333333 0.74872852746410 0.87500000000000 137.327 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.5896237 0.0000000 0.0000000 0.0000000 7.1913555 0.0000000 0.0000000 0.0000000 8.2778574 -------------------------- Born effective charges -------------------------- 1 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 -0.1986532 0.0000000 -0.2952182 -2.2693553 2 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 -0.1986532 0.0000000 -0.2952182 -2.2693553 3 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 0.1986532 0.0000000 0.2952182 -2.2693553 4 Se -2.0897121 0.0000000 0.0000000 0.0000000 -2.0287448 0.0000000 0.0000000 0.0000000 -3.2118949 5 Se -2.0897121 0.0000000 0.0000000 0.0000000 -2.0287448 0.0000000 0.0000000 0.0000000 -3.2118949 6 Se -2.9700849 0.0000000 0.0000000 0.0000000 -2.2512937 0.1986532 0.0000000 0.2952182 -2.2693553 7 Y 4.7170642 0.0000000 0.0000000 0.0000000 2.4967348 -0.0726013 0.0000000 -0.1086675 4.4659990 8 Y 4.7170642 0.0000000 0.0000000 0.0000000 2.4967348 0.0726013 0.0000000 0.1086675 4.4659990 9 Ag 0.6137255 0.0000000 0.0000000 0.0000000 0.4547634 0.0000000 0.0000000 0.0000000 0.5581521 10 Ag 0.6137255 0.0000000 0.0000000 0.0000000 0.4547634 0.0000000 0.0000000 0.0000000 0.5581521 11 Ba 2.6990923 0.0000000 0.0000000 0.0000000 3.5798340 0.0000000 0.0000000 0.0000000 2.7264543 12 Ba 2.6990923 0.0000000 0.0000000 0.0000000 3.5798340 0.0000000 0.0000000 0.0000000 2.7264543 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (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 5 ] 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: 0.61, Number of G-points: 299, Lambda: 0.18 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 8.58e-05 8.58e-05 6.24e-05 6.24e-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 1.355 ( 0.000 0.000 0.000) 0.000 1.441 ( 0.000 0.000 0.000) 0.000 1.624 ( 0.000 0.000 0.000) 0.000 1.759 ( 0.000 0.000 0.000) 0.000 1.833 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 0.000) 0.000 2.137 ( 0.000 0.000 0.000) 0.000 2.322 ( 0.000 0.000 0.000) 0.000 2.396 ( 0.000 0.000 0.000) 0.000 2.493 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.563 ( 0.000 0.000 0.000) 0.000 3.684 ( 0.000 0.000 0.000) 0.000 3.801 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.444 ( 0.000 0.000 0.000) 0.000 4.860 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.926 ( 0.000 0.000 0.000) 0.000 4.958 ( 0.000 0.000 0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.314 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.815 ( 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 19.696 -3.299 0.000) 19.970 0.467 ( 25.465 6.826 0.000) 26.364 0.810 ( 34.821 -16.077 0.000) 38.353 1.403 ( 4.526 0.074 0.000) 4.527 1.523 ( 7.425 -0.257 0.000) 7.430 1.638 ( 2.042 0.510 0.000) 2.104 1.700 ( -4.362 0.641 0.000) 4.409 1.925 ( 8.243 0.476 0.000) 8.257 2.080 ( -0.306 0.519 0.000) 0.603 2.225 ( 10.905 4.004 0.000) 11.617 2.301 ( -1.690 1.052 0.000) 1.991 2.403 ( 0.053 -2.951 0.000) 2.951 2.524 ( 3.697 1.282 0.000) 3.913 2.559 ( 1.486 0.319 0.000) 1.519 2.620 ( -1.943 -0.626 0.000) 2.041 2.724 ( -0.323 1.092 0.000) 1.138 3.012 ( -3.500 -5.398 0.000) 6.433 3.452 ( 2.502 0.475 0.000) 2.547 3.577 ( 1.387 -0.395 0.000) 1.442 3.742 ( 3.430 -0.322 0.000) 3.445 3.889 ( 3.721 0.042 0.000) 3.722 4.152 ( 1.471 -0.770 0.000) 1.660 4.239 ( -3.235 -0.292 0.000) 3.248 4.419 ( -2.721 -0.294 0.000) 2.736 4.828 ( 0.663 8.300 0.000) 8.327 4.878 ( 0.406 1.227 0.000) 1.293 4.909 ( -1.675 -0.656 0.000) 1.799 4.953 ( 3.528 3.712 0.000) 5.121 5.021 ( 3.102 4.307 0.000) 5.308 5.192 ( -3.809 -1.996 0.000) 4.300 5.292 ( -0.682 3.113 0.000) 3.187 5.345 ( -1.230 -1.277 0.000) 1.773 5.352 ( 0.597 2.377 0.000) 2.451 5.466 ( -2.632 -3.026 0.000) 4.010 5.741 ( 0.203 11.173 0.000) 11.175 6.048 ( -4.541 -8.587 0.000) 9.714 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( 18.277 -3.366 0.000) 18.585 0.917 ( 24.055 7.117 0.000) 25.086 1.511 ( 24.937 -11.764 0.000) 27.573 1.513 ( 6.356 0.714 0.000) 6.396 1.622 ( -2.121 1.852 0.000) 2.816 1.672 ( 6.716 2.601 0.000) 7.202 1.727 ( 7.076 -1.535 0.000) 7.241 2.053 ( -1.840 0.188 0.000) 1.849 2.135 ( 13.264 1.484 0.000) 13.346 2.262 ( 0.093 1.268 0.000) 1.271 2.384 ( 2.871 1.180 0.000) 3.104 2.504 ( 8.637 2.309 0.000) 8.941 2.561 ( -1.635 -0.566 0.000) 1.730 2.597 ( 2.687 -3.494 0.000) 4.407 2.622 ( 6.185 -0.290 0.000) 6.192 2.739 ( 3.169 3.273 0.000) 4.556 2.969 ( -2.681 -3.323 0.000) 4.270 3.509 ( 3.205 0.492 0.000) 3.242 3.621 ( 2.168 -1.869 0.000) 2.862 3.752 ( -1.793 -0.109 0.000) 1.796 4.032 ( 8.731 -0.323 0.000) 8.736 4.160 ( -4.587 -0.519 0.000) 4.616 4.197 ( 2.496 -0.626 0.000) 2.574 4.335 ( -6.222 -0.818 0.000) 6.275 4.793 ( -0.383 7.083 0.000) 7.094 4.858 ( -1.910 0.755 0.000) 2.054 4.897 ( 0.520 0.127 0.000) 0.535 4.957 ( -7.610 -2.708 0.000) 8.078 5.009 ( -1.256 1.547 0.000) 1.993 5.126 ( 1.668 0.325 0.000) 1.700 5.271 ( -0.647 1.062 0.000) 1.244 5.344 ( 0.039 3.558 0.000) 3.558 5.359 ( 1.514 -1.259 0.000) 1.969 5.435 ( -1.941 -3.905 0.000) 4.361 5.670 ( -1.800 5.728 0.000) 6.004 5.995 ( -3.357 0.246 0.000) 3.366 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( 14.849 -2.989 0.000) 15.147 1.321 ( 20.915 7.524 0.000) 22.227 1.602 ( 0.937 1.021 0.000) 1.386 1.627 ( 5.604 1.630 0.000) 5.836 1.770 ( 5.821 5.026 0.000) 7.690 1.822 ( 3.793 0.596 0.000) 3.839 1.862 ( 4.688 -0.341 0.000) 4.700 2.016 ( -1.750 -0.565 0.000) 1.839 2.228 ( 2.240 1.377 0.000) 2.630 2.398 ( -1.519 -0.410 0.000) 1.573 2.477 ( 0.906 -3.504 0.000) 3.620 2.508 ( -0.145 0.406 0.000) 0.431 2.610 ( 17.628 -2.662 0.000) 17.828 2.732 ( 3.332 -3.149 0.000) 4.585 2.797 ( 6.156 2.716 0.000) 6.728 2.873 ( 16.638 0.719 0.000) 16.654 2.996 ( 3.618 -4.711 0.000) 5.940 3.558 ( 1.483 0.061 0.000) 1.484 3.669 ( 0.923 -2.410 0.000) 2.581 3.707 ( -2.096 -0.157 0.000) 2.102 4.085 ( -2.827 -0.633 0.000) 2.897 4.183 ( 1.564 -0.692 0.000) 1.710 4.190 ( -4.315 -1.116 0.000) 4.457 4.249 ( 2.180 0.318 0.000) 2.203 4.603 ( -15.692 -0.118 0.000) 15.693 4.819 ( -1.454 0.395 0.000) 1.507 4.853 ( -0.415 0.289 0.000) 0.506 4.906 ( 0.180 0.333 0.000) 0.378 5.020 ( 0.992 0.403 0.000) 1.071 5.165 ( 1.303 1.946 0.000) 2.342 5.262 ( 0.786 1.235 0.000) 1.464 5.309 ( -1.962 0.662 0.000) 2.070 5.392 ( 0.959 -0.400 0.000) 1.039 5.447 ( 1.655 -0.008 0.000) 1.655 5.621 ( -0.433 2.353 0.000) 2.392 5.916 ( -3.248 3.968 0.000) 5.128 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 7.974 -1.154 0.000) 8.057 1.623 ( 0.395 -1.004 0.000) 1.079 1.636 ( 14.906 7.482 0.000) 16.678 1.737 ( 7.415 1.547 0.000) 7.575 1.752 ( -3.043 8.624 0.000) 9.145 1.823 ( -1.030 4.334 0.000) 4.454 1.943 ( 5.709 3.364 0.000) 6.626 1.996 ( -0.836 -1.354 0.000) 1.592 2.296 ( 4.455 -1.377 0.000) 4.663 2.323 ( -5.300 0.296 0.000) 5.308 2.446 ( -2.683 -4.292 0.000) 5.062 2.550 ( 3.606 -0.078 0.000) 3.607 2.697 ( -2.990 -4.437 0.000) 5.350 2.861 ( 2.478 -0.313 0.000) 2.498 3.120 ( 10.805 -4.526 0.000) 11.715 3.146 ( 10.352 1.985 0.000) 10.540 3.163 ( 16.801 -4.118 0.000) 17.298 3.554 ( -2.310 -0.848 0.000) 2.461 3.673 ( -1.851 -1.681 0.000) 2.500 3.705 ( 2.754 -0.289 0.000) 2.769 4.028 ( -6.948 -0.691 0.000) 6.982 4.076 ( 1.884 -0.630 0.000) 1.986 4.199 ( -9.604 0.047 0.000) 9.604 4.283 ( 3.540 -0.800 0.000) 3.629 4.382 ( -2.467 -0.172 0.000) 2.473 4.799 ( -0.441 0.322 0.000) 0.546 4.864 ( 1.071 0.430 0.000) 1.154 4.893 ( -1.379 -0.040 0.000) 1.379 5.035 ( 0.767 0.091 0.000) 0.773 5.153 ( -1.085 0.882 0.000) 1.399 5.270 ( -1.885 -0.801 0.000) 2.048 5.273 ( 0.626 2.003 0.000) 2.098 5.403 ( -0.168 -0.717 0.000) 0.736 5.482 ( 2.058 2.014 0.000) 2.879 5.619 ( 0.712 0.851 0.000) 1.110 5.827 ( -2.673 5.054 0.000) 5.717 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 2.563 0.520 0.000) 2.615 1.611 ( -4.474 7.209 0.000) 8.484 1.621 ( -1.022 -1.549 0.000) 1.856 1.754 ( -1.732 3.474 0.000) 3.882 1.824 ( 6.933 5.845 0.000) 9.068 1.897 ( 8.309 0.502 0.000) 8.324 1.993 ( -0.293 -1.017 0.000) 1.059 2.035 ( 4.666 1.986 0.000) 5.072 2.206 ( -6.141 -0.010 0.000) 6.141 2.399 ( 4.069 -1.828 0.000) 4.461 2.447 ( 0.731 -2.359 0.000) 2.469 2.625 ( 3.496 0.343 0.000) 3.512 2.646 ( -4.512 -4.340 0.000) 6.261 2.879 ( -0.314 -0.427 0.000) 0.530 3.243 ( 1.327 -5.372 0.000) 5.534 3.245 ( 1.984 1.368 0.000) 2.410 3.479 ( 9.766 -0.026 0.000) 9.766 3.484 ( -4.406 -0.990 0.000) 4.516 3.633 ( -1.920 -0.750 0.000) 2.062 3.816 ( 6.605 0.014 0.000) 6.605 3.939 ( -2.502 -0.093 0.000) 2.504 4.018 ( -5.518 0.136 0.000) 5.520 4.177 ( 6.079 -1.061 0.000) 6.171 4.341 ( 1.963 -0.657 0.000) 2.070 4.387 ( 1.057 0.929 0.000) 1.407 4.794 ( 0.059 0.164 0.000) 0.175 4.857 ( -2.036 -0.177 0.000) 2.044 4.882 ( 0.605 -0.492 0.000) 0.779 5.051 ( 0.676 -0.485 0.000) 0.832 5.131 ( -0.356 0.260 0.000) 0.441 5.246 ( -0.997 -0.810 0.000) 1.285 5.248 ( -2.090 1.876 0.000) 2.809 5.395 ( -0.709 -0.511 0.000) 0.874 5.498 ( 0.811 1.706 0.000) 1.889 5.626 ( 0.330 0.588 0.000) 0.674 5.765 ( -0.934 3.216 0.000) 3.349 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( 0.000 -0.000 0.000) 0.000 1.537 ( 0.000 -0.000 0.000) 0.000 1.614 ( 0.000 -0.000 0.000) 0.000 1.723 ( 0.000 -0.000 0.000) 0.000 1.872 ( 0.000 -0.000 0.000) 0.000 1.985 ( 0.000 -0.000 0.000) 0.000 2.021 ( -0.000 -0.000 0.000) 0.000 2.081 ( 0.000 -0.000 0.000) 0.000 2.111 ( 0.000 -0.000 0.000) 0.000 2.446 ( 0.000 -0.000 0.000) 0.000 2.477 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 -0.000 0.000) 0.000 2.662 ( 0.000 -0.000 0.000) 0.000 2.873 ( 0.000 -0.000 0.000) 0.000 3.256 ( 0.000 -0.000 0.000) 0.000 3.261 ( 0.000 -0.000 0.000) 0.000 3.436 ( 0.000 -0.000 0.000) 0.000 3.565 ( 0.000 -0.000 0.000) 0.000 3.622 ( 0.000 -0.000 0.000) 0.000 3.892 ( 0.000 -0.000 0.000) 0.000 3.917 ( 0.000 -0.000 0.000) 0.000 3.968 ( 0.000 -0.000 0.000) 0.000 4.260 ( 0.000 -0.000 0.000) 0.000 4.364 ( 0.000 -0.000 0.000) 0.000 4.395 ( 0.000 -0.000 0.000) 0.000 4.795 ( 0.000 -0.000 0.000) 0.000 4.833 ( 0.000 -0.000 0.000) 0.000 4.890 ( 0.000 -0.000 0.000) 0.000 5.060 ( 0.000 -0.000 0.000) 0.000 5.138 ( -0.000 0.000 0.000) 0.000 5.200 ( 0.000 -0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.390 ( 0.000 -0.000 0.000) 0.000 5.500 ( 0.000 -0.000 0.000) 0.000 5.627 ( 0.000 -0.000 0.000) 0.000 5.748 ( 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 18.774 -0.000 0.000) 18.774 0.973 ( 23.421 -0.000 0.000) 23.421 1.428 ( 28.866 -0.000 0.000) 28.866 1.518 ( 6.514 -0.000 0.000) 6.514 1.633 ( -2.298 0.000 0.000) 2.298 1.690 ( 8.384 -0.000 0.000) 8.384 1.715 ( 5.713 -0.000 0.000) 5.713 2.054 ( -2.002 0.000 0.000) 2.002 2.143 ( 14.128 -0.000 0.000) 14.128 2.271 ( -1.611 0.000 0.000) 1.611 2.392 ( 0.218 -0.000 0.000) 0.218 2.527 ( 17.054 -0.000 0.000) 17.054 2.557 ( -1.979 0.000 0.000) 1.979 2.566 ( -3.112 0.000 0.000) 3.112 2.619 ( 5.352 -0.000 0.000) 5.352 2.760 ( 3.901 -0.000 0.000) 3.901 2.947 ( -2.758 0.000 0.000) 2.758 3.512 ( 3.078 -0.000 0.000) 3.078 3.609 ( 1.968 -0.000 0.000) 1.968 3.751 ( -1.741 0.000 0.000) 1.741 4.030 ( 8.663 -0.000 0.000) 8.663 4.157 ( -4.566 0.000 0.000) 4.566 4.193 ( 2.772 -0.000 0.000) 2.772 4.330 ( -6.284 0.000 0.000) 6.284 4.844 ( 0.196 -0.000 0.000) 0.196 4.863 ( -2.389 0.000 0.000) 2.389 4.897 ( 0.906 -0.000 0.000) 0.906 4.932 ( -10.681 0.000 0.000) 10.681 5.020 ( -3.950 0.000 0.000) 3.950 5.127 ( 4.435 -0.000 0.000) 4.435 5.279 ( -1.226 0.000 0.000) 1.226 5.350 ( 2.261 -0.000 0.000) 2.261 5.388 ( -3.848 0.000 0.000) 3.848 5.389 ( 2.249 -0.000 0.000) 2.249 5.707 ( -4.055 0.000 0.000) 4.055 5.995 ( -1.499 0.000 0.000) 1.499 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 15.603 -1.052 0.000) 15.638 1.396 ( 20.420 3.949 0.000) 20.798 1.610 ( -0.072 0.348 0.000) 0.355 1.641 ( 5.888 0.579 0.000) 5.916 1.801 ( 7.824 0.208 0.000) 7.827 1.822 ( 5.471 0.104 0.000) 5.472 1.858 ( 7.416 0.168 0.000) 7.418 2.011 ( -2.129 -0.207 0.000) 2.139 2.244 ( -0.165 0.991 0.000) 1.005 2.394 ( -1.020 -0.197 0.000) 1.039 2.442 ( 2.895 -1.818 0.000) 3.418 2.513 ( -0.961 0.289 0.000) 1.003 2.596 ( 17.903 -0.150 0.000) 17.903 2.697 ( 0.529 -2.093 0.000) 2.158 2.842 ( 4.866 3.688 0.000) 6.106 2.877 ( 17.469 0.149 0.000) 17.470 2.941 ( 2.838 -3.937 0.000) 4.853 3.558 ( 1.208 0.048 0.000) 1.208 3.648 ( 1.323 -0.957 0.000) 1.633 3.706 ( -2.175 -0.071 0.000) 2.176 4.079 ( -2.765 -0.215 0.000) 2.774 4.177 ( -5.955 -0.247 0.000) 5.960 4.180 ( 3.311 -0.412 0.000) 3.336 4.251 ( 2.587 0.074 0.000) 2.588 4.603 ( -17.697 0.025 0.000) 17.697 4.823 ( -1.504 0.175 0.000) 1.514 4.855 ( 0.637 0.033 0.000) 0.638 4.908 ( -0.006 0.092 0.000) 0.093 5.023 ( 0.974 0.143 0.000) 0.985 5.180 ( 0.496 0.634 0.000) 0.805 5.274 ( 1.272 0.557 0.000) 1.389 5.314 ( -3.174 0.247 0.000) 3.183 5.389 ( 1.027 -0.189 0.000) 1.044 5.447 ( 3.194 -0.005 0.000) 3.194 5.641 ( -1.787 0.884 0.000) 1.994 5.950 ( -2.696 1.555 0.000) 3.113 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 9.194 -0.672 0.000) 9.219 1.614 ( -0.141 -0.600 0.000) 0.616 1.715 ( 13.785 5.240 0.000) 14.747 1.753 ( 6.734 1.053 0.000) 6.815 1.831 ( -2.973 4.087 0.000) 5.054 1.860 ( 0.405 2.080 0.000) 2.119 1.982 ( -0.994 -0.924 0.000) 1.357 1.987 ( 6.402 3.690 0.000) 7.389 2.273 ( 2.670 -2.515 0.000) 3.668 2.325 ( -5.324 0.111 0.000) 5.325 2.412 ( -1.879 -1.257 0.000) 2.260 2.550 ( 3.866 0.082 0.000) 3.867 2.645 ( -4.297 -3.680 0.000) 5.657 2.872 ( 2.647 1.910 0.000) 3.264 3.060 ( 6.478 -4.907 0.000) 8.127 3.125 ( 21.995 -2.165 0.000) 22.101 3.164 ( 10.425 1.073 0.000) 10.480 3.546 ( -2.698 -0.486 0.000) 2.742 3.657 ( -1.147 -0.876 0.000) 1.444 3.702 ( 2.815 -0.180 0.000) 2.820 4.022 ( -6.520 -0.388 0.000) 6.532 4.071 ( 2.024 -0.329 0.000) 2.051 4.199 ( -10.509 -0.035 0.000) 10.509 4.275 ( 3.582 -0.463 0.000) 3.612 4.381 ( -1.157 -0.110 0.000) 1.162 4.802 ( -0.497 0.250 0.000) 0.557 4.868 ( 0.644 0.228 0.000) 0.683 4.892 ( -1.551 -0.080 0.000) 1.553 5.036 ( 0.499 0.125 0.000) 0.514 5.161 ( -1.395 0.488 0.000) 1.478 5.263 ( -2.065 -0.393 0.000) 2.103 5.293 ( 0.478 1.326 0.000) 1.409 5.394 ( -0.365 -0.638 0.000) 0.735 5.500 ( 2.198 1.090 0.000) 2.453 5.627 ( 0.385 0.548 0.000) 0.670 5.876 ( -3.246 2.904 0.000) 4.356 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 3.201 0.611 0.000) 3.259 1.603 ( -1.177 -1.368 0.000) 1.804 1.698 ( -5.849 6.637 0.000) 8.847 1.792 ( -3.001 2.911 0.000) 4.181 1.881 ( 3.100 3.472 0.000) 4.654 1.903 ( 8.143 0.516 0.000) 8.159 1.982 ( 0.216 -0.905 0.000) 0.931 2.059 ( 3.138 2.159 0.000) 3.809 2.206 ( -6.396 -0.036 0.000) 6.396 2.361 ( 3.429 -4.110 0.000) 5.353 2.436 ( 3.613 0.082 0.000) 3.614 2.597 ( -2.617 -3.642 0.000) 4.485 2.628 ( 3.489 0.281 0.000) 3.500 2.880 ( -0.270 0.641 0.000) 0.696 3.173 ( 2.229 -5.851 0.000) 6.261 3.260 ( 1.276 1.045 0.000) 1.649 3.474 ( -4.055 -0.763 0.000) 4.127 3.486 ( 11.878 0.918 0.000) 11.913 3.625 ( -1.670 -0.564 0.000) 1.763 3.816 ( 6.757 -0.003 0.000) 6.757 3.938 ( -2.331 -0.056 0.000) 2.331 4.019 ( -5.622 -0.004 0.000) 5.622 4.166 ( 6.309 -0.776 0.000) 6.357 4.334 ( 2.191 -0.482 0.000) 2.244 4.396 ( 0.902 0.571 0.000) 1.067 4.796 ( -0.043 0.180 0.000) 0.186 4.855 ( -2.000 -0.184 0.000) 2.009 4.877 ( 0.360 -0.279 0.000) 0.455 5.047 ( 0.640 -0.226 0.000) 0.678 5.134 ( -0.871 0.220 0.000) 0.899 5.238 ( -0.727 -0.537 0.000) 0.903 5.267 ( -2.400 1.216 0.000) 2.691 5.389 ( -0.393 -0.538 0.000) 0.666 5.516 ( 0.137 1.185 0.000) 1.193 5.632 ( 0.155 0.454 0.000) 0.480 5.799 ( -2.579 2.428 0.000) 3.542 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.602 0.656 0.000) 0.891 1.559 ( -3.864 3.445 0.000) 5.177 1.610 ( 1.256 -0.766 0.000) 1.471 1.722 ( -2.454 -0.144 0.000) 2.458 1.858 ( -4.123 -2.053 0.000) 4.605 1.987 ( 0.430 0.276 0.000) 0.511 2.021 ( -0.646 -0.119 0.000) 0.657 2.075 ( -1.786 -1.138 0.000) 2.118 2.110 ( 0.626 -0.077 0.000) 0.631 2.426 ( 1.103 -1.893 0.000) 2.191 2.499 ( 1.626 2.510 0.000) 2.991 2.603 ( 3.020 0.000 0.000) 3.020 2.662 ( -0.331 -0.012 0.000) 0.331 2.877 ( 0.542 0.524 0.000) 0.754 3.242 ( 2.798 -2.803 0.000) 3.961 3.256 ( -0.793 0.023 0.000) 0.793 3.436 ( 0.702 0.023 0.000) 0.702 3.579 ( 0.149 1.974 0.000) 1.979 3.624 ( 0.674 0.484 0.000) 0.830 3.892 ( -0.144 -0.035 0.000) 0.148 3.917 ( 0.004 0.028 0.000) 0.028 3.967 ( -0.185 -0.194 0.000) 0.268 4.259 ( 0.792 -0.116 0.000) 0.800 4.364 ( 0.481 0.006 0.000) 0.481 4.395 ( -0.793 -0.069 0.000) 0.796 4.796 ( -0.084 0.003 0.000) 0.084 4.833 ( 0.136 -0.001 0.000) 0.136 4.890 ( 0.652 -0.086 0.000) 0.657 5.061 ( 0.526 0.152 0.000) 0.547 5.134 ( 0.524 -0.685 0.000) 0.862 5.203 ( -2.214 0.466 0.000) 2.263 5.239 ( 0.550 -0.040 0.000) 0.551 5.389 ( 0.238 -0.087 0.000) 0.254 5.500 ( -1.132 0.030 0.000) 1.133 5.627 ( -0.462 0.015 0.000) 0.463 5.749 ( -1.804 0.150 0.000) 1.811 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -2.317 -0.323 0.000) 2.339 1.538 ( 1.486 -4.667 0.000) 4.898 1.638 ( 1.356 1.348 0.000) 1.912 1.707 ( -0.602 -4.660 0.000) 4.699 1.752 ( -9.091 -5.596 0.000) 10.676 1.891 ( -8.416 -0.375 0.000) 8.424 2.005 ( 0.756 0.870 0.000) 1.152 2.007 ( -5.739 -2.854 0.000) 6.410 2.206 ( 5.822 -0.039 0.000) 5.822 2.411 ( -3.556 0.680 0.000) 3.620 2.490 ( 1.548 4.588 0.000) 4.842 2.621 ( -3.416 -0.288 0.000) 3.428 2.689 ( 4.977 2.416 0.000) 5.533 2.892 ( 1.344 1.907 0.000) 2.333 3.229 ( -2.826 -1.323 0.000) 3.120 3.287 ( -0.460 1.751 0.000) 1.810 3.494 ( -8.338 2.461 0.000) 8.693 3.496 ( 4.770 0.952 0.000) 4.864 3.642 ( 2.544 0.813 0.000) 2.671 3.816 ( -6.419 -0.037 0.000) 6.419 3.940 ( 2.694 0.111 0.000) 2.696 4.016 ( 5.511 -0.265 0.000) 5.517 4.191 ( -5.657 1.135 0.000) 5.770 4.349 ( -1.702 0.656 0.000) 1.824 4.375 ( -1.337 -1.139 0.000) 1.756 4.793 ( -0.127 -0.088 0.000) 0.154 4.859 ( 2.033 0.109 0.000) 2.035 4.888 ( -0.777 0.639 0.000) 1.006 5.059 ( -0.555 0.859 0.000) 1.023 5.128 ( -0.268 -0.217 0.000) 0.345 5.223 ( 1.747 -2.414 0.000) 2.980 5.257 ( 1.461 0.938 0.000) 1.736 5.400 ( 0.939 0.305 0.000) 0.988 5.477 ( -1.743 -1.847 0.000) 2.540 5.618 ( -0.478 -0.607 0.000) 0.773 5.727 ( -1.072 -3.011 0.000) 3.196 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( -6.183 1.310 0.000) 6.321 1.547 ( -15.052 -7.114 0.000) 16.648 1.636 ( -1.133 1.027 0.000) 1.529 1.641 ( 2.687 -9.527 0.000) 9.899 1.719 ( -8.562 -1.397 0.000) 8.676 1.756 ( 1.349 -6.775 0.000) 6.908 1.907 ( -5.484 -2.817 0.000) 6.166 2.013 ( 0.734 1.316 0.000) 1.506 2.311 ( -5.027 1.298 0.000) 5.192 2.318 ( 5.160 -0.514 0.000) 5.185 2.507 ( 2.833 5.647 0.000) 6.318 2.553 ( -2.982 0.460 0.000) 3.017 2.738 ( 0.987 2.184 0.000) 2.396 2.884 ( -1.081 3.571 0.000) 3.731 3.118 ( -10.519 -2.512 0.000) 10.815 3.165 ( -12.888 3.221 0.000) 13.285 3.215 ( -13.798 4.166 0.000) 14.413 3.566 ( 1.901 0.992 0.000) 2.144 3.696 ( 2.590 2.104 0.000) 3.337 3.709 ( -2.712 0.289 0.000) 2.728 4.037 ( 7.543 0.830 0.000) 7.589 4.086 ( -1.641 0.989 0.000) 1.916 4.197 ( 8.133 -0.341 0.000) 8.140 4.294 ( -3.482 0.921 0.000) 3.602 4.385 ( 4.580 0.168 0.000) 4.583 4.795 ( 0.390 -0.219 0.000) 0.447 4.858 ( -1.910 -0.522 0.000) 1.980 4.893 ( 1.119 -0.089 0.000) 1.122 5.035 ( -1.218 0.220 0.000) 1.238 5.140 ( 0.476 -1.196 0.000) 1.287 5.248 ( -0.511 -2.167 0.000) 2.226 5.282 ( 1.620 1.235 0.000) 2.037 5.410 ( -0.005 0.535 0.000) 0.535 5.453 ( -1.841 -2.646 0.000) 3.223 5.608 ( -1.192 -0.823 0.000) 1.449 5.760 ( 1.993 -5.914 0.000) 6.240 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -13.458 4.479 0.000) 14.184 1.238 ( -19.638 -5.623 0.000) 20.427 1.586 ( -2.794 -1.750 0.000) 3.297 1.604 ( -5.239 -2.299 0.000) 5.721 1.693 ( -3.517 -7.372 0.000) 8.168 1.801 ( -1.158 -3.239 0.000) 3.440 1.851 ( -2.182 -2.217 0.000) 3.111 2.024 ( 1.238 0.828 0.000) 1.489 2.218 ( -3.964 -0.206 0.000) 3.969 2.402 ( 2.465 0.025 0.000) 2.465 2.508 ( -1.031 0.599 0.000) 1.193 2.519 ( -0.794 3.378 0.000) 3.471 2.653 ( -14.845 3.808 0.000) 15.326 2.757 ( -9.072 1.172 0.000) 9.148 2.799 ( -7.836 3.201 0.000) 8.464 2.858 ( -15.546 -1.774 0.000) 15.647 3.047 ( -3.788 3.756 0.000) 5.334 3.558 ( -1.951 0.084 0.000) 1.953 3.701 ( -0.611 2.754 0.000) 2.821 3.709 ( 1.963 0.127 0.000) 1.967 4.094 ( 2.957 1.022 0.000) 3.129 4.193 ( -4.597 0.944 0.000) 4.693 4.206 ( 7.523 1.544 0.000) 7.680 4.243 ( -1.492 -0.751 0.000) 1.670 4.608 ( 12.435 0.712 0.000) 12.455 4.814 ( 1.392 -0.345 0.000) 1.434 4.846 ( 2.023 -1.034 0.000) 2.272 4.900 ( -0.533 -0.644 0.000) 0.836 5.013 ( -1.064 -0.637 0.000) 1.240 5.135 ( -2.697 -3.065 0.000) 4.082 5.248 ( 0.089 -0.935 0.000) 0.939 5.299 ( 0.164 -0.876 0.000) 0.891 5.397 ( -0.950 0.271 0.000) 0.988 5.447 ( 0.721 -0.001 0.000) 0.721 5.588 ( -1.644 -3.021 0.000) 3.440 5.862 ( 4.524 -4.887 0.000) 6.660 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -21.180 -2.113 0.000) 21.285 0.867 ( -17.061 5.949 0.000) 18.068 1.500 ( -5.995 -1.526 0.000) 6.186 1.590 ( 1.534 -3.511 0.000) 3.831 1.632 ( -5.180 -2.441 0.000) 5.726 1.657 ( -15.827 9.376 0.000) 18.396 1.750 ( -7.892 2.515 0.000) 8.283 2.050 ( 1.408 -0.159 0.000) 1.417 2.108 ( -11.592 -2.770 0.000) 11.918 2.253 ( -5.354 0.118 0.000) 5.355 2.369 ( -7.873 -1.048 0.000) 7.943 2.480 ( -3.215 -1.720 0.000) 3.646 2.563 ( -0.286 -0.918 0.000) 0.962 2.621 ( -7.843 -0.344 0.000) 7.851 2.635 ( -3.039 2.802 0.000) 4.133 2.700 ( -1.803 -2.192 0.000) 2.838 3.013 ( 2.405 3.615 0.000) 4.342 3.502 ( -3.556 -0.747 0.000) 3.634 3.648 ( -2.723 2.440 0.000) 3.656 3.753 ( 1.919 0.121 0.000) 1.923 4.037 ( -8.900 0.586 0.000) 8.919 4.169 ( 4.578 0.982 0.000) 4.683 4.207 ( -1.654 0.980 0.000) 1.923 4.349 ( 6.040 1.391 0.000) 6.198 4.694 ( -3.845 -9.081 0.000) 9.861 4.847 ( 0.940 -1.078 0.000) 1.431 4.893 ( 0.204 -0.438 0.000) 0.483 4.969 ( 2.545 -1.311 0.000) 2.862 5.003 ( -0.236 1.279 0.000) 1.300 5.118 ( 3.707 -1.074 0.000) 3.860 5.259 ( 0.140 -0.751 0.000) 0.764 5.304 ( -0.583 -2.994 0.000) 3.050 5.374 ( -0.704 0.992 0.000) 1.217 5.480 ( 3.301 3.602 0.000) 4.886 5.589 ( -1.320 -7.175 0.000) 7.295 5.988 ( 6.453 -0.911 0.000) 6.517 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -15.722 7.737 0.000) 17.523 0.484 ( -16.927 8.045 0.000) 18.742 1.061 ( -28.766 23.340 0.000) 37.044 1.400 ( -4.241 -0.442 0.000) 4.264 1.528 ( -6.840 0.529 0.000) 6.860 1.631 ( -2.136 -0.391 0.000) 2.172 1.682 ( 5.380 -2.435 0.000) 5.905 1.914 ( -8.200 -1.421 0.000) 8.323 2.066 ( -1.685 -1.983 0.000) 2.602 2.164 ( -10.036 -4.949 0.000) 11.189 2.276 ( 2.508 -3.131 0.000) 4.012 2.444 ( -0.228 3.122 0.000) 3.130 2.493 ( -5.647 -3.929 0.000) 6.880 2.548 ( -2.129 -1.541 0.000) 2.628 2.636 ( 1.736 1.927 0.000) 2.593 2.709 ( 1.114 -1.155 0.000) 1.604 3.096 ( 9.800 6.648 0.000) 11.841 3.442 ( -2.719 -1.225 0.000) 2.982 3.585 ( -2.182 0.850 0.000) 2.342 3.749 ( -3.038 0.790 0.000) 3.139 3.888 ( -3.988 -0.078 0.000) 3.989 4.169 ( -1.033 2.051 0.000) 2.296 4.245 ( 2.972 0.543 0.000) 3.021 4.426 ( 2.581 0.779 0.000) 2.696 4.604 ( -18.265 -23.774 0.000) 29.980 4.857 ( -0.396 -2.118 0.000) 2.154 4.918 ( 1.582 0.583 0.000) 1.686 4.920 ( -4.891 -1.138 0.000) 5.022 4.996 ( 0.190 -0.687 0.000) 0.712 5.216 ( 2.102 1.604 0.000) 2.644 5.259 ( -0.377 -1.941 0.000) 1.978 5.315 ( -0.245 -3.265 0.000) 3.274 5.357 ( -1.545 0.672 0.000) 1.685 5.517 ( 2.698 5.002 0.000) 5.683 5.622 ( -0.025 -7.840 0.000) 7.840 6.130 ( 9.282 4.299 0.000) 10.229 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.178 ( -0.000 14.767 0.000) 14.767 0.297 ( -0.000 24.719 0.000) 24.719 0.408 ( -0.000 34.032 0.000) 34.032 1.356 ( -0.000 0.079 0.000) 0.079 1.445 ( -0.000 0.654 0.000) 0.654 1.624 ( 0.000 -0.043 0.000) 0.043 1.765 ( -0.000 0.999 0.000) 0.999 1.828 ( 0.000 -0.802 0.000) 0.802 2.020 ( 0.000 -7.405 0.000) 7.405 2.118 ( 0.000 -1.859 0.000) 1.859 2.319 ( 0.000 -0.475 0.000) 0.475 2.423 ( -0.000 3.577 0.000) 3.577 2.462 ( 0.000 -5.253 0.000) 5.253 2.524 ( 0.000 -1.180 0.000) 1.180 2.646 ( -0.000 1.176 0.000) 1.176 2.731 ( 0.000 -0.623 0.000) 0.623 3.421 ( 0.000 -1.110 0.000) 1.110 3.556 ( 0.000 -1.063 0.000) 1.063 3.626 ( 0.000 -5.521 0.000) 5.521 3.690 ( -0.000 0.891 0.000) 0.891 3.803 ( -0.000 0.342 0.000) 0.342 3.864 ( 0.000 -0.206 0.000) 0.206 4.150 ( -0.000 1.529 0.000) 1.529 4.280 ( -0.000 1.332 0.000) 1.332 4.447 ( -0.000 0.436 0.000) 0.436 4.865 ( 0.000 -1.838 0.000) 1.838 4.866 ( -0.000 0.992 0.000) 0.992 4.931 ( -0.000 0.669 0.000) 0.669 5.008 ( 0.000 -0.782 0.000) 0.782 5.208 ( -0.000 0.189 0.000) 0.189 5.246 ( -0.000 0.223 0.000) 0.223 5.318 ( -0.000 0.738 0.000) 0.738 5.331 ( 0.000 -2.935 0.000) 2.935 5.517 ( -0.000 4.548 0.000) 4.548 5.653 ( 0.000 -2.510 0.000) 2.510 6.281 ( 0.000 -0.137 0.000) 0.137 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 9.624 -0.000 0.000) 9.624 1.610 ( -0.340 0.000 0.000) 0.340 1.748 ( 13.113 -0.000 0.000) 13.113 1.760 ( 6.526 -0.000 0.000) 6.526 1.852 ( -2.305 0.000 0.000) 2.305 1.874 ( 0.773 -0.000 0.000) 0.773 1.976 ( -1.076 0.000 0.000) 1.076 2.014 ( 7.052 -0.000 0.000) 7.052 2.253 ( 1.337 -0.000 0.000) 1.337 2.326 ( -5.316 0.000 0.000) 5.316 2.407 ( -1.358 0.000 0.000) 1.358 2.551 ( 3.921 -0.000 0.000) 3.921 2.622 ( -4.824 0.000 0.000) 4.824 2.889 ( 2.291 -0.000 0.000) 2.291 3.025 ( 5.562 -0.000 0.000) 5.562 3.112 ( 23.522 -0.000 0.000) 23.522 3.171 ( 10.492 -0.000 0.000) 10.492 3.543 ( -2.861 0.000 0.000) 2.861 3.652 ( -0.874 0.000 0.000) 0.874 3.701 ( 2.843 -0.000 0.000) 2.843 4.019 ( -6.365 0.000 0.000) 6.365 4.069 ( 2.066 -0.000 0.000) 2.066 4.199 ( -10.804 0.000 0.000) 10.804 4.273 ( 3.598 -0.000 0.000) 3.598 4.380 ( -0.723 0.000 0.000) 0.723 4.804 ( -0.521 0.000 0.000) 0.521 4.869 ( 0.521 -0.000 0.000) 0.521 4.892 ( -1.611 0.000 0.000) 1.611 5.037 ( 0.413 -0.000 0.000) 0.413 5.164 ( -1.492 0.000 0.000) 1.492 5.260 ( -2.129 0.000 0.000) 2.129 5.302 ( 0.407 -0.000 0.000) 0.407 5.390 ( -0.465 0.000 0.000) 0.465 5.507 ( 2.246 -0.000 0.000) 2.246 5.631 ( 0.269 -0.000 0.000) 0.269 5.893 ( -3.473 0.000 0.000) 3.473 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 3.998 0.321 0.000) 4.011 1.590 ( -1.701 -0.598 0.000) 1.803 1.754 ( -5.931 2.502 0.000) 6.437 1.819 ( -3.333 1.252 0.000) 3.561 1.908 ( 8.026 0.247 0.000) 8.030 1.909 ( 0.356 1.297 0.000) 1.345 1.973 ( 0.545 -0.392 0.000) 0.671 2.083 ( 0.543 1.488 0.000) 1.584 2.206 ( -6.536 -0.019 0.000) 6.536 2.316 ( 4.138 -2.632 0.000) 4.904 2.439 ( 4.795 0.266 0.000) 4.802 2.566 ( -0.834 -1.370 0.000) 1.603 2.631 ( 3.454 0.108 0.000) 3.456 2.890 ( -0.742 0.622 0.000) 0.968 3.118 ( 3.143 -2.664 0.000) 4.120 3.269 ( 0.869 0.395 0.000) 0.955 3.467 ( -3.834 -0.291 0.000) 3.845 3.495 ( 13.467 0.472 0.000) 13.475 3.620 ( -1.703 -0.226 0.000) 1.718 3.816 ( 6.841 -0.004 0.000) 6.841 3.937 ( -2.229 -0.018 0.000) 2.229 4.019 ( -5.721 -0.027 0.000) 5.721 4.160 ( 6.384 -0.287 0.000) 6.390 4.330 ( 2.325 -0.177 0.000) 2.331 4.401 ( 0.840 0.188 0.000) 0.861 4.798 ( -0.125 0.082 0.000) 0.150 4.853 ( -1.959 -0.082 0.000) 1.961 4.875 ( 0.185 -0.086 0.000) 0.204 5.045 ( 0.579 -0.063 0.000) 0.583 5.136 ( -1.155 0.087 0.000) 1.159 5.234 ( -0.608 -0.187 0.000) 0.636 5.277 ( -2.659 0.436 0.000) 2.694 5.384 ( -0.113 -0.243 0.000) 0.268 5.525 ( -0.215 0.423 0.000) 0.474 5.636 ( 0.028 0.174 0.000) 0.176 5.820 ( -3.483 0.899 0.000) 3.597 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -1.585 0.895 0.000) 1.820 1.598 ( 2.712 -1.003 0.000) 2.891 1.609 ( -6.129 4.314 0.000) 7.495 1.720 ( -5.183 -0.331 0.000) 5.194 1.832 ( -6.549 -1.994 0.000) 6.846 1.991 ( 0.971 0.308 0.000) 1.019 2.019 ( -1.363 -0.153 0.000) 1.372 2.052 ( -3.798 -2.345 0.000) 4.464 2.109 ( 1.107 -0.078 0.000) 1.110 2.412 ( 3.591 -0.439 0.000) 3.618 2.530 ( 2.924 2.783 0.000) 4.037 2.596 ( 3.757 -1.387 0.000) 4.004 2.662 ( -0.572 -0.012 0.000) 0.572 2.885 ( 1.154 0.768 0.000) 1.386 3.207 ( 4.599 -2.610 0.000) 5.288 3.256 ( -1.374 0.023 0.000) 1.374 3.436 ( 1.216 0.023 0.000) 1.216 3.600 ( 0.469 1.176 0.000) 1.266 3.634 ( 1.179 0.981 0.000) 1.534 3.891 ( -0.250 -0.034 0.000) 0.252 3.917 ( 0.008 0.027 0.000) 0.028 3.964 ( -0.306 -0.211 0.000) 0.372 4.257 ( 1.421 -0.111 0.000) 1.425 4.364 ( 0.834 0.006 0.000) 0.834 4.394 ( -1.394 -0.076 0.000) 1.396 4.796 ( -0.147 0.003 0.000) 0.147 4.833 ( 0.237 -0.001 0.000) 0.237 4.888 ( 1.135 -0.087 0.000) 1.138 5.063 ( 1.072 0.169 0.000) 1.085 5.125 ( 0.173 -0.613 0.000) 0.637 5.208 ( -3.292 0.379 0.000) 3.314 5.238 ( 0.948 -0.040 0.000) 0.949 5.388 ( 0.412 -0.088 0.000) 0.421 5.500 ( -1.956 0.030 0.000) 1.957 5.627 ( -0.801 0.015 0.000) 0.801 5.751 ( -3.115 0.149 0.000) 3.119 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( -2.338 -0.155 0.000) 2.343 1.505 ( -2.260 -0.842 0.000) 2.412 1.640 ( -5.856 -6.273 0.000) 8.581 1.652 ( 1.904 0.903 0.000) 2.107 1.703 ( -7.047 -2.805 0.000) 7.584 1.888 ( -8.447 -0.225 0.000) 8.450 1.971 ( -5.716 -2.932 0.000) 6.424 2.013 ( 1.056 0.574 0.000) 1.202 2.205 ( 5.523 -0.061 0.000) 5.524 2.418 ( -2.957 0.569 0.000) 3.011 2.551 ( 2.959 5.452 0.000) 6.203 2.618 ( -3.267 -0.172 0.000) 3.272 2.698 ( 4.506 -0.885 0.000) 4.592 2.921 ( 2.907 2.676 0.000) 3.951 3.215 ( -3.585 -0.950 0.000) 3.708 3.290 ( 0.593 -0.869 0.000) 1.052 3.506 ( 5.059 0.681 0.000) 5.105 3.530 ( -8.365 3.099 0.000) 8.920 3.651 ( 3.511 0.657 0.000) 3.572 3.815 ( -6.250 -0.042 0.000) 6.251 3.941 ( 2.854 0.093 0.000) 2.856 4.013 ( 5.624 -0.262 0.000) 5.630 4.204 ( -5.136 0.985 0.000) 5.230 4.356 ( -1.479 0.480 0.000) 1.555 4.361 ( -1.696 -1.036 0.000) 1.987 4.792 ( -0.146 -0.023 0.000) 0.148 4.860 ( 1.996 0.042 0.000) 1.996 4.896 ( -0.817 0.577 0.000) 1.000 5.071 ( -0.139 1.226 0.000) 1.233 5.126 ( -0.792 -0.137 0.000) 0.804 5.193 ( 1.180 -2.531 0.000) 2.793 5.267 ( 2.091 0.815 0.000) 2.244 5.403 ( 1.080 0.107 0.000) 1.085 5.456 ( -2.779 -1.488 0.000) 3.153 5.611 ( -0.647 -0.537 0.000) 0.840 5.697 ( -2.808 -1.967 0.000) 3.428 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( -4.226 1.107 0.000) 4.369 1.473 ( -13.398 -5.076 0.000) 14.327 1.536 ( 1.872 -7.653 0.000) 7.879 1.646 ( -2.069 0.579 0.000) 2.148 1.670 ( -0.422 -7.196 0.000) 7.208 1.706 ( -9.767 -0.743 0.000) 9.795 1.876 ( -5.044 -2.287 0.000) 5.538 2.027 ( 0.752 1.014 0.000) 1.262 2.311 ( 4.906 -0.597 0.000) 4.942 2.328 ( -4.898 1.375 0.000) 5.087 2.560 ( -2.031 0.742 0.000) 2.162 2.575 ( 2.391 5.595 0.000) 6.084 2.751 ( 0.075 0.066 0.000) 0.100 2.935 ( -0.362 4.408 0.000) 4.423 3.088 ( -11.016 -2.398 0.000) 11.274 3.197 ( -10.566 2.036 0.000) 10.760 3.257 ( -14.796 2.870 0.000) 15.071 3.577 ( 1.619 0.875 0.000) 1.840 3.712 ( -2.727 0.204 0.000) 2.734 3.720 ( 2.915 1.801 0.000) 3.427 4.047 ( 8.149 0.747 0.000) 8.184 4.100 ( -1.390 1.466 0.000) 2.020 4.190 ( 6.420 -0.842 0.000) 6.475 4.304 ( -3.425 0.796 0.000) 3.516 4.386 ( 7.103 0.119 0.000) 7.104 4.794 ( 0.377 -0.067 0.000) 0.383 4.852 ( -3.108 -0.429 0.000) 3.137 4.891 ( 0.821 -0.185 0.000) 0.841 5.041 ( -1.811 0.813 0.000) 1.985 5.124 ( -0.551 -1.560 0.000) 1.654 5.223 ( 0.350 -1.846 0.000) 1.879 5.299 ( 1.340 1.694 0.000) 2.160 5.415 ( -0.116 0.341 0.000) 0.361 5.420 ( -1.601 -2.925 0.000) 3.334 5.600 ( -1.753 -0.514 0.000) 1.827 5.692 ( 1.434 -5.288 0.000) 5.479 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -15.661 -0.557 0.000) 15.671 1.266 ( -11.574 5.369 0.000) 12.758 1.558 ( -5.024 -2.916 0.000) 5.810 1.576 ( -5.202 -2.090 0.000) 5.606 1.603 ( -0.915 -7.387 0.000) 7.444 1.735 ( 0.914 -8.050 0.000) 8.102 1.819 ( -1.858 -2.715 0.000) 3.290 2.035 ( 0.870 0.990 0.000) 1.318 2.224 ( -4.670 1.227 0.000) 4.829 2.397 ( 3.105 -0.683 0.000) 3.179 2.525 ( -1.411 2.218 0.000) 2.629 2.555 ( -3.585 2.712 0.000) 4.495 2.687 ( -8.393 1.937 0.000) 8.613 2.775 ( -13.857 1.580 0.000) 13.947 2.830 ( -14.902 -2.945 0.000) 15.190 2.861 ( -10.930 6.803 0.000) 12.874 3.083 ( -3.913 2.123 0.000) 4.452 3.560 ( -2.472 0.278 0.000) 2.488 3.710 ( 1.822 0.022 0.000) 1.823 3.730 ( -0.726 2.007 0.000) 2.134 4.109 ( 3.101 1.338 0.000) 3.377 4.205 ( -5.721 0.938 0.000) 5.797 4.225 ( 8.830 1.569 0.000) 8.969 4.231 ( -0.746 -1.218 0.000) 1.429 4.622 ( 8.819 1.714 0.000) 8.984 4.811 ( 1.392 -0.094 0.000) 1.396 4.827 ( 3.737 -2.348 0.000) 4.414 4.890 ( -1.023 -0.892 0.000) 1.358 5.004 ( -1.629 -0.878 0.000) 1.850 5.097 ( -3.593 -3.005 0.000) 4.684 5.242 ( 1.093 -0.061 0.000) 1.094 5.289 ( -1.532 -0.848 0.000) 1.752 5.398 ( -1.241 -0.150 0.000) 1.250 5.447 ( 3.104 -0.011 0.000) 3.104 5.553 ( -3.486 -2.746 0.000) 4.437 5.805 ( 6.219 -4.445 0.000) 7.644 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -13.604 7.066 0.000) 15.329 0.947 ( -15.712 7.345 0.000) 17.344 1.477 ( -5.734 -2.434 0.000) 6.229 1.541 ( 0.637 -4.513 0.000) 4.558 1.592 ( -2.647 -3.397 0.000) 4.307 1.719 ( -6.221 0.528 0.000) 6.244 1.789 ( -5.232 2.432 0.000) 5.769 2.050 ( 0.880 0.213 0.000) 0.905 2.085 ( -12.696 -0.293 0.000) 12.700 2.265 ( -11.325 1.473 0.000) 11.420 2.363 ( -11.932 0.002 0.000) 11.932 2.461 ( -0.369 -1.549 0.000) 1.593 2.534 ( -4.922 -2.859 0.000) 5.692 2.620 ( -7.842 0.163 0.000) 7.844 2.661 ( -1.442 1.426 0.000) 2.028 2.699 ( -1.689 1.650 0.000) 2.361 3.045 ( 1.208 1.458 0.000) 1.894 3.493 ( -4.049 -0.687 0.000) 4.107 3.673 ( -3.574 1.586 0.000) 3.910 3.754 ( 2.065 0.047 0.000) 2.066 4.045 ( -9.100 0.712 0.000) 9.128 4.182 ( 4.262 1.204 0.000) 4.429 4.218 ( -0.292 0.816 0.000) 0.867 4.367 ( 5.768 1.567 0.000) 5.977 4.588 ( -9.622 -8.319 0.000) 12.720 4.834 ( -0.175 -1.015 0.000) 1.030 4.886 ( 1.009 -0.715 0.000) 1.237 4.947 ( -0.960 -1.842 0.000) 2.077 5.020 ( -1.406 0.940 0.000) 1.691 5.103 ( 9.489 -1.232 0.000) 9.569 5.256 ( 0.048 0.261 0.000) 0.265 5.273 ( -0.855 -2.292 0.000) 2.447 5.380 ( -0.443 -0.069 0.000) 0.448 5.510 ( -2.958 -5.828 0.000) 6.536 5.520 ( 4.652 3.000 0.000) 5.536 5.974 ( 8.932 -1.313 0.000) 9.028 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -14.076 9.787 0.000) 17.144 0.631 ( -1.942 19.430 0.000) 19.527 1.339 ( -23.166 22.633 0.000) 32.387 1.390 ( -3.835 -1.378 0.000) 4.075 1.534 ( -5.426 0.440 0.000) 5.444 1.632 ( -2.764 0.627 0.000) 2.834 1.639 ( 6.202 -4.864 0.000) 7.882 1.889 ( -7.615 -3.092 0.000) 8.219 2.034 ( -7.082 -2.917 0.000) 7.659 2.124 ( -6.648 -1.646 0.000) 6.849 2.229 ( 2.405 -4.616 0.000) 5.205 2.434 ( -7.241 -5.577 0.000) 9.139 2.469 ( 0.324 0.909 0.000) 0.965 2.526 ( -2.729 -1.834 0.000) 3.288 2.664 ( 1.605 2.773 0.000) 3.204 2.699 ( 1.072 -0.549 0.000) 1.205 3.143 ( 10.748 0.816 0.000) 10.779 3.425 ( -3.071 -1.522 0.000) 3.427 3.592 ( -3.413 0.167 0.000) 3.417 3.760 ( -2.363 0.893 0.000) 2.526 3.887 ( -4.489 -0.010 0.000) 4.489 4.197 ( -0.257 2.254 0.000) 2.268 4.236 ( -4.336 -4.344 0.000) 6.138 4.373 ( -17.063 -11.513 0.000) 20.584 4.437 ( 2.337 1.007 0.000) 2.545 4.830 ( -0.664 -2.255 0.000) 2.351 4.910 ( -2.583 -0.774 0.000) 2.696 4.922 ( 1.723 0.223 0.000) 1.737 4.993 ( -0.250 0.080 0.000) 0.262 5.230 ( 0.520 0.891 0.000) 1.032 5.246 ( 0.657 -0.257 0.000) 0.706 5.280 ( -0.112 -2.660 0.000) 2.662 5.362 ( -1.992 0.242 0.000) 2.006 5.542 ( 2.510 -6.101 0.000) 6.597 5.578 ( 3.247 4.948 0.000) 5.919 6.161 ( 9.454 1.296 0.000) 9.542 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( -0.000 13.809 0.000) 13.809 0.586 ( -0.000 23.629 0.000) 23.629 0.807 ( -0.000 32.748 0.000) 32.748 1.355 ( 0.000 -0.427 0.000) 0.427 1.455 ( -0.000 0.984 0.000) 0.984 1.625 ( -0.000 0.260 0.000) 0.260 1.781 ( -0.000 1.729 0.000) 1.729 1.813 ( 0.000 -1.740 0.000) 1.740 1.901 ( 0.000 -11.703 0.000) 11.703 2.103 ( 0.000 -0.783 0.000) 0.783 2.311 ( 0.000 -0.983 0.000) 0.983 2.374 ( 0.000 -9.122 0.000) 9.122 2.461 ( -0.000 2.411 0.000) 2.411 2.505 ( 0.000 -1.958 0.000) 1.958 2.667 ( -0.000 2.400 0.000) 2.400 2.720 ( 0.000 -1.189 0.000) 1.189 3.403 ( 0.000 -1.763 0.000) 1.763 3.529 ( 0.000 -10.561 0.000) 10.561 3.538 ( 0.000 -1.886 0.000) 1.886 3.704 ( -0.000 1.374 0.000) 1.374 3.809 ( -0.000 0.578 0.000) 0.578 3.861 ( 0.000 -0.330 0.000) 0.330 4.177 ( -0.000 2.894 0.000) 2.894 4.302 ( -0.000 2.375 0.000) 2.375 4.454 ( -0.000 0.712 0.000) 0.712 4.838 ( 0.000 -2.451 0.000) 2.451 4.880 ( -0.000 1.062 0.000) 1.062 4.938 ( -0.000 0.489 0.000) 0.489 4.997 ( 0.000 -0.842 0.000) 0.842 5.212 ( -0.000 0.341 0.000) 0.341 5.250 ( -0.000 0.370 0.000) 0.370 5.295 ( 0.000 -2.888 0.000) 2.888 5.330 ( -0.000 1.230 0.000) 1.230 5.579 ( -0.000 5.578 0.000) 5.578 5.610 ( 0.000 -4.581 0.000) 4.581 6.279 ( 0.000 -0.242 0.000) 0.242 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -2.552 0.000 0.000) 2.552 1.591 ( 3.850 -0.000 0.000) 3.850 1.640 ( -6.055 0.000 0.000) 6.055 1.716 ( -7.377 0.000 0.000) 7.377 1.819 ( -7.349 0.000 0.000) 7.349 1.993 ( 1.321 -0.000 0.000) 1.321 2.018 ( -1.785 0.000 0.000) 1.785 2.035 ( -4.279 0.000 0.000) 4.279 2.109 ( 1.292 -0.000 0.000) 1.292 2.411 ( 4.472 -0.000 0.000) 4.472 2.557 ( 5.510 -0.000 0.000) 5.510 2.578 ( 1.834 -0.000 0.000) 1.834 2.662 ( -0.659 0.000 0.000) 0.659 2.890 ( 1.447 -0.000 0.000) 1.447 3.190 ( 5.221 -0.000 0.000) 5.221 3.256 ( -1.587 0.000 0.000) 1.587 3.437 ( 1.404 -0.000 0.000) 1.404 3.607 ( 0.663 -0.000 0.000) 0.663 3.641 ( 1.324 -0.000 0.000) 1.324 3.891 ( -0.288 0.000 0.000) 0.288 3.917 ( 0.009 -0.000 0.000) 0.009 3.963 ( -0.344 0.000 0.000) 0.344 4.257 ( 1.671 -0.000 0.000) 1.671 4.364 ( 0.963 -0.000 0.000) 0.963 4.393 ( -1.623 0.000 0.000) 1.623 4.796 ( -0.171 0.000 0.000) 0.171 4.833 ( 0.275 -0.000 0.000) 0.275 4.888 ( 1.314 -0.000 0.000) 1.314 5.065 ( 1.356 -0.000 0.000) 1.356 5.121 ( -0.158 0.000 0.000) 0.158 5.211 ( -3.578 0.000 0.000) 3.578 5.238 ( 1.092 -0.000 0.000) 1.092 5.387 ( 0.475 -0.000 0.000) 0.475 5.500 ( -2.256 0.000 0.000) 2.256 5.627 ( -0.925 0.000 0.000) 0.925 5.752 ( -3.591 0.000 0.000) 3.591 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -2.423 -0.043 0.000) 2.423 1.517 ( -5.197 2.593 0.000) 5.808 1.569 ( -7.782 -5.105 0.000) 9.307 1.659 ( 2.304 0.316 0.000) 2.326 1.681 ( -6.598 -0.907 0.000) 6.660 1.886 ( -8.445 -0.075 0.000) 8.446 1.944 ( -5.121 -1.256 0.000) 5.273 2.018 ( 1.191 0.199 0.000) 1.208 2.205 ( 5.340 -0.029 0.000) 5.340 2.423 ( -2.716 0.234 0.000) 2.726 2.615 ( 3.348 4.886 0.000) 5.923 2.617 ( -3.145 -0.054 0.000) 3.146 2.672 ( 4.465 -3.321 0.000) 5.565 2.947 ( 3.817 1.292 0.000) 4.029 3.207 ( -4.039 -0.345 0.000) 4.053 3.278 ( 1.397 -0.700 0.000) 1.562 3.512 ( 5.216 0.247 0.000) 5.222 3.557 ( -9.151 1.276 0.000) 9.239 3.657 ( 4.439 0.253 0.000) 4.447 3.815 ( -6.150 -0.018 0.000) 6.150 3.942 ( 2.945 0.037 0.000) 2.945 4.010 ( 5.752 -0.110 0.000) 5.753 4.213 ( -4.744 0.429 0.000) 4.763 4.352 ( -1.976 -0.449 0.000) 2.026 4.360 ( -1.351 0.176 0.000) 1.363 4.792 ( -0.141 -0.000 0.000) 0.141 4.860 ( 1.961 0.008 0.000) 1.961 4.901 ( -0.792 0.237 0.000) 0.826 5.085 ( 0.508 0.854 0.000) 0.993 5.125 ( -0.948 -0.052 0.000) 0.950 5.167 ( 0.307 -1.371 0.000) 1.405 5.275 ( 2.630 0.339 0.000) 2.651 5.403 ( 1.145 0.015 0.000) 1.145 5.443 ( -3.552 -0.587 0.000) 3.601 5.606 ( -0.862 -0.238 0.000) 0.895 5.681 ( -3.698 -0.643 0.000) 3.753 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( -8.540 -2.863 0.000) 9.007 1.445 ( -2.669 0.624 0.000) 2.741 1.468 ( -1.043 -3.488 0.000) 3.641 1.595 ( -3.250 -5.020 0.000) 5.980 1.649 ( -3.332 0.074 0.000) 3.332 1.701 ( -10.250 -0.118 0.000) 10.251 1.854 ( -4.559 -1.322 0.000) 4.747 2.036 ( 0.857 0.558 0.000) 1.023 2.305 ( 4.660 -0.408 0.000) 4.677 2.342 ( -4.620 0.878 0.000) 4.703 2.569 ( -1.107 0.585 0.000) 1.252 2.635 ( 1.310 4.289 0.000) 4.484 2.743 ( 0.749 -1.144 0.000) 1.367 2.980 ( -0.756 2.808 0.000) 2.908 3.065 ( -11.627 -1.497 0.000) 11.723 3.213 ( -7.928 0.774 0.000) 7.966 3.283 ( -15.909 1.502 0.000) 15.980 3.586 ( 1.490 0.514 0.000) 1.576 3.713 ( -2.779 0.095 0.000) 2.781 3.736 ( 2.820 0.947 0.000) 2.975 4.054 ( 8.599 0.443 0.000) 8.611 4.120 ( -1.462 1.682 0.000) 2.229 4.177 ( 5.262 -1.252 0.000) 5.409 4.312 ( -3.383 0.459 0.000) 3.415 4.387 ( 9.226 0.057 0.000) 9.226 4.793 ( 0.400 0.013 0.000) 0.400 4.848 ( -4.245 -0.215 0.000) 4.251 4.889 ( 0.571 -0.154 0.000) 0.591 5.055 ( -2.494 1.504 0.000) 2.913 5.103 ( -1.629 -1.941 0.000) 2.534 5.206 ( 1.759 -1.033 0.000) 2.040 5.322 ( 1.291 2.128 0.000) 2.489 5.385 ( -1.577 -2.842 0.000) 3.251 5.418 ( -0.190 0.172 0.000) 0.256 5.597 ( -2.465 0.059 0.000) 2.466 5.639 ( 1.323 -3.409 0.000) 3.657 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( -9.643 5.308 0.000) 11.008 1.332 ( -9.204 5.608 0.000) 10.778 1.517 ( -6.706 -3.918 0.000) 7.767 1.524 ( 1.276 -5.835 0.000) 5.973 1.555 ( -6.293 -1.485 0.000) 6.466 1.617 ( 0.712 -11.030 0.000) 11.053 1.792 ( -2.388 -1.793 0.000) 2.986 2.047 ( 0.751 0.896 0.000) 1.169 2.242 ( -4.669 1.561 0.000) 4.923 2.388 ( 3.151 -0.832 0.000) 3.258 2.558 ( -0.289 3.042 0.000) 3.056 2.582 ( -7.373 1.699 0.000) 7.567 2.705 ( -5.210 1.094 0.000) 5.324 2.790 ( -14.691 0.999 0.000) 14.725 2.791 ( -15.411 -3.455 0.000) 15.794 2.948 ( -11.816 7.105 0.000) 13.788 3.096 ( -4.526 0.067 0.000) 4.526 3.564 ( -2.903 0.328 0.000) 2.922 3.710 ( 1.721 -0.055 0.000) 1.722 3.747 ( -1.176 0.865 0.000) 1.460 4.125 ( 3.148 1.410 0.000) 3.449 4.214 ( -6.163 0.683 0.000) 6.201 4.215 ( -0.121 -1.370 0.000) 1.375 4.241 ( 9.415 1.164 0.000) 9.487 4.649 ( 5.183 2.838 0.000) 5.909 4.790 ( 5.547 -3.721 0.000) 6.680 4.812 ( 1.542 0.155 0.000) 1.550 4.880 ( -1.605 -0.875 0.000) 1.828 4.994 ( -3.084 -0.849 0.000) 3.198 5.068 ( -2.898 -1.764 0.000) 3.392 5.246 ( 2.131 0.607 0.000) 2.216 5.280 ( -2.740 -0.605 0.000) 2.806 5.393 ( -1.968 -0.586 0.000) 2.054 5.447 ( 4.922 -0.013 0.000) 4.922 5.525 ( -4.547 -1.793 0.000) 4.887 5.759 ( 7.703 -3.056 0.000) 8.287 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -5.479 14.018 0.000) 15.050 1.037 ( -14.829 7.363 0.000) 16.556 1.444 ( -5.886 -2.870 0.000) 6.549 1.486 ( 0.015 -4.655 0.000) 4.655 1.555 ( -0.328 -2.823 0.000) 2.842 1.689 ( -1.332 -5.628 0.000) 5.784 1.782 ( -0.647 -2.797 0.000) 2.870 2.056 ( 0.492 0.676 0.000) 0.836 2.103 ( -12.261 2.702 0.000) 12.555 2.270 ( -15.009 -1.240 0.000) 15.060 2.368 ( -14.900 0.804 0.000) 14.922 2.443 ( 0.873 -1.450 0.000) 1.693 2.523 ( -8.852 1.503 0.000) 8.978 2.624 ( -7.635 0.354 0.000) 7.643 2.670 ( 0.844 0.204 0.000) 0.869 2.733 ( -4.001 3.990 0.000) 5.650 3.045 ( -0.913 -1.442 0.000) 1.706 3.486 ( -4.559 -0.436 0.000) 4.580 3.684 ( -4.624 0.173 0.000) 4.627 3.754 ( 2.193 -0.027 0.000) 2.193 4.053 ( -9.270 0.641 0.000) 9.293 4.196 ( 3.345 1.048 0.000) 3.506 4.224 ( 0.953 0.128 0.000) 0.962 4.384 ( 5.471 1.326 0.000) 5.629 4.505 ( -13.013 -5.362 0.000) 14.075 4.824 ( -1.353 -0.715 0.000) 1.531 4.877 ( 1.909 -0.760 0.000) 2.054 4.929 ( -1.968 -1.235 0.000) 2.324 5.022 ( -2.029 -0.531 0.000) 2.097 5.093 ( 13.003 -0.329 0.000) 13.008 5.250 ( -0.964 -1.537 0.000) 1.814 5.266 ( 0.048 1.434 0.000) 1.435 5.371 ( -0.426 -1.333 0.000) 1.400 5.452 ( -3.932 -3.825 0.000) 5.485 5.550 ( 5.799 2.151 0.000) 6.185 5.958 ( 10.694 -1.213 0.000) 10.763 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -12.277 9.250 0.000) 15.372 0.883 ( 3.893 21.884 0.000) 22.228 1.366 ( -3.530 -2.659 0.000) 4.419 1.538 ( -3.836 0.552 0.000) 3.876 1.572 ( 5.590 -6.013 0.000) 8.210 1.578 ( -12.650 14.450 0.000) 19.204 1.654 ( -6.770 5.198 0.000) 8.535 1.837 ( -6.613 -5.535 0.000) 8.623 2.008 ( -9.923 -1.349 0.000) 10.015 2.117 ( -4.536 0.125 0.000) 4.538 2.168 ( -0.515 -5.662 0.000) 5.685 2.373 ( -6.948 -3.963 0.000) 7.999 2.469 ( 0.668 -0.729 0.000) 0.988 2.508 ( -3.665 -1.176 0.000) 3.849 2.695 ( 0.021 -0.002 0.000) 0.021 2.697 ( 1.905 2.571 0.000) 3.200 3.117 ( 7.609 -4.892 0.000) 9.045 3.407 ( -3.474 -1.366 0.000) 3.732 3.585 ( -5.067 -1.450 0.000) 5.270 3.769 ( -1.584 0.704 0.000) 1.733 3.888 ( -5.109 0.108 0.000) 5.110 4.131 ( -18.847 -9.303 0.000) 21.018 4.218 ( 0.475 1.298 0.000) 1.382 4.345 ( -0.046 2.632 0.000) 2.633 4.449 ( 2.052 0.946 0.000) 2.259 4.805 ( -0.966 -1.949 0.000) 2.175 4.899 ( -1.436 -1.024 0.000) 1.763 4.924 ( 1.902 -0.010 0.000) 1.902 4.996 ( -0.557 0.388 0.000) 0.679 5.238 ( -1.210 0.554 0.000) 1.331 5.251 ( 2.174 0.925 0.000) 2.363 5.253 ( -0.034 -1.881 0.000) 1.881 5.362 ( -1.261 -0.388 0.000) 1.319 5.472 ( 2.992 -5.492 0.000) 6.254 5.632 ( 3.896 4.075 0.000) 5.638 6.169 ( 9.361 0.250 0.000) 9.364 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -0.000 12.019 0.000) 12.019 0.857 ( -0.000 21.834 0.000) 21.834 1.184 ( -0.000 30.183 0.000) 30.183 1.343 ( 0.000 -1.726 0.000) 1.726 1.467 ( -0.000 0.890 0.000) 0.890 1.632 ( -0.000 1.158 0.000) 1.158 1.758 ( 0.000 -11.687 0.000) 11.687 1.785 ( 0.000 -3.189 0.000) 3.189 1.804 ( -0.000 1.997 0.000) 1.997 2.098 ( 0.000 -0.001 0.000) 0.001 2.252 ( 0.000 -11.025 0.000) 11.025 2.296 ( 0.000 -1.385 0.000) 1.385 2.477 ( -0.000 0.206 0.000) 0.206 2.481 ( 0.000 -2.068 0.000) 2.068 2.700 ( -0.000 3.047 0.000) 3.047 2.705 ( 0.000 -1.283 0.000) 1.283 3.380 ( 0.000 -14.274 0.000) 14.274 3.381 ( 0.000 -1.862 0.000) 1.862 3.513 ( 0.000 -2.261 0.000) 2.261 3.721 ( -0.000 1.397 0.000) 1.397 3.816 ( -0.000 0.649 0.000) 0.649 3.857 ( 0.000 -0.338 0.000) 0.338 4.211 ( -0.000 2.454 0.000) 2.454 4.340 ( -0.000 4.025 0.000) 4.025 4.463 ( -0.000 0.759 0.000) 0.759 4.809 ( 0.000 -2.382 0.000) 2.382 4.887 ( -0.000 0.034 0.000) 0.034 4.942 ( -0.000 0.211 0.000) 0.211 4.991 ( 0.000 -0.041 0.000) 0.041 5.216 ( -0.000 0.414 0.000) 0.414 5.255 ( -0.000 0.405 0.000) 0.405 5.265 ( 0.000 -2.196 0.000) 2.196 5.346 ( -0.000 1.355 0.000) 1.355 5.548 ( 0.000 -5.720 0.000) 5.720 5.644 ( -0.000 5.147 0.000) 5.147 6.275 ( 0.000 -0.288 0.000) 0.288 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -4.917 0.000 0.000) 4.917 1.449 ( -2.070 0.000 0.000) 2.070 1.450 ( -3.305 0.000 0.000) 3.305 1.562 ( -4.945 0.000 0.000) 4.945 1.650 ( -4.000 0.000 0.000) 4.000 1.701 ( -10.263 0.000 0.000) 10.263 1.846 ( -4.356 0.000 0.000) 4.356 2.040 ( 0.919 -0.000 0.000) 0.919 2.302 ( 4.558 -0.000 0.000) 4.558 2.347 ( -4.498 0.000 0.000) 4.498 2.572 ( -0.713 0.000 0.000) 0.713 2.665 ( 0.145 -0.000 0.000) 0.145 2.733 ( 1.837 -0.000 0.000) 1.837 2.997 ( -1.086 0.000 0.000) 1.086 3.055 ( -11.913 0.000 0.000) 11.913 3.217 ( -6.933 0.000 0.000) 6.933 3.293 ( -16.180 0.000 0.000) 16.180 3.589 ( 1.459 -0.000 0.000) 1.459 3.714 ( -2.809 0.000 0.000) 2.809 3.742 ( 2.709 -0.000 0.000) 2.709 4.057 ( 8.765 -0.000 0.000) 8.765 4.133 ( -2.345 0.000 0.000) 2.345 4.166 ( 5.660 -0.000 0.000) 5.660 4.314 ( -3.368 0.000 0.000) 3.368 4.388 ( 10.061 -0.000 0.000) 10.061 4.793 ( 0.416 -0.000 0.000) 0.416 4.847 ( -4.720 0.000 0.000) 4.720 4.888 ( 0.470 -0.000 0.000) 0.470 5.072 ( -3.797 0.000 0.000) 3.797 5.083 ( -1.108 0.000 0.000) 1.108 5.200 ( 2.469 -0.000 0.000) 2.469 5.345 ( 4.312 -0.000 0.000) 4.312 5.358 ( -4.606 0.000 0.000) 4.606 5.419 ( -0.223 0.000 0.000) 0.223 5.600 ( -4.252 0.000 0.000) 4.252 5.616 ( 2.803 -0.000 0.000) 2.803 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( -3.092 9.336 0.000) 9.835 1.396 ( -5.230 4.772 0.000) 7.080 1.447 ( 1.920 -8.893 0.000) 9.098 1.467 ( -10.154 -4.154 0.000) 10.971 1.507 ( -1.868 -4.561 0.000) 4.929 1.542 ( -7.099 -0.558 0.000) 7.121 1.777 ( -2.692 -0.634 0.000) 2.765 2.055 ( 0.770 0.377 0.000) 0.857 2.257 ( -4.412 0.679 0.000) 4.464 2.380 ( 3.048 -0.360 0.000) 3.069 2.590 ( 2.139 1.774 0.000) 2.779 2.595 ( -10.068 0.552 0.000) 10.083 2.714 ( -3.918 0.385 0.000) 3.937 2.756 ( -17.427 -1.924 0.000) 17.533 2.798 ( -14.823 0.396 0.000) 14.828 3.018 ( -10.985 4.113 0.000) 11.730 3.086 ( -5.311 -1.450 0.000) 5.506 3.567 ( -3.145 0.147 0.000) 3.148 3.709 ( 1.675 -0.036 0.000) 1.676 3.752 ( -1.585 0.158 0.000) 1.593 4.139 ( 3.118 0.759 0.000) 3.209 4.201 ( 0.254 -0.743 0.000) 0.785 4.220 ( -6.323 0.249 0.000) 6.328 4.251 ( 9.650 0.429 0.000) 9.659 4.688 ( -0.773 3.509 0.000) 3.593 4.742 ( 10.249 -3.953 0.000) 10.985 4.814 ( 1.801 0.132 0.000) 1.806 4.871 ( -2.116 -0.396 0.000) 2.153 4.986 ( -4.295 -0.334 0.000) 4.308 5.055 ( -1.778 -0.528 0.000) 1.855 5.253 ( 3.010 0.420 0.000) 3.039 5.275 ( -3.346 -0.219 0.000) 3.353 5.386 ( -2.788 -0.399 0.000) 2.816 5.447 ( 5.885 -0.005 0.000) 5.885 5.511 ( -4.938 -0.597 0.000) 4.974 5.734 ( 8.535 -1.085 0.000) 8.604 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 222 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -14.963 5.374 0.000) 15.899 1.200 ( -0.119 16.799 0.000) 16.800 1.414 ( -6.161 -1.936 0.000) 6.458 1.434 ( 0.181 -3.731 0.000) 3.736 1.523 ( 0.768 -3.244 0.000) 3.333 1.586 ( 3.899 -10.569 0.000) 11.266 1.748 ( -1.235 -2.223 0.000) 2.543 2.064 ( 0.341 0.663 0.000) 0.745 2.140 ( -10.309 3.374 0.000) 10.847 2.239 ( -17.342 -3.409 0.000) 17.674 2.379 ( -17.114 0.771 0.000) 17.131 2.428 ( 1.330 -0.968 0.000) 1.645 2.556 ( -9.843 3.116 0.000) 10.324 2.624 ( -7.159 -0.361 0.000) 7.168 2.669 ( 3.032 -0.278 0.000) 3.045 2.790 ( -6.995 5.216 0.000) 8.726 3.015 ( -3.200 -3.311 0.000) 4.604 3.482 ( -4.941 -0.182 0.000) 4.945 3.680 ( -5.557 -0.511 0.000) 5.580 3.754 ( 2.284 -0.040 0.000) 2.284 4.059 ( -9.380 0.378 0.000) 9.387 4.207 ( 2.038 0.685 0.000) 2.150 4.222 ( 1.206 -0.424 0.000) 1.279 4.397 ( 5.237 0.753 0.000) 5.291 4.461 ( -13.059 -2.154 0.000) 13.236 4.817 ( -2.380 -0.344 0.000) 2.405 4.869 ( 2.752 -0.498 0.000) 2.797 4.918 ( -2.422 -0.571 0.000) 2.488 5.012 ( 0.063 -0.839 0.000) 0.841 5.093 ( 12.822 0.155 0.000) 12.823 5.236 ( -0.997 -0.769 0.000) 1.260 5.289 ( -0.101 2.335 0.000) 2.337 5.349 ( -0.233 -2.268 0.000) 2.280 5.418 ( -4.736 -1.908 0.000) 5.106 5.570 ( 6.565 1.123 0.000) 6.660 5.947 ( 11.774 -0.708 0.000) 11.795 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.806 ( -11.583 6.760 0.000) 13.411 1.137 ( 4.990 20.349 0.000) 20.952 1.331 ( -3.462 -2.840 0.000) 4.478 1.505 ( 4.480 -4.864 0.000) 6.613 1.540 ( -2.187 -0.310 0.000) 2.209 1.640 ( -0.815 1.510 0.000) 1.716 1.746 ( -1.706 -5.034 0.000) 5.316 1.797 ( -13.742 7.566 0.000) 15.687 2.000 ( -10.508 -0.102 0.000) 10.508 2.101 ( -4.301 -4.815 0.000) 6.456 2.123 ( -3.691 0.708 0.000) 3.758 2.351 ( -7.591 0.195 0.000) 7.594 2.456 ( 0.697 -1.246 0.000) 1.427 2.499 ( -4.670 -0.428 0.000) 4.690 2.701 ( -1.220 1.186 0.000) 1.702 2.723 ( 2.464 1.683 0.000) 2.984 3.036 ( 2.988 -8.162 0.000) 8.692 3.394 ( -3.842 -0.906 0.000) 3.947 3.562 ( -6.424 -2.088 0.000) 6.755 3.776 ( -0.926 0.409 0.000) 1.012 3.890 ( -5.649 0.154 0.000) 5.651 4.049 ( -17.440 -4.615 0.000) 18.040 4.229 ( 0.811 0.524 0.000) 0.966 4.386 ( 2.920 3.468 0.000) 4.534 4.458 ( 1.802 0.656 0.000) 1.918 4.785 ( -1.209 -1.305 0.000) 1.778 4.888 ( -1.101 -0.826 0.000) 1.376 4.923 ( 2.054 -0.082 0.000) 2.056 5.000 ( -0.433 0.200 0.000) 0.477 5.235 ( 0.017 -1.115 0.000) 1.115 5.245 ( -1.746 0.629 0.000) 1.856 5.266 ( 2.172 1.555 0.000) 2.671 5.350 ( -0.032 -1.717 0.000) 1.717 5.416 ( 2.529 -3.632 0.000) 4.426 5.673 ( 4.431 2.663 0.000) 5.169 6.169 ( 9.380 -0.049 0.000) 9.380 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( -0.000 9.075 0.000) 9.075 1.103 ( -0.000 19.302 0.000) 19.302 1.314 ( 0.000 -2.918 0.000) 2.918 1.475 ( -0.000 0.594 0.000) 0.594 1.516 ( -0.000 24.966 0.000) 24.966 1.633 ( 0.000 -8.969 0.000) 8.969 1.655 ( -0.000 2.735 0.000) 2.735 1.733 ( 0.000 -5.606 0.000) 5.606 1.827 ( -0.000 1.731 0.000) 1.731 2.103 ( -0.000 0.759 0.000) 0.759 2.121 ( 0.000 -10.482 0.000) 10.482 2.280 ( 0.000 -1.326 0.000) 1.326 2.458 ( 0.000 -1.593 0.000) 1.593 2.470 ( 0.000 -1.133 0.000) 1.133 2.693 ( 0.000 -0.501 0.000) 0.501 2.735 ( -0.000 2.649 0.000) 2.649 3.197 ( 0.000 -15.939 0.000) 15.939 3.360 ( 0.000 -1.509 0.000) 1.509 3.487 ( 0.000 -2.041 0.000) 2.041 3.736 ( -0.000 1.091 0.000) 1.091 3.824 ( -0.000 0.548 0.000) 0.548 3.853 ( 0.000 -0.252 0.000) 0.252 4.232 ( -0.000 1.126 0.000) 1.126 4.395 ( -0.000 4.995 0.000) 4.995 4.471 ( -0.000 0.605 0.000) 0.605 4.783 ( 0.000 -1.845 0.000) 1.845 4.882 ( 0.000 -0.719 0.000) 0.719 4.944 ( -0.000 0.042 0.000) 0.042 4.995 ( -0.000 0.414 0.000) 0.414 5.221 ( -0.000 0.373 0.000) 0.373 5.243 ( 0.000 -1.448 0.000) 1.448 5.259 ( -0.000 0.333 0.000) 0.333 5.361 ( -0.000 1.043 0.000) 1.043 5.480 ( 0.000 -5.343 0.000) 5.343 5.698 ( -0.000 3.879 0.000) 3.879 6.272 ( 0.000 -0.257 0.000) 0.257 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( -15.623 0.000 0.000) 15.623 1.393 ( 0.508 -0.000 0.000) 0.508 1.403 ( -6.347 0.000 0.000) 6.347 1.403 ( 2.914 -0.000 0.000) 2.914 1.408 ( 0.877 -0.000 0.000) 0.877 1.531 ( 5.187 -0.000 0.000) 5.187 1.735 ( -1.735 0.000 0.000) 1.735 2.069 ( 0.321 -0.000 0.000) 0.321 2.171 ( -4.724 0.000 0.000) 4.724 2.207 ( -23.241 0.000 0.000) 23.241 2.384 ( -18.067 0.000 0.000) 18.067 2.422 ( 1.470 -0.000 0.000) 1.470 2.579 ( -9.838 0.000 0.000) 9.838 2.619 ( -6.702 0.000 0.000) 6.702 2.666 ( 3.994 -0.000 0.000) 3.994 2.830 ( -8.133 0.000 0.000) 8.133 2.987 ( -4.266 0.000 0.000) 4.266 3.481 ( -5.083 0.000 0.000) 5.083 3.676 ( -5.932 0.000 0.000) 5.932 3.754 ( 2.317 -0.000 0.000) 2.317 4.062 ( -9.417 0.000 0.000) 9.417 4.212 ( 1.013 -0.000 0.000) 1.013 4.218 ( 1.419 -0.000 0.000) 1.419 4.402 ( 5.149 -0.000 0.000) 5.149 4.449 ( -12.415 0.000 0.000) 12.415 4.815 ( -2.818 0.000 0.000) 2.818 4.866 ( 3.128 -0.000 0.000) 3.128 4.915 ( -2.587 0.000 0.000) 2.587 5.007 ( 1.111 -0.000 0.000) 1.111 5.094 ( 12.458 -0.000 0.000) 12.458 5.232 ( -1.004 0.000 0.000) 1.004 5.318 ( -3.565 0.000 0.000) 3.565 5.321 ( 3.306 -0.000 0.000) 3.306 5.407 ( -5.119 0.000 0.000) 5.119 5.577 ( 6.834 -0.000 0.000) 6.834 5.942 ( 12.140 -0.000 0.000) 12.140 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -11.605 2.501 0.000) 11.872 1.306 ( -3.538 -1.114 0.000) 3.709 1.355 ( 3.368 15.061 0.000) 15.433 1.463 ( 3.980 -1.973 0.000) 4.442 1.512 ( 1.889 -5.518 0.000) 5.832 1.650 ( -2.519 -0.228 0.000) 2.530 1.668 ( -0.596 -3.990 0.000) 4.034 1.858 ( -7.726 1.576 0.000) 7.885 2.001 ( -10.653 0.112 0.000) 10.654 2.069 ( -5.585 -0.820 0.000) 5.645 2.130 ( -3.224 0.390 0.000) 3.247 2.366 ( -9.336 1.394 0.000) 9.439 2.444 ( 0.618 -0.607 0.000) 0.866 2.496 ( -5.210 -0.100 0.000) 5.211 2.723 ( -2.205 1.910 0.000) 2.917 2.736 ( 2.880 0.572 0.000) 2.937 2.946 ( -0.775 -5.414 0.000) 5.469 3.386 ( -4.069 -0.312 0.000) 4.081 3.543 ( -6.867 -0.936 0.000) 6.930 3.779 ( -0.563 0.130 0.000) 0.578 3.891 ( -5.949 0.072 0.000) 5.950 4.015 ( -15.715 -1.273 0.000) 15.766 4.232 ( 0.902 0.135 0.000) 0.912 4.417 ( 4.019 1.468 0.000) 4.278 4.464 ( 1.657 0.232 0.000) 1.673 4.774 ( -1.341 -0.457 0.000) 1.417 4.881 ( -1.048 -0.299 0.000) 1.089 4.922 ( 2.140 -0.041 0.000) 2.140 5.001 ( -0.289 0.007 0.000) 0.289 5.226 ( 0.041 -0.370 0.000) 0.372 5.251 ( -2.182 0.297 0.000) 2.202 5.289 ( 2.251 2.309 0.000) 3.225 5.321 ( 0.516 -2.873 0.000) 2.919 5.390 ( 2.237 -0.902 0.000) 2.412 5.694 ( 4.727 0.925 0.000) 4.816 6.169 ( 9.421 -0.045 0.000) 9.422 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -0.000 4.841 0.000) 4.841 1.281 ( 0.000 -2.218 0.000) 2.218 1.312 ( -0.000 15.410 0.000) 15.410 1.482 ( -0.000 0.732 0.000) 0.732 1.550 ( 0.000 -4.860 0.000) 4.860 1.648 ( 0.000 -8.649 0.000) 8.649 1.689 ( -0.000 3.876 0.000) 3.876 1.759 ( -0.000 13.030 0.000) 13.030 1.843 ( -0.000 1.001 0.000) 1.001 2.020 ( 0.000 -5.205 0.000) 5.205 2.114 ( -0.000 0.853 0.000) 0.853 2.267 ( 0.000 -0.740 0.000) 0.740 2.444 ( 0.000 -0.842 0.000) 0.842 2.455 ( 0.000 -1.140 0.000) 1.140 2.698 ( -0.000 1.322 0.000) 1.322 2.761 ( -0.000 1.498 0.000) 1.498 3.016 ( 0.000 -13.433 0.000) 13.433 3.346 ( 0.000 -0.838 0.000) 0.838 3.467 ( 0.000 -1.218 0.000) 1.218 3.746 ( -0.000 0.590 0.000) 0.590 3.829 ( -0.000 0.312 0.000) 0.312 3.851 ( 0.000 -0.128 0.000) 0.128 4.240 ( -0.000 0.372 0.000) 0.372 4.449 ( -0.000 3.512 0.000) 3.512 4.477 ( -0.000 0.328 0.000) 0.328 4.766 ( 0.000 -0.998 0.000) 0.998 4.873 ( 0.000 -0.551 0.000) 0.551 4.944 ( 0.000 -0.011 0.000) 0.011 4.998 ( -0.000 0.177 0.000) 0.177 5.225 ( -0.000 0.221 0.000) 0.221 5.230 ( 0.000 -0.719 0.000) 0.719 5.262 ( -0.000 0.185 0.000) 0.185 5.369 ( -0.000 0.219 0.000) 0.219 5.428 ( 0.000 -2.969 0.000) 2.969 5.734 ( -0.000 2.074 0.000) 2.074 6.269 ( 0.000 -0.152 0.000) 0.152 ======================= 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( -0.000 0.000 0.000) 0.000 1.267 ( -0.000 0.000 0.000) 0.000 1.427 ( -0.000 0.000 0.000) 0.000 1.507 ( -0.000 0.000 0.000) 0.000 1.520 ( -0.000 0.000 0.000) 0.000 1.554 ( 0.000 -0.000 0.000) 0.000 1.719 ( -0.000 0.000 0.000) 0.000 1.822 ( -0.000 0.000 0.000) 0.000 1.850 ( -0.000 0.000 0.000) 0.000 2.004 ( -0.000 0.000 0.000) 0.000 2.120 ( -0.000 0.000 0.000) 0.000 2.263 ( -0.000 0.000 0.000) 0.000 2.439 ( -0.000 0.000 0.000) 0.000 2.448 ( -0.000 0.000 0.000) 0.000 2.713 ( -0.000 0.000 0.000) 0.000 2.770 ( -0.000 0.000 0.000) 0.000 2.921 ( -0.000 0.000 0.000) 0.000 3.341 ( -0.000 0.000 0.000) 0.000 3.459 ( -0.000 0.000 0.000) 0.000 3.750 ( -0.000 0.000 0.000) 0.000 3.831 ( -0.000 0.000 0.000) 0.000 3.850 ( -0.000 0.000 0.000) 0.000 4.242 ( -0.000 0.000 0.000) 0.000 4.471 ( -0.000 0.000 0.000) 0.000 4.479 ( -0.000 0.000 0.000) 0.000 4.760 ( -0.000 0.000 0.000) 0.000 4.870 ( -0.000 0.000 0.000) 0.000 4.944 ( -0.000 0.000 0.000) 0.000 4.999 ( -0.000 0.000 0.000) 0.000 5.226 ( -0.000 0.000 0.000) 0.000 5.226 ( -0.000 0.000 0.000) 0.000 5.264 ( -0.000 0.000 0.000) 0.000 5.369 ( -0.000 0.000 0.000) 0.000 5.412 ( -0.000 0.000 0.000) 0.000 5.747 ( -0.000 0.000 0.000) 0.000 6.269 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 151 (44/129) ======================= q-point: ( 0.00 0.00 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.289 ( 0.000 0.000 15.707) 15.707 0.392 ( 0.000 0.000 20.391) 20.391 0.717 ( 0.000 0.000 34.772) 34.772 1.218 ( 0.000 0.000 -12.993) 12.993 1.336 ( 0.000 0.000 -10.115) 10.115 1.779 ( 0.000 0.000 10.970) 10.970 1.784 ( 0.000 0.000 1.867) 1.867 1.831 ( 0.000 0.000 -0.185) 0.185 1.976 ( 0.000 0.000 -9.481) 9.481 2.105 ( 0.000 0.000 -2.077) 2.077 2.345 ( 0.000 0.000 2.238) 2.238 2.482 ( 0.000 0.000 8.495) 8.495 2.513 ( 0.000 0.000 -1.950) 1.950 2.549 ( 0.000 0.000 4.773) 4.773 2.743 ( 0.000 0.000 0.668) 0.668 2.831 ( 0.000 0.000 0.828) 0.828 2.990 ( 0.000 0.000 -2.329) 2.329 3.437 ( 0.000 0.000 0.993) 0.993 3.542 ( 0.000 0.000 -1.894) 1.894 3.703 ( 0.000 0.000 1.651) 1.651 3.759 ( 0.000 0.000 -15.969) 15.969 3.793 ( 0.000 0.000 -0.862) 0.862 4.027 ( 0.000 0.000 -3.981) 3.981 4.227 ( 0.000 0.000 -4.292) 4.292 4.855 ( 0.000 0.000 1.878) 1.878 4.878 ( 0.000 0.000 3.004) 3.004 4.897 ( 0.000 0.000 0.877) 0.877 4.982 ( 0.000 0.000 1.985) 1.985 5.210 ( 0.000 0.000 0.282) 0.282 5.240 ( 0.000 0.000 -0.457) 0.457 5.298 ( 0.000 0.000 -1.458) 1.458 5.324 ( 0.000 0.000 -2.313) 2.313 5.420 ( 0.000 0.000 2.393) 2.393 5.485 ( 0.000 0.000 0.056) 0.056 5.856 ( 0.000 0.000 4.111) 4.111 6.153 ( 0.000 0.000 -3.145) 3.145 ======================= Grid point 152 (45/129) ======================= q-point: ( 0.08 0.00 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 18.503 3.898 10.249) 21.508 0.619 ( 15.867 -7.504 11.990) 21.257 1.043 ( 25.639 -7.575 21.308) 34.188 1.276 ( 6.118 -0.114 -10.041) 11.758 1.400 ( 5.164 -1.161 -10.643) 11.887 1.742 ( -1.332 1.001 2.417) 2.936 1.765 ( 0.248 0.849 8.825) 8.869 1.933 ( 8.695 0.352 1.201) 8.785 2.057 ( 1.581 0.471 -2.905) 3.341 2.162 ( 10.383 1.402 -5.497) 11.832 2.329 ( -1.506 0.972 2.637) 3.188 2.447 ( -2.327 -1.086 3.833) 4.614 2.561 ( 3.034 1.518 2.665) 4.314 2.567 ( 3.622 0.425 2.678) 4.525 2.660 ( -4.324 0.725 2.596) 5.095 2.760 ( -1.908 0.913 3.591) 4.168 2.983 ( -2.454 -3.213 -2.766) 4.899 3.463 ( 2.586 0.423 1.095) 2.840 3.556 ( 1.357 -0.450 -2.289) 2.699 3.717 ( 0.668 -0.230 -7.077) 7.112 3.855 ( 9.060 -0.412 -4.577) 10.158 4.019 ( -0.707 -0.020 -5.779) 5.822 4.107 ( 10.404 -0.116 -13.804) 17.286 4.220 ( 1.786 0.698 -5.707) 6.020 4.813 ( -3.391 2.314 2.547) 4.831 4.907 ( 1.016 0.816 1.195) 1.768 4.918 ( 3.228 -0.457 1.378) 3.539 4.980 ( -0.349 -0.793 1.173) 1.458 5.156 ( -3.870 5.739 3.446) 7.733 5.201 ( -2.323 -2.029 0.527) 3.129 5.295 ( 0.095 2.490 0.210) 2.501 5.326 ( 0.625 0.875 -1.234) 1.637 5.384 ( -2.244 -0.249 2.536) 3.395 5.468 ( -2.637 -3.058 0.110) 4.039 5.806 ( -2.542 5.269 5.366) 7.939 6.054 ( -6.010 -2.541 -0.608) 6.553 ======================= Grid point 153 (46/129) ======================= q-point: ( 0.17 0.00 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 17.730 0.063 6.970) 19.051 0.995 ( 19.722 1.277 7.208) 21.036 1.434 ( 9.861 1.251 -6.903) 12.102 1.495 ( 3.477 -0.968 -8.990) 9.687 1.605 ( 20.748 -8.140 8.785) 23.957 1.759 ( 3.264 2.398 5.215) 6.603 1.795 ( 3.452 0.319 5.195) 6.246 2.039 ( -1.269 0.572 -1.343) 1.935 2.160 ( 14.409 0.410 2.546) 14.638 2.284 ( -0.575 1.638 2.205) 2.807 2.393 ( 4.007 1.715 -0.012) 4.358 2.472 ( 11.132 -1.460 -4.194) 11.985 2.572 ( -2.630 -0.091 5.308) 5.924 2.649 ( 3.776 0.171 3.693) 5.284 2.655 ( 4.410 -0.443 3.091) 5.403 2.740 ( 2.010 2.592 0.556) 3.327 2.945 ( -2.432 -2.731 -2.503) 4.432 3.523 ( 3.305 0.374 1.340) 3.586 3.599 ( 2.076 -2.038 -2.877) 4.092 3.724 ( -0.127 0.054 -5.364) 5.366 4.004 ( -0.490 -0.026 -10.122) 10.134 4.066 ( 10.494 -0.528 -0.538) 10.521 4.108 ( -3.584 -0.713 -4.910) 6.120 4.287 ( 0.079 -0.285 -4.409) 4.419 4.725 ( -3.103 3.362 -1.363) 4.774 4.846 ( -8.697 0.300 -2.766) 9.131 4.975 ( 1.595 0.262 4.709) 4.979 5.000 ( 1.953 -1.022 1.766) 2.824 5.064 ( -1.844 3.044 5.166) 6.274 5.167 ( -0.872 -0.511 2.025) 2.263 5.275 ( -0.819 0.759 1.194) 1.635 5.343 ( 0.744 2.613 -0.032) 2.717 5.357 ( 0.124 -0.763 0.054) 0.774 5.429 ( -2.904 -3.652 -0.428) 4.685 5.724 ( -2.214 4.681 5.148) 7.302 5.971 ( -3.566 0.750 -2.250) 4.283 ======================= Grid point 154 (47/129) ======================= q-point: ( 0.25 0.00 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 13.089 -2.185 4.274) 13.942 1.363 ( 19.224 6.120 3.915) 20.551 1.548 ( 2.606 -0.347 -5.092) 5.730 1.627 ( 10.050 2.940 -1.501) 10.579 1.802 ( 2.773 4.439 3.218) 6.144 1.846 ( 3.440 1.622 2.253) 4.420 1.870 ( 2.618 0.276 1.496) 3.028 2.013 ( -1.199 -0.403 -0.406) 1.329 2.249 ( 1.490 1.096 2.057) 2.766 2.406 ( -0.194 -1.630 -2.721) 3.178 2.485 ( -0.296 -0.515 6.630) 6.657 2.559 ( 5.779 -1.479 3.655) 6.996 2.674 ( 9.673 -1.716 5.270) 11.148 2.739 ( 6.947 -3.793 1.829) 8.124 2.793 ( 6.314 3.117 -0.380) 7.051 2.866 ( 15.691 0.658 -0.609) 15.716 2.974 ( 3.928 -4.329 -2.232) 6.257 3.573 ( 1.498 -0.014 1.530) 2.141 3.647 ( 1.088 -2.263 -3.136) 4.018 3.709 ( -1.060 0.134 -0.859) 1.371 4.008 ( 0.671 0.460 -13.139) 13.164 4.048 ( -1.604 -1.124 -5.549) 5.884 4.203 ( -7.289 -0.922 1.512) 7.501 4.253 ( 6.517 -0.954 0.470) 6.603 4.553 ( -15.212 0.381 -1.612) 15.302 4.716 ( -0.172 0.435 -5.435) 5.455 4.987 ( 0.115 0.568 8.546) 8.565 5.033 ( 0.721 -0.188 3.877) 3.948 5.039 ( -0.321 0.492 5.295) 5.328 5.162 ( -0.270 1.144 -0.601) 1.321 5.270 ( 0.674 1.121 1.345) 1.876 5.311 ( -1.682 0.951 0.223) 1.945 5.390 ( 1.366 -0.375 -0.344) 1.457 5.410 ( 0.146 -0.646 -2.869) 2.944 5.675 ( -0.451 3.115 4.675) 5.636 5.893 ( -2.978 3.833 -2.190) 5.326 ======================= Grid point 155 (48/129) ======================= q-point: ( 0.33 0.00 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 6.558 -0.873 1.294) 6.741 1.589 ( 1.516 -0.235 -2.669) 3.078 1.666 ( 14.323 6.505 2.071) 15.867 1.766 ( -0.586 8.205 1.179) 8.310 1.791 ( 4.374 2.795 2.487) 5.755 1.837 ( 0.264 4.471 2.341) 5.054 1.923 ( 4.620 2.389 -1.225) 5.343 1.994 ( -0.852 -0.822 -0.381) 1.243 2.306 ( 3.837 -1.581 0.935) 4.254 2.392 ( -3.176 -1.342 0.952) 3.577 2.443 ( -1.236 -1.671 7.008) 7.310 2.598 ( 1.421 -1.215 4.035) 4.447 2.697 ( -3.313 -4.151 0.113) 5.312 2.868 ( 2.912 0.205 0.783) 3.022 3.077 ( 5.760 -2.154 -2.916) 6.806 3.170 ( 11.714 -2.272 0.051) 11.933 3.174 ( 19.744 -2.030 2.273) 19.977 3.568 ( -2.491 -0.691 1.339) 2.912 3.655 ( -1.673 -1.382 -2.001) 2.951 3.709 ( 2.287 0.407 -0.732) 2.435 4.021 ( 0.555 0.025 -5.822) 5.848 4.048 ( -4.306 -0.148 0.002) 4.309 4.078 ( 1.263 -0.983 -9.168) 9.307 4.227 ( -11.677 -0.716 -6.944) 13.605 4.386 ( 2.338 -0.716 6.174) 6.641 4.741 ( 2.147 0.086 -4.171) 4.692 4.979 ( -0.602 0.475 9.356) 9.388 5.016 ( -1.725 0.101 8.139) 8.320 5.047 ( 0.555 0.037 1.217) 1.339 5.140 ( -1.091 0.529 -1.160) 1.678 5.243 ( -2.422 0.335 -1.459) 2.847 5.305 ( 0.870 1.117 1.978) 2.433 5.394 ( -0.432 -0.667 -1.264) 1.493 5.446 ( 2.342 1.280 -2.525) 3.674 5.660 ( 0.196 2.076 3.390) 3.980 5.812 ( -2.398 4.862 -1.545) 5.637 ======================= Grid point 156 (49/129) ======================= q-point: ( 0.42 0.00 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 2.306 0.359 0.062) 2.334 1.588 ( -1.576 0.783 -1.562) 2.352 1.656 ( -2.931 5.071 2.642) 6.426 1.748 ( -2.144 4.221 -0.685) 4.784 1.851 ( 7.349 4.742 2.474) 9.089 1.929 ( 5.222 1.501 1.576) 5.658 1.980 ( 0.677 -0.356 -1.475) 1.661 2.020 ( 4.069 1.272 -0.801) 4.338 2.318 ( -3.690 0.042 9.857) 10.526 2.399 ( 3.627 -2.167 0.031) 4.225 2.454 ( 0.702 -2.265 1.955) 3.073 2.640 ( -3.333 -3.019 -0.480) 4.522 2.654 ( 2.014 -0.987 3.422) 4.092 2.892 ( -0.040 -0.110 1.331) 1.336 3.152 ( 1.031 -1.905 -4.536) 5.027 3.319 ( 2.503 -3.051 2.560) 4.704 3.452 ( 3.186 0.374 -1.304) 3.463 3.511 ( 0.497 -0.148 1.336) 1.433 3.621 ( -1.275 -0.555 -1.151) 1.805 3.788 ( 4.841 0.723 -4.503) 6.651 3.950 ( -2.563 -0.057 1.073) 2.779 4.011 ( -4.641 0.151 -0.744) 4.702 4.136 ( 6.065 -0.673 -4.215) 7.416 4.177 ( 3.696 -0.033 -12.433) 12.971 4.424 ( 0.491 -0.860 5.557) 5.644 4.793 ( 3.018 -0.521 -2.508) 3.959 4.953 ( -1.997 0.119 8.310) 8.547 4.971 ( -2.278 0.343 7.778) 8.112 5.060 ( 0.585 -0.497 1.041) 1.293 5.124 ( -0.150 0.088 -0.613) 0.637 5.194 ( -2.401 0.322 -2.618) 3.567 5.304 ( -0.404 0.843 3.004) 3.146 5.386 ( -0.576 -0.414 -1.361) 1.535 5.470 ( 0.888 1.345 -2.338) 2.840 5.651 ( -0.102 1.232 2.132) 2.465 5.754 ( -0.838 3.091 -1.088) 3.382 ======================= Grid point 157 (50/129) ======================= q-point: (-0.50 0.00 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.000 0.000 -0.190) 0.190 1.535 ( 0.000 -0.000 0.990) 0.990 1.627 ( 0.000 -0.000 1.343) 1.343 1.709 ( 0.000 -0.000 -1.321) 1.321 1.905 ( 0.000 -0.000 3.006) 3.006 1.966 ( 0.000 -0.000 -1.636) 1.636 2.002 ( 0.000 -0.000 -1.791) 1.791 2.065 ( 0.000 -0.000 -0.625) 0.625 2.274 ( 0.000 -0.000 13.275) 13.275 2.444 ( 0.000 -0.000 -0.200) 0.200 2.480 ( 0.000 -0.000 0.663) 0.663 2.598 ( 0.000 -0.000 -0.385) 0.385 2.689 ( 0.000 -0.000 3.670) 3.670 2.887 ( 0.000 -0.000 1.424) 1.424 3.162 ( 0.000 -0.000 -4.649) 4.649 3.342 ( 0.000 -0.000 3.620) 3.620 3.426 ( 0.000 -0.000 -1.157) 1.157 3.547 ( 0.000 -0.000 -2.392) 2.392 3.619 ( 0.000 -0.000 -0.083) 0.083 3.842 ( 0.000 -0.000 -6.570) 6.570 3.927 ( 0.000 -0.000 0.951) 0.951 3.966 ( 0.000 -0.000 -0.195) 0.195 4.216 ( 0.000 -0.000 -3.587) 3.587 4.226 ( 0.000 -0.000 -11.016) 11.016 4.426 ( 0.000 -0.000 6.045) 6.045 4.849 ( 0.000 -0.000 -4.021) 4.021 4.906 ( 0.000 -0.000 9.880) 9.880 4.947 ( 0.000 -0.000 7.165) 7.165 5.069 ( 0.000 -0.000 1.057) 1.057 5.135 ( -0.000 0.000 -0.226) 0.226 5.152 ( 0.000 -0.000 -2.659) 2.659 5.293 ( 0.000 -0.000 3.496) 3.496 5.382 ( 0.000 -0.000 -1.165) 1.165 5.473 ( 0.000 -0.000 -2.455) 2.455 5.646 ( 0.000 -0.000 1.678) 1.678 5.738 ( 0.000 -0.000 -0.980) 0.980 ======================= Grid point 165 (51/129) ======================= q-point: ( 0.08 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 16.177 -0.000 8.536) 18.291 1.012 ( 22.385 -0.000 4.056) 22.749 1.442 ( 10.690 -0.000 -6.422) 12.471 1.488 ( 3.505 -0.000 -9.988) 10.586 1.549 ( 23.378 -0.000 11.091) 25.875 1.775 ( 3.840 -0.000 3.787) 5.393 1.796 ( 2.524 -0.000 6.733) 7.190 2.042 ( -1.644 0.000 -1.235) 2.056 2.162 ( 15.021 -0.000 2.047) 15.160 2.295 ( -1.929 0.000 2.368) 3.054 2.407 ( -1.203 0.000 0.678) 1.380 2.459 ( 16.659 -0.000 -5.637) 17.586 2.571 ( -2.811 0.000 5.659) 6.319 2.648 ( 0.120 -0.000 5.463) 5.465 2.653 ( 6.182 -0.000 2.203) 6.562 2.758 ( 3.201 -0.000 0.118) 3.203 2.926 ( -2.717 0.000 -2.141) 3.459 3.525 ( 3.183 -0.000 1.266) 3.426 3.586 ( 1.939 -0.000 -3.060) 3.623 3.724 ( -0.048 0.000 -5.159) 5.159 4.004 ( -0.435 0.000 -10.299) 10.308 4.062 ( 10.706 -0.000 -0.216) 10.709 4.103 ( -3.725 0.000 -4.993) 6.230 4.285 ( -0.405 0.000 -4.189) 4.209 4.746 ( -3.105 0.000 -2.265) 3.844 4.847 ( -9.857 0.000 -2.451) 10.158 4.977 ( 1.892 -0.000 4.043) 4.464 4.993 ( 2.084 -0.000 2.160) 3.001 5.084 ( -4.232 0.000 5.363) 6.832 5.162 ( 0.848 -0.000 2.131) 2.293 5.281 ( -1.213 0.000 0.884) 1.501 5.347 ( 1.553 -0.000 -0.223) 1.569 5.378 ( 1.157 -0.000 -0.706) 1.355 5.392 ( -3.779 0.000 0.333) 3.794 5.754 ( -3.449 0.000 4.464) 5.641 5.975 ( -2.370 0.000 -1.916) 3.047 ======================= Grid point 166 (52/129) ======================= q-point: ( 0.17 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 13.412 -0.837 4.682) 14.230 1.424 ( 19.808 3.198 2.806) 20.260 1.544 ( 2.411 -0.195 -5.915) 6.391 1.651 ( 10.266 1.035 -0.527) 10.331 1.842 ( 3.070 2.150 2.457) 4.482 1.852 ( 6.408 -0.285 3.656) 7.383 1.867 ( 3.936 -0.570 1.587) 4.282 2.010 ( -1.425 -0.160 -0.242) 1.454 2.262 ( -0.585 0.838 1.768) 2.042 2.393 ( -0.513 -0.562 -2.264) 2.389 2.476 ( 3.148 -0.680 5.929) 6.748 2.550 ( 4.262 -0.290 5.028) 6.598 2.668 ( 7.685 0.936 3.554) 8.519 2.695 ( 6.934 -3.305 2.554) 8.095 2.843 ( 5.128 4.319 0.162) 6.707 2.869 ( 16.170 -0.006 -0.756) 16.187 2.921 ( 2.950 -4.118 -1.952) 5.429 3.573 ( 1.277 0.011 1.467) 1.945 3.627 ( 1.650 -0.893 -2.921) 3.471 3.710 ( -1.128 0.027 -0.585) 1.271 4.013 ( 1.359 0.379 -14.380) 14.449 4.037 ( -2.195 -0.628 -4.543) 5.085 4.195 ( -7.641 -0.324 1.590) 7.811 4.244 ( 7.015 -0.365 0.360) 7.034 4.557 ( -16.669 0.177 -1.521) 16.739 4.719 ( 0.227 0.111 -5.348) 5.354 4.992 ( 0.101 0.254 7.925) 7.929 5.031 ( 0.969 -0.113 5.056) 5.149 5.043 ( -0.671 0.186 4.762) 4.812 5.171 ( -0.647 0.401 -1.013) 1.267 5.280 ( 0.974 0.454 1.038) 1.494 5.320 ( -2.720 0.431 0.469) 2.794 5.386 ( 0.985 -0.261 -0.341) 1.074 5.405 ( 2.052 -0.227 -3.329) 3.917 5.701 ( -1.356 1.132 5.119) 5.415 5.926 ( -2.486 1.491 -2.288) 3.693 ======================= Grid point 167 (53/129) ======================= q-point: ( 0.25 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( 7.562 -0.498 1.435) 7.713 1.583 ( 1.055 -0.529 -2.907) 3.138 1.738 ( 13.683 4.943 2.117) 14.702 1.813 ( 6.082 1.238 3.517) 7.134 1.844 ( -1.601 4.171 0.631) 4.512 1.876 ( -0.302 2.038 3.243) 3.842 1.956 ( 5.607 3.085 -2.731) 6.958 1.988 ( -0.938 -0.169 0.264) 0.989 2.281 ( 2.144 -2.425 0.847) 3.346 2.375 ( -1.791 -0.896 -1.717) 2.638 2.435 ( -2.663 -0.078 10.181) 10.524 2.588 ( 2.145 -0.527 3.156) 3.853 2.647 ( -4.139 -3.512 0.251) 5.434 2.889 ( 2.879 2.951 1.622) 4.430 3.030 ( 4.365 -4.933 -2.514) 7.051 3.146 ( 21.222 -1.438 2.096) 21.373 3.165 ( 12.286 -0.043 -0.071) 12.286 3.561 ( -2.747 -0.390 1.482) 3.145 3.643 ( -1.014 -0.726 -1.675) 2.088 3.713 ( 2.533 0.191 0.051) 2.540 4.022 ( -0.413 0.127 -3.339) 3.366 4.047 ( -3.690 -0.067 0.086) 3.692 4.067 ( 2.169 -0.703 -12.241) 12.452 4.220 ( -11.455 -0.413 -6.733) 13.294 4.379 ( 2.246 -0.417 6.016) 6.435 4.742 ( 1.831 0.065 -4.349) 4.719 4.984 ( -0.713 0.404 9.261) 9.298 5.016 ( -1.618 -0.100 8.346) 8.502 5.048 ( 0.279 0.131 1.153) 1.193 5.145 ( -1.326 0.267 -1.435) 1.972 5.245 ( -2.825 0.071 -1.303) 3.111 5.318 ( 0.953 1.037 2.019) 2.462 5.385 ( -0.498 -0.691 -1.238) 1.503 5.458 ( 2.536 0.672 -2.970) 3.963 5.681 ( -0.320 1.269 4.243) 4.441 5.858 ( -2.943 2.792 -1.720) 4.407 ======================= Grid point 168 (54/129) ======================= q-point: ( 0.33 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 2.650 0.433 -0.148) 2.689 1.586 ( -0.967 -0.630 -1.538) 1.923 1.730 ( -5.001 6.155 2.732) 8.388 1.792 ( -3.438 3.075 -0.080) 4.614 1.894 ( 3.927 2.507 1.521) 4.901 1.947 ( 4.510 1.258 2.492) 5.304 1.977 ( 0.287 0.053 -0.945) 0.989 2.035 ( 3.343 1.354 -1.311) 3.837 2.318 ( -3.421 0.022 9.438) 10.039 2.363 ( 3.395 -3.517 0.487) 4.912 2.439 ( 2.844 -0.481 1.780) 3.390 2.598 ( -2.656 -3.225 0.101) 4.180 2.650 ( 3.216 -0.183 2.675) 4.187 2.900 ( 0.042 1.391 2.008) 2.443 3.112 ( 1.284 -4.456 -4.368) 6.370 3.294 ( 2.441 -1.074 1.521) 3.071 3.456 ( 1.657 0.082 -0.692) 1.797 3.515 ( 4.514 0.678 1.823) 4.915 3.614 ( -1.247 -0.493 -1.038) 1.696 3.796 ( 4.590 0.484 -3.686) 5.906 3.949 ( -2.452 -0.043 1.102) 2.689 4.011 ( -4.827 0.009 -0.713) 4.880 4.129 ( 6.236 -0.474 -3.503) 7.168 4.176 ( 4.053 -0.099 -13.702) 14.290 4.414 ( 0.571 -0.626 5.384) 5.451 4.788 ( 2.849 -0.327 -2.834) 4.031 4.955 ( -2.169 0.173 8.691) 8.960 4.975 ( -2.226 0.208 8.010) 8.316 5.055 ( 0.551 -0.264 0.938) 1.119 5.125 ( -0.519 0.057 -0.793) 0.949 5.195 ( -2.222 -0.006 -2.578) 3.404 5.314 ( -0.756 0.795 3.067) 3.257 5.380 ( -0.342 -0.488 -1.267) 1.400 5.484 ( 0.504 0.889 -2.564) 2.760 5.664 ( -0.673 0.968 2.670) 2.919 5.787 ( -2.420 2.338 -1.221) 3.580 ======================= Grid point 169 (55/129) ======================= q-point: ( 0.42 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 0.427 0.097 0.001) 0.438 1.551 ( -2.720 1.332 -0.274) 3.041 1.633 ( -0.891 1.446 2.075) 2.681 1.713 ( -2.770 0.651 -0.850) 2.970 1.888 ( -3.729 -2.618 2.665) 5.278 1.970 ( -0.316 0.526 -1.481) 1.603 2.001 ( -0.094 -0.154 -1.746) 1.755 2.055 ( -1.779 -1.660 -0.901) 2.595 2.276 ( 0.064 0.207 13.421) 13.423 2.432 ( 1.633 -1.103 0.728) 2.101 2.497 ( 1.705 2.230 0.031) 2.807 2.598 ( 2.471 -0.247 -0.556) 2.545 2.688 ( 0.032 -0.143 3.581) 3.584 2.893 ( 0.403 0.961 1.737) 2.025 3.150 ( 0.925 -1.918 -4.880) 5.324 3.330 ( 1.481 -1.568 3.214) 3.871 3.428 ( 0.467 0.323 -0.801) 0.982 3.562 ( -0.259 2.113 -2.242) 3.092 3.622 ( 0.443 0.515 -0.080) 0.684 3.840 ( -0.581 -0.231 -6.736) 6.765 3.927 ( 0.006 0.023 0.946) 0.946 3.965 ( -0.155 -0.163 -0.175) 0.285 4.216 ( 0.579 -0.035 -3.615) 3.661 4.225 ( -0.468 -0.155 -10.960) 10.971 4.426 ( 0.895 0.038 6.048) 6.114 4.849 ( 1.122 -0.001 -4.015) 4.169 4.906 ( -0.541 0.007 9.873) 9.888 4.947 ( -0.295 -0.058 7.220) 7.226 5.069 ( 0.516 0.066 0.960) 1.092 5.130 ( 0.791 -0.718 -0.328) 1.117 5.155 ( -1.358 0.360 -2.542) 2.904 5.294 ( -0.523 0.130 3.513) 3.554 5.381 ( 0.226 -0.117 -1.191) 1.218 5.473 ( -0.989 0.068 -2.424) 2.618 5.646 ( -0.797 0.034 1.691) 1.869 5.739 ( -1.736 0.143 -0.985) 2.001 ======================= Grid point 170 (56/129) ======================= q-point: (-0.50 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -2.325 -0.068 0.318) 2.348 1.554 ( 1.582 -3.947 0.924) 4.351 1.632 ( 0.104 0.151 0.062) 0.193 1.693 ( -0.583 -4.812 -1.260) 5.009 1.790 ( -8.426 -5.063 3.060) 10.295 1.910 ( -6.249 -1.708 0.433) 6.492 1.978 ( -3.221 -0.896 -1.575) 3.696 2.008 ( -1.574 -0.490 -0.387) 1.693 2.317 ( 3.491 -0.098 10.116) 10.701 2.417 ( -3.349 1.059 0.626) 3.568 2.494 ( 1.053 4.184 1.211) 4.481 2.650 ( -1.892 0.107 2.890) 3.456 2.683 ( 4.206 2.244 0.247) 4.774 2.904 ( 1.008 1.884 1.152) 2.427 3.158 ( -1.367 -0.497 -4.422) 4.655 3.351 ( -1.771 1.397 3.796) 4.416 3.456 ( -2.910 1.407 -2.638) 4.172 3.519 ( 0.714 1.169 0.816) 1.594 3.627 ( 1.677 0.483 -1.427) 2.254 3.779 ( -5.083 -0.840 -5.546) 7.569 3.951 ( 2.694 0.065 1.012) 2.878 4.008 ( 4.494 -0.276 -0.775) 4.569 4.144 ( -5.565 0.706 -5.453) 7.823 4.176 ( -3.468 -0.082 -10.507) 11.065 4.434 ( -0.403 0.867 5.787) 5.866 4.800 ( -3.171 0.606 -2.095) 3.848 4.953 ( 1.948 0.038 7.921) 8.157 4.967 ( 2.237 -0.399 7.534) 7.869 5.067 ( -0.436 0.789 1.024) 1.364 5.123 ( -0.329 -0.095 -0.468) 0.579 5.186 ( 2.533 -1.045 -2.397) 3.641 5.296 ( 0.238 -0.505 2.706) 2.763 5.389 ( 0.661 0.219 -1.484) 1.639 5.453 ( -1.496 -1.542 -2.098) 3.003 5.636 ( -0.464 -1.171 1.548) 1.996 5.718 ( -1.085 -2.885 -0.930) 3.219 ======================= Grid point 171 (57/129) ======================= q-point: (-0.42 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -5.151 1.003 1.114) 5.364 1.562 ( -10.419 -5.535 1.133) 11.853 1.613 ( -4.941 -2.376 -1.558) 5.700 1.666 ( 0.324 -7.177 1.475) 7.334 1.742 ( -1.124 -5.786 -0.050) 5.894 1.783 ( -5.255 -3.645 3.010) 7.068 1.898 ( -4.269 -1.889 0.285) 4.677 2.006 ( 0.678 1.036 -0.764) 1.455 2.322 ( -4.431 1.334 1.145) 4.767 2.397 ( 3.769 -0.374 5.134) 6.380 2.477 ( -0.372 3.593 2.067) 4.162 2.617 ( -0.115 2.052 4.715) 5.144 2.734 ( 1.344 1.937 -0.166) 2.363 2.888 ( -1.501 3.419 0.418) 3.757 3.080 ( -7.548 -0.982 -2.727) 8.085 3.195 ( -14.269 2.015 2.087) 14.561 3.212 ( -14.899 3.600 -0.344) 15.331 3.577 ( 2.190 0.818 1.158) 2.609 3.674 ( 2.382 1.736 -2.558) 3.902 3.703 ( -1.944 -0.597 -1.840) 2.743 4.022 ( -1.407 0.180 -7.684) 7.814 4.050 ( 5.088 0.241 -0.197) 5.098 4.089 ( -0.517 0.891 -6.436) 6.518 4.237 ( 12.114 0.822 -7.171) 14.101 4.395 ( -2.465 0.815 6.404) 6.910 4.740 ( -2.680 -0.051 -3.921) 4.750 4.974 ( 0.436 -0.273 9.474) 9.488 5.013 ( 1.831 -0.433 7.772) 7.997 5.048 ( -0.959 0.360 1.508) 1.823 5.133 ( 0.702 -0.751 -0.785) 1.293 5.235 ( 1.616 -1.117 -1.138) 2.270 5.296 ( -0.389 -0.267 1.365) 1.444 5.400 ( 0.363 0.126 -1.666) 1.710 5.429 ( -1.949 -1.553 -1.625) 2.975 5.634 ( -0.969 -2.143 2.182) 3.208 5.747 ( 1.734 -5.685 -1.308) 6.086 ======================= Grid point 172 (58/129) ======================= q-point: (-0.33 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.238 ( -14.577 0.942 3.381) 14.994 1.304 ( -14.632 -2.213 5.079) 15.646 1.550 ( -3.084 -0.160 -3.665) 4.792 1.585 ( -9.306 -3.997 -2.699) 10.482 1.738 ( -1.482 -5.966 4.136) 7.409 1.809 ( -1.161 -4.739 0.734) 4.934 1.857 ( -1.417 -1.827 1.576) 2.798 2.019 ( 1.023 0.524 -0.721) 1.357 2.241 ( -3.148 -0.120 2.339) 3.924 2.431 ( -0.373 2.412 -3.517) 4.281 2.484 ( 2.211 -0.480 7.667) 7.993 2.583 ( -6.217 2.195 2.897) 7.201 2.689 ( -8.140 0.030 3.389) 8.817 2.780 ( -9.739 2.946 2.804) 10.554 2.793 ( -10.439 3.591 -0.308) 11.044 2.853 ( -14.550 -1.415 -0.204) 14.620 3.020 ( -4.275 3.458 -2.717) 6.134 3.574 ( -1.880 0.100 1.600) 2.471 3.677 ( -0.333 2.653 -3.523) 4.422 3.707 ( 0.832 -0.316 -1.280) 1.559 4.003 ( -0.439 -0.310 -12.779) 12.790 4.062 ( 1.589 1.169 -5.530) 5.871 4.216 ( 6.834 1.358 1.391) 7.105 4.266 ( -5.842 1.177 0.707) 6.001 4.549 ( 12.944 -0.189 -1.897) 13.084 4.708 ( 0.504 -1.016 -5.554) 5.669 4.980 ( -0.061 -0.501 9.469) 9.482 5.030 ( -0.948 -0.769 2.238) 2.550 5.037 ( 0.248 0.160 6.056) 6.064 5.144 ( -0.264 -1.743 0.439) 1.817 5.256 ( 0.027 -1.188 1.577) 1.975 5.299 ( 0.391 -1.049 0.088) 1.123 5.394 ( -1.519 0.172 -0.546) 1.624 5.419 ( 1.951 0.764 -2.096) 2.964 5.630 ( -1.022 -4.202 3.766) 5.734 5.841 ( 4.108 -4.792 -2.109) 6.655 ======================= Grid point 173 (59/129) ======================= q-point: (-0.25 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( -18.366 0.513 5.637) 19.219 1.013 ( -14.356 4.088 10.159) 18.056 1.416 ( -8.745 -1.572 -6.862) 11.227 1.504 ( -2.308 0.342 -7.001) 7.380 1.701 ( -12.905 6.002 4.057) 14.799 1.723 ( -2.800 -3.445 6.342) 7.741 1.793 ( -5.080 0.609 3.867) 6.413 2.031 ( 0.104 -0.502 -1.472) 1.559 2.150 ( -12.237 -1.264 3.839) 12.887 2.269 ( -4.661 -0.284 1.745) 4.985 2.375 ( -8.774 -1.146 -0.059) 8.848 2.483 ( -5.971 0.266 -2.374) 6.431 2.570 ( 1.690 -0.667 4.448) 4.805 2.644 ( -6.637 -0.426 1.712) 6.868 2.652 ( -5.798 -1.495 2.162) 6.366 2.719 ( 0.558 -0.063 2.436) 2.500 2.981 ( 1.780 3.002 -3.188) 4.727 3.517 ( -3.639 -0.591 1.520) 3.987 3.629 ( -2.617 2.628 -2.338) 4.384 3.724 ( 0.488 0.020 -5.878) 5.898 4.004 ( 0.523 -0.033 -9.830) 9.844 4.075 ( -10.019 0.982 -1.132) 10.131 4.120 ( 3.444 1.275 -4.850) 6.084 4.291 ( -1.591 0.268 -5.001) 5.255 4.673 ( 2.235 -4.925 0.796) 5.466 4.837 ( 6.630 -1.270 -3.304) 7.516 4.974 ( -0.807 0.185 5.991) 6.048 5.010 ( -2.547 -0.607 2.200) 3.419 5.026 ( -0.028 -1.790 3.914) 4.304 5.169 ( 2.440 -0.363 1.468) 2.871 5.267 ( 0.545 -0.534 1.859) 2.010 5.314 ( -0.344 -2.010 1.041) 2.290 5.369 ( 0.066 0.872 -0.186) 0.894 5.471 ( 3.930 3.145 -0.591) 5.068 5.655 ( 0.568 -6.365 6.199) 8.903 5.958 ( 5.866 -1.365 -2.872) 6.672 ======================= Grid point 174 (60/129) ======================= q-point: (-0.17 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.559 ( -11.193 7.405 10.184) 16.848 0.711 ( -11.645 8.191 14.874) 20.590 1.194 ( -24.053 15.852 12.532) 31.415 1.280 ( -5.602 0.994 -8.197) 9.978 1.426 ( -5.219 3.023 -9.120) 10.934 1.718 ( 1.680 -2.858 3.705) 4.972 1.749 ( -0.219 -1.729 7.207) 7.415 1.924 ( -8.462 -1.305 1.254) 8.654 2.045 ( -3.513 -1.469 -2.412) 4.507 2.135 ( -8.956 -2.662 -3.051) 9.829 2.306 ( 2.258 -2.781 2.808) 4.552 2.464 ( 1.400 0.897 1.282) 2.100 2.529 ( -4.594 -3.369 2.758) 6.329 2.557 ( -3.931 -1.165 2.918) 5.032 2.647 ( 3.243 -1.352 1.644) 3.879 2.750 ( 1.805 -0.472 3.576) 4.034 3.035 ( 5.346 4.159 -5.335) 8.622 3.454 ( -2.837 -1.106 1.213) 3.277 3.564 ( -2.428 0.756 -2.083) 3.288 3.722 ( -0.315 0.776 -6.964) 7.014 3.864 ( -8.844 0.990 -3.745) 9.655 4.021 ( 0.355 0.263 -7.560) 7.573 4.106 ( -12.651 -0.535 -13.385) 18.426 4.207 ( -0.141 -1.241 -4.575) 4.742 4.762 ( 2.761 -5.910 5.688) 8.654 4.891 ( -0.708 -1.818 0.836) 2.123 4.924 ( -3.005 0.484 1.646) 3.461 4.995 ( 0.628 1.529 1.932) 2.542 5.072 ( 2.505 -6.928 6.273) 9.676 5.214 ( 1.332 0.422 -0.619) 1.528 5.268 ( -1.435 -1.642 0.612) 2.265 5.305 ( -0.898 -2.127 -0.977) 2.507 5.389 ( 1.237 0.368 3.330) 3.572 5.519 ( 2.908 4.616 0.220) 5.460 5.726 ( 2.196 -6.664 8.900) 11.333 6.087 ( 7.318 2.236 -3.882) 8.581 ======================= Grid point 175 (61/129) ======================= q-point: (-0.08 0.08 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.417 ( -0.000 16.542 10.834) 19.774 0.489 ( -0.000 14.504 16.012) 21.604 0.781 ( -0.000 10.913 30.802) 32.678 1.224 ( -0.000 1.038 -11.825) 11.871 1.347 ( -0.000 1.870 -9.480) 9.663 1.766 ( 0.000 -1.893 11.069) 11.230 1.785 ( -0.000 0.264 1.562) 1.584 1.827 ( 0.000 -0.719 -0.145) 0.733 1.950 ( 0.000 -4.205 -7.772) 8.837 2.103 ( 0.000 -0.513 -1.847) 1.917 2.341 ( 0.000 -0.515 2.208) 2.267 2.490 ( -0.000 0.663 7.522) 7.551 2.506 ( 0.000 -1.094 -1.896) 2.189 2.514 ( 0.000 -5.019 4.726) 6.894 2.721 ( 0.000 -3.958 1.431) 4.208 2.780 ( 0.000 -2.583 4.803) 5.453 3.100 ( -0.000 10.843 -13.687) 17.462 3.430 ( 0.000 -1.050 1.031) 1.472 3.536 ( 0.000 -0.920 -1.839) 2.056 3.707 ( -0.000 0.743 1.587) 1.752 3.770 ( -0.000 1.733 -15.381) 15.479 3.795 ( -0.000 0.392 -0.832) 0.920 4.031 ( -0.000 0.522 -4.605) 4.634 4.224 ( 0.000 -0.312 -4.380) 4.391 4.826 ( 0.000 -4.970 5.065) 7.096 4.876 ( -0.000 0.121 1.298) 1.304 4.896 ( 0.000 -0.210 1.996) 2.007 4.993 ( -0.000 1.605 2.030) 2.588 5.194 ( 0.000 -13.677 4.054) 14.265 5.211 ( -0.000 0.193 0.286) 0.345 5.242 ( -0.000 0.221 -0.458) 0.509 5.311 ( 0.000 -2.385 -2.006) 3.116 5.402 ( 0.000 -1.281 5.901) 6.039 5.521 ( -0.000 4.640 0.325) 4.651 5.792 ( 0.000 -6.863 9.424) 11.658 6.176 ( -0.000 2.217 -6.217) 6.600 ======================= Grid point 178 (62/129) ======================= q-point: ( 0.17 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 7.923 -0.000 1.490) 8.062 1.580 ( 1.034 -0.000 -2.930) 3.107 1.771 ( 13.251 -0.000 2.056) 13.410 1.819 ( 5.619 -0.000 3.754) 6.758 1.867 ( -0.469 0.000 -0.208) 0.513 1.888 ( -0.927 0.000 3.998) 4.104 1.980 ( 6.361 -0.000 -3.201) 7.121 1.988 ( -0.750 0.000 0.717) 1.037 2.262 ( 0.915 -0.000 1.008) 1.361 2.371 ( -1.389 0.000 -2.160) 2.568 2.435 ( -2.939 0.000 10.716) 11.112 2.585 ( 2.360 -0.000 2.768) 3.638 2.625 ( -4.339 0.000 0.274) 4.347 2.918 ( 2.109 -0.000 3.300) 3.917 2.988 ( 4.549 -0.000 -3.667) 5.843 3.137 ( 22.817 -0.000 2.682) 22.974 3.165 ( 11.368 -0.000 -0.756) 11.393 3.559 ( -2.851 0.000 1.537) 3.239 3.638 ( -0.757 0.000 -1.571) 1.743 3.714 ( 2.623 -0.000 0.326) 2.643 4.023 ( -0.943 0.000 -1.811) 2.042 4.046 ( -3.479 0.000 0.117) 3.481 4.063 ( 2.702 -0.000 -13.987) 14.245 4.218 ( -11.392 0.000 -6.647) 13.190 4.376 ( 2.212 -0.000 5.960) 6.357 4.742 ( 1.729 -0.000 -4.413) 4.739 4.987 ( -0.742 0.000 9.214) 9.244 5.015 ( -1.594 0.000 8.412) 8.562 5.049 ( 0.192 -0.000 1.168) 1.184 5.147 ( -1.408 0.000 -1.541) 2.087 5.245 ( -2.935 0.000 -1.200) 3.171 5.325 ( 0.967 -0.000 2.056) 2.272 5.381 ( -0.566 0.000 -1.320) 1.436 5.462 ( 2.601 -0.000 -3.113) 4.057 5.688 ( -0.498 0.000 4.546) 4.573 5.875 ( -3.157 0.000 -1.785) 3.627 ======================= Grid point 179 (63/129) ======================= q-point: ( 0.25 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 3.045 0.207 -0.309) 3.067 1.579 ( -1.080 -0.308 -1.171) 1.622 1.784 ( -5.005 2.389 2.561) 6.109 1.818 ( -3.527 1.142 0.051) 3.708 1.916 ( 0.951 1.171 0.908) 1.761 1.953 ( 4.467 0.010 2.099) 4.936 1.981 ( 0.024 0.332 0.578) 0.667 2.051 ( 0.745 0.936 -1.946) 2.284 2.317 ( 0.655 -0.334 5.088) 5.141 2.328 ( 0.394 -1.710 5.485) 5.759 2.437 ( 3.985 -0.038 1.269) 4.183 2.571 ( -1.159 -1.198 0.447) 1.725 2.648 ( 3.267 -0.071 2.187) 3.933 2.919 ( -0.558 1.357 3.252) 3.568 3.063 ( 2.212 -2.801 -4.763) 5.952 3.288 ( 2.068 -0.114 0.878) 2.250 3.455 ( 0.585 -0.063 -0.462) 0.748 3.522 ( 7.599 0.431 2.058) 7.885 3.610 ( -1.522 -0.225 -1.045) 1.860 3.799 ( 4.433 0.170 -3.231) 5.488 3.949 ( -2.388 -0.017 1.106) 2.631 4.011 ( -4.957 -0.023 -0.693) 5.006 4.125 ( 6.245 -0.169 -3.148) 6.996 4.175 ( 4.295 -0.053 -14.355) 14.983 4.409 ( 0.618 -0.229 5.294) 5.335 4.785 ( 2.736 -0.108 -3.013) 4.071 4.957 ( -2.341 0.082 8.940) 9.242 4.976 ( -2.130 0.064 8.140) 8.415 5.053 ( 0.476 -0.081 0.844) 0.972 5.125 ( -0.706 0.018 -0.925) 1.164 5.195 ( -2.150 -0.033 -2.506) 3.302 5.322 ( -1.087 0.346 3.119) 3.321 5.375 ( -0.063 -0.244 -1.269) 1.294 5.491 ( 0.322 0.308 -2.699) 2.736 5.673 ( -1.036 0.370 2.988) 3.184 5.807 ( -3.292 0.866 -1.296) 3.643 ======================= Grid point 180 (64/129) ======================= q-point: ( 0.33 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -0.433 0.803 -0.486) 1.033 1.556 ( -1.382 -0.451 -1.361) 1.991 1.667 ( -3.659 3.783 3.131) 6.124 1.721 ( -4.723 0.456 0.113) 4.746 1.853 ( -6.205 -2.793 2.098) 7.121 1.976 ( -1.415 0.373 -1.746) 2.279 1.996 ( -0.331 -0.686 -1.501) 1.684 2.030 ( -2.469 -2.074 -1.186) 3.436 2.278 ( -0.070 0.143 13.794) 13.795 2.425 ( 3.789 -0.138 1.330) 4.018 2.526 ( 3.256 2.532 -0.396) 4.144 2.589 ( 3.183 -1.316 -0.669) 3.509 2.686 ( 0.029 -0.139 3.415) 3.418 2.908 ( 0.775 1.333 2.530) 2.963 3.123 ( 2.169 -2.319 -5.466) 6.321 3.314 ( 1.493 -0.975 2.748) 3.276 3.431 ( 0.958 0.171 -0.479) 1.085 3.585 ( 0.007 1.388 -1.864) 2.324 3.631 ( 0.765 0.952 -0.136) 1.229 3.837 ( -1.056 -0.278 -7.135) 7.218 3.927 ( 0.006 0.023 0.936) 0.936 3.963 ( -0.250 -0.173 -0.131) 0.331 4.216 ( 1.080 -0.019 -3.600) 3.759 4.223 ( -0.874 -0.170 -10.916) 10.953 4.427 ( 1.549 0.037 6.055) 6.250 4.849 ( 1.961 -0.002 -4.004) 4.459 4.906 ( -0.937 0.008 9.856) 9.900 4.946 ( -0.524 -0.059 7.332) 7.351 5.070 ( 1.011 0.071 0.744) 1.257 5.122 ( 0.356 -0.548 -0.218) 0.689 5.159 ( -1.490 0.189 -2.598) 3.001 5.295 ( -0.905 0.128 3.544) 3.660 5.380 ( 0.373 -0.115 -1.241) 1.301 5.474 ( -1.683 0.066 -2.365) 2.903 5.646 ( -1.382 0.034 1.716) 2.204 5.741 ( -2.998 0.142 -0.995) 3.162 ======================= Grid point 181 (65/129) ======================= q-point: (-0.58 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -2.959 0.527 0.481) 3.044 1.518 ( -0.706 -1.894 1.150) 2.326 1.622 ( -3.217 -3.605 -0.305) 4.842 1.655 ( -1.828 0.017 -0.707) 1.960 1.735 ( -7.101 -4.022 2.660) 8.584 1.886 ( -6.931 -2.200 -1.286) 7.385 1.964 ( -4.670 -1.118 -0.258) 4.808 2.008 ( 0.582 0.218 -0.636) 0.889 2.315 ( 3.199 -0.147 10.289) 10.776 2.427 ( -3.043 0.706 0.882) 3.246 2.548 ( 1.627 4.721 0.496) 5.018 2.651 ( -1.110 0.039 3.112) 3.304 2.695 ( 4.059 -0.313 0.501) 4.101 2.933 ( 2.389 2.819 1.299) 3.917 3.147 ( -1.403 -1.265 -4.661) 5.029 3.349 ( -1.051 -1.131 3.854) 4.152 3.480 ( -0.207 1.983 -2.345) 3.078 3.539 ( -2.065 2.149 0.342) 3.000 3.631 ( 2.488 0.212 -1.909) 3.143 3.769 ( -5.213 -0.744 -6.630) 8.467 3.951 ( 2.815 0.058 0.945) 2.970 4.005 ( 4.452 -0.264 -0.793) 4.530 4.152 ( -4.658 0.578 -7.623) 8.953 4.175 ( -3.662 -0.161 -7.733) 8.557 4.443 ( -0.335 0.641 6.023) 6.067 4.806 ( -3.265 0.496 -1.686) 3.708 4.954 ( 2.023 0.172 7.623) 7.889 4.962 ( 2.152 -0.341 7.352) 7.669 5.078 ( 0.007 1.081 0.827) 1.361 5.122 ( -0.724 -0.082 -0.391) 0.827 5.169 ( 2.209 -1.674 -1.855) 3.335 5.293 ( 0.449 -0.062 2.132) 2.180 5.391 ( 0.637 0.060 -1.564) 1.689 5.435 ( -2.263 -1.302 -1.919) 3.240 5.624 ( -0.945 -0.887 1.096) 1.698 5.689 ( -2.730 -1.880 -0.797) 3.409 ======================= Grid point 182 (66/129) ======================= q-point: (-0.50 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( -3.690 0.763 0.875) 3.869 1.494 ( -11.933 -5.156 2.094) 13.166 1.549 ( 0.607 -6.463 0.809) 6.542 1.632 ( -2.358 -0.750 -1.636) 2.966 1.665 ( -2.118 -6.150 -0.219) 6.508 1.750 ( -7.540 -2.126 1.948) 8.072 1.878 ( -4.036 -1.360 1.611) 4.554 2.017 ( 0.629 0.837 -1.012) 1.456 2.338 ( -4.545 1.198 1.080) 4.822 2.389 ( 3.512 -0.770 6.050) 7.038 2.518 ( -1.494 2.941 0.796) 3.393 2.647 ( 1.215 2.914 4.511) 5.506 2.745 ( 0.092 0.119 -0.276) 0.314 2.938 ( -0.521 4.488 0.418) 4.537 3.064 ( -8.484 -1.600 -2.113) 8.888 3.215 ( -12.437 1.163 1.528) 12.584 3.251 ( -15.099 2.722 -0.710) 15.359 3.586 ( 1.928 0.729 0.980) 2.282 3.693 ( 0.607 0.621 -4.489) 4.572 3.697 ( 0.544 0.266 -1.691) 1.796 4.025 ( -1.978 0.386 -9.004) 9.227 4.053 ( 5.655 0.275 -0.530) 5.686 4.098 ( 0.038 0.572 -4.168) 4.207 4.246 ( 12.723 0.700 -7.322) 14.696 4.404 ( -2.589 0.695 6.642) 7.162 4.740 ( -3.345 0.010 -3.669) 4.965 4.973 ( 0.284 0.063 9.661) 9.665 5.006 ( 1.837 -0.619 7.520) 7.766 5.056 ( -1.428 0.924 1.738) 2.432 5.123 ( 0.092 -0.954 -0.264) 0.994 5.217 ( 1.185 -1.809 -0.598) 2.243 5.299 ( 0.090 0.858 0.207) 0.887 5.391 ( -0.455 -1.707 -2.331) 2.925 5.416 ( -0.643 -0.338 -0.453) 0.856 5.612 ( -1.837 -1.550 0.972) 2.593 5.682 ( 1.158 -5.054 -1.056) 5.292 ======================= Grid point 183 (67/129) ======================= q-point: (-0.42 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -14.786 -0.162 3.548) 15.207 1.322 ( -8.511 3.722 4.070) 10.142 1.537 ( -6.967 -3.735 -2.736) 8.365 1.542 ( -4.511 -1.523 -2.586) 5.418 1.666 ( -1.488 -5.875 4.618) 7.620 1.731 ( 0.726 -8.239 -0.222) 8.274 1.834 ( -1.470 -1.819 2.440) 3.380 2.026 ( 0.754 0.636 -1.108) 1.484 2.245 ( -3.951 0.747 2.173) 4.571 2.453 ( 1.140 0.603 -2.913) 3.186 2.485 ( 0.562 1.206 7.032) 7.156 2.606 ( -7.446 1.557 2.769) 8.096 2.684 ( -7.439 -0.373 -0.183) 7.450 2.809 ( -10.838 1.673 3.299) 11.452 2.828 ( -14.069 -1.137 -0.365) 14.120 2.866 ( -12.495 6.589 1.475) 14.203 3.054 ( -4.402 2.114 -2.888) 5.673 3.576 ( -2.313 0.188 1.576) 2.806 3.699 ( 1.305 -0.216 -3.316) 3.570 3.709 ( -0.606 1.807 -2.279) 2.971 4.000 ( -0.471 -0.212 -12.744) 12.754 4.075 ( 1.928 1.003 -5.194) 5.630 4.234 ( 6.612 1.516 1.269) 6.901 4.279 ( -5.411 0.964 1.064) 5.598 4.551 ( 10.774 0.477 -2.513) 11.074 4.691 ( 0.208 -1.821 -5.530) 5.826 4.976 ( 0.112 -0.117 10.462) 10.463 5.020 ( -2.133 -0.849 2.266) 3.226 5.038 ( 0.941 0.024 5.283) 5.366 5.121 ( -0.663 -2.044 2.134) 3.029 5.244 ( 1.052 -0.677 1.197) 1.731 5.287 ( -0.606 -0.896 0.164) 1.094 5.394 ( -1.485 -0.060 -0.501) 1.569 5.427 ( 3.392 0.534 -1.550) 3.768 5.580 ( -2.357 -3.941 2.544) 5.250 5.784 ( 5.603 -4.468 -2.159) 7.485 ======================= Grid point 184 (68/129) ======================= q-point: (-0.33 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -12.620 6.604 5.247) 15.179 1.079 ( -11.934 6.603 9.930) 16.871 1.399 ( -7.234 -1.263 -5.954) 9.454 1.499 ( -1.234 -1.303 -3.976) 4.363 1.674 ( -1.566 -4.709 5.783) 7.621 1.724 ( -5.466 -1.369 0.579) 5.664 1.811 ( -3.438 0.852 2.630) 4.412 2.031 ( -0.759 0.563 -1.415) 1.702 2.138 ( -11.102 -0.208 4.735) 12.071 2.276 ( -11.128 0.841 1.149) 11.218 2.365 ( -12.811 -0.627 -0.095) 12.827 2.479 ( -3.408 -0.458 -1.146) 3.625 2.552 ( 0.739 -2.144 4.299) 4.861 2.628 ( -8.410 -1.730 2.198) 8.863 2.652 ( -5.647 1.807 -0.630) 5.962 2.733 ( 0.279 1.875 3.598) 4.067 3.008 ( 0.419 1.268 -3.551) 3.794 3.509 ( -4.101 -0.612 1.678) 4.473 3.654 ( -3.739 1.211 -1.959) 4.391 3.727 ( 1.283 0.687 -5.985) 6.159 4.003 ( 0.483 -0.133 -9.791) 9.804 4.088 ( -9.697 1.163 -1.468) 9.876 4.137 ( 3.689 1.550 -4.988) 6.394 4.292 ( -4.145 -0.130 -5.729) 7.073 4.615 ( 1.034 -4.524 3.268) 5.675 4.816 ( 4.871 -2.181 -3.618) 6.448 4.976 ( -3.115 -3.152 3.517) 5.658 4.980 ( 0.329 0.955 7.631) 7.697 5.034 ( -0.445 1.184 1.485) 1.951 5.158 ( 2.883 -1.372 0.940) 3.329 5.264 ( 0.549 0.077 2.057) 2.130 5.298 ( 0.364 -0.571 2.421) 2.514 5.374 ( 0.156 -0.083 -0.202) 0.269 5.496 ( 3.416 0.232 -0.028) 3.424 5.589 ( 1.442 -3.697 5.877) 7.091 5.940 ( 8.037 -1.599 -3.408) 8.875 ======================= Grid point 185 (69/129) ======================= q-point: (-0.25 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( -2.446 15.855 7.224) 17.595 0.817 ( -8.388 9.550 15.862) 20.326 1.283 ( -4.608 1.194 -8.548) 9.784 1.396 ( -16.869 13.504 4.154) 22.004 1.476 ( -7.617 6.629 -3.302) 10.624 1.677 ( 1.629 -3.885 4.218) 5.962 1.727 ( -0.292 -1.574 6.325) 6.524 1.899 ( -7.903 -2.878 1.379) 8.523 2.024 ( -6.978 -1.982 -1.281) 7.366 2.107 ( -6.638 -2.017 -1.938) 7.203 2.264 ( 2.292 -4.217 3.326) 5.839 2.442 ( -3.762 -4.335 0.534) 5.765 2.505 ( -3.332 -0.848 0.661) 3.501 2.546 ( -2.208 -0.375 4.872) 5.362 2.632 ( 1.999 -0.906 -0.555) 2.263 2.750 ( 1.595 0.359 3.523) 3.884 3.063 ( 5.825 0.314 -6.877) 9.018 3.438 ( -3.242 -1.417 1.367) 3.793 3.568 ( -3.980 -0.195 -2.222) 4.562 3.735 ( 0.116 1.354 -6.116) 6.265 3.877 ( -8.471 1.121 -2.439) 8.886 4.025 ( 0.081 0.517 -10.204) 10.217 4.086 ( -15.623 -2.909 -10.221) 18.895 4.202 ( 2.455 0.718 -4.738) 5.384 4.687 ( 2.157 -5.914 9.328) 11.254 4.865 ( -0.254 -2.615 0.469) 2.669 4.924 ( -2.563 -0.781 1.578) 3.110 5.003 ( 1.464 -0.864 6.268) 6.495 5.028 ( 0.395 0.415 3.017) 3.070 5.212 ( 1.525 -0.806 -1.707) 2.427 5.253 ( -1.577 -0.947 0.718) 1.975 5.286 ( -1.448 -0.781 -0.037) 1.645 5.391 ( 0.537 -0.032 3.472) 3.513 5.562 ( 3.201 1.498 1.327) 3.775 5.667 ( 3.649 -2.468 8.862) 9.896 6.105 ( 7.908 0.974 -5.171) 9.499 ======================= Grid point 186 (70/129) ======================= q-point: (-0.17 0.17 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.606 ( -0.000 14.194 12.539) 18.939 0.696 ( -0.000 19.159 10.533) 21.863 0.973 ( -0.000 20.133 17.921) 26.954 1.243 ( -0.000 2.396 -8.519) 8.849 1.378 ( -0.000 3.118 -7.696) 8.304 1.741 ( 0.000 -2.286 9.714) 9.980 1.789 ( -0.000 0.217 0.624) 0.660 1.814 ( 0.000 -1.396 0.005) 1.396 1.881 ( 0.000 -6.962 -3.133) 7.635 2.093 ( 0.000 -1.097 -1.540) 1.891 2.332 ( 0.000 -1.017 2.147) 2.375 2.416 ( 0.000 -9.466 4.173) 10.345 2.488 ( 0.000 -1.825 -1.760) 2.536 2.517 ( -0.000 2.074 6.133) 6.474 2.675 ( 0.000 -3.185 0.997) 3.338 2.770 ( 0.000 -0.157 3.986) 3.989 3.180 ( -0.000 2.142 -18.032) 18.159 3.414 ( 0.000 -1.695 1.109) 2.026 3.520 ( 0.000 -1.696 -1.700) 2.401 3.719 ( -0.000 1.207 1.447) 1.884 3.796 ( -0.000 2.398 -13.467) 13.679 3.802 ( -0.000 0.663 -0.752) 1.003 4.038 ( -0.000 0.520 -6.269) 6.291 4.224 ( -0.000 0.478 -4.930) 4.953 4.750 ( 0.000 -6.983 10.292) 12.438 4.870 ( 0.000 -1.469 0.951) 1.750 4.898 ( -0.000 0.407 2.131) 2.170 5.014 ( -0.000 1.847 2.838) 3.386 5.061 ( 0.000 -7.215 6.812) 9.923 5.214 ( -0.000 0.346 0.292) 0.453 5.245 ( -0.000 0.370 -0.460) 0.590 5.276 ( 0.000 -3.146 -2.033) 3.746 5.395 ( 0.000 -0.132 6.278) 6.279 5.577 ( -0.000 4.203 0.698) 4.261 5.727 ( 0.000 -3.928 9.931) 10.679 6.194 ( -0.000 0.984 -7.047) 7.115 ======================= Grid point 191 (71/129) ======================= q-point: ( 0.25 0.25 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -2.089 0.000 -0.060) 2.090 1.548 ( 0.569 -0.000 -2.166) 2.240 1.699 ( -3.339 0.000 3.649) 4.946 1.721 ( -6.708 0.000 0.471) 6.725 1.833 ( -7.514 0.000 1.582) 7.679 1.978 ( -4.095 0.000 -2.878) 5.005 1.989 ( 0.971 -0.000 -0.425) 1.060 2.017 ( -1.518 0.000 -1.254) 1.969 2.279 ( -0.172 0.000 13.993) 13.994 2.425 ( 4.545 -0.000 1.433) 4.765 2.548 ( 5.657 -0.000 -0.805) 5.714 2.574 ( 1.579 -0.000 -0.397) 1.628 2.686 ( 0.016 -0.000 3.337) 3.337 2.918 ( 0.902 -0.000 3.104) 3.233 3.107 ( 2.806 -0.000 -5.932) 6.562 3.308 ( 1.292 -0.000 2.572) 2.878 3.432 ( 1.141 -0.000 -0.388) 1.205 3.593 ( 0.203 -0.000 -1.625) 1.637 3.639 ( 0.883 -0.000 -0.188) 0.903 3.835 ( -1.256 0.000 -7.379) 7.485 3.928 ( 0.004 -0.000 0.931) 0.931 3.962 ( -0.277 0.000 -0.106) 0.296 4.216 ( 1.350 -0.000 -3.496) 3.748 4.222 ( -1.103 0.000 -10.992) 11.047 4.427 ( 1.788 -0.000 6.059) 6.317 4.849 ( 2.274 -0.000 -3.998) 4.600 4.906 ( -1.082 0.000 9.846) 9.905 4.945 ( -0.612 0.000 7.389) 7.415 5.071 ( 1.249 -0.000 0.623) 1.395 5.118 ( 0.048 -0.000 -0.126) 0.135 5.160 ( -1.459 0.000 -2.649) 3.024 5.296 ( -1.045 0.000 3.559) 3.709 5.379 ( 0.422 -0.000 -1.264) 1.333 5.475 ( -1.927 0.000 -2.337) 3.029 5.646 ( -1.597 0.000 1.729) 2.353 5.742 ( -3.457 0.000 -1.000) 3.599 ======================= Grid point 192 (72/129) ======================= q-point: (-0.67 0.25 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -1.694 -0.356 0.972) 1.985 1.511 ( -3.556 1.109 -0.507) 3.759 1.577 ( -7.309 -2.808 1.272) 7.932 1.669 ( -2.182 1.745 0.260) 2.806 1.695 ( -5.022 -2.727 1.472) 5.902 1.865 ( -6.757 -1.107 -2.477) 7.281 1.955 ( -4.725 -0.345 0.691) 4.788 2.010 ( 1.018 0.113 -0.807) 1.304 2.314 ( 3.025 -0.072 10.346) 10.779 2.433 ( -2.955 0.265 0.926) 3.108 2.597 ( -0.210 2.899 0.073) 2.907 2.652 ( 2.664 0.144 1.268) 2.954 2.681 ( 2.638 -1.484 2.771) 4.104 2.961 ( 3.205 1.476 1.698) 3.916 3.133 ( -1.147 -0.744 -5.251) 5.426 3.336 ( -0.766 -0.703 3.582) 3.730 3.495 ( 2.174 0.576 -1.572) 2.744 3.562 ( -5.661 1.296 0.393) 5.820 3.632 ( 3.734 -0.050 -2.579) 4.538 3.762 ( -5.216 -0.316 -7.406) 9.064 3.952 ( 2.891 0.024 0.904) 3.029 4.002 ( 4.477 -0.108 -0.798) 4.549 4.157 ( -3.577 0.261 -10.607) 11.197 4.173 ( -4.301 -0.113 -4.412) 6.163 4.449 ( -0.300 0.237 6.179) 6.191 4.811 ( -3.304 0.192 -1.420) 3.602 4.957 ( 2.169 0.182 7.504) 7.813 4.959 ( 2.037 -0.217 7.228) 7.513 5.091 ( 0.643 0.790 0.588) 1.176 5.121 ( -0.719 -0.061 -0.389) 0.820 5.151 ( 1.315 -1.080 -1.369) 2.184 5.293 ( 0.819 0.056 1.691) 1.880 5.391 ( 0.587 0.002 -1.592) 1.697 5.424 ( -2.882 -0.527 -1.831) 3.454 5.616 ( -1.309 -0.349 0.871) 1.611 5.674 ( -3.563 -0.616 -0.731) 3.689 ======================= Grid point 193 (73/129) ======================= q-point: (-0.58 0.25 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -5.312 -2.229 1.321) 5.910 1.449 ( -6.199 -0.760 0.977) 6.321 1.493 ( -0.199 -2.689 1.947) 3.326 1.588 ( -3.224 -4.522 -0.260) 5.559 1.638 ( -4.886 -0.190 -1.897) 5.245 1.732 ( -7.594 -0.967 0.972) 7.717 1.866 ( -3.882 -0.695 2.574) 4.709 2.025 ( 0.660 0.457 -1.171) 1.420 2.349 ( -4.554 0.704 0.836) 4.683 2.381 ( 3.314 -0.527 6.153) 7.009 2.544 ( -2.108 1.481 0.826) 2.706 2.684 ( 1.493 3.002 3.616) 4.931 2.740 ( 0.373 -0.997 -0.037) 1.065 2.985 ( -0.733 3.008 0.664) 3.167 3.047 ( -8.974 -1.116 -1.685) 9.199 3.222 ( -10.317 0.224 0.862) 10.355 3.276 ( -15.793 1.438 -0.779) 15.877 3.593 ( 1.761 0.436 0.851) 2.003 3.688 ( -1.636 -0.437 -4.638) 4.938 3.710 ( 3.017 0.850 -2.864) 4.246 4.030 ( -2.268 0.381 -10.075) 10.334 4.056 ( 5.838 0.182 -0.840) 5.901 4.103 ( 0.451 0.225 -2.400) 2.453 4.253 ( 13.287 0.396 -7.379) 15.204 4.411 ( -2.675 0.396 6.814) 7.331 4.740 ( -3.925 0.034 -3.489) 5.251 4.975 ( 0.183 0.291 10.001) 10.007 4.999 ( 1.810 -0.559 7.344) 7.585 5.070 ( -2.003 1.458 1.693) 3.001 5.109 ( -0.723 -1.264 0.569) 1.563 5.196 ( 1.792 -1.453 -0.798) 2.441 5.315 ( 0.061 1.668 -0.670) 1.799 5.365 ( -0.563 -2.348 -1.792) 3.007 5.416 ( 0.043 0.057 -0.527) 0.532 5.599 ( -2.741 -0.598 0.076) 2.807 5.632 ( 0.967 -3.145 -0.802) 3.387 ======================= Grid point 194 (74/129) ======================= q-point: (-0.50 0.25 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -9.598 4.000 2.672) 10.736 1.370 ( -5.429 3.842 2.417) 7.077 1.498 ( -3.758 -2.426 -1.444) 4.701 1.518 ( -6.265 -2.283 -2.341) 7.067 1.604 ( -3.562 -4.526 5.164) 7.735 1.620 ( 0.830 -9.936 0.490) 9.982 1.816 ( -1.858 -1.124 3.119) 3.801 2.033 ( 0.565 0.574 -1.495) 1.699 2.256 ( -4.179 0.986 1.544) 4.563 2.448 ( 2.718 -0.746 1.682) 3.282 2.509 ( -0.946 2.185 2.035) 3.132 2.620 ( -10.186 0.855 2.191) 10.454 2.682 ( -7.808 -0.146 -1.918) 8.041 2.802 ( -13.706 -1.610 1.596) 13.893 2.834 ( -10.319 1.278 3.210) 10.882 2.948 ( -12.269 6.372 0.434) 13.832 3.070 ( -4.896 0.459 -2.543) 5.536 3.578 ( -2.694 0.194 1.453) 3.067 3.692 ( 0.745 -0.630 -3.230) 3.374 3.728 ( -0.162 1.219 -2.868) 3.121 3.998 ( -0.640 -0.142 -12.857) 12.874 4.086 ( 2.386 0.678 -4.850) 5.447 4.251 ( 7.016 1.293 1.164) 7.229 4.288 ( -5.657 0.472 1.459) 5.861 4.562 ( 9.811 1.367 -3.509) 10.509 4.665 ( -1.227 -2.459 -5.089) 5.783 4.977 ( 0.181 0.263 11.105) 11.109 5.011 ( -3.182 -0.524 2.189) 3.897 5.037 ( 1.716 -0.247 5.306) 5.582 5.098 ( -0.817 -1.747 3.647) 4.126 5.240 ( 2.200 -0.055 0.249) 2.215 5.278 ( -1.123 -0.593 0.402) 1.332 5.392 ( -1.912 -0.252 -0.136) 1.933 5.431 ( 4.234 0.171 -1.354) 4.449 5.541 ( -2.946 -2.534 1.454) 4.149 5.738 ( 6.936 -3.172 -2.355) 7.982 ======================= Grid point 195 (75/129) ======================= q-point: (-0.42 0.25 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -5.858 11.892 3.362) 13.676 1.163 ( -10.565 7.174 9.043) 15.649 1.389 ( -5.643 -0.191 -3.801) 6.806 1.473 ( -0.775 -2.973 -1.121) 3.271 1.610 ( -0.539 -5.970 4.153) 7.293 1.687 ( -1.220 -4.753 -0.196) 4.911 1.801 ( -0.930 -1.911 2.587) 3.348 2.039 ( -0.003 0.616 -1.669) 1.779 2.146 ( -10.414 1.383 4.233) 11.326 2.274 ( -14.710 -1.603 0.437) 14.803 2.356 ( -15.796 -0.769 -1.174) 15.859 2.490 ( -3.133 2.331 0.952) 4.019 2.526 ( 0.340 -2.134 2.202) 3.086 2.613 ( -8.362 -0.842 2.337) 8.723 2.686 ( -6.409 3.672 -0.202) 7.389 2.757 ( -1.360 2.209 3.412) 4.286 3.009 ( -1.618 -1.140 -3.271) 3.823 3.503 ( -4.577 -0.489 1.701) 4.907 3.656 ( -4.583 -0.615 -2.690) 5.349 3.739 ( 1.681 1.207 -4.658) 5.097 4.001 ( 0.454 -0.190 -10.032) 10.044 4.101 ( -9.721 0.998 -1.488) 9.884 4.155 ( 4.094 1.333 -5.101) 6.676 4.288 ( -7.015 -0.459 -6.247) 9.404 4.571 ( 0.727 -2.811 4.936) 5.726 4.788 ( 3.814 -2.408 -3.605) 5.775 4.944 ( -3.106 -2.134 2.994) 4.813 4.996 ( 1.106 1.608 8.535) 8.755 5.046 ( -0.269 0.740 1.669) 1.845 5.138 ( 2.839 -1.916 0.674) 3.491 5.270 ( 0.608 1.052 1.458) 1.897 5.300 ( 1.785 0.749 4.299) 4.715 5.366 ( -0.084 -1.241 -0.120) 1.249 5.467 ( -0.309 -4.064 2.222) 4.642 5.579 ( 5.561 1.009 2.926) 6.365 5.922 ( 9.786 -1.378 -3.796) 10.587 ======================= Grid point 196 (76/129) ======================= q-point: (-0.33 0.25 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -4.288 13.129 8.847) 16.402 0.951 ( -0.127 14.729 10.494) 18.085 1.298 ( -3.106 1.494 -5.094) 6.150 1.474 ( -3.121 2.370 -4.705) 6.123 1.577 ( -8.368 2.966 2.336) 9.181 1.644 ( -0.490 0.200 3.987) 4.022 1.732 ( -4.248 4.156 5.834) 8.327 1.855 ( -8.114 -4.288 2.131) 9.421 2.002 ( -9.609 -1.498 -0.655) 9.747 2.085 ( -4.636 -1.781 -2.625) 5.618 2.210 ( 0.104 -4.456 3.945) 5.953 2.393 ( -5.863 -3.023 1.739) 6.822 2.492 ( -3.689 -1.250 -1.218) 4.081 2.544 ( -0.260 -0.411 7.006) 7.023 2.630 ( 0.585 0.658 -3.205) 3.324 2.755 ( 1.139 0.422 3.153) 3.379 3.041 ( 3.773 -3.986 -6.482) 8.493 3.422 ( -3.675 -1.340 1.455) 4.174 3.558 ( -5.290 -1.513 -2.499) 6.044 3.753 ( 0.251 1.498 -4.624) 4.867 3.890 ( -8.019 1.006 -1.186) 8.169 4.030 ( -1.986 0.069 -12.582) 12.737 4.045 ( -13.291 -3.342 -5.398) 14.729 4.223 ( 2.992 2.517 -6.545) 7.624 4.631 ( 2.095 -3.471 9.816) 10.620 4.831 ( 0.030 -2.898 0.092) 2.900 4.908 ( -1.668 -1.613 1.708) 2.881 5.004 ( 0.593 1.063 5.949) 6.072 5.044 ( 0.727 1.654 3.561) 3.993 5.195 ( 1.781 -2.016 -2.251) 3.507 5.247 ( -1.858 -0.021 0.787) 2.018 5.285 ( -1.975 0.481 0.300) 2.055 5.388 ( 0.760 -0.406 3.114) 3.231 5.541 ( 3.781 -3.795 6.033) 8.068 5.676 ( 4.628 2.827 4.875) 7.292 6.113 ( 8.319 0.359 -5.488) 9.972 ======================= Grid point 197 (77/129) ======================= q-point: (-0.25 0.25 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( -0.000 11.641 15.763) 19.596 0.928 ( -0.000 19.386 7.040) 20.625 1.199 ( -0.000 12.426 -2.720) 12.720 1.305 ( -0.000 11.774 4.039) 12.448 1.418 ( -0.000 3.375 -5.113) 6.127 1.708 ( 0.000 -3.465 6.213) 7.114 1.780 ( 0.000 -2.453 -0.274) 2.468 1.800 ( 0.000 -5.689 3.207) 6.531 1.802 ( 0.000 -0.072 -0.319) 0.327 2.079 ( 0.000 -1.191 -1.985) 2.315 2.295 ( 0.000 -10.242 4.393) 11.145 2.318 ( 0.000 -1.374 2.114) 2.521 2.465 ( 0.000 -1.957 -1.609) 2.534 2.538 ( -0.000 1.172 5.761) 5.879 2.646 ( 0.000 -1.632 -1.605) 2.289 2.770 ( -0.000 0.204 3.554) 3.560 3.156 ( 0.000 -5.624 -15.245) 16.249 3.392 ( 0.000 -1.827 1.169) 2.168 3.497 ( 0.000 -2.084 -1.528) 2.584 3.734 ( -0.000 1.286 1.317) 1.841 3.810 ( -0.000 0.745 -0.645) 0.986 3.822 ( -0.000 1.742 -10.325) 10.471 4.043 ( -0.000 0.346 -8.770) 8.777 4.239 ( -0.000 2.095 -6.120) 6.468 4.678 ( 0.000 -4.839 11.481) 12.459 4.845 ( 0.000 -2.480 0.981) 2.667 4.897 ( 0.000 -0.637 1.566) 1.690 5.011 ( 0.000 -0.956 5.726) 5.805 5.042 ( -0.000 1.946 3.406) 3.923 5.219 ( -0.000 0.415 0.296) 0.510 5.239 ( 0.000 -3.027 -1.883) 3.565 5.250 ( -0.000 0.408 -0.459) 0.614 5.395 ( -0.000 0.223 5.238) 5.243 5.599 ( 0.000 -1.283 3.641) 3.860 5.711 ( -0.000 1.546 7.407) 7.567 6.203 ( -0.000 0.485 -6.789) 6.806 ======================= Grid point 204 (78/129) ======================= q-point: (-0.67 0.33 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -6.021 0.000 1.739) 6.268 1.448 ( -3.047 0.000 0.043) 3.048 1.479 ( -0.693 0.000 2.405) 2.502 1.559 ( -5.212 0.000 0.160) 5.214 1.637 ( -5.115 0.000 -2.214) 5.574 1.726 ( -7.455 0.000 0.653) 7.484 1.862 ( -3.830 0.000 2.922) 4.818 2.028 ( 0.686 -0.000 -1.228) 1.407 2.354 ( -4.561 0.000 0.702) 4.615 2.378 ( 3.262 -0.000 6.161) 6.971 2.553 ( -2.228 0.000 0.931) 2.414 2.709 ( 0.537 -0.000 3.867) 3.904 2.727 ( 1.530 -0.000 -0.583) 1.637 3.004 ( -1.054 0.000 0.915) 1.396 3.039 ( -9.093 0.000 -1.620) 9.236 3.223 ( -9.513 0.000 0.576) 9.530 3.284 ( -15.954 0.000 -0.807) 15.975 3.596 ( 1.706 -0.000 0.804) 1.886 3.686 ( -1.603 0.000 -4.962) 5.215 3.715 ( 2.996 -0.000 -3.016) 4.252 4.033 ( -2.348 0.000 -10.584) 10.841 4.057 ( 5.828 -0.000 -0.959) 5.906 4.104 ( 0.630 -0.000 -1.652) 1.768 4.255 ( 13.520 -0.000 -7.388) 15.407 4.413 ( -2.705 0.000 6.876) 7.389 4.740 ( -4.157 0.000 -3.426) 5.386 4.978 ( 0.097 -0.000 10.382) 10.382 4.995 ( 1.851 -0.000 7.069) 7.307 5.085 ( -3.053 0.000 1.238) 3.295 5.096 ( -0.475 0.000 1.492) 1.566 5.187 ( 2.372 -0.000 -1.152) 2.637 5.338 ( -4.222 0.000 -1.887) 4.624 5.338 ( 3.769 -0.000 -0.635) 3.822 5.416 ( 0.170 -0.000 -0.586) 0.610 5.596 ( -4.019 0.000 -0.362) 4.035 5.612 ( 1.826 -0.000 -0.579) 1.915 ======================= Grid point 206 (79/129) ======================= q-point: (-0.58 0.33 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -4.168 5.306 0.275) 6.753 1.402 ( -1.869 0.930 0.368) 2.120 1.484 ( -0.488 -0.023 0.144) 0.509 1.494 ( -7.197 -1.741 -1.445) 7.545 1.513 ( -1.820 -6.217 1.657) 6.686 1.562 ( -7.755 -2.328 6.219) 10.209 1.807 ( -2.097 -0.370 3.493) 4.091 2.038 ( 0.509 0.241 -1.752) 1.840 2.266 ( -4.087 0.462 1.043) 4.243 2.441 ( 2.932 -0.348 2.724) 4.017 2.528 ( -0.814 0.940 0.377) 1.300 2.627 ( -12.037 0.310 1.559) 12.141 2.679 ( -9.053 -0.205 -2.365) 9.359 2.788 ( -12.657 -0.604 2.298) 12.878 2.845 ( -10.391 0.513 3.794) 11.074 3.008 ( -10.937 3.251 -0.985) 11.452 3.066 ( -5.721 -0.757 -1.586) 5.985 3.580 ( -2.925 0.084 1.336) 3.217 3.686 ( 0.485 -0.294 -3.612) 3.656 3.738 ( -0.084 0.362 -2.673) 2.699 3.997 ( -0.790 -0.051 -12.983) 13.007 4.091 ( 2.703 0.240 -4.644) 5.379 4.263 ( 8.203 0.562 1.058) 8.290 4.290 ( -6.756 0.070 1.758) 6.981 4.580 ( 12.216 1.410 -4.874) 13.228 4.637 ( -5.143 -1.835 -4.025) 6.783 4.980 ( -0.298 0.190 10.805) 10.811 5.008 ( -3.247 -0.082 3.050) 4.456 5.033 ( 2.239 -0.246 5.545) 5.985 5.083 ( -0.858 -0.697 4.106) 4.252 5.241 ( 3.086 0.106 -0.587) 3.143 5.273 ( -1.304 -0.211 0.644) 1.469 5.389 ( -2.615 -0.174 0.285) 2.636 5.432 ( 4.512 -0.007 -1.414) 4.728 5.521 ( -2.855 -0.802 0.909) 3.102 5.712 ( 7.714 -1.155 -2.553) 8.207 ======================= Grid point 207 (80/129) ======================= q-point: (-0.50 0.33 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -2.214 12.582 0.882) 12.806 1.243 ( -9.552 6.081 6.796) 13.207 1.396 ( -4.003 1.308 -0.080) 4.212 1.434 ( -0.767 -3.215 0.932) 3.434 1.533 ( 0.098 -6.956 1.061) 7.038 1.613 ( 3.251 -6.988 2.162) 8.005 1.780 ( -1.308 -1.332 3.508) 3.974 2.045 ( 0.277 0.405 -2.036) 2.095 2.168 ( -9.632 2.169 2.911) 10.293 2.242 ( -16.681 -3.182 0.485) 16.989 2.352 ( -17.510 -0.025 -2.362) 17.669 2.500 ( 1.371 -1.432 4.410) 4.835 2.523 ( -2.584 1.987 -2.333) 4.008 2.608 ( -8.891 -0.101 2.649) 9.277 2.725 ( -4.303 2.158 2.281) 5.327 2.792 ( -5.732 3.711 1.004) 6.902 2.984 ( -3.704 -2.742 -2.361) 5.178 3.498 ( -4.936 -0.273 1.614) 5.200 3.645 ( -4.992 -0.900 -3.325) 6.065 3.752 ( 1.698 0.742 -3.331) 3.811 3.999 ( 0.443 -0.140 -10.334) 10.345 4.111 ( -9.869 0.567 -1.409) 9.985 4.167 ( 3.934 0.666 -4.920) 6.335 4.283 ( -8.624 -0.279 -6.532) 10.822 4.548 ( 1.059 -1.124 5.467) 5.681 4.763 ( 3.353 -1.618 -3.478) 5.095 4.925 ( -2.966 -1.027 2.339) 3.915 5.016 ( 1.790 1.693 9.694) 10.002 5.050 ( -0.317 0.023 2.329) 2.351 5.116 ( 2.794 -1.548 -0.112) 3.196 5.289 ( 0.908 1.991 0.761) 2.316 5.313 ( 3.928 1.383 6.646) 7.843 5.345 ( -0.561 -2.115 0.060) 2.189 5.420 ( -2.648 -3.381 1.312) 4.490 5.593 ( 7.063 1.002 2.081) 7.432 5.909 ( 10.947 -0.788 -4.040) 11.695 ======================= Grid point 208 (81/129) ======================= q-point: (-0.42 0.33 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.009 ( -7.324 7.224 13.934) 17.320 1.150 ( 4.641 16.490 1.085) 17.165 1.323 ( -1.932 2.786 0.638) 3.449 1.475 ( 1.673 -2.229 -1.734) 3.282 1.558 ( -3.337 -2.631 1.635) 4.553 1.648 ( -0.150 -0.070 0.633) 0.654 1.768 ( -1.695 -3.747 2.738) 4.940 1.841 ( -12.386 4.063 3.292) 13.445 1.986 ( -11.476 -1.376 -1.425) 11.646 2.065 ( -3.015 -1.058 -2.898) 4.313 2.168 ( -2.075 -2.296 4.417) 5.393 2.379 ( -7.526 0.795 2.676) 8.027 2.478 ( -3.890 -0.981 -2.087) 4.522 2.534 ( 0.279 -1.063 7.733) 7.811 2.649 ( -0.820 2.633 -3.829) 4.719 2.756 ( 0.675 -0.391 2.000) 2.147 2.976 ( 0.689 -6.355 -4.491) 7.812 3.408 ( -4.028 -0.948 1.442) 4.382 3.537 ( -5.960 -1.801 -2.404) 6.674 3.769 ( 0.160 1.098 -3.264) 3.447 3.900 ( -7.537 0.770 -0.243) 7.580 4.006 ( -14.812 -2.430 -3.596) 15.435 4.035 ( 0.841 0.024 -13.052) 13.079 4.255 ( 3.258 2.592 -7.921) 8.948 4.602 ( 2.158 -1.427 8.770) 9.143 4.799 ( 0.121 -2.420 -0.098) 2.425 4.891 ( -1.229 -1.096 1.492) 2.222 5.021 ( 0.114 1.439 4.498) 4.724 5.063 ( 1.345 1.461 6.132) 6.445 5.169 ( 1.573 -2.195 -2.456) 3.650 5.251 ( -2.161 0.508 0.551) 2.288 5.294 ( -2.812 0.862 0.075) 2.942 5.382 ( 1.623 -0.500 2.448) 2.979 5.494 ( 4.516 -3.695 8.379) 10.210 5.710 ( 5.112 2.521 3.654) 6.770 6.115 ( 8.644 0.105 -5.495) 10.243 ======================= Grid point 209 (82/129) ======================= q-point: (-0.33 0.33 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -0.000 9.206 17.181) 19.492 1.151 ( -0.000 17.752 4.767) 18.381 1.265 ( -0.000 2.969 -4.999) 5.814 1.455 ( -0.000 2.720 -2.332) 3.583 1.477 ( -0.000 9.269 1.689) 9.422 1.674 ( -0.000 0.097 3.675) 3.676 1.733 ( 0.000 -5.309 0.049) 5.309 1.766 ( -0.000 0.445 7.045) 7.059 1.806 ( -0.000 0.466 -1.946) 2.001 2.061 ( 0.000 -2.039 -2.464) 3.198 2.189 ( 0.000 -6.635 5.489) 8.611 2.301 ( 0.000 -1.308 2.120) 2.491 2.444 ( 0.000 -1.545 -1.514) 2.163 2.542 ( 0.000 -0.473 6.849) 6.866 2.638 ( -0.000 0.378 -3.838) 3.856 2.772 ( 0.000 -0.048 2.398) 2.399 3.060 ( 0.000 -9.930 -10.292) 14.301 3.372 ( 0.000 -1.507 1.185) 1.917 3.473 ( 0.000 -1.903 -1.365) 2.342 3.749 ( -0.000 1.038 1.238) 1.616 3.819 ( -0.000 0.631 -0.541) 0.831 3.837 ( -0.000 0.945 -7.282) 7.343 4.045 ( -0.000 0.046 -11.142) 11.142 4.271 ( -0.000 3.067 -7.553) 8.152 4.636 ( 0.000 -2.325 10.052) 10.318 4.814 ( 0.000 -2.648 0.734) 2.747 4.886 ( 0.000 -1.056 1.356) 1.719 5.015 ( -0.000 1.071 4.403) 4.531 5.066 ( -0.000 2.076 5.165) 5.566 5.204 ( 0.000 -2.835 -1.694) 3.302 5.224 ( -0.000 0.372 0.295) 0.474 5.255 ( -0.000 0.339 -0.453) 0.566 5.399 ( -0.000 0.334 3.830) 3.845 5.564 ( 0.000 -3.584 7.373) 8.198 5.745 ( -0.000 3.328 4.801) 5.841 6.207 ( -0.000 0.259 -6.406) 6.411 ======================= Grid point 218 (83/129) ======================= q-point: (-0.58 0.42 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -11.623 0.000 6.163) 13.155 1.314 ( 0.557 -0.000 -3.982) 4.021 1.401 ( 0.765 -0.000 0.917) 1.194 1.417 ( -5.195 0.000 5.019) 7.223 1.469 ( 1.090 -0.000 0.595) 1.241 1.560 ( 5.217 -0.000 3.357) 6.203 1.772 ( -1.570 0.000 3.893) 4.198 2.048 ( 0.314 -0.000 -2.209) 2.231 2.192 ( -3.953 0.000 2.211) 4.530 2.212 ( -22.974 0.000 0.677) 22.984 2.352 ( -18.333 0.000 -2.778) 18.542 2.490 ( 1.556 -0.000 2.484) 2.931 2.536 ( -1.143 0.000 -0.798) 1.394 2.608 ( -9.514 0.000 2.607) 9.865 2.736 ( -2.735 0.000 3.611) 4.530 2.823 ( -8.081 0.000 -0.799) 8.120 2.961 ( -4.623 0.000 -1.507) 4.862 3.497 ( -5.070 0.000 1.558) 5.304 3.639 ( -5.153 0.000 -3.490) 6.223 3.756 ( 1.711 -0.000 -2.847) 3.321 3.998 ( 0.438 -0.000 -10.468) 10.477 4.114 ( -9.931 0.000 -1.373) 10.026 4.171 ( 3.589 -0.000 -4.744) 5.948 4.282 ( -8.872 0.000 -6.662) 11.095 4.542 ( 1.250 -0.000 5.509) 5.649 4.753 ( 3.234 -0.000 -3.418) 4.705 4.919 ( -2.901 0.000 2.094) 3.578 5.030 ( 2.586 -0.000 11.311) 11.603 5.048 ( -0.926 0.000 2.095) 2.291 5.106 ( 2.809 -0.000 -1.088) 3.013 5.311 ( 3.703 -0.000 0.119) 3.705 5.322 ( -0.982 0.000 2.134) 2.350 5.325 ( 3.736 -0.000 7.216) 8.126 5.397 ( -4.831 0.000 -0.606) 4.868 5.599 ( 7.439 -0.000 1.978) 7.698 5.904 ( 11.356 -0.000 -4.126) 12.082 ======================= Grid point 220 (84/129) ======================= q-point: (-0.50 0.42 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -7.469 2.554 13.917) 16.000 1.310 ( 1.648 9.068 -1.078) 9.279 1.362 ( 1.077 2.345 3.548) 4.388 1.437 ( 1.870 -2.419 0.075) 3.058 1.527 ( 1.887 -2.498 0.279) 3.143 1.656 ( 0.040 1.731 0.324) 1.762 1.705 ( -5.500 -5.021 3.777) 8.350 1.867 ( -7.437 0.088 0.959) 7.499 1.975 ( -12.592 -0.323 -2.504) 12.843 2.065 ( -2.439 0.419 -2.389) 3.440 2.154 ( -2.026 -0.459 4.349) 4.820 2.399 ( -9.483 1.609 3.165) 10.126 2.470 ( -3.650 -0.433 -2.663) 4.539 2.523 ( 0.334 -0.630 7.588) 7.621 2.692 ( -1.580 4.342 -2.964) 5.490 2.739 ( -0.465 -2.829 -0.607) 2.931 2.909 ( -1.334 -3.661 -1.392) 4.138 3.400 ( -4.222 -0.342 1.392) 4.459 3.520 ( -6.101 -0.780 -2.190) 6.528 3.778 ( 0.070 0.397 -2.492) 2.524 3.907 ( -7.131 0.317 0.341) 7.146 3.986 ( -13.956 -0.850 -2.385) 14.184 4.035 ( 0.714 -0.022 -14.009) 14.027 4.278 ( 3.537 1.093 -8.638) 9.398 4.593 ( 2.211 -0.326 7.934) 8.243 4.777 ( 0.096 -0.988 -0.131) 1.001 4.882 ( -1.089 -0.373 1.257) 1.704 5.034 ( -0.214 0.614 2.704) 2.781 5.078 ( 2.087 0.834 10.059) 10.307 5.147 ( 1.230 -1.177 -3.807) 4.171 5.256 ( -2.597 0.293 0.403) 2.644 5.303 ( -3.823 0.472 -0.285) 3.862 5.378 ( 2.482 -0.188 1.591) 2.954 5.461 ( 5.260 -1.591 9.926) 11.346 5.731 ( 5.383 0.928 3.438) 6.455 6.116 ( 8.826 0.018 -5.454) 10.375 ======================= Grid point 221 (85/129) ======================= q-point: (-0.42 0.42 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -0.000 5.041 17.713) 18.416 1.301 ( -0.000 3.330 1.686) 3.733 1.345 ( -0.000 14.465 3.217) 14.819 1.481 ( 0.000 -4.397 -2.525) 5.070 1.482 ( -0.000 2.016 -0.164) 2.023 1.652 ( 0.000 -8.399 0.473) 8.412 1.702 ( -0.000 1.845 0.946) 2.073 1.811 ( -0.000 0.369 -3.175) 3.197 1.811 ( -0.000 4.501 3.330) 5.599 2.039 ( 0.000 -0.599 -0.169) 0.622 2.150 ( 0.000 -0.394 5.661) 5.675 2.289 ( 0.000 -0.752 2.116) 2.245 2.429 ( 0.000 -0.836 -1.486) 1.705 2.532 ( 0.000 -0.940 7.272) 7.332 2.657 ( -0.000 2.812 -4.004) 4.893 2.762 ( 0.000 -2.256 -0.699) 2.362 2.942 ( 0.000 -8.478 -4.356) 9.531 3.358 ( 0.000 -0.847 1.174) 1.448 3.454 ( 0.000 -1.140 -1.247) 1.690 3.758 ( -0.000 0.572 1.203) 1.332 3.825 ( -0.000 0.359 -0.465) 0.587 3.845 ( -0.000 0.437 -5.361) 5.379 4.045 ( 0.000 -0.106 -12.578) 12.579 4.305 ( -0.000 2.277 -8.642) 8.937 4.618 ( 0.000 -0.734 8.608) 8.639 4.786 ( 0.000 -1.846 0.629) 1.950 4.875 ( 0.000 -0.635 1.157) 1.320 5.028 ( -0.000 0.943 3.113) 3.253 5.091 ( -0.000 1.951 7.908) 8.145 5.172 ( 0.000 -2.422 -2.182) 3.260 5.227 ( -0.000 0.219 0.292) 0.365 5.258 ( -0.000 0.190 -0.447) 0.485 5.403 ( -0.000 0.288 2.443) 2.460 5.526 ( 0.000 -2.411 9.287) 9.595 5.778 ( -0.000 2.013 4.201) 4.658 6.209 ( -0.000 0.112 -6.125) 6.126 ======================= Grid point 233 (86/129) ======================= q-point: ( 0.50 -0.50 0.20) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -0.000 0.000 17.716) 17.716 1.330 ( 0.000 -0.000 8.168) 8.168 1.443 ( -0.000 0.000 -6.662) 6.662 1.451 ( -0.000 0.000 2.069) 2.069 1.531 ( -0.000 0.000 2.784) 2.784 1.545 ( 0.000 -0.000 -0.880) 0.880 1.713 ( -0.000 0.000 -0.637) 0.637 1.813 ( -0.000 0.000 -3.627) 3.627 1.832 ( -0.000 0.000 1.298) 1.298 2.043 ( -0.000 0.000 0.019) 0.019 2.154 ( -0.000 0.000 6.285) 6.285 2.284 ( -0.000 0.000 2.104) 2.104 2.424 ( -0.000 0.000 -1.485) 1.485 2.525 ( -0.000 0.000 7.234) 7.234 2.697 ( -0.000 0.000 -1.462) 1.462 2.722 ( 0.000 -0.000 -6.130) 6.130 2.889 ( 0.000 -0.000 -0.046) 0.046 3.352 ( -0.000 0.000 1.165) 1.165 3.447 ( 0.000 -0.000 -1.204) 1.204 3.762 ( -0.000 0.000 1.194) 1.194 3.827 ( -0.000 0.000 -0.437) 0.437 3.848 ( -0.000 0.000 -4.719) 4.719 4.044 ( -0.000 0.000 -13.046) 13.046 4.319 ( -0.000 0.000 -9.025) 9.025 4.615 ( -0.000 0.000 8.025) 8.025 4.774 ( -0.000 0.000 0.637) 0.637 4.872 ( -0.000 0.000 1.056) 1.056 5.034 ( 0.000 -0.000 2.463) 2.463 5.106 ( -0.000 0.000 11.212) 11.212 5.154 ( -0.000 0.000 -4.386) 4.386 5.229 ( -0.000 0.000 0.290) 0.290 5.259 ( -0.000 0.000 -0.444) 0.444 5.405 ( 0.000 -0.000 1.754) 1.754 5.511 ( -0.000 0.000 10.060) 10.060 5.791 ( -0.000 0.000 4.099) 4.099 6.210 ( -0.000 0.000 -6.025) 6.025 ======================= Grid point 302 (87/129) ======================= q-point: ( 0.00 0.00 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 129 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 0.000 16.554) 16.554 0.763 ( 0.000 0.000 18.680) 18.680 0.903 ( 0.000 0.000 -15.117) 15.117 1.089 ( 0.000 0.000 -15.493) 15.493 1.331 ( 0.000 0.000 24.808) 24.808 1.725 ( 0.000 0.000 -16.841) 16.841 1.812 ( 0.000 0.000 1.057) 1.057 1.825 ( 0.000 0.000 -0.454) 0.454 1.960 ( 0.000 0.000 7.334) 7.334 2.057 ( 0.000 0.000 -3.432) 3.432 2.399 ( 0.000 0.000 3.335) 3.335 2.463 ( 0.000 0.000 -3.175) 3.175 2.638 ( 0.000 0.000 4.170) 4.170 2.676 ( 0.000 0.000 3.225) 3.225 2.823 ( 0.000 0.000 15.415) 15.415 2.871 ( 0.000 0.000 4.476) 4.476 2.932 ( 0.000 0.000 -3.642) 3.642 3.302 ( 0.000 0.000 -28.043) 28.043 3.464 ( 0.000 0.000 1.769) 1.769 3.502 ( 0.000 0.000 -2.178) 2.178 3.737 ( 0.000 0.000 1.861) 1.861 3.770 ( 0.000 0.000 -1.521) 1.521 4.044 ( 0.000 0.000 3.618) 3.618 4.132 ( 0.000 0.000 -5.275) 5.275 4.879 ( 0.000 0.000 1.137) 1.137 4.897 ( 0.000 0.000 -0.674) 0.674 4.958 ( 0.000 0.000 4.060) 4.060 5.002 ( 0.000 0.000 -0.397) 0.397 5.218 ( 0.000 0.000 0.545) 0.545 5.229 ( 0.000 0.000 -0.653) 0.653 5.272 ( 0.000 0.000 -0.845) 0.845 5.281 ( 0.000 0.000 -1.777) 1.777 5.460 ( 0.000 0.000 1.682) 1.682 5.481 ( 0.000 0.000 -0.586) 0.586 5.957 ( 0.000 0.000 6.135) 6.135 6.070 ( 0.000 0.000 -5.447) 5.447 ======================= Grid point 303 (88/129) ======================= q-point: ( 0.08 0.00 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 13.767 0.324 12.237) 18.422 0.856 ( 8.849 -4.452 11.134) 14.903 1.044 ( 11.111 -1.195 -9.785) 14.853 1.165 ( 6.143 -2.309 -13.455) 14.970 1.479 ( 13.026 -2.458 19.267) 23.386 1.725 ( 2.405 0.284 -5.764) 6.252 1.880 ( 3.663 0.530 3.099) 4.827 1.954 ( 8.767 0.054 -5.921) 10.580 1.995 ( 5.589 0.086 4.513) 7.184 2.074 ( 4.346 0.291 -3.734) 5.737 2.391 ( -1.272 0.901 3.646) 3.965 2.454 ( -1.787 0.580 -2.529) 3.150 2.619 ( 0.519 1.834 2.414) 3.076 2.641 ( -0.334 1.362 0.715) 1.574 2.822 ( 0.075 -0.255 15.828) 15.831 2.839 ( -1.623 2.103 6.818) 7.317 2.922 ( -1.761 -2.198 -2.356) 3.672 3.308 ( 0.436 -1.378 -26.424) 26.463 3.491 ( 2.741 0.275 1.841) 3.313 3.534 ( 2.970 0.223 -2.903) 4.160 3.850 ( 9.132 -0.368 2.624) 9.508 3.927 ( 10.807 -0.069 -5.821) 12.275 4.030 ( -0.724 0.079 3.658) 3.730 4.119 ( -0.389 0.345 -5.304) 5.329 4.873 ( -2.924 1.369 2.888) 4.331 4.909 ( -0.000 1.211 -0.964) 1.548 4.953 ( 1.549 -0.891 2.265) 2.885 4.987 ( -0.877 -0.906 -0.789) 1.487 5.178 ( -2.514 2.049 0.472) 3.277 5.194 ( -1.999 0.018 -1.057) 2.262 5.297 ( 1.969 1.741 0.137) 2.632 5.305 ( 1.972 1.235 -0.785) 2.455 5.433 ( -2.899 -1.762 2.260) 4.077 5.463 ( -2.665 -2.813 -0.865) 3.970 5.915 ( -3.413 1.397 5.760) 6.840 6.010 ( -4.769 0.412 -3.942) 6.201 ======================= Grid point 304 (89/129) ======================= q-point: ( 0.17 0.00 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 15.136 1.519 8.925) 17.637 1.127 ( 14.955 -1.924 5.060) 15.904 1.284 ( 11.670 0.637 -7.266) 13.762 1.325 ( 8.704 -2.641 -8.144) 12.209 1.757 ( 10.070 -1.646 5.408) 11.548 1.804 ( 4.691 0.929 -0.026) 4.782 1.917 ( 1.568 0.636 6.224) 6.450 2.001 ( -0.168 0.507 -2.845) 2.895 2.233 ( 17.458 -1.015 5.182) 18.239 2.334 ( 3.675 1.796 0.906) 4.190 2.346 ( 11.755 -0.614 -3.372) 12.245 2.393 ( -2.287 0.335 -2.885) 3.697 2.667 ( 3.704 2.298 1.661) 4.665 2.682 ( 5.111 1.677 0.193) 5.382 2.787 ( -1.934 -0.317 4.665) 5.060 2.858 ( 3.323 0.696 9.854) 10.423 2.892 ( -2.101 -2.915 6.877) 7.759 3.341 ( 1.992 -1.512 -24.771) 24.897 3.556 ( 3.521 -0.006 2.088) 4.093 3.602 ( 3.587 -0.182 -3.040) 4.705 3.931 ( -2.093 -0.322 2.039) 2.940 4.005 ( -2.248 -0.520 -5.094) 5.592 4.115 ( 9.162 -0.313 3.717) 9.892 4.197 ( 6.507 -0.045 -4.775) 8.072 4.742 ( -7.948 1.578 2.374) 8.444 4.794 ( -10.044 0.910 -2.849) 10.479 5.026 ( 4.058 -0.368 1.375) 4.300 5.028 ( 3.248 -0.663 1.048) 3.477 5.133 ( -0.472 2.147 1.817) 2.852 5.162 ( -0.941 0.878 -1.557) 2.020 5.313 ( 0.506 0.288 1.856) 1.945 5.336 ( 1.588 0.784 -0.715) 1.910 5.380 ( -3.066 -0.903 2.186) 3.872 5.416 ( -3.542 -2.775 -1.246) 4.669 5.832 ( -3.137 2.901 5.436) 6.914 5.916 ( -3.709 1.767 -3.544) 5.426 ======================= Grid point 305 (90/129) ======================= q-point: ( 0.25 0.00 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( 10.036 -1.774 5.597) 11.628 1.416 ( 10.601 0.440 -3.997) 11.338 1.467 ( 11.704 2.657 2.547) 12.269 1.559 ( 13.687 4.159 -5.019) 15.160 1.846 ( 1.315 3.339 1.402) 3.853 1.861 ( 1.596 2.762 -0.193) 3.195 1.945 ( 0.814 0.933 4.075) 4.259 1.996 ( -0.439 0.193 -1.568) 1.639 2.297 ( -0.041 0.356 2.847) 2.870 2.351 ( -0.957 -0.626 -2.809) 3.033 2.592 ( 10.161 -2.325 3.518) 11.001 2.628 ( 3.664 0.648 0.598) 3.768 2.743 ( 5.167 -2.439 3.301) 6.599 2.782 ( 7.169 2.316 -0.908) 7.588 2.857 ( 11.607 -0.607 1.529) 11.723 2.894 ( 5.300 -4.493 1.028) 7.023 2.976 ( 7.505 0.055 15.258) 17.004 3.404 ( 3.814 -0.288 -22.806) 23.124 3.612 ( 1.526 -0.315 2.298) 2.777 3.658 ( 1.378 -0.423 -2.649) 3.016 3.885 ( -1.621 -0.628 1.544) 2.325 3.956 ( -1.966 -0.776 -4.808) 5.252 4.235 ( -4.129 -0.783 1.644) 4.513 4.256 ( 1.758 -0.835 -0.406) 1.988 4.562 ( -9.064 0.323 2.186) 9.329 4.625 ( -2.388 0.361 -4.211) 4.854 5.072 ( 0.920 0.212 2.373) 2.554 5.097 ( 2.394 -0.228 1.565) 2.869 5.131 ( 0.890 1.107 2.233) 2.647 5.142 ( -0.626 0.815 -0.590) 1.185 5.313 ( -3.128 0.517 2.185) 3.850 5.325 ( 0.207 0.562 1.459) 1.577 5.361 ( -0.446 -0.846 -1.570) 1.838 5.377 ( 0.336 -0.660 -1.476) 1.651 5.767 ( -1.457 3.841 4.569) 6.144 5.841 ( -2.433 3.800 -3.296) 5.588 ======================= Grid point 306 (91/129) ======================= q-point: ( 0.33 0.00 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( 4.605 -0.840 2.919) 5.517 1.524 ( 2.652 -0.891 -3.909) 4.807 1.715 ( 12.925 6.962 3.027) 14.990 1.766 ( 7.357 7.237 -1.660) 10.452 1.818 ( -0.504 5.144 1.290) 5.327 1.842 ( 1.151 4.990 -1.419) 5.314 1.946 ( 0.662 0.509 2.382) 2.524 1.979 ( -0.546 -0.085 -1.208) 1.328 2.329 ( 2.419 -2.046 1.453) 3.485 2.360 ( 0.764 -2.479 -1.897) 3.214 2.613 ( -2.304 -0.309 4.743) 5.283 2.656 ( -0.960 -1.817 -0.306) 2.078 2.779 ( -0.647 -4.336 10.155) 11.060 2.880 ( 3.207 -0.179 -0.645) 3.276 3.056 ( 4.696 -0.862 2.814) 5.542 3.145 ( 11.089 -1.782 -3.158) 11.667 3.248 ( 17.173 -0.965 6.836) 18.509 3.497 ( 6.061 1.427 -16.718) 17.840 3.603 ( -2.928 -0.469 2.096) 3.632 3.648 ( -2.604 -0.182 -2.852) 3.866 3.907 ( 3.793 -0.932 0.434) 3.930 3.966 ( 2.889 -0.935 -4.412) 5.356 4.088 ( -8.153 -0.498 2.481) 8.537 4.141 ( -9.843 -0.408 -3.239) 10.370 4.517 ( 1.905 -0.758 7.202) 7.488 4.645 ( 2.630 -0.376 -6.037) 6.596 5.075 ( -0.189 0.170 1.793) 1.811 5.106 ( -1.384 0.393 -0.634) 1.573 5.128 ( -0.474 0.341 3.146) 3.200 5.146 ( 0.905 -0.076 3.772) 3.880 5.233 ( -4.147 0.304 2.328) 4.765 5.317 ( -0.212 0.506 -3.173) 3.220 5.369 ( 0.744 0.273 1.237) 1.469 5.409 ( 1.695 0.599 -1.938) 2.644 5.723 ( -0.830 3.621 3.026) 4.791 5.774 ( -1.754 4.446 -2.372) 5.336 ======================= Grid point 307 (92/129) ======================= q-point: ( 0.42 0.00 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 1.590 -0.060 1.533) 2.209 1.552 ( 0.250 -0.165 -2.177) 2.197 1.706 ( -2.813 5.926 2.242) 6.932 1.734 ( -2.336 5.394 -0.861) 5.941 1.894 ( 6.289 3.427 1.646) 7.349 1.923 ( 3.323 2.492 -1.649) 4.469 1.971 ( 1.698 0.255 1.191) 2.090 2.002 ( 3.278 1.150 -1.480) 3.776 2.398 ( 2.399 -1.609 0.313) 2.905 2.400 ( 2.014 -2.608 0.084) 3.296 2.565 ( -2.544 -0.867 4.996) 5.673 2.620 ( -3.281 -2.100 -1.656) 4.232 2.815 ( 1.944 -2.518 12.032) 12.445 2.918 ( 0.719 -0.009 0.321) 0.787 3.112 ( 0.841 -1.248 3.079) 3.427 3.290 ( 3.414 -2.906 -8.030) 9.197 3.451 ( 0.111 1.379 1.719) 2.207 3.514 ( -4.318 1.390 -2.685) 5.271 3.596 ( 0.846 -0.434 -1.161) 1.501 3.621 ( 5.504 0.815 -7.325) 9.199 3.974 ( -2.950 0.062 1.321) 3.233 3.995 ( -3.274 0.211 -0.845) 3.388 4.041 ( 6.124 -0.789 -0.792) 6.225 4.074 ( 6.198 -0.818 -3.261) 7.051 4.558 ( 1.154 -0.983 7.956) 8.099 4.701 ( 2.416 -0.866 -6.680) 7.156 5.062 ( -1.388 0.367 1.811) 2.311 5.068 ( -1.696 0.348 1.519) 2.303 5.112 ( -0.725 -0.363 1.295) 1.527 5.149 ( -1.967 0.218 -2.191) 2.953 5.172 ( -0.330 -0.095 9.362) 9.368 5.319 ( 0.302 -0.214 -5.042) 5.056 5.368 ( -0.398 1.015 2.661) 2.876 5.423 ( 0.290 1.180 -2.759) 3.014 5.692 ( -0.513 2.125 2.039) 2.989 5.727 ( -0.656 2.740 -1.700) 3.291 ======================= Grid point 308 (93/129) ======================= q-point: (-0.50 0.00 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -0.000 0.000 0.567) 0.567 1.546 ( 0.000 -0.000 -0.045) 0.045 1.658 ( 0.000 -0.000 1.655) 1.655 1.684 ( 0.000 -0.000 -1.187) 1.187 1.940 ( 0.000 0.000 -0.734) 0.734 1.944 ( 0.000 -0.000 -0.411) 0.411 1.992 ( 0.000 0.000 2.262) 2.262 2.041 ( 0.000 -0.000 -2.098) 2.098 2.428 ( 0.000 -0.000 1.717) 1.717 2.439 ( 0.000 -0.000 -0.238) 0.238 2.539 ( 0.000 -0.000 4.195) 4.195 2.584 ( 0.000 -0.000 -1.240) 1.240 2.853 ( 0.000 0.000 11.432) 11.432 2.920 ( 0.000 -0.000 1.412) 1.412 3.121 ( 0.000 -0.000 3.354) 3.354 3.350 ( -0.000 0.000 -11.613) 11.613 3.395 ( 0.000 -0.000 2.211) 2.211 3.447 ( 0.000 -0.000 -5.237) 5.237 3.626 ( 0.000 0.000 1.065) 1.065 3.680 ( 0.000 -0.000 -6.023) 6.023 3.946 ( 0.000 -0.000 0.933) 0.933 3.960 ( 0.000 -0.000 -0.520) 0.520 4.124 ( 0.000 -0.000 -0.595) 0.595 4.152 ( 0.000 -0.000 -2.844) 2.844 4.572 ( 0.000 -0.000 8.779) 8.779 4.734 ( 0.000 -0.000 -7.818) 7.818 5.039 ( 0.000 -0.000 2.360) 2.360 5.043 ( 0.000 -0.000 2.049) 2.049 5.112 ( 0.000 -0.000 0.847) 0.847 5.118 ( -0.000 0.000 -0.837) 0.837 5.175 ( 0.000 -0.000 8.141) 8.141 5.323 ( 0.000 -0.000 -5.555) 5.555 5.357 ( 0.000 -0.000 3.282) 3.282 5.418 ( 0.000 -0.000 -3.139) 3.139 5.680 ( 0.000 -0.000 1.860) 1.860 5.713 ( 0.000 -0.000 -1.593) 1.593 ======================= Grid point 316 (94/129) ======================= q-point: ( 0.08 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 12.319 -0.000 8.894) 15.194 1.114 ( 19.059 -0.000 5.546) 19.849 1.296 ( 7.432 -0.000 -9.142) 11.782 1.302 ( 14.632 -0.000 -7.447) 16.418 1.744 ( 11.571 -0.000 7.188) 13.622 1.809 ( 4.798 -0.000 -0.375) 4.813 1.922 ( 1.255 -0.000 5.868) 6.000 2.005 ( -0.344 0.000 -2.938) 2.958 2.226 ( 17.267 -0.000 4.857) 17.937 2.339 ( 18.046 -0.000 -6.622) 19.223 2.350 ( -2.708 0.000 2.980) 4.027 2.396 ( -3.166 0.000 -1.695) 3.591 2.685 ( 5.528 -0.000 1.105) 5.638 2.689 ( 3.545 -0.000 1.427) 3.822 2.785 ( -2.819 0.000 4.754) 5.527 2.868 ( -2.813 0.000 -3.940) 4.842 2.868 ( 3.641 -0.000 20.248) 20.573 3.332 ( 2.402 -0.000 -24.543) 24.660 3.556 ( 3.397 -0.000 1.967) 3.926 3.601 ( 3.452 -0.000 -3.175) 4.690 3.929 ( -2.014 0.000 1.962) 2.812 4.002 ( -2.237 0.000 -5.067) 5.539 4.113 ( 8.996 -0.000 3.823) 9.775 4.196 ( 6.120 -0.000 -4.815) 7.787 4.752 ( -8.167 0.000 2.016) 8.413 4.799 ( -10.700 0.000 -2.668) 11.027 5.023 ( 4.356 -0.000 1.249) 4.532 5.024 ( 3.489 -0.000 1.089) 3.655 5.147 ( -0.967 0.000 1.356) 1.666 5.166 ( -0.815 0.000 -0.975) 1.271 5.316 ( 0.125 -0.000 1.973) 1.977 5.341 ( 0.989 -0.000 -0.696) 1.210 5.379 ( -1.651 0.000 0.867) 1.865 5.394 ( -3.366 0.000 -0.376) 3.387 5.850 ( -3.159 0.000 4.956) 5.877 5.927 ( -3.292 0.000 -3.225) 4.608 ======================= Grid point 317 (95/129) ======================= q-point: ( 0.17 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 10.034 -0.683 5.649) 11.535 1.411 ( 7.468 -0.438 -6.781) 10.096 1.503 ( 16.580 2.074 4.547) 17.317 1.596 ( 14.953 1.756 -4.650) 15.758 1.871 ( 1.861 1.154 1.008) 2.411 1.877 ( 2.119 0.273 0.385) 2.171 1.952 ( 1.439 0.260 3.898) 4.164 1.997 ( -0.230 0.053 -1.250) 1.273 2.304 ( -1.394 0.449 2.393) 2.806 2.348 ( -1.656 -0.014 -2.295) 2.830 2.571 ( 11.060 -1.000 4.060) 11.824 2.635 ( 6.013 0.393 -2.286) 6.445 2.719 ( -0.929 -1.270 7.537) 7.699 2.810 ( 8.101 2.406 -0.042) 8.451 2.846 ( 6.526 -3.353 -0.539) 7.357 2.855 ( 11.317 0.048 -1.188) 11.379 2.976 ( 6.905 -0.030 17.178) 18.514 3.402 ( 4.562 -0.089 -22.251) 22.714 3.609 ( 1.436 -0.144 2.173) 2.608 3.654 ( 1.441 -0.174 -2.876) 3.222 3.879 ( -1.763 -0.240 1.429) 2.282 3.949 ( -2.014 -0.298 -4.728) 5.148 4.229 ( -4.264 -0.279 1.675) 4.590 4.249 ( 2.041 -0.310 -0.309) 2.087 4.565 ( -9.886 0.122 2.105) 10.109 4.628 ( -2.482 0.103 -4.273) 4.943 5.074 ( 1.137 0.085 2.242) 2.515 5.095 ( 2.600 -0.081 1.770) 3.146 5.140 ( 0.137 0.428 2.260) 2.305 5.149 ( -0.997 0.316 -0.500) 1.159 5.317 ( -3.007 0.200 2.054) 3.647 5.333 ( 0.538 0.666 1.211) 1.483 5.351 ( -0.794 -0.779 -1.821) 2.134 5.372 ( 1.495 -0.233 -1.395) 2.058 5.798 ( -1.701 1.374 4.697) 5.181 5.873 ( -2.188 1.423 -3.284) 4.195 ======================= Grid point 318 (96/129) ======================= q-point: ( 0.25 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 5.418 -0.491 2.838) 6.136 1.515 ( 3.240 -0.593 -3.923) 5.123 1.787 ( 12.588 4.780 2.957) 13.785 1.833 ( 7.482 3.708 -1.010) 8.411 1.865 ( -0.818 2.373 1.254) 2.806 1.892 ( 2.390 3.245 -2.216) 4.599 1.954 ( -0.044 0.787 2.491) 2.613 1.984 ( -0.706 0.780 -0.822) 1.335 2.303 ( 1.080 -2.075 1.433) 2.743 2.335 ( 0.150 -1.539 -1.960) 2.497 2.612 ( -2.775 0.142 3.167) 4.213 2.637 ( -1.834 -1.303 -0.044) 2.250 2.732 ( 0.769 -3.175 11.586) 12.038 2.886 ( 3.169 0.800 -4.132) 5.268 3.039 ( 3.926 -1.696 5.427) 6.910 3.133 ( 11.173 -0.294 -2.933) 11.556 3.237 ( 18.056 -0.765 8.409) 19.933 3.510 ( 6.518 0.709 -16.239) 17.513 3.598 ( -2.870 -0.305 2.211) 3.636 3.647 ( -2.311 -0.031 -3.547) 4.234 3.898 ( 3.875 -0.558 0.314) 3.928 3.957 ( 2.938 -0.590 -4.283) 5.228 4.084 ( -7.876 -0.246 2.562) 8.286 4.138 ( -9.623 -0.220 -3.197) 10.142 4.510 ( 1.707 -0.433 7.307) 7.516 4.642 ( 2.320 -0.204 -6.296) 6.713 5.077 ( -0.328 0.146 1.816) 1.851 5.111 ( -1.174 0.369 -1.386) 1.853 5.131 ( -0.927 0.172 3.534) 3.658 5.145 ( 0.954 -0.093 4.283) 4.389 5.236 ( -4.304 0.171 2.117) 4.799 5.322 ( -0.737 0.318 -4.152) 4.229 5.371 ( 1.341 0.032 2.165) 2.548 5.414 ( 2.082 0.323 -2.036) 2.930 5.758 ( -1.506 2.102 3.622) 4.450 5.816 ( -2.336 2.548 -2.634) 4.346 ======================= Grid point 319 (97/129) ======================= q-point: ( 0.33 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 1.620 0.092 1.296) 2.077 1.550 ( 0.331 -0.211 -2.112) 2.148 1.778 ( -4.195 5.568 1.840) 7.211 1.792 ( -3.720 4.189 0.028) 5.602 1.921 ( 2.536 1.312 0.890) 2.991 1.943 ( 0.896 0.753 -1.852) 2.191 1.982 ( 2.191 1.679 1.921) 3.363 2.016 ( 3.354 1.154 -1.344) 3.793 2.368 ( 3.550 -2.657 0.660) 4.483 2.382 ( 3.568 -1.183 -0.617) 3.809 2.557 ( -2.551 -0.470 4.430) 5.133 2.595 ( -2.623 -1.910 -0.648) 3.309 2.788 ( 2.944 -1.935 11.314) 11.850 2.925 ( 1.463 1.077 -2.113) 2.786 3.087 ( 0.439 -2.683 5.670) 6.287 3.265 ( 3.124 -1.291 -6.416) 7.252 3.462 ( -0.280 0.580 1.853) 1.962 3.534 ( -2.101 1.894 -1.774) 3.339 3.589 ( 0.770 -0.850 -1.382) 1.796 3.630 ( 4.787 0.598 -8.633) 9.890 3.974 ( -2.999 -0.037 1.372) 3.298 3.996 ( -3.749 0.050 -0.885) 3.852 4.032 ( 7.166 -0.602 -0.853) 7.241 4.066 ( 6.632 -0.490 -3.204) 7.381 4.548 ( 1.323 -0.690 7.972) 8.110 4.692 ( 2.439 -0.584 -6.805) 7.252 5.065 ( -1.017 0.255 1.446) 1.787 5.075 ( -1.784 0.781 1.562) 2.496 5.106 ( -1.181 -0.632 1.837) 2.274 5.150 ( -2.317 0.015 -2.296) 3.262 5.171 ( -0.200 -0.107 9.178) 9.181 5.316 ( 0.117 -0.153 -5.264) 5.267 5.378 ( -0.435 0.633 3.023) 3.119 5.434 ( 0.172 0.742 -2.765) 2.869 5.715 ( -1.598 1.641 2.478) 3.374 5.757 ( -2.075 2.090 -1.958) 3.537 ======================= Grid point 320 (98/129) ======================= q-point: ( 0.42 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 0.373 -0.505 0.585) 0.859 1.546 ( -0.679 -0.258 -0.584) 0.932 1.674 ( -2.714 2.573 1.860) 4.177 1.697 ( -3.261 2.040 -0.801) 3.929 1.928 ( -1.935 -1.908 0.771) 2.825 1.943 ( -1.454 -0.315 -1.265) 1.953 1.987 ( -0.724 -0.638 1.376) 1.681 2.028 ( -2.130 -1.968 -2.081) 3.569 2.432 ( 1.283 0.859 1.987) 2.517 2.451 ( 2.120 1.490 0.055) 2.591 2.537 ( 0.763 -0.231 3.808) 3.890 2.581 ( 1.326 -0.550 -1.309) 1.943 2.847 ( 1.532 -0.713 11.091) 11.219 2.933 ( 0.403 2.023 1.219) 2.397 3.107 ( 0.271 -2.268 3.979) 4.588 3.330 ( 2.919 -2.267 -8.226) 9.018 3.411 ( -1.003 1.548 -0.014) 1.844 3.457 ( -1.579 1.724 -6.652) 7.051 3.628 ( -0.023 0.310 0.928) 0.979 3.677 ( -0.528 -0.454 -5.743) 5.785 3.946 ( -0.046 -0.014 0.912) 0.914 3.959 ( -0.111 -0.089 -0.493) 0.513 4.123 ( 0.159 -0.075 -0.565) 0.591 4.152 ( 0.419 -0.016 -2.855) 2.885 4.572 ( 0.906 0.054 8.778) 8.825 4.734 ( 0.914 0.026 -7.803) 7.857 5.039 ( -0.428 0.116 2.452) 2.492 5.046 ( -0.253 0.406 2.062) 2.117 5.106 ( 0.634 -0.842 0.936) 1.410 5.119 ( -0.483 -0.059 -0.927) 1.047 5.175 ( -0.008 -0.050 8.003) 8.003 5.322 ( 0.213 -0.199 -5.574) 5.581 5.359 ( -0.822 0.159 3.305) 3.409 5.420 ( -0.980 0.174 -3.118) 3.273 5.681 ( -1.247 0.079 1.877) 2.255 5.714 ( -1.549 0.120 -1.604) 2.233 ======================= Grid point 321 (99/129) ======================= q-point: (-0.50 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( -1.697 0.131 1.636) 2.360 1.549 ( 0.044 -0.927 -1.405) 1.684 1.650 ( 0.021 -2.889 1.404) 3.212 1.671 ( -0.208 -4.713 -0.936) 4.810 1.842 ( -8.274 -4.915 2.322) 9.899 1.886 ( -6.188 -3.739 -2.321) 7.593 1.970 ( -1.442 -0.069 0.707) 1.607 1.992 ( -1.268 -0.460 -1.258) 1.845 2.418 ( -1.684 1.646 1.150) 2.621 2.429 ( -1.947 2.119 -0.032) 2.878 2.579 ( 3.048 1.403 4.911) 5.948 2.641 ( 3.649 1.389 -2.230) 4.497 2.842 ( -0.947 1.791 12.953) 13.110 2.929 ( 0.245 2.063 0.977) 2.296 3.114 ( -0.935 -0.746 2.574) 2.839 3.330 ( -3.042 3.456 -11.562) 12.445 3.431 ( -0.167 -1.681 2.702) 3.187 3.502 ( 4.489 -0.774 -4.032) 6.083 3.598 ( -2.037 -0.341 -1.400) 2.495 3.613 ( -4.314 -0.357 -5.140) 6.720 3.973 ( 2.865 -0.131 1.183) 3.103 3.991 ( 2.871 -0.307 -0.824) 3.003 4.050 ( -5.124 0.720 -0.540) 5.202 4.084 ( -5.505 0.916 -3.318) 6.492 4.570 ( -0.969 1.043 7.960) 8.086 4.712 ( -2.374 0.957 -6.551) 7.034 5.057 ( 1.625 -0.335 2.402) 2.919 5.068 ( 1.773 0.288 1.157) 2.136 5.115 ( 0.341 0.066 0.832) 0.902 5.144 ( 2.029 -0.575 -1.998) 2.905 5.173 ( 0.245 -0.029 9.570) 9.573 5.321 ( -0.442 0.214 -4.775) 4.801 5.354 ( 0.121 -1.180 2.122) 2.431 5.407 ( -0.638 -1.416 -2.759) 3.166 5.667 ( -0.699 -1.984 1.560) 2.619 5.695 ( -1.021 -2.540 -1.403) 3.076 ======================= Grid point 322 (100/129) ======================= q-point: (-0.42 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -3.549 0.840 2.938) 4.683 1.534 ( -1.962 0.464 -3.603) 4.128 1.629 ( -12.087 -7.225 2.788) 14.355 1.674 ( -5.596 -7.622 -1.190) 9.531 1.748 ( -0.487 -6.274 1.128) 6.393 1.781 ( -3.111 -4.987 -1.958) 6.195 1.941 ( -1.198 -0.291 2.847) 3.102 1.983 ( 0.233 0.466 -1.642) 1.723 2.350 ( -3.136 1.561 1.759) 3.920 2.387 ( -1.307 1.877 -2.105) 3.109 2.620 ( 1.630 1.053 5.507) 5.839 2.677 ( 0.706 1.658 -0.863) 1.999 2.822 ( 0.125 2.504 10.662) 10.953 2.899 ( -2.041 3.217 0.346) 3.825 3.058 ( -5.651 -0.389 2.676) 6.264 3.174 ( -11.245 2.988 -4.070) 12.326 3.258 ( -15.813 0.521 4.970) 16.584 3.476 ( -4.964 -2.144 -17.339) 18.163 3.609 ( 2.827 0.493 2.020) 3.509 3.651 ( 2.774 0.380 -2.412) 3.695 3.919 ( -3.683 1.024 0.606) 3.870 3.978 ( -2.692 0.962 -4.411) 5.256 4.095 ( 8.398 0.692 2.297) 8.734 4.147 ( 10.141 0.522 -3.281) 10.671 4.527 ( -2.206 0.882 7.068) 7.457 4.650 ( -3.116 0.468 -5.698) 6.511 5.074 ( 0.041 -0.028 1.812) 1.813 5.103 ( 1.443 -0.032 -0.325) 1.479 5.123 ( 0.252 -0.464 3.013) 3.059 5.147 ( -1.036 0.050 3.359) 3.516 5.229 ( 4.012 -0.425 2.767) 4.892 5.310 ( -0.350 -0.575 -2.139) 2.242 5.363 ( -0.072 -0.749 0.354) 0.831 5.400 ( -0.954 -0.763 -1.973) 2.320 5.676 ( -0.233 -4.082 2.114) 4.603 5.715 ( 0.914 -5.191 -1.999) 5.637 ======================= Grid point 323 (101/129) ======================= q-point: (-0.33 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -11.529 1.259 5.649) 12.901 1.388 ( -12.589 -2.641 2.840) 13.172 1.465 ( -5.035 1.422 -3.906) 6.529 1.506 ( -11.180 -4.274 -4.891) 12.930 1.791 ( -0.430 -5.775 1.466) 5.974 1.809 ( -0.732 -5.812 -0.610) 5.890 1.931 ( -0.553 -1.214 4.513) 4.706 1.993 ( 0.539 -0.253 -2.114) 2.196 2.298 ( -1.340 0.328 3.390) 3.660 2.363 ( 0.010 1.252 -3.480) 3.699 2.616 ( -4.095 0.300 3.152) 5.177 2.624 ( -7.693 1.226 1.330) 7.903 2.752 ( -8.291 -1.789 1.982) 8.710 2.777 ( -11.291 2.537 -0.973) 11.614 2.869 ( -9.233 1.222 3.680) 10.015 2.949 ( -4.615 4.122 -2.453) 6.656 2.977 ( -8.143 0.742 16.689) 18.584 3.408 ( -2.610 0.471 -23.295) 23.445 3.616 ( -1.674 0.244 2.450) 2.977 3.663 ( -1.329 0.427 -2.477) 2.843 3.893 ( 1.354 0.774 1.741) 2.338 3.966 ( 1.888 0.984 -4.929) 5.369 4.247 ( 3.982 1.130 1.556) 4.423 4.268 ( -1.414 1.114 -0.538) 1.879 4.558 ( 7.766 -0.408 2.217) 8.087 4.619 ( 2.015 -0.719 -4.012) 4.546 5.069 ( -0.656 -0.280 2.558) 2.656 5.100 ( -2.241 0.245 1.290) 2.598 5.116 ( -1.640 -1.232 2.192) 3.002 5.131 ( -0.096 -0.995 -0.807) 1.285 5.306 ( 3.165 -0.547 2.835) 4.284 5.320 ( 0.519 -0.191 2.002) 2.077 5.370 ( 0.250 0.620 -1.310) 1.470 5.386 ( 1.256 0.830 -1.833) 2.372 5.710 ( 1.026 -5.427 4.388) 7.054 5.787 ( 3.010 -5.082 -3.520) 6.876 ======================= Grid point 324 (102/129) ======================= q-point: (-0.25 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.039 ( -15.011 0.248 9.032) 17.520 1.154 ( -11.567 2.532 2.059) 12.019 1.287 ( -10.056 1.393 -3.742) 10.820 1.362 ( -5.720 3.442 -7.365) 9.941 1.765 ( -6.022 -0.886 2.294) 6.505 1.784 ( -4.018 -2.610 0.431) 4.811 1.911 ( -2.039 -0.332 6.477) 6.798 1.995 ( -0.360 -0.460 -2.705) 2.767 2.246 ( -16.291 0.812 6.032) 17.390 2.311 ( -4.496 -1.552 1.922) 5.130 2.355 ( -11.260 0.555 -1.892) 11.431 2.394 ( -2.028 0.700 -5.329) 5.745 2.635 ( -3.560 -2.902 1.256) 4.761 2.652 ( -5.170 -2.907 -0.502) 5.952 2.788 ( -0.710 -0.358 5.572) 5.628 2.852 ( -3.555 -0.273 8.164) 8.909 2.934 ( 2.038 3.832 7.755) 8.887 3.364 ( -1.070 2.245 -25.076) 25.199 3.556 ( -3.831 -0.077 2.355) 4.498 3.605 ( -3.901 0.263 -2.803) 4.810 3.936 ( 2.212 0.408 2.276) 3.200 4.014 ( 2.301 0.885 -5.237) 5.789 4.120 ( -9.557 0.541 3.432) 10.169 4.197 ( -7.539 0.025 -4.618) 8.841 4.717 ( 7.298 -2.438 3.146) 8.313 4.778 ( 8.631 -1.750 -3.140) 9.350 5.029 ( -3.808 -0.022 1.710) 4.174 5.039 ( -2.408 1.101 0.898) 2.796 5.104 ( -0.123 -2.287 2.361) 3.289 5.147 ( 0.927 -1.516 -2.370) 2.962 5.311 ( -1.049 -0.033 1.714) 2.010 5.328 ( -1.931 -0.477 -0.122) 1.992 5.396 ( 4.136 1.467 3.240) 5.454 5.451 ( 4.720 2.953 -1.928) 5.892 5.785 ( 3.385 -4.726 6.572) 8.774 5.888 ( 4.816 -2.802 -4.454) 7.133 ======================= Grid point 325 (103/129) ======================= q-point: (-0.17 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -8.608 4.616 12.355) 15.750 0.928 ( -7.571 6.672 5.573) 11.529 1.078 ( -9.250 4.716 -5.924) 11.954 1.214 ( -5.934 5.577 -11.547) 14.130 1.533 ( -12.641 6.115 15.368) 20.818 1.718 ( -2.148 -0.982 -3.886) 4.547 1.869 ( -3.467 -1.206 4.209) 5.585 1.951 ( -7.592 -0.594 -3.507) 8.384 1.994 ( -6.996 -0.147 2.422) 7.405 2.067 ( -4.965 -0.916 -3.757) 6.293 2.371 ( 1.986 -2.272 3.849) 4.891 2.440 ( 1.791 -1.631 -3.080) 3.919 2.581 ( -2.469 -4.271 2.611) 5.581 2.611 ( -0.455 -3.378 -0.170) 3.413 2.800 ( 0.038 -3.241 10.103) 10.610 2.832 ( 1.050 0.356 6.868) 6.957 2.956 ( 1.852 3.056 2.013) 4.101 3.338 ( 0.005 3.293 -26.057) 26.264 3.485 ( -3.105 -0.748 1.992) 3.764 3.529 ( -3.370 -0.575 -2.703) 4.358 3.858 ( -9.262 0.889 2.430) 9.617 3.928 ( -10.824 0.124 -5.111) 11.971 4.029 ( 0.462 -0.163 3.141) 3.179 4.112 ( 0.646 -0.697 -5.117) 5.205 4.845 ( 3.034 -3.032 3.263) 5.389 4.887 ( 0.701 -2.472 -1.222) 2.845 4.966 ( -1.492 0.961 2.561) 3.116 5.005 ( 0.466 1.899 -1.005) 2.198 5.140 ( 2.051 -3.724 2.317) 4.842 5.186 ( 2.073 -1.312 -2.276) 3.346 5.276 ( -2.928 -1.401 0.370) 3.267 5.286 ( -2.470 -1.421 -0.796) 2.959 5.463 ( 3.339 2.732 3.705) 5.686 5.512 ( 3.332 4.668 -1.351) 5.892 5.886 ( 3.764 -3.215 7.309) 8.828 6.001 ( 5.059 -0.903 -5.134) 7.264 ======================= Grid point 326 (104/129) ======================= q-point: (-0.08 0.08 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -0.000 8.941 13.963) 16.580 0.811 ( -0.000 7.703 17.119) 18.772 0.925 ( -0.000 3.675 -13.947) 14.423 1.115 ( -0.000 4.219 -14.596) 15.194 1.358 ( -0.000 4.392 23.496) 23.903 1.726 ( -0.000 0.146 -15.370) 15.371 1.810 ( 0.000 -0.422 0.938) 1.028 1.822 ( 0.000 -0.605 -0.421) 0.738 1.953 ( 0.000 -1.006 7.482) 7.549 2.054 ( 0.000 -0.570 -3.575) 3.620 2.395 ( 0.000 -0.659 3.269) 3.335 2.457 ( 0.000 -0.884 -3.097) 3.221 2.602 ( 0.000 -5.763 4.586) 7.365 2.652 ( 0.000 -3.815 1.585) 4.131 2.817 ( 0.000 -1.688 14.023) 14.125 2.853 ( 0.000 -1.193 3.383) 3.588 2.958 ( -0.000 3.160 -1.476) 3.488 3.321 ( -0.000 2.959 -27.520) 27.679 3.458 ( 0.000 -0.924 1.813) 2.035 3.496 ( 0.000 -0.845 -2.187) 2.345 3.741 ( -0.000 0.603 1.826) 1.923 3.773 ( -0.000 0.499 -1.485) 1.567 4.042 ( 0.000 -0.232 3.499) 3.507 4.129 ( 0.000 -0.435 -5.238) 5.256 4.873 ( 0.000 -1.159 1.266) 1.716 4.890 ( 0.000 -1.140 -0.345) 1.191 4.959 ( -0.000 0.267 3.980) 3.989 5.009 ( -0.000 1.060 -0.796) 1.326 5.219 ( -0.000 0.204 0.549) 0.586 5.221 ( 0.000 -6.503 1.171) 6.608 5.231 ( -0.000 0.215 -0.656) 0.690 5.261 ( 0.000 -3.280 -2.844) 4.341 5.481 ( -0.000 2.870 2.878) 4.065 5.517 ( -0.000 4.863 -0.975) 4.960 5.943 ( 0.000 -2.179 7.034) 7.364 6.066 ( 0.000 -0.659 -5.944) 5.981 ======================= Grid point 329 (105/129) ======================= q-point: ( 0.17 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 5.719 -0.000 2.800) 6.368 1.511 ( 3.468 -0.000 -3.907) 5.224 1.818 ( 12.476 -0.000 2.861) 12.799 1.854 ( 6.449 -0.000 0.015) 6.449 1.876 ( -1.030 0.000 1.024) 1.453 1.912 ( 3.831 -0.000 -3.300) 5.056 1.961 ( 0.138 -0.000 2.694) 2.698 1.990 ( -0.492 0.000 -0.601) 0.777 2.289 ( 0.152 -0.000 1.699) 1.706 2.326 ( -0.279 0.000 -2.236) 2.253 2.614 ( -2.421 0.000 2.062) 3.180 2.628 ( -3.171 0.000 -0.050) 3.171 2.712 ( 1.948 -0.000 12.859) 13.006 2.892 ( 3.070 -0.000 -6.639) 7.315 3.027 ( 3.761 -0.000 7.692) 8.562 3.132 ( 11.113 -0.000 -3.104) 11.539 3.233 ( 18.372 -0.000 9.086) 20.496 3.514 ( 6.616 -0.000 -16.055) 17.364 3.596 ( -2.819 0.000 2.283) 3.628 3.647 ( -2.166 0.000 -3.893) 4.455 3.894 ( 3.904 -0.000 0.273) 3.913 3.953 ( 2.938 -0.000 -4.204) 5.129 4.082 ( -7.756 0.000 2.579) 8.173 4.136 ( -9.542 0.000 -3.180) 10.058 4.508 ( 1.638 -0.000 7.347) 7.527 4.640 ( 2.215 -0.000 -6.393) 6.766 5.078 ( -0.380 0.000 1.830) 1.869 5.114 ( -1.022 0.000 -1.871) 2.132 5.132 ( -1.286 0.000 3.779) 3.992 5.144 ( 1.090 -0.000 4.579) 4.707 5.237 ( -4.369 0.000 2.049) 4.826 5.324 ( -0.976 0.000 -4.597) 4.700 5.371 ( 1.602 -0.000 2.601) 3.055 5.416 ( 2.201 -0.000 -2.085) 3.032 5.771 ( -1.735 0.000 3.828) 4.203 5.832 ( -2.548 0.000 -2.730) 3.734 ======================= Grid point 330 (106/129) ======================= q-point: ( 0.25 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.516 ( 1.699 0.063 1.144) 2.049 1.548 ( 0.346 -0.068 -1.957) 1.988 1.825 ( -3.770 2.047 1.203) 4.455 1.828 ( -4.012 1.700 0.966) 4.463 1.931 ( 0.341 0.494 0.430) 0.738 1.946 ( 0.376 -0.010 -1.477) 1.524 2.000 ( 0.402 0.925 1.506) 1.812 2.028 ( 1.381 0.618 -1.142) 1.895 2.342 ( 5.153 -1.310 1.418) 5.502 2.371 ( 5.127 -0.524 -1.396) 5.340 2.554 ( -2.835 -0.076 3.930) 4.847 2.578 ( -1.921 -0.800 0.090) 2.083 2.772 ( 3.507 -0.698 10.963) 11.532 2.938 ( 2.098 0.826 -6.075) 6.480 3.058 ( -0.041 -1.588 9.961) 10.086 3.256 ( 2.785 -0.299 -6.058) 6.674 3.466 ( -0.554 0.151 2.209) 2.283 3.557 ( 0.787 1.735 -0.731) 2.040 3.576 ( -0.383 -1.292 -2.162) 2.548 3.635 ( 4.145 0.212 -9.345) 10.225 3.973 ( -2.982 -0.039 1.354) 3.275 3.996 ( -4.022 -0.016 -0.944) 4.131 4.027 ( 7.814 -0.215 -0.773) 7.855 4.062 ( 6.752 -0.149 -3.163) 7.457 4.542 ( 1.421 -0.247 7.988) 8.118 4.688 ( 2.445 -0.204 -6.884) 7.308 5.067 ( -0.823 0.109 1.401) 1.629 5.085 ( -1.654 0.755 0.760) 1.970 5.098 ( -1.610 -0.691 2.822) 3.321 5.150 ( -2.714 -0.026 -2.267) 3.536 5.170 ( -0.031 -0.038 8.995) 8.995 5.315 ( -0.002 -0.055 -5.387) 5.387 5.383 ( -0.398 0.209 3.207) 3.238 5.440 ( 0.144 0.250 -2.778) 2.793 5.729 ( -2.230 0.617 2.733) 3.581 5.774 ( -2.867 0.778 -2.101) 3.639 ======================= Grid point 331 (107/129) ======================= q-point: ( 0.33 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -0.139 -0.157 0.236) 0.316 1.540 ( -0.867 -0.517 -0.798) 1.287 1.713 ( -4.909 3.487 1.586) 6.227 1.725 ( -4.565 2.352 0.172) 5.138 1.897 ( -5.003 -2.865 2.149) 6.153 1.934 ( -3.061 -1.073 -2.131) 3.881 1.981 ( -0.296 -0.219 0.123) 0.388 2.002 ( -2.510 -1.910 -1.646) 3.558 2.447 ( 2.941 1.414 2.279) 3.980 2.466 ( 2.286 0.843 1.299) 2.761 2.536 ( 2.117 0.254 2.308) 3.142 2.571 ( 1.855 -1.027 -1.228) 2.451 2.839 ( 2.379 -0.540 10.868) 11.138 2.964 ( 1.345 2.980 -0.871) 3.384 3.072 ( 0.303 -3.408 6.494) 7.340 3.308 ( 2.856 -1.278 -6.876) 7.554 3.424 ( -0.071 0.582 -0.001) 0.586 3.481 ( -2.371 1.740 -8.581) 9.071 3.633 ( -0.040 0.496 0.513) 0.715 3.670 ( -0.970 -0.662 -5.027) 5.162 3.946 ( -0.076 -0.014 0.870) 0.873 3.958 ( -0.173 -0.092 -0.434) 0.477 4.122 ( 0.268 -0.073 -0.505) 0.576 4.151 ( 0.721 -0.016 -2.877) 2.966 4.573 ( 1.581 0.054 8.776) 8.917 4.735 ( 1.593 0.026 -7.775) 7.936 5.041 ( -0.725 0.141 2.657) 2.758 5.052 ( -0.487 0.574 2.113) 2.243 5.095 ( 0.630 -0.916 1.203) 1.638 5.117 ( -0.393 -0.180 -1.262) 1.334 5.174 ( -0.038 -0.042 7.748) 7.749 5.319 ( 0.287 -0.186 -5.606) 5.616 5.361 ( -1.366 0.152 3.345) 3.617 5.422 ( -1.610 0.162 -3.078) 3.477 5.682 ( -2.163 0.080 1.910) 2.887 5.716 ( -2.680 0.120 -1.626) 3.137 ======================= Grid point 332 (108/129) ======================= q-point: (-0.58 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -1.758 -0.516 1.100) 2.136 1.531 ( -0.372 -1.686 -0.178) 1.735 1.628 ( -3.149 -2.125 0.720) 3.867 1.642 ( -2.529 0.867 -0.550) 2.730 1.782 ( -8.430 -4.957 2.467) 10.085 1.838 ( -7.459 -4.005 -3.232) 9.062 1.969 ( -1.311 -0.066 0.812) 1.544 1.990 ( 0.048 -0.018 -1.195) 1.196 2.436 ( -1.883 1.339 1.658) 2.844 2.448 ( -2.362 1.016 0.523) 2.624 2.599 ( 3.727 2.011 3.629) 5.577 2.651 ( 3.970 0.249 -1.939) 4.425 2.857 ( -0.218 0.735 13.406) 13.428 2.965 ( 1.071 3.727 0.825) 3.965 3.096 ( -0.373 -2.241 3.136) 3.872 3.358 ( -0.304 0.612 -13.372) 13.390 3.424 ( -2.155 1.131 2.012) 3.158 3.493 ( 2.491 -0.920 -5.702) 6.290 3.589 ( -3.590 -0.829 -0.837) 3.779 3.613 ( -1.714 0.158 -3.304) 3.725 3.971 ( 2.819 -0.113 1.027) 3.003 3.988 ( 2.637 -0.264 -0.794) 2.767 4.057 ( -4.355 0.480 -0.236) 4.387 4.094 ( -4.852 0.700 -3.374) 5.952 4.582 ( -0.823 0.811 7.984) 8.067 4.723 ( -2.329 0.768 -6.453) 6.903 5.054 ( 1.661 -0.129 2.861) 3.311 5.075 ( 2.168 0.860 0.817) 2.472 5.114 ( 0.245 -0.202 0.471) 0.568 5.135 ( 2.210 -0.989 -1.454) 2.824 5.172 ( 0.048 -0.100 9.519) 9.520 5.324 ( -0.384 0.173 -4.601) 4.620 5.341 ( -0.404 -0.962 1.533) 1.854 5.391 ( -1.322 -1.209 -2.718) 3.256 5.646 ( -1.714 -1.378 1.216) 2.513 5.669 ( -2.419 -1.672 -1.183) 3.169 ======================= Grid point 333 (109/129) ======================= q-point: (-0.50 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( -2.694 0.060 2.638) 3.771 1.529 ( -1.499 -1.503 -2.217) 3.069 1.549 ( -9.893 -5.995 2.597) 11.855 1.600 ( -5.400 -4.096 -2.091) 7.093 1.676 ( -2.275 -5.503 1.988) 6.278 1.729 ( -4.142 -3.569 -2.911) 6.194 1.939 ( -1.550 -0.136 3.345) 3.689 1.989 ( 0.034 0.429 -2.008) 2.054 2.365 ( -3.674 0.897 1.784) 4.182 2.403 ( -1.791 0.732 -2.011) 2.791 2.637 ( 1.026 1.593 5.427) 5.749 2.695 ( 0.678 1.218 -1.261) 1.880 2.842 ( -0.990 1.198 11.676) 11.779 2.947 ( -1.133 4.140 -0.545) 4.327 3.052 ( -5.540 -0.335 4.262) 6.997 3.210 ( -12.638 2.830 -4.076) 13.577 3.260 ( -14.099 -0.162 3.006) 14.417 3.447 ( -3.157 -2.600 -18.279) 18.731 3.614 ( 2.560 0.435 1.929) 3.235 3.657 ( 2.706 0.433 -2.387) 3.635 3.930 ( -3.589 0.848 0.770) 3.768 3.988 ( -2.344 0.746 -4.259) 4.918 4.104 ( 8.487 0.699 2.051) 8.759 4.153 ( 10.439 0.504 -3.302) 10.961 4.537 ( -2.550 0.762 6.946) 7.438 4.656 ( -3.685 0.432 -5.382) 6.537 5.075 ( 0.047 0.191 1.946) 1.956 5.106 ( 0.982 0.335 -1.004) 1.444 5.118 ( 0.377 -0.207 3.603) 3.629 5.147 ( -1.173 0.012 2.970) 3.194 5.223 ( 4.036 -0.645 3.769) 5.560 5.304 ( -0.884 -0.505 -1.419) 1.747 5.351 ( 0.562 -1.205 -0.166) 1.340 5.391 ( 0.149 -0.754 -2.419) 2.538 5.631 ( -1.483 -3.331 1.060) 3.797 5.655 ( -0.059 -4.541 -1.552) 4.799 ======================= Grid point 334 (110/129) ======================= q-point: (-0.42 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( -13.298 -1.117 5.516) 14.440 1.382 ( -7.816 0.916 1.553) 8.021 1.464 ( -7.893 -2.099 -3.410) 8.850 1.484 ( -3.224 0.878 -3.487) 4.830 1.717 ( 0.025 -6.160 1.046) 6.248 1.728 ( -0.190 -7.386 -0.270) 7.393 1.918 ( -0.877 -1.008 4.995) 5.171 1.990 ( 0.250 -0.159 -2.708) 2.724 2.302 ( -2.140 0.268 3.633) 4.225 2.376 ( -0.474 0.773 -4.097) 4.196 2.611 ( -4.546 -0.379 2.797) 5.351 2.641 ( -7.928 0.697 -0.517) 7.975 2.739 ( -10.439 -0.201 5.917) 12.001 2.806 ( -12.893 2.040 -1.998) 13.205 2.883 ( -7.693 1.232 4.806) 9.154 2.969 ( -8.831 0.402 -0.546) 8.857 3.015 ( -4.333 4.444 11.567) 13.127 3.414 ( -1.278 0.491 -23.182) 23.222 3.617 ( -1.884 0.037 2.526) 3.152 3.667 ( -1.388 0.219 -2.566) 2.925 3.902 ( 1.030 0.651 1.993) 2.336 3.978 ( 1.821 0.911 -5.065) 5.459 4.261 ( 3.965 1.230 1.397) 4.380 4.281 ( -1.271 1.083 -0.613) 1.778 4.553 ( 6.506 -0.315 2.009) 6.817 4.608 ( 1.212 -1.084 -3.578) 3.930 5.065 ( -1.029 -0.414 2.770) 2.984 5.097 ( -2.894 -0.787 2.031) 3.622 5.109 ( -0.618 0.169 1.089) 1.264 5.120 ( -1.184 -0.794 -1.155) 1.835 5.301 ( 3.470 -0.285 4.080) 5.364 5.320 ( 1.649 0.142 2.501) 2.999 5.377 ( 0.267 0.514 -1.063) 1.211 5.395 ( 2.415 0.627 -2.139) 3.286 5.643 ( 0.571 -5.602 4.078) 6.953 5.724 ( 3.811 -5.155 -4.058) 7.587 ======================= Grid point 335 (111/129) ======================= q-point: (-0.33 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.063 ( -11.305 3.839 7.835) 14.281 1.184 ( -9.779 2.556 -2.062) 10.315 1.320 ( -6.491 4.104 1.008) 7.745 1.405 ( -3.503 3.486 -5.589) 7.460 1.734 ( -2.434 -4.021 0.921) 4.789 1.740 ( -2.669 -4.838 0.545) 5.552 1.905 ( -1.418 -0.846 5.992) 6.215 1.991 ( -0.593 -0.170 -3.092) 3.153 2.246 ( -11.714 -0.484 5.890) 13.120 2.299 ( -10.952 -0.954 0.633) 11.012 2.359 ( -11.299 -0.042 -0.104) 11.299 2.407 ( -3.976 1.213 -4.908) 6.432 2.603 ( -4.727 -2.219 1.203) 5.358 2.627 ( -5.482 -0.592 -1.332) 5.673 2.779 ( -3.384 -1.083 7.078) 7.920 2.849 ( -3.298 -0.354 4.257) 5.396 2.979 ( 1.090 3.525 9.572) 10.258 3.391 ( -0.222 2.143 -24.813) 24.906 3.554 ( -4.213 -0.315 2.576) 4.948 3.607 ( -4.216 0.119 -2.834) 5.082 3.940 ( 2.246 0.344 2.686) 3.518 4.026 ( 2.493 1.090 -5.575) 6.203 4.127 ( -10.036 0.579 3.054) 10.506 4.197 ( -8.895 -0.091 -4.296) 9.879 4.687 ( 6.460 -2.500 3.851) 7.925 4.754 ( 7.259 -2.207 -3.241) 8.250 5.020 ( -3.614 -1.550 2.512) 4.666 5.052 ( -1.818 0.933 0.076) 2.045 5.085 ( -0.299 -0.738 2.266) 2.402 5.131 ( 1.017 -0.950 -2.450) 2.818 5.312 ( -1.495 0.211 1.797) 2.347 5.327 ( -2.053 0.398 0.082) 2.093 5.411 ( 4.895 1.049 4.471) 6.712 5.482 ( 5.635 2.125 -2.107) 6.380 5.726 ( 4.389 -4.813 7.582) 9.996 5.853 ( 6.340 -3.017 -5.689) 9.037 ======================= Grid point 336 (112/129) ======================= q-point: (-0.25 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -3.383 9.757 9.416) 13.975 1.006 ( -4.755 6.367 0.023) 7.947 1.157 ( -6.639 8.266 0.429) 10.611 1.290 ( -4.856 6.995 -8.985) 12.379 1.609 ( -9.941 5.642 8.662) 14.342 1.702 ( -1.683 -1.699 -1.454) 2.799 1.856 ( -4.137 -0.694 6.069) 7.377 1.938 ( -6.635 -1.687 0.036) 6.846 1.991 ( -8.236 -0.489 0.052) 8.251 2.051 ( -5.878 -1.721 -3.708) 7.160 2.341 ( 2.276 -2.736 4.464) 5.709 2.418 ( 1.098 -1.890 -3.203) 3.878 2.527 ( -4.669 -4.496 2.220) 6.852 2.569 ( -1.454 -3.395 -1.799) 4.108 2.762 ( -0.204 -3.134 8.064) 8.654 2.829 ( 0.437 -0.975 2.905) 3.095 2.990 ( 1.576 2.630 6.859) 7.512 3.380 ( 0.660 3.440 -25.399) 25.640 3.474 ( -3.687 -1.049 2.114) 4.378 3.521 ( -4.067 -0.692 -2.611) 4.882 3.870 ( -9.387 1.008 2.129) 9.678 3.929 ( -10.706 0.111 -4.045) 11.445 4.027 ( -0.018 -0.230 2.677) 2.687 4.106 ( 1.253 -0.273 -5.047) 5.207 4.805 ( 3.043 -3.542 3.923) 6.099 4.853 ( 1.309 -3.072 -1.482) 3.653 4.971 ( -1.482 -0.207 3.228) 3.558 5.027 ( 0.159 1.470 -1.852) 2.369 5.103 ( 1.120 -2.072 3.576) 4.282 5.167 ( 1.899 -1.523 -3.072) 3.920 5.265 ( -2.919 -0.448 0.529) 3.000 5.277 ( -2.746 -0.296 -0.665) 2.841 5.492 ( 3.538 1.986 5.691) 6.989 5.563 ( 3.863 3.757 -1.635) 5.631 5.846 ( 4.527 -3.072 8.809) 10.370 5.990 ( 5.724 -0.886 -6.713) 8.866 ======================= Grid point 337 (113/129) ======================= q-point: (-0.17 0.17 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.787 ( -0.000 12.823 9.419) 15.911 0.935 ( -0.000 12.497 13.669) 18.520 0.986 ( -0.000 6.227 -11.020) 12.658 1.185 ( -0.000 7.271 -12.216) 14.216 1.432 ( -0.000 7.840 19.547) 21.061 1.726 ( 0.000 -0.217 -11.193) 11.195 1.801 ( 0.000 -1.100 0.620) 1.263 1.811 ( 0.000 -1.273 -0.381) 1.329 1.937 ( 0.000 -1.644 7.604) 7.780 2.043 ( 0.000 -1.307 -3.820) 4.037 2.384 ( 0.000 -1.192 3.115) 3.335 2.443 ( 0.000 -1.511 -2.904) 3.273 2.513 ( 0.000 -8.705 5.551) 10.324 2.595 ( 0.000 -5.329 -1.720) 5.600 2.783 ( 0.000 -3.372 9.235) 9.831 2.847 ( 0.000 -0.663 3.323) 3.389 2.994 ( -0.000 2.716 2.604) 3.763 3.366 ( -0.000 4.354 -26.575) 26.929 3.443 ( 0.000 -1.565 1.894) 2.457 3.482 ( 0.000 -1.528 -2.178) 2.661 3.751 ( -0.000 1.013 1.738) 2.011 3.781 ( -0.000 0.844 -1.391) 1.627 4.038 ( 0.000 -0.345 3.374) 3.392 4.124 ( 0.000 -0.236 -5.268) 5.273 4.848 ( 0.000 -2.839 2.214) 3.600 4.872 ( 0.000 -1.912 -0.548) 1.989 4.962 ( -0.000 0.072 4.177) 4.178 5.025 ( -0.000 1.426 -1.792) 2.290 5.146 ( 0.000 -5.229 3.651) 6.377 5.219 ( 0.000 -3.429 -3.781) 5.104 5.222 ( -0.000 0.357 0.557) 0.662 5.234 ( -0.000 0.366 -0.661) 0.756 5.515 ( -0.000 2.510 5.239) 5.810 5.577 ( -0.000 4.825 -1.370) 5.016 5.912 ( 0.000 -2.727 8.670) 9.089 6.058 ( 0.000 -0.535 -7.185) 7.205 ======================= Grid point 342 (114/129) ======================= q-point: ( 0.25 0.25 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.527 ( -0.301 0.000 -0.045) 0.304 1.537 ( -1.108 0.000 -0.683) 1.302 1.736 ( -5.752 0.000 1.101) 5.856 1.745 ( -4.423 0.000 0.817) 4.498 1.875 ( -6.640 0.000 2.634) 7.143 1.925 ( -4.292 0.000 -2.647) 5.043 1.980 ( -0.038 0.000 -0.233) 0.236 1.990 ( -1.914 0.000 -1.293) 2.310 2.459 ( 4.346 -0.000 1.849) 4.723 2.470 ( 1.121 -0.000 2.869) 3.080 2.540 ( 3.776 -0.000 0.832) 3.867 2.562 ( 1.208 -0.000 -0.864) 1.485 2.836 ( 2.648 -0.000 10.839) 11.157 2.990 ( 2.619 -0.000 -6.462) 6.973 3.042 ( -0.522 0.000 12.219) 12.230 3.300 ( 2.681 -0.000 -6.627) 7.149 3.427 ( 0.138 -0.000 0.115) 0.179 3.492 ( -2.408 0.000 -9.250) 9.558 3.637 ( 0.004 -0.000 0.186) 0.187 3.665 ( -1.211 0.000 -4.547) 4.706 3.946 ( -0.086 0.000 0.848) 0.852 3.957 ( -0.188 0.000 -0.404) 0.446 4.122 ( 0.305 -0.000 -0.475) 0.564 4.151 ( 0.829 -0.000 -2.888) 3.004 4.573 ( 1.832 -0.000 8.774) 8.964 4.735 ( 1.844 -0.000 -7.760) 7.976 5.042 ( -0.836 0.000 2.774) 2.898 5.057 ( -0.623 0.000 2.174) 2.261 5.088 ( 0.637 -0.000 1.281) 1.431 5.116 ( -0.335 0.000 -1.432) 1.471 5.174 ( -0.056 0.000 7.631) 7.631 5.318 ( 0.290 -0.000 -5.620) 5.627 5.362 ( -1.546 0.000 3.363) 3.702 5.423 ( -1.813 0.000 -3.059) 3.556 5.682 ( -2.499 0.000 1.927) 3.156 5.716 ( -3.094 0.000 -1.636) 3.500 ======================= Grid point 343 (115/129) ======================= q-point: (-0.67 0.25 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -1.883 -0.396 0.317) 1.950 1.516 ( -1.166 -0.819 -0.186) 1.437 1.617 ( -5.818 -0.125 2.699) 6.415 1.662 ( -3.417 1.953 -1.515) 4.218 1.731 ( -7.883 -3.244 2.835) 8.983 1.800 ( -7.346 -1.884 -4.001) 8.574 1.968 ( -1.194 -0.019 0.930) 1.513 1.990 ( 0.466 0.025 -1.228) 1.314 2.449 ( -2.130 0.759 1.889) 2.946 2.454 ( -2.757 -0.019 1.140) 2.983 2.623 ( 3.666 1.611 1.762) 4.374 2.648 ( 4.617 -0.685 -0.900) 4.754 2.862 ( 0.240 0.202 13.693) 13.697 3.011 ( 1.024 3.664 -1.519) 4.097 3.063 ( 0.745 -3.024 5.606) 6.413 3.353 ( 1.453 -0.538 -9.323) 9.451 3.450 ( -2.665 2.568 -3.852) 5.341 3.477 ( -0.745 -1.757 -6.873) 7.134 3.582 ( -2.866 -0.370 0.830) 3.006 3.614 ( -0.944 0.090 -2.955) 3.103 3.970 ( 2.814 -0.041 0.927) 2.963 3.985 ( 2.540 -0.104 -0.767) 2.656 4.061 ( -3.929 0.166 -0.038) 3.933 4.100 ( -4.473 0.259 -3.413) 5.633 4.588 ( -0.748 0.309 8.008) 8.048 4.729 ( -2.301 0.297 -6.400) 6.808 5.054 ( 1.678 -0.015 3.203) 3.616 5.086 ( 2.702 0.951 0.172) 2.870 5.109 ( 0.947 -0.560 0.571) 1.239 5.124 ( 1.436 -0.578 -0.751) 1.720 5.171 ( -0.052 -0.046 9.217) 9.217 5.325 ( 0.028 0.133 -5.193) 5.195 5.333 ( -1.047 -0.435 1.760) 2.094 5.380 ( -2.020 -0.478 -2.636) 3.356 5.635 ( -2.312 -0.493 1.071) 2.595 5.656 ( -3.136 -0.561 -1.096) 3.369 ======================= Grid point 344 (116/129) ======================= q-point: (-0.58 0.25 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( -2.539 -1.215 1.601) 3.238 1.488 ( -5.773 -3.656 1.105) 6.922 1.510 ( -3.850 -1.254 1.199) 4.223 1.575 ( -6.058 -0.836 -3.687) 7.141 1.624 ( -3.419 -3.077 3.383) 5.710 1.698 ( -3.647 -1.596 -3.592) 5.362 1.938 ( -1.743 -0.046 3.680) 4.072 1.993 ( -0.063 0.245 -2.236) 2.250 2.372 ( -4.114 0.329 1.591) 4.423 2.407 ( -2.218 0.077 -1.771) 2.840 2.655 ( 0.526 1.200 5.098) 5.263 2.706 ( 0.842 0.670 -1.319) 1.702 2.854 ( -1.217 0.739 12.337) 12.419 2.985 ( -2.875 1.952 -2.667) 4.381 3.054 ( -3.490 0.741 6.907) 7.774 3.235 ( -14.704 0.866 -1.199) 14.778 3.259 ( -12.887 0.472 -0.028) 12.896 3.418 ( -0.797 -2.125 -20.048) 20.176 3.619 ( 2.298 0.272 1.831) 2.951 3.661 ( 2.531 0.281 -2.518) 3.581 3.938 ( -3.539 0.477 0.871) 3.676 3.995 ( -2.009 0.399 -4.088) 4.573 4.111 ( 8.467 0.443 1.854) 8.679 4.158 ( 10.661 0.316 -3.301) 11.165 4.545 ( -2.837 0.436 6.862) 7.438 4.660 ( -4.164 0.260 -5.171) 6.644 5.078 ( 0.301 0.278 2.196) 2.234 5.106 ( -0.339 -0.307 -0.282) 0.538 5.124 ( 1.002 1.098 2.455) 2.870 5.146 ( -1.172 -0.248 2.325) 2.615 5.214 ( 4.245 -0.812 5.751) 7.194 5.299 ( -1.466 -0.175 -1.582) 2.164 5.337 ( 1.258 -1.085 -0.098) 1.664 5.383 ( 1.227 -0.512 -3.200) 3.465 5.600 ( -2.561 -1.744 0.180) 3.104 5.612 ( -0.894 -2.653 -1.091) 3.004 ======================= Grid point 345 (117/129) ======================= q-point: (-0.50 0.25 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -9.570 1.029 4.123) 10.471 1.390 ( -7.437 0.491 -1.626) 7.629 1.452 ( -3.721 -0.600 -0.573) 3.812 1.483 ( -2.277 -1.189 -2.211) 3.389 1.641 ( 0.641 -6.226 1.550) 6.447 1.659 ( -1.720 -3.663 0.305) 4.058 1.908 ( -1.310 -0.612 5.364) 5.556 1.989 ( -0.105 -0.046 -3.200) 3.202 2.303 ( -2.585 -0.100 3.353) 4.235 2.380 ( -0.520 -0.142 -4.601) 4.632 2.609 ( -7.345 0.082 2.187) 7.664 2.642 ( -9.232 -0.227 -1.719) 9.394 2.745 ( -9.747 0.900 9.003) 13.299 2.821 ( -11.711 0.586 -0.421) 11.733 2.899 ( -7.928 1.380 4.089) 9.026 2.973 ( -9.894 0.372 -1.530) 10.018 3.063 ( -3.730 3.387 9.087) 10.390 3.419 ( -0.099 0.292 -22.533) 22.535 3.617 ( -2.166 -0.094 2.493) 3.304 3.669 ( -1.559 0.017 -2.850) 3.249 3.908 ( 0.748 0.378 2.256) 2.406 3.987 ( 1.795 0.626 -5.200) 5.537 4.275 ( 4.195 1.004 1.191) 4.475 4.292 ( -1.479 0.759 -0.570) 1.757 4.551 ( 5.867 -0.041 1.458) 6.045 4.594 ( -0.053 -1.192 -2.884) 3.121 5.059 ( -2.708 -0.506 3.015) 4.084 5.089 ( -1.289 -0.558 2.155) 2.573 5.113 ( -0.990 0.296 1.004) 1.441 5.113 ( -1.716 -0.261 -2.038) 2.677 5.300 ( 4.115 0.067 5.621) 6.966 5.323 ( 3.201 0.318 3.081) 4.454 5.383 ( 0.051 0.518 -0.947) 1.080 5.400 ( 2.935 0.131 -2.158) 3.645 5.583 ( 0.224 -4.166 3.427) 5.399 5.669 ( 4.591 -4.009 -4.781) 7.747 ======================= Grid point 346 (118/129) ======================= q-point: (-0.42 0.25 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -6.772 6.895 5.017) 10.889 1.217 ( -7.709 3.071 -3.344) 8.946 1.378 ( -3.158 5.213 2.940) 6.767 1.439 ( -1.623 1.955 -2.732) 3.731 1.668 ( -0.773 -6.616 1.598) 6.850 1.683 ( -0.859 -4.426 -0.304) 4.519 1.892 ( -1.028 -1.157 6.103) 6.296 1.989 ( -0.270 -0.280 -3.816) 3.836 2.242 ( -11.207 -0.220 4.761) 12.178 2.282 ( -14.043 -1.906 0.031) 14.172 2.344 ( -12.058 -2.307 0.785) 12.302 2.414 ( -2.383 -0.542 -5.450) 5.972 2.596 ( -6.341 1.430 2.832) 7.090 2.643 ( -6.437 2.884 -2.032) 7.340 2.764 ( -5.194 -1.288 7.087) 8.881 2.840 ( -4.151 -1.224 0.961) 4.433 3.016 ( -0.034 2.590 11.643) 11.928 3.413 ( 0.230 1.543 -23.819) 23.870 3.549 ( -4.588 -0.578 2.679) 5.344 3.607 ( -4.417 -0.139 -3.371) 5.558 3.944 ( 2.280 0.280 3.226) 3.960 4.039 ( 2.935 1.095 -6.039) 6.803 4.133 ( -10.568 0.426 2.684) 10.912 4.195 ( -10.223 -0.210 -3.872) 10.934 4.660 ( 5.744 -1.944 4.201) 7.377 4.728 ( 6.291 -2.073 -3.099) 7.313 4.998 ( -3.384 -1.889 3.224) 5.042 5.056 ( -2.208 -0.312 -2.098) 3.061 5.085 ( 0.408 0.558 2.429) 2.525 5.127 ( 1.196 0.188 -1.493) 1.923 5.318 ( -1.872 0.664 1.915) 2.759 5.336 ( -2.405 0.917 -0.259) 2.587 5.421 ( 5.485 0.617 5.927) 8.099 5.497 ( 5.787 0.121 -0.979) 5.870 5.677 ( 6.284 -3.097 7.344) 10.149 5.819 ( 7.981 -2.518 -6.873) 10.829 ======================= Grid point 347 (119/129) ======================= q-point: (-0.33 0.25 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( -0.070 11.864 5.156) 12.936 1.081 ( -2.408 6.302 -1.327) 6.876 1.267 ( -3.815 9.986 3.887) 11.374 1.375 ( -3.022 6.931 -5.967) 9.632 1.642 ( -4.189 -0.581 3.471) 5.471 1.681 ( -0.922 -1.826 -0.395) 2.083 1.858 ( -5.453 1.023 6.575) 8.603 1.912 ( -8.643 -2.519 2.488) 9.340 1.980 ( -8.689 -1.323 -1.016) 8.848 2.025 ( -5.344 -2.761 -3.731) 7.078 2.309 ( 1.260 -2.388 6.029) 6.606 2.402 ( -0.600 -0.519 -2.525) 2.646 2.480 ( -5.572 -3.183 1.558) 6.604 2.541 ( -2.580 -0.841 -4.041) 4.867 2.725 ( -0.764 -3.040 6.898) 7.577 2.806 ( -0.589 -2.859 -0.902) 3.055 3.017 ( 1.162 1.805 11.566) 11.763 3.414 ( 0.952 2.117 -22.957) 23.074 3.461 ( -4.179 -1.139 1.670) 4.643 3.514 ( -4.620 -0.409 -3.922) 6.074 3.881 ( -9.402 0.859 1.873) 9.625 3.931 ( -10.619 0.212 -3.085) 11.060 4.023 ( -0.160 -0.397 2.937) 2.968 4.108 ( 1.972 0.583 -5.525) 5.896 4.764 ( 2.867 -3.144 4.465) 6.168 4.816 ( 1.506 -2.993 -1.530) 3.683 4.961 ( -1.306 -1.395 3.867) 4.313 5.035 ( -0.195 -0.104 -2.986) 2.994 5.096 ( 0.918 0.644 3.257) 3.445 5.155 ( 1.580 -0.410 -2.649) 3.112 5.263 ( -2.767 0.055 0.707) 2.857 5.277 ( -2.825 0.269 -0.752) 2.936 5.510 ( 3.568 1.107 7.585) 8.455 5.596 ( 4.126 1.583 -0.942) 4.518 5.819 ( 5.587 -1.393 8.943) 10.637 5.981 ( 6.579 -0.613 -8.011) 10.384 ======================= Grid point 348 (120/129) ======================= q-point: (-0.25 0.25 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -0.000 12.696 6.262) 14.156 1.068 ( -0.000 7.490 -7.560) 10.642 1.097 ( -0.000 14.212 9.995) 17.375 1.281 ( -0.000 8.592 -8.961) 12.415 1.533 ( -0.000 8.344 13.464) 15.840 1.718 ( 0.000 -1.111 -5.531) 5.642 1.781 ( 0.000 -2.433 0.401) 2.466 1.792 ( 0.000 -1.860 -0.673) 1.978 1.915 ( 0.000 -1.914 7.446) 7.688 2.024 ( 0.000 -1.827 -4.046) 4.439 2.368 ( 0.000 -1.464 2.971) 3.313 2.409 ( 0.000 -8.136 7.226) 10.882 2.423 ( 0.000 -1.700 -2.699) 3.190 2.538 ( 0.000 -3.800 -5.301) 6.522 2.742 ( 0.000 -3.524 7.126) 7.950 2.827 ( 0.000 -2.806 -0.884) 2.942 3.022 ( -0.000 1.953 8.749) 8.965 3.417 ( -0.000 3.959 -25.885) 26.186 3.422 ( 0.000 -1.782 1.933) 2.629 3.462 ( 0.000 -1.851 -2.110) 2.807 3.764 ( -0.000 1.126 1.634) 1.985 3.792 ( -0.000 0.948 -1.266) 1.581 4.035 ( 0.000 -0.286 3.627) 3.638 4.125 ( -0.000 0.571 -5.661) 5.690 4.810 ( 0.000 -3.395 3.347) 4.767 4.844 ( 0.000 -2.730 -0.802) 2.845 4.957 ( 0.000 -0.936 4.540) 4.636 5.036 ( -0.000 0.259 -2.921) 2.932 5.109 ( 0.000 -0.970 4.217) 4.327 5.186 ( 0.000 -1.906 -3.760) 4.216 5.227 ( -0.000 0.417 0.561) 0.699 5.239 ( -0.000 0.414 -0.662) 0.781 5.538 ( -0.000 1.503 7.549) 7.697 5.625 ( -0.000 2.971 -1.346) 3.261 5.886 ( 0.000 -1.501 9.521) 9.639 6.054 ( 0.000 -0.151 -8.437) 8.438 ======================= Grid point 355 (121/129) ======================= q-point: (-0.67 0.33 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.457 ( -2.698 0.000 0.905) 2.846 1.465 ( -4.938 0.000 1.427) 5.140 1.503 ( -4.082 0.000 1.408) 4.318 1.571 ( -7.067 0.000 -4.334) 8.290 1.605 ( -3.068 0.000 4.431) 5.389 1.689 ( -3.200 0.000 -3.806) 4.973 1.938 ( -1.802 0.000 3.795) 4.201 1.994 ( -0.090 0.000 -2.313) 2.314 2.374 ( -4.282 0.000 1.476) 4.529 2.407 ( -2.408 0.000 -1.669) 2.930 2.662 ( 0.307 -0.000 4.972) 4.981 2.710 ( 0.969 -0.000 -1.295) 1.617 2.859 ( -1.233 0.000 12.531) 12.591 2.995 ( -4.429 0.000 -3.275) 5.509 3.062 ( -1.817 0.000 7.799) 8.008 3.236 ( -14.293 0.000 0.482) 14.301 3.266 ( -14.364 0.000 -1.013) 14.400 3.404 ( 0.758 -0.000 -21.506) 21.520 3.620 ( 2.194 -0.000 1.790) 2.832 3.663 ( 2.443 -0.000 -2.582) 3.555 3.941 ( -3.526 0.000 0.900) 3.640 3.997 ( -1.874 0.000 -4.019) 4.434 4.114 ( 8.445 -0.000 1.783) 8.631 4.160 ( 10.744 -0.000 -3.297) 11.239 4.547 ( -2.951 0.000 6.832) 7.442 4.662 ( -4.353 0.000 -5.099) 6.704 5.080 ( 0.533 -0.000 2.370) 2.429 5.103 ( -0.682 0.000 0.194) 0.709 5.135 ( 1.242 -0.000 1.708) 2.112 5.141 ( -1.523 0.000 1.599) 2.208 5.208 ( 4.391 -0.000 7.258) 8.483 5.299 ( -1.926 0.000 -2.149) 2.886 5.329 ( 1.800 -0.000 0.280) 1.821 5.380 ( 1.673 -0.000 -3.617) 3.985 5.590 ( -3.225 0.000 -0.203) 3.231 5.595 ( -1.005 0.000 -0.833) 1.305 ======================= Grid point 357 (122/129) ======================= q-point: (-0.58 0.33 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( -6.147 1.849 2.498) 6.888 1.401 ( -5.321 1.163 -2.220) 5.882 1.436 ( -3.584 -1.572 -0.647) 3.966 1.460 ( -1.534 -2.180 -1.879) 3.261 1.591 ( 0.457 -1.820 4.034) 4.449 1.633 ( -2.909 -0.975 0.323) 3.085 1.903 ( -1.573 -0.195 5.553) 5.775 1.989 ( -0.307 0.002 -3.480) 3.494 2.301 ( -2.822 -0.094 2.865) 4.022 2.376 ( -0.549 -0.272 -4.897) 4.935 2.611 ( -9.321 0.114 1.750) 9.485 2.640 ( -10.720 -0.102 -1.734) 10.860 2.754 ( -8.383 0.446 10.373) 13.345 2.824 ( -10.521 0.007 0.915) 10.561 2.912 ( -8.419 0.643 3.236) 9.042 2.977 ( -10.273 0.166 -2.780) 10.644 3.092 ( -3.565 1.265 8.182) 9.014 3.421 ( 0.622 0.073 -21.925) 21.934 3.616 ( -2.399 -0.058 2.421) 3.408 3.668 ( -1.716 -0.024 -3.095) 3.540 3.911 ( 0.588 0.114 2.433) 2.506 3.992 ( 1.797 0.221 -5.292) 5.593 4.283 ( 4.616 0.405 1.021) 4.745 4.298 ( -1.919 0.261 -0.464) 1.991 4.552 ( 6.338 0.128 0.781) 6.387 4.582 ( -1.676 -0.630 -2.160) 2.806 5.055 ( -4.176 -0.226 3.175) 5.251 5.084 ( 0.054 -0.193 2.016) 2.026 5.111 ( -3.339 -0.041 -1.682) 3.739 5.116 ( 0.109 0.154 0.173) 0.256 5.301 ( 4.673 0.128 6.826) 8.273 5.326 ( 4.772 0.174 3.613) 5.988 5.389 ( -0.642 0.508 -0.842) 1.175 5.398 ( 2.994 -0.363 -2.036) 3.639 5.549 ( 0.131 -1.489 2.632) 3.027 5.634 ( 5.105 -1.576 -5.372) 7.576 ======================= Grid point 358 (123/129) ======================= q-point: (-0.50 0.33 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 362 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -3.479 7.033 1.462) 7.981 1.256 ( -6.096 3.161 -2.442) 7.289 1.424 ( 0.169 1.162 1.792) 2.142 1.453 ( -0.008 1.036 -0.761) 1.286 1.594 ( -1.129 -4.752 4.237) 6.466 1.637 ( 0.912 -3.209 -0.219) 3.343 1.881 ( -1.058 -0.703 6.401) 6.526 1.986 ( -0.107 -0.196 -4.353) 4.359 2.239 ( -15.321 -0.304 3.478) 15.714 2.259 ( -13.073 -1.488 1.115) 13.205 2.316 ( -12.797 -1.953 -0.020) 12.945 2.397 ( -0.320 -1.660 -6.452) 6.670 2.630 ( -6.861 3.663 4.006) 8.749 2.678 ( -5.122 1.934 0.337) 5.485 2.754 ( -7.359 0.030 4.040) 8.395 2.819 ( -5.848 -2.218 -1.163) 6.362 3.039 ( -0.976 1.375 13.344) 13.450 3.427 ( 0.360 0.764 -22.617) 22.633 3.542 ( -4.904 -0.514 2.754) 5.647 3.605 ( -4.488 -0.200 -4.195) 6.146 3.947 ( 2.390 0.181 3.724) 4.429 4.050 ( 3.530 0.732 -6.448) 7.388 4.137 ( -11.094 0.200 2.419) 11.357 4.192 ( -11.217 -0.186 -3.525) 11.759 4.642 ( 5.303 -1.033 4.228) 6.860 4.707 ( 5.758 -1.280 -2.848) 6.550 4.979 ( -3.287 -1.104 3.525) 4.944 5.050 ( -2.371 -0.550 -3.326) 4.121 5.093 ( 0.886 0.570 2.298) 2.528 5.131 ( 1.306 0.418 -0.774) 1.575 5.328 ( -2.541 0.936 1.546) 3.118 5.345 ( -2.608 0.514 -0.408) 2.689 5.430 ( 5.574 1.047 6.799) 8.854 5.484 ( 5.894 -1.963 2.041) 6.539 5.655 ( 8.183 -0.871 5.453) 9.872 5.795 ( 9.305 -1.453 -7.719) 12.177 ======================= Grid point 359 (124/129) ======================= q-point: (-0.42 0.33 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( -0.394 9.112 1.747) 9.287 1.157 ( 0.589 7.182 -0.697) 7.240 1.385 ( -1.153 9.290 4.154) 10.242 1.448 ( -0.202 5.012 -2.192) 5.474 1.612 ( -1.512 -3.899 3.537) 5.477 1.652 ( 0.395 -2.386 -0.625) 2.498 1.856 ( -3.754 -2.778 5.698) 7.367 1.890 ( -13.492 -0.317 1.698) 13.603 1.955 ( -10.937 -3.003 -1.260) 11.411 1.995 ( -1.304 -1.613 -4.440) 4.900 2.286 ( 0.564 -1.472 7.242) 7.412 2.402 ( -0.949 -0.180 -3.825) 3.945 2.459 ( -7.227 0.220 3.361) 7.974 2.552 ( -4.071 2.602 -5.506) 7.326 2.689 ( -1.358 -2.916 5.522) 6.390 2.762 ( -1.989 -4.469 -2.593) 5.537 3.033 ( 0.769 0.942 15.073) 15.122 3.429 ( -0.011 0.562 -16.446) 16.456 3.448 ( -4.143 -1.012 -0.090) 4.265 3.512 ( -4.258 0.143 -8.242) 9.278 3.890 ( -9.353 0.583 1.771) 9.537 3.935 ( -10.883 0.335 -2.545) 11.182 4.018 ( 0.435 -0.443 3.835) 3.885 4.118 ( 2.508 0.937 -6.427) 6.962 4.733 ( 2.641 -2.058 4.585) 5.677 4.784 ( 1.500 -2.233 -1.418) 3.041 4.944 ( -1.143 -1.293 4.102) 4.450 5.029 ( -0.322 -0.678 -3.886) 3.958 5.108 ( 0.953 1.050 2.476) 2.853 5.156 ( 1.392 0.447 -1.772) 2.297 5.265 ( -2.766 0.221 0.767) 2.878 5.281 ( -2.988 0.391 -0.939) 3.156 5.519 ( 3.576 0.589 9.029) 9.729 5.602 ( 4.430 -0.321 1.091) 4.573 5.813 ( 6.460 0.182 7.461) 9.871 5.976 ( 7.325 -0.340 -8.787) 11.445 ======================= Grid point 360 (125/129) ======================= q-point: (-0.33 0.33 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 199 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -0.000 9.945 4.981) 11.123 1.162 ( -0.000 8.322 -4.903) 9.659 1.265 ( -0.000 13.722 6.684) 15.264 1.382 ( -0.000 8.112 -5.286) 9.682 1.604 ( -0.000 2.284 8.302) 8.610 1.705 ( 0.000 -0.629 -1.745) 1.855 1.740 ( 0.000 -4.402 0.850) 4.484 1.767 ( 0.000 -2.349 -1.891) 3.015 1.895 ( 0.000 -1.332 6.782) 6.912 2.002 ( 0.000 -1.698 -4.246) 4.574 2.334 ( 0.000 -3.800 9.510) 10.241 2.351 ( 0.000 -1.334 2.898) 3.190 2.404 ( 0.000 -1.434 -2.576) 2.948 2.511 ( 0.000 -0.526 -8.039) 8.056 2.700 ( 0.000 -3.535 5.374) 6.432 2.779 ( 0.000 -5.104 -3.505) 6.192 3.040 ( -0.000 1.076 14.058) 14.099 3.402 ( 0.000 -1.540 1.908) 2.452 3.440 ( 0.000 -1.674 -1.994) 2.604 3.457 ( -0.000 2.688 -25.497) 25.639 3.776 ( -0.000 0.942 1.549) 1.813 3.803 ( -0.000 0.802 -1.145) 1.398 4.032 ( 0.000 -0.128 4.307) 4.309 4.137 ( -0.000 1.235 -6.489) 6.606 4.772 ( 0.000 -2.792 4.010) 4.887 4.811 ( 0.000 -2.612 -0.825) 2.739 4.942 ( 0.000 -1.401 4.660) 4.866 5.032 ( 0.000 -0.675 -3.596) 3.659 5.112 ( -0.000 1.024 2.996) 3.166 5.174 ( 0.000 -0.218 -2.823) 2.831 5.232 ( -0.000 0.365 0.557) 0.666 5.244 ( -0.000 0.352 -0.655) 0.744 5.552 ( -0.000 0.833 9.242) 9.279 5.646 ( -0.000 0.715 -0.091) 0.721 5.878 ( -0.000 0.204 8.790) 8.792 6.054 ( -0.000 0.074 -9.226) 9.226 ======================= Grid point 369 (126/129) ======================= q-point: (-0.58 0.42 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -2.406 0.000 -0.819) 2.542 1.279 ( -5.767 0.000 -1.651) 5.999 1.424 ( 1.532 -0.000 1.472) 2.125 1.453 ( 1.680 -0.000 -1.502) 2.254 1.572 ( -2.368 0.000 6.048) 6.495 1.613 ( 1.922 -0.000 1.098) 2.214 1.876 ( -1.095 0.000 6.515) 6.606 1.985 ( -0.075 0.000 -4.554) 4.555 2.236 ( -21.922 0.000 1.826) 21.998 2.251 ( -7.405 0.000 2.862) 7.939 2.304 ( -13.930 0.000 -0.802) 13.953 2.386 ( 0.554 -0.000 -6.613) 6.637 2.665 ( -8.124 0.000 3.141) 8.710 2.677 ( -2.461 0.000 5.276) 5.822 2.764 ( -7.684 0.000 0.015) 7.684 2.798 ( -7.603 0.000 -1.976) 7.855 3.048 ( -1.355 0.000 14.014) 14.080 3.432 ( 0.375 -0.000 -22.065) 22.068 3.538 ( -5.038 0.000 2.799) 5.763 3.603 ( -4.494 0.000 -4.618) 6.444 3.948 ( 2.462 -0.000 3.931) 4.638 4.055 ( 3.836 -0.000 -6.614) 7.646 4.138 ( -11.342 0.000 2.325) 11.578 4.191 ( -11.595 0.000 -3.396) 12.082 4.636 ( 5.158 -0.000 4.186) 6.643 4.699 ( 5.593 -0.000 -2.722) 6.220 4.973 ( -3.260 0.000 3.602) 4.858 5.046 ( -2.387 0.000 -3.635) 4.349 5.097 ( 1.011 -0.000 2.199) 2.420 5.134 ( 1.357 -0.000 -0.583) 1.477 5.335 ( -3.525 0.000 0.835) 3.623 5.347 ( -1.863 0.000 0.254) 1.880 5.443 ( 3.841 -0.000 6.228) 7.317 5.464 ( 7.620 -0.000 4.245) 8.722 5.651 ( 8.831 -0.000 4.413) 9.872 5.786 ( 9.826 -0.000 -8.033) 12.692 ======================= Grid point 371 (127/129) ======================= q-point: (-0.50 0.42 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 360 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -1.475 2.496 2.573) 3.876 1.249 ( 2.300 5.310 -3.427) 6.725 1.463 ( 1.872 2.840 2.369) 4.145 1.496 ( 2.079 3.268 0.316) 3.886 1.557 ( 0.169 -4.119 6.904) 8.041 1.645 ( 0.575 0.946 -2.024) 2.307 1.810 ( -11.412 -3.502 6.715) 13.696 1.895 ( -8.054 0.839 1.075) 8.169 1.919 ( -12.319 -2.525 -2.152) 12.758 1.986 ( -0.115 -0.229 -5.260) 5.266 2.274 ( 0.927 -0.548 7.224) 7.304 2.395 ( -0.333 -0.544 -5.136) 5.176 2.478 ( -9.039 1.760 5.045) 10.500 2.591 ( -5.224 2.976 -6.100) 8.565 2.661 ( -1.714 -1.374 3.764) 4.358 2.708 ( -2.930 -3.808 -1.980) 5.197 3.040 ( 0.519 0.276 16.924) 16.934 3.432 ( -1.272 0.209 -11.108) 11.183 3.438 ( -3.833 -0.638 -1.427) 4.140 3.515 ( -3.544 0.163 -12.054) 12.566 3.894 ( -9.326 0.211 1.773) 9.496 3.938 ( -11.347 0.181 -2.439) 11.608 4.014 ( 1.216 -0.203 4.657) 4.817 4.127 ( 2.815 0.443 -7.124) 7.673 4.716 ( 2.511 -0.698 4.469) 5.174 4.766 ( 1.452 -0.844 -1.268) 2.105 4.933 ( -1.069 -0.488 4.137) 4.301 5.022 ( -0.341 -0.320 -4.406) 4.430 5.117 ( 0.975 0.410 2.187) 2.430 5.161 ( 1.350 0.288 -1.358) 1.936 5.268 ( -2.852 0.115 0.749) 2.951 5.285 ( -3.144 0.181 -1.098) 3.335 5.524 ( 3.533 0.238 9.843) 10.461 5.596 ( 4.844 -0.448 2.709) 5.568 5.817 ( 6.842 0.296 6.146) 9.202 5.973 ( 7.749 -0.113 -9.115) 11.964 ======================= Grid point 372 (128/129) ======================= q-point: (-0.42 0.42 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -0.000 5.287 5.393) 7.552 1.261 ( -0.000 7.586 -4.732) 8.940 1.416 ( -0.000 11.121 3.656) 11.707 1.467 ( -0.000 5.888 -1.632) 6.110 1.589 ( 0.000 -3.257 9.216) 9.775 1.675 ( 0.000 -6.400 2.291) 6.797 1.698 ( 0.000 -1.174 -2.304) 2.586 1.738 ( 0.000 -2.210 -4.052) 4.615 1.886 ( 0.000 -0.358 5.139) 5.152 1.987 ( 0.000 -0.716 -4.677) 4.731 2.321 ( -0.000 1.007 10.874) 10.920 2.338 ( 0.000 -0.785 2.867) 2.972 2.390 ( 0.000 -0.817 -2.535) 2.664 2.522 ( -0.000 1.971 -9.433) 9.637 2.661 ( 0.000 -2.712 3.569) 4.482 2.712 ( 0.000 -5.626 -3.063) 6.406 3.048 ( -0.000 0.397 17.172) 17.176 3.387 ( 0.000 -0.892 1.857) 2.060 3.424 ( 0.000 -0.997 -1.885) 2.132 3.481 ( -0.000 1.303 -25.331) 25.364 3.785 ( -0.000 0.531 1.497) 1.589 3.810 ( -0.000 0.456 -1.060) 1.154 4.031 ( 0.000 -0.015 5.047) 5.047 4.151 ( -0.000 1.030 -7.377) 7.449 4.746 ( 0.000 -1.484 4.095) 4.355 4.785 ( 0.000 -1.621 -0.707) 1.769 4.928 ( 0.000 -0.894 4.589) 4.675 5.024 ( 0.000 -0.593 -4.343) 4.383 5.124 ( -0.000 0.770 2.370) 2.492 5.176 ( -0.000 0.379 -2.079) 2.113 5.235 ( -0.000 0.212 0.551) 0.590 5.247 ( -0.000 0.201 -0.646) 0.677 5.559 ( -0.000 0.436 10.251) 10.260 5.647 ( 0.000 -0.291 1.660) 1.685 5.885 ( -0.000 0.688 7.374) 7.406 6.055 ( -0.000 0.083 -9.571) 9.572 ======================= Grid point 384 (129/129) ======================= q-point: ( 0.50 -0.50 0.40) 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 8.58e-05 8.58e-05 6.24e-05 6.24e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -0.000 0.000 6.105) 6.105 1.314 ( -0.000 0.000 -6.351) 6.351 1.490 ( 0.000 -0.000 1.897) 1.897 1.522 ( -0.000 0.000 -1.519) 1.519 1.562 ( 0.000 -0.000 11.504) 11.504 1.613 ( 0.000 -0.000 5.536) 5.536 1.687 ( -0.000 0.000 -2.764) 2.764 1.723 ( -0.000 0.000 -5.651) 5.651 1.884 ( -0.000 0.000 4.410) 4.410 1.983 ( -0.000 0.000 -5.130) 5.130 2.333 ( -0.000 0.000 10.903) 10.903 2.333 ( -0.000 0.000 2.854) 2.854 2.385 ( -0.000 0.000 -2.529) 2.529 2.540 ( -0.000 0.000 -10.465) 10.465 2.644 ( 0.000 -0.000 2.358) 2.358 2.670 ( 0.000 -0.000 -1.218) 1.218 3.050 ( -0.000 0.000 18.155) 18.155 3.382 ( -0.000 0.000 1.832) 1.832 3.418 ( 0.000 -0.000 -1.841) 1.841 3.489 ( -0.000 0.000 -25.292) 25.292 3.789 ( -0.000 0.000 1.480) 1.480 3.813 ( -0.000 0.000 -1.030) 1.030 4.031 ( -0.000 0.000 5.364) 5.364 4.158 ( -0.000 0.000 -7.764) 7.764 4.738 ( -0.000 0.000 4.029) 4.029 4.775 ( -0.000 0.000 -0.620) 0.620 4.923 ( -0.000 0.000 4.549) 4.549 5.020 ( -0.000 0.000 -4.623) 4.623 5.129 ( -0.000 0.000 2.243) 2.243 5.179 ( 0.000 -0.000 -1.887) 1.887 5.237 ( -0.000 0.000 0.547) 0.547 5.248 ( -0.000 0.000 -0.642) 0.642 5.562 ( -0.000 0.000 10.598) 10.598 5.645 ( -0.000 0.000 2.389) 2.389 5.890 ( -0.000 0.000 6.764) 6.764 6.055 ( 0.000 -0.000 -9.659) 9.659 =================== 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 3/25920 10.0 243.551 337.247 136.716 0.000 0.000 -0.000 3/25920 20.0 65.030 54.191 34.109 0.000 0.000 -0.000 3/25920 30.0 32.956 23.121 17.284 0.000 0.000 -0.000 3/25920 40.0 21.039 13.663 11.326 0.000 0.000 -0.000 3/25920 50.0 15.206 9.458 8.411 0.000 0.000 -0.000 3/25920 60.0 11.875 7.181 6.719 0.000 0.000 -0.000 3/25920 70.0 9.756 5.783 5.620 0.000 0.000 -0.000 3/25920 80.0 8.297 4.846 4.847 0.000 0.000 -0.000 3/25920 90.0 7.231 4.176 4.273 0.000 0.000 -0.000 3/25920 100.0 6.417 3.674 3.826 0.000 0.000 -0.000 3/25920 110.0 5.775 3.283 3.469 0.000 0.000 -0.000 3/25920 120.0 5.253 2.970 3.175 0.000 0.000 -0.000 3/25920 130.0 4.821 2.714 2.929 0.000 0.000 -0.000 3/25920 140.0 4.457 2.499 2.719 0.000 0.000 -0.000 3/25920 150.0 4.146 2.317 2.538 0.000 0.000 -0.000 3/25920 160.0 3.876 2.161 2.380 0.000 0.000 -0.000 3/25920 170.0 3.640 2.025 2.241 0.000 0.000 -0.000 3/25920 180.0 3.432 1.905 2.118 0.000 0.000 -0.000 3/25920 190.0 3.246 1.799 2.008 0.000 0.000 -0.000 3/25920 200.0 3.080 1.705 1.908 0.000 0.000 -0.000 3/25920 210.0 2.931 1.620 1.819 0.000 0.000 -0.000 3/25920 220.0 2.795 1.543 1.737 0.000 0.000 -0.000 3/25920 230.0 2.672 1.474 1.662 0.000 0.000 -0.000 3/25920 240.0 2.559 1.410 1.594 0.000 0.000 -0.000 3/25920 250.0 2.455 1.352 1.531 0.000 0.000 -0.000 3/25920 260.0 2.360 1.299 1.473 0.000 0.000 -0.000 3/25920 270.0 2.272 1.249 1.419 0.000 0.000 -0.000 3/25920 280.0 2.190 1.204 1.369 0.000 0.000 -0.000 3/25920 290.0 2.114 1.161 1.322 0.000 0.000 -0.000 3/25920 300.0 2.043 1.122 1.279 0.000 0.000 -0.000 3/25920 310.0 1.977 1.085 1.238 0.000 0.000 -0.000 3/25920 320.0 1.915 1.050 1.200 0.000 0.000 -0.000 3/25920 330.0 1.856 1.018 1.164 0.000 0.000 -0.000 3/25920 340.0 1.802 0.988 1.130 0.000 0.000 -0.000 3/25920 350.0 1.750 0.959 1.098 0.000 0.000 -0.000 3/25920 360.0 1.701 0.932 1.068 0.000 0.000 -0.000 3/25920 370.0 1.655 0.906 1.040 0.000 0.000 -0.000 3/25920 380.0 1.612 0.882 1.013 0.000 0.000 -0.000 3/25920 390.0 1.570 0.859 0.987 0.000 0.000 -0.000 3/25920 400.0 1.531 0.838 0.962 0.000 0.000 -0.000 3/25920 410.0 1.493 0.817 0.939 0.000 0.000 -0.000 3/25920 420.0 1.458 0.797 0.917 0.000 0.000 -0.000 3/25920 430.0 1.424 0.779 0.896 0.000 0.000 -0.000 3/25920 440.0 1.392 0.761 0.876 0.000 0.000 -0.000 3/25920 450.0 1.361 0.744 0.857 0.000 0.000 -0.000 3/25920 460.0 1.331 0.728 0.838 0.000 0.000 -0.000 3/25920 470.0 1.303 0.712 0.821 0.000 0.000 -0.000 3/25920 480.0 1.276 0.697 0.804 0.000 0.000 -0.000 3/25920 490.0 1.250 0.683 0.787 0.000 0.000 -0.000 3/25920 500.0 1.225 0.669 0.772 0.000 0.000 -0.000 3/25920 510.0 1.201 0.656 0.757 0.000 0.000 -0.000 3/25920 520.0 1.178 0.643 0.742 0.000 0.000 -0.000 3/25920 530.0 1.155 0.631 0.728 0.000 0.000 -0.000 3/25920 540.0 1.134 0.619 0.715 0.000 0.000 -0.000 3/25920 550.0 1.113 0.608 0.702 0.000 0.000 -0.000 3/25920 560.0 1.093 0.597 0.690 0.000 0.000 -0.000 3/25920 570.0 1.074 0.587 0.678 0.000 0.000 -0.000 3/25920 580.0 1.056 0.576 0.666 0.000 0.000 -0.000 3/25920 590.0 1.038 0.567 0.655 0.000 0.000 -0.000 3/25920 600.0 1.021 0.557 0.644 0.000 0.000 -0.000 3/25920 610.0 1.004 0.548 0.634 0.000 0.000 -0.000 3/25920 620.0 0.988 0.539 0.624 0.000 0.000 -0.000 3/25920 630.0 0.972 0.530 0.614 0.000 0.000 -0.000 3/25920 640.0 0.957 0.522 0.604 0.000 0.000 -0.000 3/25920 650.0 0.942 0.514 0.595 0.000 0.000 -0.000 3/25920 660.0 0.928 0.506 0.586 0.000 0.000 -0.000 3/25920 670.0 0.914 0.499 0.577 0.000 0.000 -0.000 3/25920 680.0 0.901 0.491 0.569 0.000 0.000 -0.000 3/25920 690.0 0.888 0.484 0.561 0.000 0.000 -0.000 3/25920 700.0 0.875 0.477 0.553 0.000 0.000 -0.000 3/25920 710.0 0.863 0.471 0.545 0.000 0.000 -0.000 3/25920 720.0 0.851 0.464 0.538 0.000 0.000 -0.000 3/25920 730.0 0.839 0.458 0.530 0.000 0.000 -0.000 3/25920 740.0 0.828 0.451 0.523 0.000 0.000 -0.000 3/25920 750.0 0.817 0.445 0.516 0.000 0.000 -0.000 3/25920 760.0 0.806 0.440 0.509 0.000 0.000 -0.000 3/25920 770.0 0.796 0.434 0.503 0.000 0.000 -0.000 3/25920 780.0 0.785 0.428 0.496 0.000 0.000 -0.000 3/25920 790.0 0.775 0.423 0.490 0.000 0.000 -0.000 3/25920 800.0 0.766 0.418 0.484 0.000 0.000 -0.000 3/25920 810.0 0.756 0.412 0.478 0.000 0.000 -0.000 3/25920 820.0 0.747 0.407 0.472 0.000 0.000 -0.000 3/25920 830.0 0.738 0.402 0.467 0.000 0.000 -0.000 3/25920 840.0 0.729 0.398 0.461 0.000 0.000 -0.000 3/25920 850.0 0.721 0.393 0.456 0.000 0.000 -0.000 3/25920 860.0 0.712 0.388 0.451 0.000 0.000 -0.000 3/25920 870.0 0.704 0.384 0.445 0.000 0.000 -0.000 3/25920 880.0 0.696 0.380 0.440 0.000 0.000 -0.000 3/25920 890.0 0.689 0.375 0.435 0.000 0.000 -0.000 3/25920 900.0 0.681 0.371 0.431 0.000 0.000 -0.000 3/25920 910.0 0.673 0.367 0.426 0.000 0.000 -0.000 3/25920 920.0 0.666 0.363 0.421 0.000 0.000 -0.000 3/25920 930.0 0.659 0.359 0.417 0.000 0.000 -0.000 3/25920 940.0 0.652 0.355 0.412 0.000 0.000 -0.000 3/25920 950.0 0.645 0.352 0.408 0.000 0.000 -0.000 3/25920 960.0 0.638 0.348 0.404 0.000 0.000 -0.000 3/25920 970.0 0.632 0.344 0.400 0.000 0.000 -0.000 3/25920 980.0 0.625 0.341 0.396 0.000 0.000 -0.000 3/25920 990.0 0.619 0.337 0.392 0.000 0.000 -0.000 3/25920 1000.0 0.613 0.334 0.388 0.000 0.000 -0.000 3/25920 Thermal conductivity related properties were written into "kappa-m12125.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:54:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|