----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:30:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.229574379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.501702750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.553284640000000 Atomic positions (fractional): *1 Cu 0.75000000000000 0.29688730000350 0.75000000000000 63.546 2 Cu 0.75000000000000 0.70311269999650 0.25000000000000 63.546 3 Cu 0.25000000000000 0.70311269999650 0.25000000000000 63.546 4 Cu 0.25000000000000 0.29688730000350 0.75000000000000 63.546 *5 Se 0.12692808753386 0.60186456210222 0.64908230018780 78.960 6 Se 0.62692808753386 0.39813543789778 0.14908230018780 78.960 7 Se 0.62692808753386 0.60186456210222 0.85091769981220 78.960 *8 Se 0.50000000000000 0.33453438891422 0.72487213848214 78.960 9 Se 0.00000000000000 0.66546561108578 0.22487213848214 78.960 10 Se 0.00000000000000 0.33453438891422 0.77512786151786 78.960 11 Se 0.37307191246614 0.39813543789778 0.14908230018780 78.960 12 Se 0.50000000000000 0.66546561108578 0.27512786151786 78.960 13 Se 0.87307191246614 0.39813543789778 0.35091769981220 78.960 14 Se 0.37307191246614 0.60186456210222 0.85091769981220 78.960 15 Se 0.87307191246614 0.60186456210222 0.64908230018780 78.960 16 Se 0.12692808753386 0.39813543789778 0.35091769981220 78.960 *17 Br 0.18513177022481 0.00000000000000 0.00000000000000 79.904 18 Br 0.31486822977519 0.00000000000000 0.50000000000000 79.904 19 Br 0.81486822977519 0.00000000000000 0.00000000000000 79.904 20 Br 0.68513177022481 0.00000000000000 0.50000000000000 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.229574379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.501702750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.553284640000000 Atomic positions (fractional): *1 Cu 0.75000000000000 0.29688730000350 0.75000000000000 63.546 > 1 2 Cu 0.75000000000000 0.70311269999650 0.25000000000000 63.546 > 2 3 Cu 0.25000000000000 0.70311269999650 0.25000000000000 63.546 > 3 4 Cu 0.25000000000000 0.29688730000350 0.75000000000000 63.546 > 4 *5 Se 0.12692808753386 0.60186456210222 0.64908230018780 78.960 > 5 6 Se 0.62692808753386 0.39813543789778 0.14908230018780 78.960 > 6 7 Se 0.62692808753386 0.60186456210222 0.85091769981220 78.960 > 7 *8 Se 0.50000000000000 0.33453438891422 0.72487213848214 78.960 > 8 9 Se 0.00000000000000 0.66546561108578 0.22487213848214 78.960 > 9 10 Se 0.00000000000000 0.33453438891422 0.77512786151786 78.960 > 10 11 Se 0.37307191246614 0.39813543789778 0.14908230018780 78.960 > 11 12 Se 0.50000000000000 0.66546561108578 0.27512786151786 78.960 > 12 13 Se 0.87307191246614 0.39813543789778 0.35091769981220 78.960 > 13 14 Se 0.37307191246614 0.60186456210222 0.85091769981220 78.960 > 14 15 Se 0.87307191246614 0.60186456210222 0.64908230018780 78.960 > 15 16 Se 0.12692808753386 0.39813543789778 0.35091769981220 78.960 > 16 *17 Br 0.18513177022481 0.00000000000000 0.00000000000000 79.904 > 17 18 Br 0.31486822977519 0.00000000000000 0.50000000000000 79.904 > 18 19 Br 0.81486822977519 0.00000000000000 0.00000000000000 79.904 > 19 20 Br 0.68513177022481 0.00000000000000 0.50000000000000 79.904 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.229574379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.505108249999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.106569280000000 Atomic positions (fractional): *1 Cu 0.75000000000000 0.09896243333450 0.37500000000000 63.546 > 1 2 Cu 0.75000000000000 0.43229576666783 0.37500000000000 63.546 > 1 3 Cu 0.75000000000000 0.76562910000117 0.37500000000000 63.546 > 1 4 Cu 0.75000000000000 0.09896243333450 0.87500000000000 63.546 > 1 5 Cu 0.75000000000000 0.43229576666783 0.87500000000000 63.546 > 1 6 Cu 0.75000000000000 0.76562910000117 0.87500000000000 63.546 > 1 7 Cu 0.75000000000000 0.23437089999883 0.12500000000000 63.546 > 2 8 Cu 0.75000000000000 0.56770423333217 0.12500000000000 63.546 > 2 9 Cu 0.75000000000000 0.90103756666550 0.12500000000000 63.546 > 2 10 Cu 0.75000000000000 0.23437089999883 0.62500000000000 63.546 > 2 11 Cu 0.75000000000000 0.56770423333217 0.62500000000000 63.546 > 2 12 Cu 0.75000000000000 0.90103756666550 0.62500000000000 63.546 > 2 13 Cu 0.25000000000000 0.23437089999883 0.12500000000000 63.546 > 3 14 Cu 0.25000000000000 0.56770423333217 0.12500000000000 63.546 > 3 15 Cu 0.25000000000000 0.90103756666550 0.12500000000000 63.546 > 3 16 Cu 0.25000000000000 0.23437089999883 0.62500000000000 63.546 > 3 17 Cu 0.25000000000000 0.56770423333217 0.62500000000000 63.546 > 3 18 Cu 0.25000000000000 0.90103756666550 0.62500000000000 63.546 > 3 19 Cu 0.25000000000000 0.09896243333450 0.37500000000000 63.546 > 4 20 Cu 0.25000000000000 0.43229576666783 0.37500000000000 63.546 > 4 21 Cu 0.25000000000000 0.76562910000117 0.37500000000000 63.546 > 4 22 Cu 0.25000000000000 0.09896243333450 0.87500000000000 63.546 > 4 23 Cu 0.25000000000000 0.43229576666783 0.87500000000000 63.546 > 4 24 Cu 0.25000000000000 0.76562910000117 0.87500000000000 63.546 > 4 *25 Se 0.12692808753386 0.20062152070074 0.32454115009390 78.960 > 5 26 Se 0.12692808753386 0.53395485403407 0.32454115009390 78.960 > 5 27 Se 0.12692808753386 0.86728818736741 0.32454115009390 78.960 > 5 28 Se 0.12692808753386 0.20062152070074 0.82454115009390 78.960 > 5 29 Se 0.12692808753386 0.53395485403407 0.82454115009390 78.960 > 5 30 Se 0.12692808753386 0.86728818736741 0.82454115009390 78.960 > 5 31 Se 0.62692808753386 0.13271181263259 0.07454115009390 78.960 > 6 32 Se 0.62692808753386 0.46604514596593 0.07454115009390 78.960 > 6 33 Se 0.62692808753386 0.79937847929926 0.07454115009390 78.960 > 6 34 Se 0.62692808753386 0.13271181263259 0.57454115009390 78.960 > 6 35 Se 0.62692808753386 0.46604514596593 0.57454115009390 78.960 > 6 36 Se 0.62692808753386 0.79937847929926 0.57454115009390 78.960 > 6 37 Se 0.62692808753386 0.20062152070074 0.42545884990610 78.960 > 7 38 Se 0.62692808753386 0.53395485403407 0.42545884990610 78.960 > 7 39 Se 0.62692808753386 0.86728818736741 0.42545884990610 78.960 > 7 40 Se 0.62692808753386 0.20062152070074 0.92545884990610 78.960 > 7 41 Se 0.62692808753386 0.53395485403407 0.92545884990610 78.960 > 7 42 Se 0.62692808753386 0.86728818736741 0.92545884990610 78.960 > 7 *43 Se 0.50000000000000 0.11151146297141 0.36243606924107 78.960 > 8 44 Se 0.50000000000000 0.44484479630474 0.36243606924107 78.960 > 8 45 Se 0.50000000000000 0.77817812963807 0.36243606924107 78.960 > 8 46 Se 0.50000000000000 0.11151146297141 0.86243606924107 78.960 > 8 47 Se 0.50000000000000 0.44484479630474 0.86243606924107 78.960 > 8 48 Se 0.50000000000000 0.77817812963807 0.86243606924107 78.960 > 8 49 Se 0.00000000000000 0.22182187036193 0.11243606924107 78.960 > 9 50 Se 0.00000000000000 0.55515520369526 0.11243606924107 78.960 > 9 51 Se 0.00000000000000 0.88848853702859 0.11243606924107 78.960 > 9 52 Se 0.00000000000000 0.22182187036193 0.61243606924107 78.960 > 9 53 Se 0.00000000000000 0.55515520369526 0.61243606924107 78.960 > 9 54 Se 0.00000000000000 0.88848853702859 0.61243606924107 78.960 > 9 55 Se 0.00000000000000 0.11151146297141 0.38756393075893 78.960 > 10 56 Se 0.00000000000000 0.44484479630474 0.38756393075893 78.960 > 10 57 Se 0.00000000000000 0.77817812963807 0.38756393075893 78.960 > 10 58 Se 0.00000000000000 0.11151146297141 0.88756393075893 78.960 > 10 59 Se 0.00000000000000 0.44484479630474 0.88756393075893 78.960 > 10 60 Se 0.00000000000000 0.77817812963807 0.88756393075893 78.960 > 10 61 Se 0.37307191246614 0.13271181263259 0.07454115009390 78.960 > 11 62 Se 0.37307191246614 0.46604514596593 0.07454115009390 78.960 > 11 63 Se 0.37307191246614 0.79937847929926 0.07454115009390 78.960 > 11 64 Se 0.37307191246614 0.13271181263259 0.57454115009390 78.960 > 11 65 Se 0.37307191246614 0.46604514596593 0.57454115009390 78.960 > 11 66 Se 0.37307191246614 0.79937847929926 0.57454115009390 78.960 > 11 67 Se 0.50000000000000 0.22182187036193 0.13756393075893 78.960 > 12 68 Se 0.50000000000000 0.55515520369526 0.13756393075893 78.960 > 12 69 Se 0.50000000000000 0.88848853702859 0.13756393075893 78.960 > 12 70 Se 0.50000000000000 0.22182187036193 0.63756393075893 78.960 > 12 71 Se 0.50000000000000 0.55515520369526 0.63756393075893 78.960 > 12 72 Se 0.50000000000000 0.88848853702859 0.63756393075893 78.960 > 12 73 Se 0.87307191246614 0.13271181263259 0.17545884990610 78.960 > 13 74 Se 0.87307191246614 0.46604514596593 0.17545884990610 78.960 > 13 75 Se 0.87307191246614 0.79937847929926 0.17545884990610 78.960 > 13 76 Se 0.87307191246614 0.13271181263259 0.67545884990610 78.960 > 13 77 Se 0.87307191246614 0.46604514596593 0.67545884990610 78.960 > 13 78 Se 0.87307191246614 0.79937847929926 0.67545884990610 78.960 > 13 79 Se 0.37307191246614 0.20062152070074 0.42545884990610 78.960 > 14 80 Se 0.37307191246614 0.53395485403407 0.42545884990610 78.960 > 14 81 Se 0.37307191246614 0.86728818736741 0.42545884990610 78.960 > 14 82 Se 0.37307191246614 0.20062152070074 0.92545884990610 78.960 > 14 83 Se 0.37307191246614 0.53395485403407 0.92545884990610 78.960 > 14 84 Se 0.37307191246614 0.86728818736741 0.92545884990610 78.960 > 14 85 Se 0.87307191246614 0.20062152070074 0.32454115009390 78.960 > 15 86 Se 0.87307191246614 0.53395485403407 0.32454115009390 78.960 > 15 87 Se 0.87307191246614 0.86728818736741 0.32454115009390 78.960 > 15 88 Se 0.87307191246614 0.20062152070074 0.82454115009390 78.960 > 15 89 Se 0.87307191246614 0.53395485403407 0.82454115009390 78.960 > 15 90 Se 0.87307191246614 0.86728818736741 0.82454115009390 78.960 > 15 91 Se 0.12692808753386 0.13271181263259 0.17545884990610 78.960 > 16 92 Se 0.12692808753386 0.46604514596593 0.17545884990610 78.960 > 16 93 Se 0.12692808753386 0.79937847929926 0.17545884990610 78.960 > 16 94 Se 0.12692808753386 0.13271181263259 0.67545884990610 78.960 > 16 95 Se 0.12692808753386 0.46604514596593 0.67545884990610 78.960 > 16 96 Se 0.12692808753386 0.79937847929926 0.67545884990610 78.960 > 16 *97 Br 0.18513177022481 0.00000000000000 0.00000000000000 79.904 > 17 98 Br 0.18513177022481 0.33333333333333 0.00000000000000 79.904 > 17 99 Br 0.18513177022481 0.66666666666667 0.00000000000000 79.904 > 17 100 Br 0.18513177022481 0.00000000000000 0.50000000000000 79.904 > 17 101 Br 0.18513177022481 0.33333333333333 0.50000000000000 79.904 > 17 102 Br 0.18513177022481 0.66666666666667 0.50000000000000 79.904 > 17 103 Br 0.31486822977519 0.00000000000000 0.25000000000000 79.904 > 18 104 Br 0.31486822977519 0.33333333333333 0.25000000000000 79.904 > 18 105 Br 0.31486822977519 0.66666666666667 0.25000000000000 79.904 > 18 106 Br 0.31486822977519 0.00000000000000 0.75000000000000 79.904 > 18 107 Br 0.31486822977519 0.33333333333333 0.75000000000000 79.904 > 18 108 Br 0.31486822977519 0.66666666666667 0.75000000000000 79.904 > 18 109 Br 0.81486822977519 0.00000000000000 0.00000000000000 79.904 > 19 110 Br 0.81486822977519 0.33333333333333 0.00000000000000 79.904 > 19 111 Br 0.81486822977519 0.66666666666667 0.00000000000000 79.904 > 19 112 Br 0.81486822977519 0.00000000000000 0.50000000000000 79.904 > 19 113 Br 0.81486822977519 0.33333333333333 0.50000000000000 79.904 > 19 114 Br 0.81486822977519 0.66666666666667 0.50000000000000 79.904 > 19 115 Br 0.68513177022481 0.00000000000000 0.25000000000000 79.904 > 20 116 Br 0.68513177022481 0.33333333333333 0.25000000000000 79.904 > 20 117 Br 0.68513177022481 0.66666666666667 0.25000000000000 79.904 > 20 118 Br 0.68513177022481 0.00000000000000 0.75000000000000 79.904 > 20 119 Br 0.68513177022481 0.33333333333333 0.75000000000000 79.904 > 20 120 Br 0.68513177022481 0.66666666666667 0.75000000000000 79.904 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.8291674 0.0000000 0.0000000 0.0000000 6.5572349 0.0000000 0.0000000 0.0000000 10.0941324 -------------------------- Born effective charges -------------------------- 1 Cu 0.2403041 0.0000000 0.3383724 0.0000000 0.5949420 0.0000000 0.5097285 0.0000000 1.1846845 2 Cu 0.2403041 0.0000000 -0.3383724 0.0000000 0.5949420 0.0000000 -0.5097285 0.0000000 1.1846845 3 Cu 0.2403041 0.0000000 0.3383724 0.0000000 0.5949420 0.0000000 0.5097285 0.0000000 1.1846845 4 Cu 0.2403041 0.0000000 -0.3383724 0.0000000 0.5949420 0.0000000 -0.5097285 0.0000000 1.1846845 5 Se 0.4984932 0.1594396 -0.1348856 0.4024967 0.3949999 0.1512502 0.0766810 0.0928168 0.7145735 6 Se 0.4984932 -0.1594396 -0.1348856 -0.4024967 0.3949999 -0.1512502 0.0766810 -0.0928168 0.7145735 7 Se 0.4984932 0.1594396 0.1348856 0.4024967 0.3949999 -0.1512502 -0.0766810 -0.0928168 0.7145735 8 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 0.0839168 0.0000000 -0.0612792 0.0275239 9 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 -0.0839168 0.0000000 0.0612792 0.0275239 10 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 -0.0839168 0.0000000 0.0612792 0.0275239 11 Se 0.4984932 0.1594396 0.1348856 0.4024967 0.3949999 -0.1512502 -0.0766810 -0.0928168 0.7145735 12 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 0.0839168 0.0000000 -0.0612792 0.0275239 13 Se 0.4984932 0.1594396 -0.1348856 0.4024967 0.3949999 0.1512502 0.0766810 0.0928168 0.7145735 14 Se 0.4984932 -0.1594396 -0.1348856 -0.4024967 0.3949999 -0.1512502 0.0766810 -0.0928168 0.7145735 15 Se 0.4984932 -0.1594396 0.1348856 -0.4024967 0.3949999 0.1512502 -0.0766810 0.0928168 0.7145735 16 Se 0.4984932 -0.1594396 0.1348856 -0.4024967 0.3949999 0.1512502 -0.0766810 0.0928168 0.7145735 17 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 -0.1053924 0.0000000 -0.0921257 -2.6413554 18 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 0.1053924 0.0000000 0.0921257 -2.6413554 19 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 -0.1053924 0.0000000 -0.0921257 -2.6413554 20 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 0.1053924 0.0000000 0.0921257 -2.6413554 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1435 Number of blocks in projector: 1435 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: 308 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 185 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 185 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 185 Use standard eigh solver. Tree of FC basis block matrices: - (1435, 1411), data: False |-- (185, 181), data: True |-- (185, 181), data: True |-- (185, 181), data: True |-- (280, 278), data: True |-- (292, 288), data: True |-- (308, 302), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 320 - Time: 2.138 Solver_block: 200 / 320 - Time: 2.131 Solver_block: 300 / 320 - Time: 2.089 Solver_block: 320 / 320 - Time: 0.545 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.151 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1435 Number of blocks in projector: 1435 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: 308 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 280 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 185 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 185 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 185 Use standard eigh solver. Tree of FC basis block matrices: - (1435, 1411), data: False |-- (185, 181), data: True |-- (185, 181), data: True |-- (185, 181), data: True |-- (280, 278), data: True |-- (292, 288), data: True |-- (308, 302), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:31:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:31:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.229574379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.501702750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.553284640000000 Atomic positions (fractional): 1 Cu 0.75000000000000 0.29688730000350 0.75000000000000 63.546 2 Cu 0.75000000000000 0.70311269999650 0.25000000000000 63.546 3 Cu 0.25000000000000 0.70311269999650 0.25000000000000 63.546 4 Cu 0.25000000000000 0.29688730000350 0.75000000000000 63.546 5 Se 0.12692808753386 0.60186456210222 0.64908230018780 78.960 6 Se 0.62692808753386 0.39813543789778 0.14908230018780 78.960 7 Se 0.62692808753386 0.60186456210222 0.85091769981220 78.960 8 Se 0.50000000000000 0.33453438891422 0.72487213848214 78.960 9 Se 0.00000000000000 0.66546561108578 0.22487213848214 78.960 10 Se 0.00000000000000 0.33453438891422 0.77512786151786 78.960 11 Se 0.37307191246614 0.39813543789778 0.14908230018780 78.960 12 Se 0.50000000000000 0.66546561108578 0.27512786151786 78.960 13 Se 0.87307191246614 0.39813543789778 0.35091769981220 78.960 14 Se 0.37307191246614 0.60186456210222 0.85091769981220 78.960 15 Se 0.87307191246614 0.60186456210222 0.64908230018780 78.960 16 Se 0.12692808753386 0.39813543789778 0.35091769981220 78.960 17 Br 0.18513177022481 0.00000000000000 0.00000000000000 79.904 18 Br 0.31486822977519 0.00000000000000 0.50000000000000 79.904 19 Br 0.81486822977519 0.00000000000000 0.00000000000000 79.904 20 Br 0.68513177022481 0.00000000000000 0.50000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.229574379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.505108249999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.106569280000000 Atomic positions (fractional): 1 Cu 0.75000000000000 0.09896243333450 0.37500000000000 63.546 > 1 2 Cu 0.75000000000000 0.43229576666783 0.37500000000000 63.546 > 1 3 Cu 0.75000000000000 0.76562910000117 0.37500000000000 63.546 > 1 4 Cu 0.75000000000000 0.09896243333450 0.87500000000000 63.546 > 1 5 Cu 0.75000000000000 0.43229576666783 0.87500000000000 63.546 > 1 6 Cu 0.75000000000000 0.76562910000117 0.87500000000000 63.546 > 1 7 Cu 0.75000000000000 0.23437089999883 0.12500000000000 63.546 > 7 8 Cu 0.75000000000000 0.56770423333217 0.12500000000000 63.546 > 7 9 Cu 0.75000000000000 0.90103756666550 0.12500000000000 63.546 > 7 10 Cu 0.75000000000000 0.23437089999883 0.62500000000000 63.546 > 7 11 Cu 0.75000000000000 0.56770423333217 0.62500000000000 63.546 > 7 12 Cu 0.75000000000000 0.90103756666550 0.62500000000000 63.546 > 7 13 Cu 0.25000000000000 0.23437089999883 0.12500000000000 63.546 > 13 14 Cu 0.25000000000000 0.56770423333217 0.12500000000000 63.546 > 13 15 Cu 0.25000000000000 0.90103756666550 0.12500000000000 63.546 > 13 16 Cu 0.25000000000000 0.23437089999883 0.62500000000000 63.546 > 13 17 Cu 0.25000000000000 0.56770423333217 0.62500000000000 63.546 > 13 18 Cu 0.25000000000000 0.90103756666550 0.62500000000000 63.546 > 13 19 Cu 0.25000000000000 0.09896243333450 0.37500000000000 63.546 > 19 20 Cu 0.25000000000000 0.43229576666783 0.37500000000000 63.546 > 19 21 Cu 0.25000000000000 0.76562910000117 0.37500000000000 63.546 > 19 22 Cu 0.25000000000000 0.09896243333450 0.87500000000000 63.546 > 19 23 Cu 0.25000000000000 0.43229576666783 0.87500000000000 63.546 > 19 24 Cu 0.25000000000000 0.76562910000117 0.87500000000000 63.546 > 19 25 Se 0.12692808753386 0.20062152070074 0.32454115009390 78.960 > 25 26 Se 0.12692808753386 0.53395485403407 0.32454115009390 78.960 > 25 27 Se 0.12692808753386 0.86728818736741 0.32454115009390 78.960 > 25 28 Se 0.12692808753386 0.20062152070074 0.82454115009390 78.960 > 25 29 Se 0.12692808753386 0.53395485403407 0.82454115009390 78.960 > 25 30 Se 0.12692808753386 0.86728818736741 0.82454115009390 78.960 > 25 31 Se 0.62692808753386 0.13271181263259 0.07454115009390 78.960 > 31 32 Se 0.62692808753386 0.46604514596593 0.07454115009390 78.960 > 31 33 Se 0.62692808753386 0.79937847929926 0.07454115009390 78.960 > 31 34 Se 0.62692808753386 0.13271181263259 0.57454115009390 78.960 > 31 35 Se 0.62692808753386 0.46604514596593 0.57454115009390 78.960 > 31 36 Se 0.62692808753386 0.79937847929926 0.57454115009390 78.960 > 31 37 Se 0.62692808753386 0.20062152070074 0.42545884990610 78.960 > 37 38 Se 0.62692808753386 0.53395485403407 0.42545884990610 78.960 > 37 39 Se 0.62692808753386 0.86728818736741 0.42545884990610 78.960 > 37 40 Se 0.62692808753386 0.20062152070074 0.92545884990610 78.960 > 37 41 Se 0.62692808753386 0.53395485403407 0.92545884990610 78.960 > 37 42 Se 0.62692808753386 0.86728818736741 0.92545884990610 78.960 > 37 43 Se 0.50000000000000 0.11151146297141 0.36243606924107 78.960 > 43 44 Se 0.50000000000000 0.44484479630474 0.36243606924107 78.960 > 43 45 Se 0.50000000000000 0.77817812963807 0.36243606924107 78.960 > 43 46 Se 0.50000000000000 0.11151146297141 0.86243606924107 78.960 > 43 47 Se 0.50000000000000 0.44484479630474 0.86243606924107 78.960 > 43 48 Se 0.50000000000000 0.77817812963807 0.86243606924107 78.960 > 43 49 Se 0.00000000000000 0.22182187036193 0.11243606924107 78.960 > 49 50 Se 0.00000000000000 0.55515520369526 0.11243606924107 78.960 > 49 51 Se 0.00000000000000 0.88848853702859 0.11243606924107 78.960 > 49 52 Se 0.00000000000000 0.22182187036193 0.61243606924107 78.960 > 49 53 Se 0.00000000000000 0.55515520369526 0.61243606924107 78.960 > 49 54 Se 0.00000000000000 0.88848853702859 0.61243606924107 78.960 > 49 55 Se 0.00000000000000 0.11151146297141 0.38756393075893 78.960 > 55 56 Se 0.00000000000000 0.44484479630474 0.38756393075893 78.960 > 55 57 Se 0.00000000000000 0.77817812963807 0.38756393075893 78.960 > 55 58 Se 0.00000000000000 0.11151146297141 0.88756393075893 78.960 > 55 59 Se 0.00000000000000 0.44484479630474 0.88756393075893 78.960 > 55 60 Se 0.00000000000000 0.77817812963807 0.88756393075893 78.960 > 55 61 Se 0.37307191246614 0.13271181263259 0.07454115009390 78.960 > 61 62 Se 0.37307191246614 0.46604514596593 0.07454115009390 78.960 > 61 63 Se 0.37307191246614 0.79937847929926 0.07454115009390 78.960 > 61 64 Se 0.37307191246614 0.13271181263259 0.57454115009390 78.960 > 61 65 Se 0.37307191246614 0.46604514596593 0.57454115009390 78.960 > 61 66 Se 0.37307191246614 0.79937847929926 0.57454115009390 78.960 > 61 67 Se 0.50000000000000 0.22182187036193 0.13756393075893 78.960 > 67 68 Se 0.50000000000000 0.55515520369526 0.13756393075893 78.960 > 67 69 Se 0.50000000000000 0.88848853702859 0.13756393075893 78.960 > 67 70 Se 0.50000000000000 0.22182187036193 0.63756393075893 78.960 > 67 71 Se 0.50000000000000 0.55515520369526 0.63756393075893 78.960 > 67 72 Se 0.50000000000000 0.88848853702859 0.63756393075893 78.960 > 67 73 Se 0.87307191246614 0.13271181263259 0.17545884990610 78.960 > 73 74 Se 0.87307191246614 0.46604514596593 0.17545884990610 78.960 > 73 75 Se 0.87307191246614 0.79937847929926 0.17545884990610 78.960 > 73 76 Se 0.87307191246614 0.13271181263259 0.67545884990610 78.960 > 73 77 Se 0.87307191246614 0.46604514596593 0.67545884990610 78.960 > 73 78 Se 0.87307191246614 0.79937847929926 0.67545884990610 78.960 > 73 79 Se 0.37307191246614 0.20062152070074 0.42545884990610 78.960 > 79 80 Se 0.37307191246614 0.53395485403407 0.42545884990610 78.960 > 79 81 Se 0.37307191246614 0.86728818736741 0.42545884990610 78.960 > 79 82 Se 0.37307191246614 0.20062152070074 0.92545884990610 78.960 > 79 83 Se 0.37307191246614 0.53395485403407 0.92545884990610 78.960 > 79 84 Se 0.37307191246614 0.86728818736741 0.92545884990610 78.960 > 79 85 Se 0.87307191246614 0.20062152070074 0.32454115009390 78.960 > 85 86 Se 0.87307191246614 0.53395485403407 0.32454115009390 78.960 > 85 87 Se 0.87307191246614 0.86728818736741 0.32454115009390 78.960 > 85 88 Se 0.87307191246614 0.20062152070074 0.82454115009390 78.960 > 85 89 Se 0.87307191246614 0.53395485403407 0.82454115009390 78.960 > 85 90 Se 0.87307191246614 0.86728818736741 0.82454115009390 78.960 > 85 91 Se 0.12692808753386 0.13271181263259 0.17545884990610 78.960 > 91 92 Se 0.12692808753386 0.46604514596593 0.17545884990610 78.960 > 91 93 Se 0.12692808753386 0.79937847929926 0.17545884990610 78.960 > 91 94 Se 0.12692808753386 0.13271181263259 0.67545884990610 78.960 > 91 95 Se 0.12692808753386 0.46604514596593 0.67545884990610 78.960 > 91 96 Se 0.12692808753386 0.79937847929926 0.67545884990610 78.960 > 91 97 Br 0.18513177022481 0.00000000000000 0.00000000000000 79.904 > 97 98 Br 0.18513177022481 0.33333333333333 0.00000000000000 79.904 > 97 99 Br 0.18513177022481 0.66666666666667 0.00000000000000 79.904 > 97 100 Br 0.18513177022481 0.00000000000000 0.50000000000000 79.904 > 97 101 Br 0.18513177022481 0.33333333333333 0.50000000000000 79.904 > 97 102 Br 0.18513177022481 0.66666666666667 0.50000000000000 79.904 > 97 103 Br 0.31486822977519 0.00000000000000 0.25000000000000 79.904 > 103 104 Br 0.31486822977519 0.33333333333333 0.25000000000000 79.904 > 103 105 Br 0.31486822977519 0.66666666666667 0.25000000000000 79.904 > 103 106 Br 0.31486822977519 0.00000000000000 0.75000000000000 79.904 > 103 107 Br 0.31486822977519 0.33333333333333 0.75000000000000 79.904 > 103 108 Br 0.31486822977519 0.66666666666667 0.75000000000000 79.904 > 103 109 Br 0.81486822977519 0.00000000000000 0.00000000000000 79.904 > 109 110 Br 0.81486822977519 0.33333333333333 0.00000000000000 79.904 > 109 111 Br 0.81486822977519 0.66666666666667 0.00000000000000 79.904 > 109 112 Br 0.81486822977519 0.00000000000000 0.50000000000000 79.904 > 109 113 Br 0.81486822977519 0.33333333333333 0.50000000000000 79.904 > 109 114 Br 0.81486822977519 0.66666666666667 0.50000000000000 79.904 > 109 115 Br 0.68513177022481 0.00000000000000 0.25000000000000 79.904 > 115 116 Br 0.68513177022481 0.33333333333333 0.25000000000000 79.904 > 115 117 Br 0.68513177022481 0.66666666666667 0.25000000000000 79.904 > 115 118 Br 0.68513177022481 0.00000000000000 0.75000000000000 79.904 > 115 119 Br 0.68513177022481 0.33333333333333 0.75000000000000 79.904 > 115 120 Br 0.68513177022481 0.66666666666667 0.75000000000000 79.904 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.8291674 0.0000000 0.0000000 0.0000000 6.5572349 0.0000000 0.0000000 0.0000000 10.0941324 -------------------------- Born effective charges -------------------------- 1 Cu 0.2403041 0.0000000 0.3383724 0.0000000 0.5949420 0.0000000 0.5097285 0.0000000 1.1846845 2 Cu 0.2403041 0.0000000 -0.3383724 0.0000000 0.5949420 0.0000000 -0.5097285 0.0000000 1.1846845 3 Cu 0.2403041 0.0000000 0.3383724 0.0000000 0.5949420 0.0000000 0.5097285 0.0000000 1.1846845 4 Cu 0.2403041 0.0000000 -0.3383724 0.0000000 0.5949420 0.0000000 -0.5097285 0.0000000 1.1846845 5 Se 0.4984932 0.1594396 -0.1348856 0.4024967 0.3949999 0.1512502 0.0766810 0.0928168 0.7145735 6 Se 0.4984932 -0.1594396 -0.1348856 -0.4024967 0.3949999 -0.1512502 0.0766810 -0.0928168 0.7145735 7 Se 0.4984932 0.1594396 0.1348856 0.4024967 0.3949999 -0.1512502 -0.0766810 -0.0928168 0.7145735 8 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 0.0839168 0.0000000 -0.0612792 0.0275239 9 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 -0.0839168 0.0000000 0.0612792 0.0275239 10 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 -0.0839168 0.0000000 0.0612792 0.0275239 11 Se 0.4984932 0.1594396 0.1348856 0.4024967 0.3949999 -0.1512502 -0.0766810 -0.0928168 0.7145735 12 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 0.0839168 0.0000000 -0.0612792 0.0275239 13 Se 0.4984932 0.1594396 -0.1348856 0.4024967 0.3949999 0.1512502 0.0766810 0.0928168 0.7145735 14 Se 0.4984932 -0.1594396 -0.1348856 -0.4024967 0.3949999 -0.1512502 0.0766810 -0.0928168 0.7145735 15 Se 0.4984932 -0.1594396 0.1348856 -0.4024967 0.3949999 0.1512502 -0.0766810 0.0928168 0.7145735 16 Se 0.4984932 -0.1594396 0.1348856 -0.4024967 0.3949999 0.1512502 -0.0766810 0.0928168 0.7145735 17 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 -0.1053924 0.0000000 -0.0921257 -2.6413554 18 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 0.1053924 0.0000000 0.0921257 -2.6413554 19 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 -0.1053924 0.0000000 -0.0921257 -2.6413554 20 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 0.1053924 0.0000000 0.0921257 -2.6413554 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 43, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:31:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:31:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmna (53) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 14.229574379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.501702750000000 0.000000000000000 c 0.000000000000000 0.000000000000000 7.553284640000000 Atomic positions (fractional): 1 Cu 0.75000000000000 0.29688730000350 0.75000000000000 63.546 2 Cu 0.75000000000000 0.70311269999650 0.25000000000000 63.546 3 Cu 0.25000000000000 0.70311269999650 0.25000000000000 63.546 4 Cu 0.25000000000000 0.29688730000350 0.75000000000000 63.546 5 Se 0.12692808753386 0.60186456210222 0.64908230018780 78.960 6 Se 0.62692808753386 0.39813543789778 0.14908230018780 78.960 7 Se 0.62692808753386 0.60186456210222 0.85091769981220 78.960 8 Se 0.50000000000000 0.33453438891422 0.72487213848214 78.960 9 Se 0.00000000000000 0.66546561108578 0.22487213848214 78.960 10 Se 0.00000000000000 0.33453438891422 0.77512786151786 78.960 11 Se 0.37307191246614 0.39813543789778 0.14908230018780 78.960 12 Se 0.50000000000000 0.66546561108578 0.27512786151786 78.960 13 Se 0.87307191246614 0.39813543789778 0.35091769981220 78.960 14 Se 0.37307191246614 0.60186456210222 0.85091769981220 78.960 15 Se 0.87307191246614 0.60186456210222 0.64908230018780 78.960 16 Se 0.12692808753386 0.39813543789778 0.35091769981220 78.960 17 Br 0.18513177022481 0.00000000000000 0.00000000000000 79.904 18 Br 0.31486822977519 0.00000000000000 0.50000000000000 79.904 19 Br 0.81486822977519 0.00000000000000 0.00000000000000 79.904 20 Br 0.68513177022481 0.00000000000000 0.50000000000000 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.229574379999999 0.000000000000000 0.000000000000000 b 0.000000000000000 13.505108249999999 0.000000000000000 c 0.000000000000000 0.000000000000000 15.106569280000000 Atomic positions (fractional): 1 Cu 0.75000000000000 0.09896243333450 0.37500000000000 63.546 > 1 2 Cu 0.75000000000000 0.43229576666783 0.37500000000000 63.546 > 1 3 Cu 0.75000000000000 0.76562910000117 0.37500000000000 63.546 > 1 4 Cu 0.75000000000000 0.09896243333450 0.87500000000000 63.546 > 1 5 Cu 0.75000000000000 0.43229576666783 0.87500000000000 63.546 > 1 6 Cu 0.75000000000000 0.76562910000117 0.87500000000000 63.546 > 1 7 Cu 0.75000000000000 0.23437089999883 0.12500000000000 63.546 > 7 8 Cu 0.75000000000000 0.56770423333217 0.12500000000000 63.546 > 7 9 Cu 0.75000000000000 0.90103756666550 0.12500000000000 63.546 > 7 10 Cu 0.75000000000000 0.23437089999883 0.62500000000000 63.546 > 7 11 Cu 0.75000000000000 0.56770423333217 0.62500000000000 63.546 > 7 12 Cu 0.75000000000000 0.90103756666550 0.62500000000000 63.546 > 7 13 Cu 0.25000000000000 0.23437089999883 0.12500000000000 63.546 > 13 14 Cu 0.25000000000000 0.56770423333217 0.12500000000000 63.546 > 13 15 Cu 0.25000000000000 0.90103756666550 0.12500000000000 63.546 > 13 16 Cu 0.25000000000000 0.23437089999883 0.62500000000000 63.546 > 13 17 Cu 0.25000000000000 0.56770423333217 0.62500000000000 63.546 > 13 18 Cu 0.25000000000000 0.90103756666550 0.62500000000000 63.546 > 13 19 Cu 0.25000000000000 0.09896243333450 0.37500000000000 63.546 > 19 20 Cu 0.25000000000000 0.43229576666783 0.37500000000000 63.546 > 19 21 Cu 0.25000000000000 0.76562910000117 0.37500000000000 63.546 > 19 22 Cu 0.25000000000000 0.09896243333450 0.87500000000000 63.546 > 19 23 Cu 0.25000000000000 0.43229576666783 0.87500000000000 63.546 > 19 24 Cu 0.25000000000000 0.76562910000117 0.87500000000000 63.546 > 19 25 Se 0.12692808753386 0.20062152070074 0.32454115009390 78.960 > 25 26 Se 0.12692808753386 0.53395485403407 0.32454115009390 78.960 > 25 27 Se 0.12692808753386 0.86728818736741 0.32454115009390 78.960 > 25 28 Se 0.12692808753386 0.20062152070074 0.82454115009390 78.960 > 25 29 Se 0.12692808753386 0.53395485403407 0.82454115009390 78.960 > 25 30 Se 0.12692808753386 0.86728818736741 0.82454115009390 78.960 > 25 31 Se 0.62692808753386 0.13271181263259 0.07454115009390 78.960 > 31 32 Se 0.62692808753386 0.46604514596593 0.07454115009390 78.960 > 31 33 Se 0.62692808753386 0.79937847929926 0.07454115009390 78.960 > 31 34 Se 0.62692808753386 0.13271181263259 0.57454115009390 78.960 > 31 35 Se 0.62692808753386 0.46604514596593 0.57454115009390 78.960 > 31 36 Se 0.62692808753386 0.79937847929926 0.57454115009390 78.960 > 31 37 Se 0.62692808753386 0.20062152070074 0.42545884990610 78.960 > 37 38 Se 0.62692808753386 0.53395485403407 0.42545884990610 78.960 > 37 39 Se 0.62692808753386 0.86728818736741 0.42545884990610 78.960 > 37 40 Se 0.62692808753386 0.20062152070074 0.92545884990610 78.960 > 37 41 Se 0.62692808753386 0.53395485403407 0.92545884990610 78.960 > 37 42 Se 0.62692808753386 0.86728818736741 0.92545884990610 78.960 > 37 43 Se 0.50000000000000 0.11151146297141 0.36243606924107 78.960 > 43 44 Se 0.50000000000000 0.44484479630474 0.36243606924107 78.960 > 43 45 Se 0.50000000000000 0.77817812963807 0.36243606924107 78.960 > 43 46 Se 0.50000000000000 0.11151146297141 0.86243606924107 78.960 > 43 47 Se 0.50000000000000 0.44484479630474 0.86243606924107 78.960 > 43 48 Se 0.50000000000000 0.77817812963807 0.86243606924107 78.960 > 43 49 Se 0.00000000000000 0.22182187036193 0.11243606924107 78.960 > 49 50 Se 0.00000000000000 0.55515520369526 0.11243606924107 78.960 > 49 51 Se 0.00000000000000 0.88848853702859 0.11243606924107 78.960 > 49 52 Se 0.00000000000000 0.22182187036193 0.61243606924107 78.960 > 49 53 Se 0.00000000000000 0.55515520369526 0.61243606924107 78.960 > 49 54 Se 0.00000000000000 0.88848853702859 0.61243606924107 78.960 > 49 55 Se 0.00000000000000 0.11151146297141 0.38756393075893 78.960 > 55 56 Se 0.00000000000000 0.44484479630474 0.38756393075893 78.960 > 55 57 Se 0.00000000000000 0.77817812963807 0.38756393075893 78.960 > 55 58 Se 0.00000000000000 0.11151146297141 0.88756393075893 78.960 > 55 59 Se 0.00000000000000 0.44484479630474 0.88756393075893 78.960 > 55 60 Se 0.00000000000000 0.77817812963807 0.88756393075893 78.960 > 55 61 Se 0.37307191246614 0.13271181263259 0.07454115009390 78.960 > 61 62 Se 0.37307191246614 0.46604514596593 0.07454115009390 78.960 > 61 63 Se 0.37307191246614 0.79937847929926 0.07454115009390 78.960 > 61 64 Se 0.37307191246614 0.13271181263259 0.57454115009390 78.960 > 61 65 Se 0.37307191246614 0.46604514596593 0.57454115009390 78.960 > 61 66 Se 0.37307191246614 0.79937847929926 0.57454115009390 78.960 > 61 67 Se 0.50000000000000 0.22182187036193 0.13756393075893 78.960 > 67 68 Se 0.50000000000000 0.55515520369526 0.13756393075893 78.960 > 67 69 Se 0.50000000000000 0.88848853702859 0.13756393075893 78.960 > 67 70 Se 0.50000000000000 0.22182187036193 0.63756393075893 78.960 > 67 71 Se 0.50000000000000 0.55515520369526 0.63756393075893 78.960 > 67 72 Se 0.50000000000000 0.88848853702859 0.63756393075893 78.960 > 67 73 Se 0.87307191246614 0.13271181263259 0.17545884990610 78.960 > 73 74 Se 0.87307191246614 0.46604514596593 0.17545884990610 78.960 > 73 75 Se 0.87307191246614 0.79937847929926 0.17545884990610 78.960 > 73 76 Se 0.87307191246614 0.13271181263259 0.67545884990610 78.960 > 73 77 Se 0.87307191246614 0.46604514596593 0.67545884990610 78.960 > 73 78 Se 0.87307191246614 0.79937847929926 0.67545884990610 78.960 > 73 79 Se 0.37307191246614 0.20062152070074 0.42545884990610 78.960 > 79 80 Se 0.37307191246614 0.53395485403407 0.42545884990610 78.960 > 79 81 Se 0.37307191246614 0.86728818736741 0.42545884990610 78.960 > 79 82 Se 0.37307191246614 0.20062152070074 0.92545884990610 78.960 > 79 83 Se 0.37307191246614 0.53395485403407 0.92545884990610 78.960 > 79 84 Se 0.37307191246614 0.86728818736741 0.92545884990610 78.960 > 79 85 Se 0.87307191246614 0.20062152070074 0.32454115009390 78.960 > 85 86 Se 0.87307191246614 0.53395485403407 0.32454115009390 78.960 > 85 87 Se 0.87307191246614 0.86728818736741 0.32454115009390 78.960 > 85 88 Se 0.87307191246614 0.20062152070074 0.82454115009390 78.960 > 85 89 Se 0.87307191246614 0.53395485403407 0.82454115009390 78.960 > 85 90 Se 0.87307191246614 0.86728818736741 0.82454115009390 78.960 > 85 91 Se 0.12692808753386 0.13271181263259 0.17545884990610 78.960 > 91 92 Se 0.12692808753386 0.46604514596593 0.17545884990610 78.960 > 91 93 Se 0.12692808753386 0.79937847929926 0.17545884990610 78.960 > 91 94 Se 0.12692808753386 0.13271181263259 0.67545884990610 78.960 > 91 95 Se 0.12692808753386 0.46604514596593 0.67545884990610 78.960 > 91 96 Se 0.12692808753386 0.79937847929926 0.67545884990610 78.960 > 91 97 Br 0.18513177022481 0.00000000000000 0.00000000000000 79.904 > 97 98 Br 0.18513177022481 0.33333333333333 0.00000000000000 79.904 > 97 99 Br 0.18513177022481 0.66666666666667 0.00000000000000 79.904 > 97 100 Br 0.18513177022481 0.00000000000000 0.50000000000000 79.904 > 97 101 Br 0.18513177022481 0.33333333333333 0.50000000000000 79.904 > 97 102 Br 0.18513177022481 0.66666666666667 0.50000000000000 79.904 > 97 103 Br 0.31486822977519 0.00000000000000 0.25000000000000 79.904 > 103 104 Br 0.31486822977519 0.33333333333333 0.25000000000000 79.904 > 103 105 Br 0.31486822977519 0.66666666666667 0.25000000000000 79.904 > 103 106 Br 0.31486822977519 0.00000000000000 0.75000000000000 79.904 > 103 107 Br 0.31486822977519 0.33333333333333 0.75000000000000 79.904 > 103 108 Br 0.31486822977519 0.66666666666667 0.75000000000000 79.904 > 103 109 Br 0.81486822977519 0.00000000000000 0.00000000000000 79.904 > 109 110 Br 0.81486822977519 0.33333333333333 0.00000000000000 79.904 > 109 111 Br 0.81486822977519 0.66666666666667 0.00000000000000 79.904 > 109 112 Br 0.81486822977519 0.00000000000000 0.50000000000000 79.904 > 109 113 Br 0.81486822977519 0.33333333333333 0.50000000000000 79.904 > 109 114 Br 0.81486822977519 0.66666666666667 0.50000000000000 79.904 > 109 115 Br 0.68513177022481 0.00000000000000 0.25000000000000 79.904 > 115 116 Br 0.68513177022481 0.33333333333333 0.25000000000000 79.904 > 115 117 Br 0.68513177022481 0.66666666666667 0.25000000000000 79.904 > 115 118 Br 0.68513177022481 0.00000000000000 0.75000000000000 79.904 > 115 119 Br 0.68513177022481 0.33333333333333 0.75000000000000 79.904 > 115 120 Br 0.68513177022481 0.66666666666667 0.75000000000000 79.904 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.8291674 0.0000000 0.0000000 0.0000000 6.5572349 0.0000000 0.0000000 0.0000000 10.0941324 -------------------------- Born effective charges -------------------------- 1 Cu 0.2403041 0.0000000 0.3383724 0.0000000 0.5949420 0.0000000 0.5097285 0.0000000 1.1846845 2 Cu 0.2403041 0.0000000 -0.3383724 0.0000000 0.5949420 0.0000000 -0.5097285 0.0000000 1.1846845 3 Cu 0.2403041 0.0000000 0.3383724 0.0000000 0.5949420 0.0000000 0.5097285 0.0000000 1.1846845 4 Cu 0.2403041 0.0000000 -0.3383724 0.0000000 0.5949420 0.0000000 -0.5097285 0.0000000 1.1846845 5 Se 0.4984932 0.1594396 -0.1348856 0.4024967 0.3949999 0.1512502 0.0766810 0.0928168 0.7145735 6 Se 0.4984932 -0.1594396 -0.1348856 -0.4024967 0.3949999 -0.1512502 0.0766810 -0.0928168 0.7145735 7 Se 0.4984932 0.1594396 0.1348856 0.4024967 0.3949999 -0.1512502 -0.0766810 -0.0928168 0.7145735 8 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 0.0839168 0.0000000 -0.0612792 0.0275239 9 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 -0.0839168 0.0000000 0.0612792 0.0275239 10 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 -0.0839168 0.0000000 0.0612792 0.0275239 11 Se 0.4984932 0.1594396 0.1348856 0.4024967 0.3949999 -0.1512502 -0.0766810 -0.0928168 0.7145735 12 Se 0.3868814 0.0000000 0.0000000 0.0000000 0.0497068 0.0839168 0.0000000 -0.0612792 0.0275239 13 Se 0.4984932 0.1594396 -0.1348856 0.4024967 0.3949999 0.1512502 0.0766810 0.0928168 0.7145735 14 Se 0.4984932 -0.1594396 -0.1348856 -0.4024967 0.3949999 -0.1512502 0.0766810 -0.0928168 0.7145735 15 Se 0.4984932 -0.1594396 0.1348856 -0.4024967 0.3949999 0.1512502 -0.0766810 0.0928168 0.7145735 16 Se 0.4984932 -0.1594396 0.1348856 -0.4024967 0.3949999 0.1512502 -0.0766810 0.0928168 0.7145735 17 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 -0.1053924 0.0000000 -0.0921257 -2.6413554 18 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 0.1053924 0.0000000 0.0921257 -2.6413554 19 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 -0.1053924 0.0000000 -0.0921257 -2.6413554 20 Br -1.6241720 0.0000000 0.0000000 0.0000000 -1.4346487 0.1053924 0.0000000 0.0921257 -2.6413554 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 11 7 ] 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: 0.53, Number of G-points: 297, Lambda: 0.17 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.615 ( 0.000 0.000 0.000) 0.000 0.932 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 0.000) 0.000 1.340 ( 0.000 0.000 0.000) 0.000 1.363 ( 0.000 0.000 0.000) 0.000 1.389 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 1.971 ( 0.000 0.000 0.000) 0.000 2.071 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.187 ( 0.000 0.000 0.000) 0.000 2.233 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.355 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.465 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.592 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.897 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 3.122 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.924 ( 0.000 0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.488 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.591 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.647 ( 0.000 0.000 0.000) 0.000 5.873 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 5.976 ( 0.000 0.000 0.000) 0.000 6.043 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.877 ( 0.000 0.000 0.000) 0.000 7.023 ( 0.000 0.000 0.000) 0.000 7.038 ( 0.000 0.000 0.000) 0.000 7.049 ( 0.000 0.000 0.000) 0.000 7.273 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 7.874 ( 0.000 0.000 0.000) 0.000 7.919 ( 0.000 0.000 0.000) 0.000 8.120 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.246 ( 13.937 0.000 0.000) 13.937 0.306 ( 15.694 0.000 0.000) 15.694 0.633 ( 0.642 0.000 0.000) 0.642 0.671 ( 36.105 0.000 0.000) 36.105 0.775 ( -12.771 0.000 0.000) 12.771 1.327 ( -1.843 0.000 0.000) 1.843 1.332 ( -1.831 0.000 0.000) 1.831 1.341 ( 11.441 0.000 0.000) 11.441 1.395 ( 0.945 0.000 0.000) 0.945 1.500 ( -7.555 0.000 0.000) 7.555 1.629 ( 0.672 0.000 0.000) 0.672 1.732 ( -12.747 0.000 0.000) 12.747 1.778 ( 0.032 0.000 0.000) 0.032 1.900 ( -11.102 0.000 0.000) 11.102 1.997 ( 1.812 0.000 0.000) 1.812 2.029 ( 5.463 0.000 0.000) 5.463 2.033 ( -1.080 0.000 0.000) 1.080 2.177 ( -1.099 0.000 0.000) 1.099 2.178 ( -1.477 0.000 0.000) 1.477 2.202 ( -7.419 0.000 0.000) 7.419 2.330 ( 7.356 0.000 0.000) 7.356 2.374 ( 2.706 0.000 0.000) 2.706 2.456 ( -1.114 0.000 0.000) 1.114 2.488 ( -2.260 0.000 0.000) 2.260 2.553 ( 6.992 0.000 0.000) 6.992 2.611 ( 1.910 0.000 0.000) 1.910 2.669 ( -0.777 0.000 0.000) 0.777 2.729 ( -4.209 0.000 0.000) 4.209 2.951 ( 6.404 0.000 0.000) 6.404 2.985 ( 5.080 0.000 0.000) 5.080 3.112 ( -1.363 0.000 0.000) 1.363 3.325 ( -9.820 0.000 0.000) 9.820 3.425 ( -0.296 0.000 0.000) 0.296 3.435 ( -0.633 0.000 0.000) 0.633 4.027 ( 2.308 0.000 0.000) 2.308 4.131 ( -2.413 0.000 0.000) 2.413 4.485 ( 0.006 0.000 0.000) 0.006 4.486 ( -0.094 0.000 0.000) 0.094 4.548 ( 1.159 0.000 0.000) 1.159 4.586 ( -0.648 0.000 0.000) 0.648 5.439 ( 3.707 0.000 0.000) 3.707 5.484 ( 4.274 0.000 0.000) 4.274 5.595 ( -3.364 0.000 0.000) 3.364 5.628 ( -2.250 0.000 0.000) 2.250 5.884 ( 1.158 0.000 0.000) 1.158 5.931 ( -0.977 0.000 0.000) 0.977 5.982 ( 0.636 0.000 0.000) 0.636 6.028 ( -1.495 0.000 0.000) 1.495 6.354 ( 0.450 0.000 0.000) 0.450 6.373 ( -0.413 0.000 0.000) 0.413 6.832 ( 0.647 0.000 0.000) 0.647 6.866 ( -1.039 0.000 0.000) 1.039 7.026 ( 0.323 0.000 0.000) 0.323 7.044 ( -0.509 0.000 0.000) 0.509 7.071 ( 3.464 0.000 0.000) 3.464 7.233 ( -4.100 0.000 0.000) 4.100 7.747 ( 2.460 0.000 0.000) 2.460 7.853 ( -2.273 0.000 0.000) 2.273 7.955 ( 3.763 0.000 0.000) 3.763 8.096 ( -2.691 0.000 0.000) 2.691 ======================= Grid point 2 (3/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -5.580 0.000 0.000) 5.580 0.459 ( 5.580 0.000 0.000) 5.580 0.604 ( -0.076 0.000 0.000) 0.076 0.604 ( 0.076 0.000 0.000) 0.076 1.197 ( -19.129 0.000 0.000) 19.129 1.197 ( 19.129 0.000 0.000) 19.129 1.355 ( -4.826 0.000 0.000) 4.826 1.355 ( 4.826 0.000 0.000) 4.826 1.464 ( -10.445 0.000 0.000) 10.445 1.464 ( 10.445 0.000 0.000) 10.445 1.561 ( -9.364 0.000 0.000) 9.364 1.561 ( 9.364 0.000 0.000) 9.364 1.780 ( -1.632 0.000 0.000) 1.632 1.780 ( 1.632 0.000 0.000) 1.632 2.016 ( -0.742 0.000 0.000) 0.742 2.016 ( 0.742 0.000 0.000) 0.742 2.123 ( -4.548 0.000 0.000) 4.548 2.123 ( 4.548 0.000 0.000) 4.548 2.155 ( -0.736 0.000 0.000) 0.736 2.155 ( 0.736 0.000 0.000) 0.736 2.420 ( -3.228 0.000 0.000) 3.228 2.420 ( 3.228 0.000 0.000) 3.228 2.435 ( -3.548 0.000 0.000) 3.548 2.435 ( 3.548 0.000 0.000) 3.548 2.646 ( -1.783 0.000 0.000) 1.783 2.646 ( 1.783 0.000 0.000) 1.783 2.652 ( -4.681 0.000 0.000) 4.681 2.652 ( 4.681 0.000 0.000) 4.681 3.067 ( -3.806 0.000 0.000) 3.806 3.067 ( 3.806 0.000 0.000) 3.806 3.120 ( -11.993 0.000 0.000) 11.993 3.120 ( 11.993 0.000 0.000) 11.993 3.425 ( -0.311 0.000 0.000) 0.311 3.425 ( 0.311 0.000 0.000) 0.311 4.078 ( -3.286 0.000 0.000) 3.286 4.078 ( 3.286 0.000 0.000) 3.286 4.485 ( -0.028 0.000 0.000) 0.028 4.485 ( 0.028 0.000 0.000) 0.028 4.570 ( -1.136 0.000 0.000) 1.136 4.570 ( 1.136 0.000 0.000) 1.136 5.519 ( -4.896 0.000 0.000) 4.896 5.519 ( 4.896 0.000 0.000) 4.896 5.567 ( -4.527 0.000 0.000) 4.527 5.567 ( 4.527 0.000 0.000) 4.527 5.908 ( -1.453 0.000 0.000) 1.453 5.908 ( 1.453 0.000 0.000) 1.453 6.000 ( -1.472 0.000 0.000) 1.472 6.000 ( 1.472 0.000 0.000) 1.472 6.364 ( -0.610 0.000 0.000) 0.610 6.364 ( 0.610 0.000 0.000) 0.610 6.847 ( -1.058 0.000 0.000) 1.058 6.847 ( 1.058 0.000 0.000) 1.058 7.034 ( -0.572 0.000 0.000) 0.572 7.034 ( 0.572 0.000 0.000) 0.572 7.148 ( -5.029 0.000 0.000) 5.029 7.148 ( 5.029 0.000 0.000) 5.029 7.801 ( -3.331 0.000 0.000) 3.331 7.801 ( 3.331 0.000 0.000) 3.331 8.031 ( -4.375 0.000 0.000) 4.375 8.031 ( 4.375 0.000 0.000) 4.375 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.271 ( 0.000 13.909 0.000) 13.909 0.336 ( 0.000 16.172 0.000) 16.172 0.363 ( 0.000 17.594 0.000) 17.594 0.719 ( 0.000 9.032 0.000) 9.032 0.959 ( 0.000 2.721 0.000) 2.721 1.168 ( 0.000 -2.299 0.000) 2.299 1.332 ( 0.000 -0.774 0.000) 0.774 1.360 ( 0.000 -0.158 0.000) 0.158 1.402 ( 0.000 1.118 0.000) 1.118 1.597 ( 0.000 0.415 0.000) 0.415 1.603 ( 0.000 -0.891 0.000) 0.891 1.755 ( 0.000 -1.356 0.000) 1.356 1.848 ( 0.000 0.804 0.000) 0.804 1.863 ( 0.000 0.260 0.000) 0.260 1.960 ( 0.000 -1.050 0.000) 1.050 1.995 ( 0.000 2.202 0.000) 2.202 2.063 ( 0.000 -0.913 0.000) 0.913 2.184 ( 0.000 -0.362 0.000) 0.362 2.247 ( 0.000 1.278 0.000) 1.278 2.248 ( 0.000 -1.113 0.000) 1.113 2.338 ( 0.000 -1.004 0.000) 1.004 2.382 ( 0.000 2.508 0.000) 2.508 2.404 ( 0.000 -1.422 0.000) 1.422 2.466 ( 0.000 -0.455 0.000) 0.455 2.504 ( 0.000 -0.435 0.000) 0.435 2.658 ( 0.000 -1.723 0.000) 1.723 2.688 ( 0.000 -2.554 0.000) 2.554 2.799 ( 0.000 1.126 0.000) 1.126 2.901 ( 0.000 -0.843 0.000) 0.843 2.909 ( 0.000 0.402 0.000) 0.402 3.126 ( 0.000 0.408 0.000) 0.408 3.388 ( 0.000 -2.300 0.000) 2.300 3.422 ( 0.000 -1.786 0.000) 1.786 3.439 ( 0.000 0.276 0.000) 0.276 3.921 ( 0.000 -0.369 0.000) 0.369 4.126 ( 0.000 -2.656 0.000) 2.656 4.474 ( 0.000 -1.040 0.000) 1.040 4.481 ( 0.000 -0.620 0.000) 0.620 4.543 ( 0.000 0.633 0.000) 0.633 4.664 ( 0.000 -0.327 0.000) 0.327 5.405 ( 0.000 0.048 0.000) 0.048 5.446 ( 0.000 0.429 0.000) 0.429 5.624 ( 0.000 -0.111 0.000) 0.111 5.646 ( 0.000 -0.089 0.000) 0.089 5.872 ( 0.000 -0.116 0.000) 0.116 5.932 ( 0.000 -0.724 0.000) 0.724 5.974 ( 0.000 -0.215 0.000) 0.215 6.068 ( 0.000 0.422 0.000) 0.422 6.351 ( 0.000 0.545 0.000) 0.545 6.368 ( 0.000 -0.927 0.000) 0.927 6.829 ( 0.000 0.293 0.000) 0.293 6.879 ( 0.000 0.206 0.000) 0.206 7.022 ( 0.000 -0.080 0.000) 0.080 7.041 ( 0.000 0.225 0.000) 0.225 7.053 ( 0.000 0.348 0.000) 0.348 7.269 ( 0.000 -0.331 0.000) 0.331 7.727 ( 0.000 0.208 0.000) 0.208 7.876 ( 0.000 -0.279 0.000) 0.279 7.920 ( 0.000 0.119 0.000) 0.119 8.124 ( 0.000 0.401 0.000) 0.401 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.25 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.367 ( 9.055 9.707 0.000) 13.275 0.457 ( 10.848 12.121 0.000) 16.267 0.672 ( 12.327 6.664 0.000) 14.013 0.800 ( -12.228 2.515 0.000) 12.484 0.811 ( 18.655 9.699 0.000) 21.026 1.302 ( 3.449 -1.936 0.000) 3.955 1.337 ( -1.632 0.428 0.000) 1.687 1.342 ( 6.417 -0.280 0.000) 6.423 1.400 ( 1.010 0.538 0.000) 1.144 1.505 ( -7.373 0.627 0.000) 7.399 1.620 ( 0.556 -1.137 0.000) 1.266 1.753 ( -11.199 1.862 0.000) 11.352 1.766 ( 0.125 -1.106 0.000) 1.113 1.910 ( -11.528 0.293 0.000) 11.532 1.950 ( 4.714 -3.625 0.000) 5.947 1.992 ( 2.039 -0.465 0.000) 2.092 2.041 ( 4.713 1.197 0.000) 4.862 2.174 ( -1.183 -0.178 0.000) 1.197 2.187 ( -2.128 0.566 0.000) 2.202 2.209 ( -8.099 0.661 0.000) 8.126 2.360 ( 3.269 -1.276 0.000) 3.510 2.375 ( 4.975 1.416 0.000) 5.173 2.454 ( -0.523 -0.157 0.000) 0.546 2.474 ( -2.000 -1.166 0.000) 2.315 2.561 ( 6.427 0.553 0.000) 6.451 2.627 ( -1.975 0.381 0.000) 2.012 2.653 ( -0.558 -1.558 0.000) 1.655 2.744 ( -4.542 0.919 0.000) 4.634 2.922 ( 4.836 -1.966 0.000) 5.220 3.004 ( 6.862 1.221 0.000) 6.970 3.107 ( -2.349 -0.408 0.000) 2.384 3.330 ( -8.487 0.461 0.000) 8.499 3.407 ( -0.839 -1.824 0.000) 2.008 3.416 ( -0.581 -1.741 0.000) 1.835 3.983 ( 4.277 -2.619 0.000) 5.016 4.104 ( -2.339 -2.550 0.000) 3.460 4.475 ( 0.084 -0.977 0.000) 0.980 4.480 ( -0.165 -0.672 0.000) 0.692 4.556 ( 1.252 0.660 0.000) 1.416 4.618 ( -2.746 1.582 0.000) 3.169 5.440 ( 3.713 0.054 0.000) 3.713 5.488 ( 4.235 0.394 0.000) 4.253 5.594 ( -3.253 -0.057 0.000) 3.254 5.629 ( -2.116 0.018 0.000) 2.116 5.881 ( 1.032 -0.243 0.000) 1.060 5.924 ( -0.888 -0.647 0.000) 1.099 5.980 ( 0.759 -0.115 0.000) 0.768 6.040 ( -2.223 0.759 0.000) 2.349 6.356 ( 0.323 0.223 0.000) 0.393 6.366 ( -0.191 -0.730 0.000) 0.755 6.834 ( 0.620 0.268 0.000) 0.676 6.868 ( -1.041 0.197 0.000) 1.059 7.027 ( 0.437 0.109 0.000) 0.451 7.047 ( -0.540 0.321 0.000) 0.629 7.071 ( 3.364 0.052 0.000) 3.364 7.231 ( -4.016 -0.250 0.000) 4.024 7.749 ( 2.391 0.144 0.000) 2.395 7.853 ( -2.347 -0.097 0.000) 2.349 7.957 ( 3.794 0.141 0.000) 3.797 8.099 ( -2.749 0.348 0.000) 2.771 ======================= Grid point 7 (6/72) ======================= q-point: (-0.50 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( -5.377 6.982 0.000) 8.812 0.546 ( 5.377 6.982 0.000) 8.812 0.671 ( -2.749 6.859 0.000) 7.389 0.671 ( 2.749 6.859 0.000) 7.389 1.214 ( -13.831 1.399 0.000) 13.901 1.214 ( 13.831 1.399 0.000) 13.901 1.356 ( -3.589 0.237 0.000) 3.597 1.356 ( 3.589 0.237 0.000) 3.597 1.492 ( -12.063 2.532 0.000) 12.326 1.492 ( 12.063 2.532 0.000) 12.326 1.555 ( -7.543 -0.708 0.000) 7.576 1.555 ( 7.543 -0.708 0.000) 7.576 1.775 ( -1.288 -0.550 0.000) 1.401 1.775 ( 1.288 -0.550 0.000) 1.401 1.998 ( -0.901 -1.239 0.000) 1.532 1.998 ( 0.901 -1.239 0.000) 1.532 2.128 ( -3.761 0.550 0.000) 3.801 2.128 ( 3.761 0.550 0.000) 3.801 2.155 ( -0.651 -0.037 0.000) 0.652 2.155 ( 0.651 -0.037 0.000) 0.652 2.421 ( -3.574 -1.133 0.000) 3.749 2.421 ( 3.574 -1.133 0.000) 3.749 2.434 ( -0.507 0.791 0.000) 0.940 2.434 ( 0.507 0.791 0.000) 0.940 2.630 ( -0.275 -1.002 0.000) 1.039 2.630 ( 0.275 -1.002 0.000) 1.039 2.664 ( -2.908 0.406 0.000) 2.936 2.664 ( 2.908 0.406 0.000) 2.936 3.034 ( -5.682 -2.272 0.000) 6.120 3.034 ( 5.682 -2.272 0.000) 6.120 3.148 ( -9.699 1.913 0.000) 9.886 3.148 ( 9.699 1.913 0.000) 9.886 3.406 ( -0.054 -1.804 0.000) 1.805 3.406 ( 0.054 -1.804 0.000) 1.805 4.051 ( -2.800 -2.439 0.000) 3.713 4.051 ( 2.800 -2.439 0.000) 3.713 4.477 ( -0.050 -0.822 0.000) 0.823 4.477 ( 0.050 -0.822 0.000) 0.823 4.582 ( -1.672 0.957 0.000) 1.927 4.582 ( 1.672 0.957 0.000) 1.927 5.519 ( -4.866 0.039 0.000) 4.866 5.519 ( 4.866 0.039 0.000) 4.866 5.570 ( -4.401 0.253 0.000) 4.408 5.570 ( 4.401 0.253 0.000) 4.408 5.903 ( -1.311 -0.466 0.000) 1.391 5.903 ( 1.311 -0.466 0.000) 1.391 6.003 ( -1.787 0.230 0.000) 1.802 6.003 ( 1.787 0.230 0.000) 1.802 6.361 ( -0.043 -0.250 0.000) 0.254 6.361 ( 0.043 -0.250 0.000) 0.254 6.849 ( -0.593 0.219 0.000) 0.632 6.849 ( 0.593 0.219 0.000) 0.632 7.036 ( -0.454 0.244 0.000) 0.516 7.036 ( 0.454 0.244 0.000) 0.516 7.147 ( -4.937 -0.094 0.000) 4.938 7.147 ( 4.937 -0.094 0.000) 4.938 7.801 ( -3.133 0.005 0.000) 3.133 7.801 ( 3.133 0.005 0.000) 3.133 8.034 ( -4.432 0.231 0.000) 4.438 8.034 ( 4.432 0.231 0.000) 4.438 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 0.000 13.613 0.000) 13.613 0.645 ( 0.000 14.301 0.000) 14.301 0.701 ( 0.000 15.618 0.000) 15.618 0.927 ( 0.000 10.611 0.000) 10.611 1.042 ( 0.000 5.517 0.000) 5.517 1.105 ( 0.000 -3.786 0.000) 3.786 1.312 ( 0.000 -1.151 0.000) 1.151 1.362 ( 0.000 0.499 0.000) 0.499 1.432 ( 0.000 1.828 0.000) 1.828 1.577 ( 0.000 -1.624 0.000) 1.624 1.610 ( 0.000 0.914 0.000) 0.914 1.717 ( 0.000 -2.464 0.000) 2.464 1.878 ( 0.000 2.151 0.000) 2.151 1.880 ( 0.000 1.447 0.000) 1.447 1.930 ( 0.000 -1.840 0.000) 1.840 2.027 ( 0.000 -2.787 0.000) 2.787 2.051 ( 0.000 3.168 0.000) 3.168 2.167 ( 0.000 -1.478 0.000) 1.478 2.223 ( 0.000 -1.199 0.000) 1.199 2.275 ( 0.000 0.903 0.000) 0.903 2.322 ( 0.000 0.014 0.000) 0.014 2.373 ( 0.000 -1.727 0.000) 1.727 2.442 ( 0.000 -1.736 0.000) 1.736 2.445 ( 0.000 3.482 0.000) 3.482 2.488 ( 0.000 -1.219 0.000) 1.219 2.608 ( 0.000 -3.107 0.000) 3.107 2.629 ( 0.000 -3.278 0.000) 3.278 2.810 ( 0.000 -0.160 0.000) 0.160 2.875 ( 0.000 -1.651 0.000) 1.651 2.918 ( 0.000 0.332 0.000) 0.332 3.139 ( 0.000 0.858 0.000) 0.858 3.330 ( 0.000 -3.319 0.000) 3.319 3.380 ( 0.000 -2.031 0.000) 2.031 3.438 ( 0.000 -0.398 0.000) 0.398 3.911 ( 0.000 -0.578 0.000) 0.578 4.055 ( 0.000 -4.033 0.000) 4.033 4.446 ( 0.000 -1.647 0.000) 1.647 4.463 ( 0.000 -1.181 0.000) 1.181 4.558 ( 0.000 0.761 0.000) 0.761 4.655 ( 0.000 -0.515 0.000) 0.515 5.406 ( 0.000 0.118 0.000) 0.118 5.458 ( 0.000 0.651 0.000) 0.651 5.620 ( 0.000 -0.219 0.000) 0.219 5.644 ( 0.000 -0.150 0.000) 0.150 5.868 ( 0.000 -0.233 0.000) 0.233 5.913 ( 0.000 -1.120 0.000) 1.120 5.968 ( 0.000 -0.354 0.000) 0.354 6.079 ( 0.000 0.668 0.000) 0.668 6.342 ( 0.000 -1.551 0.000) 1.551 6.366 ( 0.000 0.859 0.000) 0.859 6.837 ( 0.000 0.566 0.000) 0.566 6.885 ( 0.000 0.371 0.000) 0.371 7.021 ( 0.000 0.020 0.000) 0.020 7.045 ( 0.000 0.215 0.000) 0.215 7.062 ( 0.000 0.591 0.000) 0.591 7.260 ( 0.000 -0.575 0.000) 0.575 7.732 ( 0.000 0.330 0.000) 0.330 7.868 ( 0.000 -0.499 0.000) 0.499 7.923 ( 0.000 0.186 0.000) 0.186 8.135 ( 0.000 0.665 0.000) 0.665 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.25 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 4.304 11.809 0.000) 12.569 0.720 ( 7.398 13.022 0.000) 14.977 0.872 ( -10.382 4.247 0.000) 11.218 0.872 ( 8.874 11.713 0.000) 14.695 1.007 ( 12.373 9.009 0.000) 15.305 1.259 ( 5.084 -2.046 0.000) 5.480 1.332 ( 5.321 -0.452 0.000) 5.341 1.353 ( -0.889 1.304 0.000) 1.578 1.417 ( 0.931 1.100 0.000) 1.441 1.526 ( -6.799 1.387 0.000) 6.939 1.585 ( -0.012 -2.118 0.000) 2.118 1.733 ( 0.669 -2.085 0.000) 2.190 1.795 ( -8.881 1.788 0.000) 9.060 1.882 ( -7.875 -1.965 0.000) 8.117 1.937 ( 1.147 0.774 0.000) 1.384 1.984 ( 3.030 -0.116 0.000) 3.032 2.076 ( 2.856 2.071 0.000) 3.528 2.170 ( -0.621 -0.287 0.000) 0.684 2.197 ( -1.961 0.276 0.000) 1.980 2.224 ( -8.772 0.702 0.000) 8.800 2.321 ( 3.143 -2.328 0.000) 3.912 2.388 ( 5.212 0.260 0.000) 5.218 2.441 ( -0.823 -1.732 0.000) 1.918 2.451 ( -1.456 -0.771 0.000) 1.647 2.570 ( 6.039 0.326 0.000) 6.048 2.608 ( -0.010 -2.692 0.000) 2.693 2.612 ( -1.163 -1.760 0.000) 2.110 2.752 ( -5.051 -0.101 0.000) 5.052 2.882 ( 3.815 -2.029 0.000) 4.321 3.023 ( 7.920 0.440 0.000) 7.932 3.099 ( -4.434 -0.364 0.000) 4.449 3.337 ( -1.255 -0.667 0.000) 1.421 3.359 ( -6.339 -1.951 0.000) 6.632 3.374 ( -0.580 -2.023 0.000) 2.104 3.940 ( 2.834 -1.713 0.000) 3.311 4.038 ( -1.926 -3.768 0.000) 4.231 4.448 ( 0.240 -1.580 0.000) 1.598 4.460 ( -0.309 -1.242 0.000) 1.280 4.571 ( 1.284 0.715 0.000) 1.470 4.634 ( -1.970 0.190 0.000) 1.979 5.441 ( 3.706 0.110 0.000) 3.707 5.498 ( 4.077 0.560 0.000) 4.116 5.593 ( -3.071 -0.107 0.000) 3.073 5.628 ( -1.849 -0.067 0.000) 1.850 5.875 ( 0.708 -0.420 0.000) 0.823 5.906 ( -0.694 -1.028 0.000) 1.240 5.977 ( 1.097 -0.175 0.000) 1.110 6.054 ( -2.458 0.696 0.000) 2.555 6.345 ( 0.400 -1.225 0.000) 1.289 6.363 ( -0.354 0.451 0.000) 0.574 6.842 ( 0.546 0.521 0.000) 0.754 6.874 ( -1.033 0.370 0.000) 1.097 7.030 ( 0.699 0.229 0.000) 0.735 7.056 ( -0.624 0.546 0.000) 0.830 7.072 ( 3.134 0.039 0.000) 3.134 7.223 ( -3.789 -0.434 0.000) 3.813 7.753 ( 2.196 0.217 0.000) 2.207 7.848 ( -2.121 -0.340 0.000) 2.148 7.961 ( 3.879 0.224 0.000) 3.886 8.109 ( -2.905 0.575 0.000) 2.961 ======================= Grid point 12 (9/72) ======================= q-point: (-0.50 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( -7.440 8.170 0.000) 11.050 0.700 ( 7.440 8.170 0.000) 11.050 0.864 ( -1.754 11.101 0.000) 11.239 0.864 ( 1.754 11.101 0.000) 11.239 1.238 ( -6.199 0.693 0.000) 6.237 1.238 ( 6.199 0.693 0.000) 6.237 1.374 ( -3.741 1.700 0.000) 4.110 1.374 ( 3.741 1.700 0.000) 4.110 1.526 ( -5.800 -1.337 0.000) 5.952 1.526 ( 5.800 -1.337 0.000) 5.952 1.558 ( -14.253 3.000 0.000) 14.566 1.558 ( 14.253 3.000 0.000) 14.566 1.755 ( -1.502 -1.421 0.000) 2.068 1.755 ( 1.502 -1.421 0.000) 2.068 1.986 ( -1.467 0.250 0.000) 1.488 1.986 ( 1.467 0.250 0.000) 1.488 2.143 ( -3.031 0.738 0.000) 3.120 2.143 ( 3.031 0.738 0.000) 3.120 2.156 ( -0.011 0.282 0.000) 0.283 2.156 ( 0.011 0.282 0.000) 0.283 2.387 ( -3.923 -2.189 0.000) 4.492 2.387 ( 3.923 -2.189 0.000) 4.492 2.441 ( -0.102 -0.326 0.000) 0.341 2.441 ( 0.102 -0.326 0.000) 0.341 2.605 ( -0.008 -1.579 0.000) 1.579 2.605 ( 0.008 -1.579 0.000) 1.579 2.664 ( -2.682 -0.298 0.000) 2.698 2.664 ( 2.682 -0.298 0.000) 2.698 2.991 ( -7.166 -1.878 0.000) 7.408 2.991 ( 7.166 -1.878 0.000) 7.408 3.179 ( -9.512 0.810 0.000) 9.547 3.179 ( 9.512 0.810 0.000) 9.547 3.361 ( -0.188 -2.263 0.000) 2.271 3.361 ( 0.188 -2.263 0.000) 2.271 3.993 ( -2.181 -2.995 0.000) 3.705 3.993 ( 2.181 -2.995 0.000) 3.705 4.454 ( -0.323 -1.410 0.000) 1.447 4.454 ( 0.323 -1.410 0.000) 1.447 4.599 ( -1.868 0.635 0.000) 1.973 4.599 ( 1.868 0.635 0.000) 1.973 5.520 ( -4.774 0.051 0.000) 4.774 5.520 ( 4.774 0.051 0.000) 4.774 5.575 ( -4.041 0.261 0.000) 4.050 5.575 ( 4.041 0.261 0.000) 4.050 5.891 ( -0.979 -0.769 0.000) 1.245 5.891 ( 0.979 -0.769 0.000) 1.245 6.008 ( -2.370 0.302 0.000) 2.390 6.008 ( 2.370 0.302 0.000) 2.390 6.354 ( -0.090 -0.415 0.000) 0.425 6.354 ( 0.090 -0.415 0.000) 0.425 6.856 ( -0.347 0.427 0.000) 0.550 6.856 ( 0.347 0.427 0.000) 0.550 7.043 ( -0.506 0.422 0.000) 0.658 7.043 ( 0.506 0.422 0.000) 0.658 7.145 ( -4.701 -0.174 0.000) 4.704 7.145 ( 4.701 -0.174 0.000) 4.704 7.801 ( -2.673 -0.053 0.000) 2.673 7.801 ( 2.673 -0.053 0.000) 2.673 8.040 ( -4.598 0.377 0.000) 4.614 8.040 ( 4.598 0.377 0.000) 4.614 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 0.000 11.237 0.000) 11.237 0.907 ( 0.000 11.509 0.000) 11.509 0.981 ( 0.000 11.683 0.000) 11.683 1.023 ( 0.000 -4.075 0.000) 4.075 1.127 ( 0.000 8.894 0.000) 8.894 1.180 ( 0.000 7.928 0.000) 7.928 1.291 ( 0.000 -0.787 0.000) 0.787 1.385 ( 0.000 1.956 0.000) 1.956 1.473 ( 0.000 2.247 0.000) 2.247 1.542 ( 0.000 -1.784 0.000) 1.784 1.633 ( 0.000 1.348 0.000) 1.348 1.657 ( 0.000 -3.443 0.000) 3.443 1.886 ( 0.000 -2.503 0.000) 2.503 1.920 ( 0.000 1.754 0.000) 1.754 1.929 ( 0.000 2.710 0.000) 2.710 1.957 ( 0.000 -3.150 0.000) 3.150 2.118 ( 0.000 3.373 0.000) 3.373 2.127 ( 0.000 -2.156 0.000) 2.156 2.202 ( 0.000 -1.037 0.000) 1.037 2.269 ( 0.000 -1.045 0.000) 1.045 2.325 ( 0.000 -3.171 0.000) 3.171 2.349 ( 0.000 2.041 0.000) 2.041 2.409 ( 0.000 -1.253 0.000) 1.253 2.455 ( 0.000 -1.900 0.000) 1.900 2.500 ( 0.000 0.088 0.000) 0.088 2.549 ( 0.000 -0.918 0.000) 0.918 2.559 ( 0.000 -3.566 0.000) 3.566 2.792 ( 0.000 -1.569 0.000) 1.569 2.836 ( 0.000 -2.131 0.000) 2.131 2.916 ( 0.000 -0.605 0.000) 0.605 3.159 ( 0.000 1.011 0.000) 1.011 3.258 ( 0.000 -3.632 0.000) 3.632 3.352 ( 0.000 -0.557 0.000) 0.557 3.424 ( 0.000 -0.975 0.000) 0.975 3.899 ( 0.000 -0.549 0.000) 0.549 3.975 ( 0.000 -3.703 0.000) 3.703 4.412 ( 0.000 -1.680 0.000) 1.680 4.436 ( 0.000 -1.411 0.000) 1.411 4.571 ( 0.000 0.459 0.000) 0.459 4.645 ( 0.000 -0.503 0.000) 0.503 5.409 ( 0.000 0.173 0.000) 0.173 5.471 ( 0.000 0.628 0.000) 0.628 5.615 ( 0.000 -0.251 0.000) 0.251 5.640 ( 0.000 -0.183 0.000) 0.183 5.863 ( 0.000 -0.308 0.000) 0.308 5.889 ( 0.000 -1.144 0.000) 1.144 5.961 ( 0.000 -0.303 0.000) 0.303 6.093 ( 0.000 0.672 0.000) 0.672 6.308 ( 0.000 -1.678 0.000) 1.678 6.384 ( 0.000 0.854 0.000) 0.854 6.850 ( 0.000 0.695 0.000) 0.695 6.894 ( 0.000 0.443 0.000) 0.443 7.023 ( 0.000 0.149 0.000) 0.149 7.049 ( 0.000 0.091 0.000) 0.091 7.075 ( 0.000 0.676 0.000) 0.676 7.247 ( 0.000 -0.668 0.000) 0.668 7.739 ( 0.000 0.341 0.000) 0.341 7.857 ( 0.000 -0.593 0.000) 0.593 7.927 ( 0.000 0.176 0.000) 0.176 8.150 ( 0.000 0.712 0.000) 0.712 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.25 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 1.708 11.372 0.000) 11.499 0.950 ( -4.413 3.130 0.000) 5.410 0.965 ( 4.902 10.618 0.000) 11.695 1.098 ( 8.055 9.348 0.000) 12.339 1.161 ( 4.359 6.606 0.000) 7.914 1.236 ( 2.309 0.085 0.000) 2.311 1.336 ( 6.149 1.365 0.000) 6.299 1.395 ( 1.357 2.808 0.000) 3.119 1.440 ( -0.417 0.967 0.000) 1.053 1.546 ( -0.164 -1.332 0.000) 1.342 1.554 ( -5.864 0.940 0.000) 5.939 1.688 ( 1.261 -2.014 0.000) 2.376 1.813 ( -7.002 -0.196 0.000) 7.005 1.838 ( -8.369 -2.464 0.000) 8.724 1.964 ( 2.334 1.965 0.000) 3.051 1.992 ( 3.807 0.884 0.000) 3.908 2.119 ( 0.125 2.022 0.000) 2.026 2.160 ( 1.515 -0.830 0.000) 1.728 2.192 ( -1.085 -0.799 0.000) 1.348 2.235 ( -6.912 0.417 0.000) 6.925 2.274 ( 1.448 -2.122 0.000) 2.569 2.396 ( 3.313 0.557 0.000) 3.359 2.398 ( -1.554 -2.354 0.000) 2.821 2.423 ( -1.368 -2.052 0.000) 2.467 2.540 ( 1.839 -3.183 0.000) 3.676 2.562 ( 0.293 -3.014 0.000) 3.028 2.590 ( 3.875 1.039 0.000) 4.012 2.744 ( -5.076 -0.536 0.000) 5.104 2.841 ( 4.192 -2.030 0.000) 4.657 3.014 ( 7.740 -1.436 0.000) 7.872 3.094 ( -6.240 -0.154 0.000) 6.242 3.274 ( -0.582 -3.960 0.000) 4.003 3.347 ( -0.494 -0.447 0.000) 0.666 3.360 ( -5.326 0.580 0.000) 5.358 3.911 ( 1.234 -1.228 0.000) 1.740 3.963 ( -1.239 -3.428 0.000) 3.645 4.415 ( 0.355 -1.646 0.000) 1.683 4.432 ( -0.428 -1.452 0.000) 1.513 4.582 ( 1.148 0.381 0.000) 1.210 4.633 ( -1.241 -0.222 0.000) 1.261 5.444 ( 3.656 0.143 0.000) 3.659 5.509 ( 3.818 0.508 0.000) 3.852 5.590 ( -2.849 -0.147 0.000) 2.853 5.626 ( -1.625 -0.096 0.000) 1.628 5.865 ( 0.326 -0.490 0.000) 0.589 5.885 ( -0.495 -1.067 0.000) 1.176 5.974 ( 1.508 -0.127 0.000) 1.513 6.068 ( -2.639 0.614 0.000) 2.710 6.319 ( 1.158 -1.332 0.000) 1.765 6.372 ( -1.229 0.447 0.000) 1.308 6.854 ( 0.437 0.640 0.000) 0.775 6.883 ( -1.002 0.440 0.000) 1.095 7.036 ( 0.971 0.357 0.000) 1.035 7.069 ( -0.728 0.631 0.000) 0.964 7.072 ( 2.916 -0.057 0.000) 2.916 7.214 ( -3.482 -0.509 0.000) 3.519 7.757 ( 1.921 0.206 0.000) 1.932 7.840 ( -1.809 -0.447 0.000) 1.863 7.965 ( 3.995 0.222 0.000) 4.001 8.121 ( -3.111 0.613 0.000) 3.171 ======================= Grid point 17 (12/72) ======================= q-point: (-0.50 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -1.248 8.389 0.000) 8.481 0.870 ( 1.248 8.389 0.000) 8.481 1.083 ( -1.359 10.045 0.000) 10.136 1.083 ( 1.359 10.045 0.000) 10.136 1.242 ( -1.086 -0.065 0.000) 1.088 1.242 ( 1.086 -0.065 0.000) 1.088 1.419 ( -0.409 2.351 0.000) 2.386 1.419 ( 0.409 2.351 0.000) 2.386 1.498 ( -0.750 -0.916 0.000) 1.184 1.498 ( 0.750 -0.916 0.000) 1.184 1.613 ( -13.894 2.055 0.000) 14.045 1.613 ( 13.894 2.055 0.000) 14.045 1.722 ( -1.614 -1.675 0.000) 2.327 1.722 ( 1.614 -1.675 0.000) 2.327 2.005 ( -0.455 1.398 0.000) 1.470 2.005 ( 0.455 1.398 0.000) 1.470 2.145 ( -1.906 -0.364 0.000) 1.941 2.145 ( 1.906 -0.364 0.000) 1.941 2.176 ( -0.043 1.476 0.000) 1.477 2.176 ( 0.043 1.476 0.000) 1.477 2.333 ( -3.939 -3.168 0.000) 5.055 2.333 ( 3.939 -3.168 0.000) 5.055 2.424 ( -0.001 -1.095 0.000) 1.095 2.424 ( 0.001 -1.095 0.000) 1.095 2.561 ( -0.042 -2.738 0.000) 2.738 2.561 ( 0.042 -2.738 0.000) 2.738 2.661 ( -2.175 0.095 0.000) 2.177 2.661 ( 2.175 0.095 0.000) 2.177 2.961 ( -8.189 -1.116 0.000) 8.265 2.961 ( 8.189 -1.116 0.000) 8.265 3.163 ( -8.231 -2.526 0.000) 8.610 3.163 ( 8.232 -2.526 0.000) 8.610 3.336 ( -0.173 0.055 0.000) 0.181 3.336 ( 0.173 0.055 0.000) 0.181 3.937 ( -1.208 -2.502 0.000) 2.778 3.937 ( 1.208 -2.502 0.000) 2.778 4.423 ( -0.534 -1.553 0.000) 1.642 4.423 ( 0.534 -1.553 0.000) 1.642 4.607 ( -1.565 0.171 0.000) 1.574 4.607 ( 1.565 0.171 0.000) 1.574 5.521 ( -4.623 0.038 0.000) 4.623 5.521 ( 4.623 0.038 0.000) 4.623 5.580 ( -3.619 0.185 0.000) 3.624 5.580 ( 3.619 0.185 0.000) 3.624 5.874 ( -0.613 -0.828 0.000) 1.031 5.874 ( 0.613 -0.828 0.000) 1.031 6.014 ( -2.910 0.297 0.000) 2.926 6.014 ( 2.910 0.297 0.000) 2.926 6.345 ( -0.694 -0.471 0.000) 0.839 6.345 ( 0.694 -0.471 0.000) 0.839 6.866 ( -0.249 0.521 0.000) 0.577 6.866 ( 0.249 0.521 0.000) 0.577 7.053 ( -0.685 0.514 0.000) 0.856 7.053 ( 0.685 0.514 0.000) 0.856 7.141 ( -4.416 -0.229 0.000) 4.422 7.141 ( 4.416 -0.229 0.000) 4.422 7.799 ( -2.200 -0.115 0.000) 2.203 7.799 ( 2.200 -0.115 0.000) 2.203 8.048 ( -4.846 0.394 0.000) 4.862 8.048 ( 4.846 0.394 0.000) 4.862 ======================= Grid point 20 (13/72) ======================= q-point: ( 0.00 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 0.000 -3.303 0.000) 3.303 0.997 ( 0.000 7.384 0.000) 7.384 1.109 ( 0.000 8.132 0.000) 8.132 1.159 ( 0.000 5.803 0.000) 5.803 1.281 ( 0.000 6.338 0.000) 6.338 1.284 ( 0.000 0.272 0.000) 0.272 1.353 ( 0.000 8.875 0.000) 8.875 1.442 ( 0.000 3.318 0.000) 3.318 1.507 ( 0.000 -1.718 0.000) 1.718 1.519 ( 0.000 2.232 0.000) 2.232 1.579 ( 0.000 -4.117 0.000) 4.117 1.660 ( 0.000 1.021 0.000) 1.021 1.829 ( 0.000 -3.068 0.000) 3.068 1.859 ( 0.000 -4.218 0.000) 4.218 1.978 ( 0.000 2.018 0.000) 2.018 1.999 ( 0.000 3.851 0.000) 3.851 2.093 ( 0.000 -0.940 0.000) 0.940 2.176 ( 0.000 -1.617 0.000) 1.617 2.183 ( 0.000 2.942 0.000) 2.942 2.241 ( 0.000 -1.741 0.000) 1.741 2.251 ( 0.000 -3.860 0.000) 3.860 2.388 ( 0.000 1.649 0.000) 1.649 2.389 ( 0.000 -0.924 0.000) 0.924 2.420 ( 0.000 -1.317 0.000) 1.317 2.442 ( 0.000 -3.553 0.000) 3.553 2.491 ( 0.000 -2.897 0.000) 2.897 2.581 ( 0.000 1.920 0.000) 1.920 2.751 ( 0.000 -2.288 0.000) 2.288 2.794 ( 0.000 -1.888 0.000) 1.888 2.899 ( 0.000 -0.863 0.000) 0.863 3.177 ( 0.000 0.773 0.000) 0.773 3.191 ( 0.000 -2.895 0.000) 2.895 3.355 ( 0.000 0.609 0.000) 0.609 3.401 ( 0.000 -1.101 0.000) 1.101 3.890 ( 0.000 -0.345 0.000) 0.345 3.913 ( 0.000 -2.277 0.000) 2.277 4.381 ( 0.000 -1.232 0.000) 1.232 4.409 ( 0.000 -1.140 0.000) 1.140 4.577 ( 0.000 0.125 0.000) 0.125 4.636 ( 0.000 -0.343 0.000) 0.343 5.413 ( 0.000 0.162 0.000) 0.162 5.482 ( 0.000 0.432 0.000) 0.432 5.611 ( 0.000 -0.185 0.000) 0.185 5.637 ( 0.000 -0.160 0.000) 0.160 5.856 ( 0.000 -0.275 0.000) 0.275 5.869 ( 0.000 -0.838 0.000) 0.838 5.957 ( 0.000 -0.156 0.000) 0.156 6.105 ( 0.000 0.479 0.000) 0.479 6.278 ( 0.000 -1.276 0.000) 1.276 6.399 ( 0.000 0.596 0.000) 0.596 6.864 ( 0.000 0.572 0.000) 0.572 6.902 ( 0.000 0.371 0.000) 0.371 7.027 ( 0.000 0.210 0.000) 0.210 7.049 ( 0.000 -0.037 0.000) 0.037 7.088 ( 0.000 0.566 0.000) 0.566 7.234 ( 0.000 -0.564 0.000) 0.564 7.745 ( 0.000 0.254 0.000) 0.254 7.845 ( 0.000 -0.495 0.000) 0.495 7.930 ( 0.000 0.112 0.000) 0.112 8.163 ( 0.000 0.537 0.000) 0.537 ======================= Grid point 21 (14/72) ======================= q-point: ( 0.25 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 2.673 -0.343 0.000) 2.695 1.037 ( 1.361 9.213 0.000) 9.313 1.151 ( 4.549 7.203 0.000) 8.519 1.207 ( 5.061 2.669 0.000) 5.722 1.259 ( -1.449 1.941 0.000) 2.422 1.292 ( 1.032 4.790 0.000) 4.900 1.407 ( 4.461 5.568 0.000) 7.135 1.434 ( 0.196 0.091 0.000) 0.216 1.465 ( -2.364 2.172 0.000) 3.210 1.542 ( -3.407 -2.335 0.000) 4.130 1.551 ( 2.714 1.934 0.000) 3.333 1.669 ( 0.613 0.071 0.000) 0.617 1.787 ( -6.489 -2.472 0.000) 6.944 1.788 ( -5.025 -2.023 0.000) 5.417 2.013 ( 3.099 0.996 0.000) 3.255 2.014 ( 1.349 2.857 0.000) 3.159 2.134 ( 3.903 -1.484 0.000) 4.175 2.150 ( -3.323 0.876 0.000) 3.437 2.170 ( -1.053 -1.353 0.000) 1.714 2.239 ( 0.193 -1.365 0.000) 1.379 2.239 ( -1.500 0.020 0.000) 1.501 2.346 ( -4.173 -2.848 0.000) 5.052 2.385 ( -0.482 -1.126 0.000) 1.225 2.409 ( 1.061 0.676 0.000) 1.258 2.479 ( 2.061 -2.628 0.000) 3.340 2.499 ( 0.783 -2.930 0.000) 3.033 2.614 ( 2.771 1.106 0.000) 2.983 2.732 ( -4.250 -0.638 0.000) 4.297 2.802 ( 5.723 -1.702 0.000) 5.971 2.974 ( 6.306 -2.093 0.000) 6.645 3.093 ( -6.825 0.159 0.000) 6.827 3.196 ( -2.779 -3.562 0.000) 4.518 3.353 ( -0.182 0.722 0.000) 0.744 3.370 ( -2.319 0.366 0.000) 2.348 3.891 ( 0.151 -0.728 0.000) 0.744 3.906 ( -0.688 -2.135 0.000) 2.243 4.385 ( 0.400 -1.223 0.000) 1.287 4.405 ( -0.491 -1.157 0.000) 1.257 4.586 ( 1.009 0.077 0.000) 1.012 4.628 ( -0.893 -0.236 0.000) 0.924 5.447 ( 3.573 0.125 0.000) 3.575 5.518 ( 3.566 0.336 0.000) 3.582 5.587 ( -2.667 -0.124 0.000) 2.670 5.624 ( -1.442 -0.085 0.000) 1.444 5.856 ( 0.011 -0.399 0.000) 0.399 5.865 ( -0.345 -0.790 0.000) 0.862 5.972 ( 1.836 -0.039 0.000) 1.836 6.078 ( -2.805 0.428 0.000) 2.837 6.295 ( 1.837 -1.018 0.000) 2.100 6.380 ( -2.000 0.297 0.000) 2.022 6.867 ( 0.326 0.525 0.000) 0.618 6.891 ( -0.974 0.360 0.000) 1.038 7.044 ( 1.147 0.429 0.000) 1.225 7.070 ( 2.818 -0.190 0.000) 2.824 7.081 ( -0.813 0.536 0.000) 0.974 7.204 ( -3.192 -0.436 0.000) 3.221 7.761 ( 1.644 0.140 0.000) 1.650 7.831 ( -1.527 -0.385 0.000) 1.575 7.969 ( 4.110 0.152 0.000) 4.112 8.133 ( -3.304 0.461 0.000) 3.336 ======================= Grid point 22 (15/72) ======================= q-point: (-0.50 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( -0.694 6.067 0.000) 6.106 1.021 ( 0.694 6.067 0.000) 6.106 1.238 ( -1.374 0.586 0.000) 1.493 1.238 ( 1.374 0.586 0.000) 1.493 1.260 ( -0.417 6.539 0.000) 6.553 1.260 ( 0.417 6.539 0.000) 6.553 1.453 ( -0.198 0.938 0.000) 0.959 1.453 ( 0.198 0.938 0.000) 0.959 1.493 ( -0.111 0.080 0.000) 0.137 1.493 ( 0.111 0.080 0.000) 0.137 1.645 ( -8.992 1.545 0.000) 9.124 1.645 ( 8.992 1.545 0.000) 9.124 1.693 ( -1.743 -1.249 0.000) 2.144 1.693 ( 1.743 -1.249 0.000) 2.144 2.036 ( -0.089 1.617 0.000) 1.620 2.036 ( 0.089 1.617 0.000) 1.620 2.132 ( -0.711 -0.892 0.000) 1.141 2.132 ( 0.711 -0.892 0.000) 1.141 2.203 ( -2.906 0.767 0.000) 3.005 2.203 ( 2.906 0.767 0.000) 3.005 2.269 ( -1.506 -2.651 0.000) 3.048 2.269 ( 1.506 -2.651 0.000) 3.048 2.403 ( -0.191 -0.897 0.000) 0.917 2.403 ( 0.191 -0.897 0.000) 0.917 2.504 ( -0.035 -2.678 0.000) 2.679 2.504 ( 0.035 -2.678 0.000) 2.679 2.665 ( -1.748 0.226 0.000) 1.763 2.665 ( 1.748 0.226 0.000) 1.763 2.947 ( -9.212 -0.259 0.000) 9.215 2.947 ( 9.212 -0.259 0.000) 9.215 3.095 ( -6.044 -3.610 0.000) 7.040 3.095 ( 6.044 -3.610 0.000) 7.040 3.351 ( -0.017 1.022 0.000) 1.022 3.351 ( 0.017 1.022 0.000) 1.022 3.895 ( -0.302 -1.539 0.000) 1.568 3.895 ( 0.302 -1.539 0.000) 1.568 4.394 ( -0.615 -1.195 0.000) 1.344 4.394 ( 0.615 -1.195 0.000) 1.344 4.608 ( -1.274 -0.049 0.000) 1.275 4.608 ( 1.274 -0.049 0.000) 1.275 5.522 ( -4.454 0.019 0.000) 4.454 5.522 ( 4.454 0.019 0.000) 4.454 5.583 ( -3.282 0.106 0.000) 3.284 5.583 ( 3.282 0.106 0.000) 3.284 5.859 ( -0.315 -0.632 0.000) 0.706 5.859 ( 0.315 -0.632 0.000) 0.706 6.020 ( -3.339 0.229 0.000) 3.347 6.020 ( 3.339 0.229 0.000) 3.347 6.336 ( -1.853 -0.381 0.000) 1.892 6.336 ( 1.853 -0.381 0.000) 1.892 6.876 ( -0.231 0.425 0.000) 0.483 6.876 ( 0.231 0.425 0.000) 0.483 7.063 ( -0.905 0.466 0.000) 1.018 7.063 ( 0.905 0.466 0.000) 1.018 7.136 ( -4.187 -0.230 0.000) 4.193 7.136 ( 4.187 -0.230 0.000) 4.193 7.797 ( -1.926 -0.123 0.000) 1.930 7.797 ( 1.926 -0.123 0.000) 1.930 8.055 ( -5.100 0.290 0.000) 5.108 8.055 ( 5.100 0.290 0.000) 5.108 ======================= Grid point 25 (16/72) ======================= q-point: ( 0.00 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.000 -1.311 0.000) 1.311 1.099 ( 0.000 2.607 0.000) 2.607 1.220 ( 0.000 2.371 0.000) 2.371 1.228 ( 0.000 1.470 0.000) 1.470 1.310 ( 0.000 2.143 0.000) 2.143 1.381 ( 0.000 3.354 0.000) 3.354 1.471 ( 0.000 -1.633 0.000) 1.633 1.495 ( 0.000 1.439 0.000) 1.439 1.500 ( 0.000 -3.073 0.000) 3.073 1.519 ( 0.000 6.799 0.000) 6.799 1.557 ( 0.000 1.212 0.000) 1.212 1.654 ( 0.000 -2.093 0.000) 2.093 1.775 ( 0.000 -1.624 0.000) 1.624 1.792 ( 0.000 -1.949 0.000) 1.949 2.006 ( 0.000 0.667 0.000) 0.667 2.072 ( 0.000 2.774 0.000) 2.774 2.094 ( 0.000 0.877 0.000) 0.877 2.139 ( 0.000 -1.769 0.000) 1.769 2.188 ( 0.000 -1.889 0.000) 1.889 2.201 ( 0.000 -1.783 0.000) 1.783 2.230 ( 0.000 1.466 0.000) 1.466 2.372 ( 0.000 -0.575 0.000) 0.575 2.385 ( 0.000 -1.729 0.000) 1.729 2.405 ( 0.000 -0.269 0.000) 0.269 2.412 ( 0.000 0.621 0.000) 0.621 2.449 ( 0.000 -1.123 0.000) 1.123 2.608 ( 0.000 0.675 0.000) 0.675 2.713 ( 0.000 -1.150 0.000) 1.150 2.766 ( 0.000 -0.772 0.000) 0.772 2.886 ( 0.000 -0.339 0.000) 0.339 3.149 ( 0.000 -1.118 0.000) 1.118 3.188 ( 0.000 0.286 0.000) 0.286 3.367 ( 0.000 0.401 0.000) 0.401 3.384 ( 0.000 -0.485 0.000) 0.485 3.883 ( 0.000 -0.720 0.000) 0.720 3.885 ( 0.000 -0.109 0.000) 0.109 4.364 ( 0.000 -0.453 0.000) 0.453 4.393 ( 0.000 -0.436 0.000) 0.436 4.577 ( 0.000 0.001 0.000) 0.001 4.631 ( 0.000 -0.119 0.000) 0.119 5.415 ( 0.000 0.067 0.000) 0.067 5.488 ( 0.000 0.151 0.000) 0.151 5.608 ( 0.000 -0.066 0.000) 0.066 5.634 ( 0.000 -0.065 0.000) 0.065 5.852 ( 0.000 -0.112 0.000) 0.112 5.857 ( 0.000 -0.306 0.000) 0.306 5.955 ( 0.000 -0.040 0.000) 0.040 6.112 ( 0.000 0.172 0.000) 0.172 6.259 ( 0.000 -0.475 0.000) 0.475 6.407 ( 0.000 0.210 0.000) 0.210 6.872 ( 0.000 0.221 0.000) 0.221 6.908 ( 0.000 0.146 0.000) 0.146 7.030 ( 0.000 0.117 0.000) 0.117 7.048 ( 0.000 -0.054 0.000) 0.054 7.097 ( 0.000 0.231 0.000) 0.231 7.226 ( 0.000 -0.230 0.000) 0.230 7.749 ( 0.000 0.094 0.000) 0.094 7.838 ( 0.000 -0.195 0.000) 0.195 7.931 ( 0.000 0.036 0.000) 0.036 8.170 ( 0.000 0.199 0.000) 0.199 ======================= Grid point 26 (17/72) ======================= q-point: ( 0.25 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 6.630 -0.502 0.000) 6.649 1.192 ( 4.201 5.808 0.000) 7.169 1.231 ( 0.970 1.191 0.000) 1.537 1.240 ( 2.998 0.779 0.000) 3.097 1.308 ( -3.435 -2.393 0.000) 4.186 1.326 ( 1.940 3.869 0.000) 4.328 1.449 ( -0.860 1.145 0.000) 1.432 1.471 ( -2.206 -2.823 0.000) 3.582 1.496 ( -3.210 0.694 0.000) 3.285 1.542 ( 1.647 5.964 0.000) 6.188 1.595 ( 4.873 1.483 0.000) 5.094 1.651 ( -0.892 -2.924 0.000) 3.057 1.749 ( -4.473 -0.997 0.000) 4.582 1.752 ( -2.772 -0.872 0.000) 2.906 2.027 ( 2.251 0.353 0.000) 2.279 2.071 ( 0.357 2.401 0.000) 2.428 2.113 ( 1.991 -0.468 0.000) 2.045 2.137 ( -0.543 -1.791 0.000) 1.871 2.153 ( -3.296 -0.231 0.000) 3.304 2.219 ( 1.658 -0.617 0.000) 1.769 2.244 ( 0.769 0.487 0.000) 0.910 2.294 ( -5.193 -1.887 0.000) 5.525 2.380 ( -1.078 0.315 0.000) 1.124 2.423 ( -0.486 0.783 0.000) 0.922 2.439 ( 2.320 -1.243 0.000) 2.631 2.451 ( 0.955 -1.743 0.000) 1.988 2.630 ( 1.983 0.417 0.000) 2.026 2.722 ( -3.461 -0.316 0.000) 3.475 2.777 ( 7.326 -0.702 0.000) 7.359 2.942 ( 4.905 -0.878 0.000) 4.983 3.102 ( -5.416 0.720 0.000) 5.464 3.137 ( -5.503 -2.049 0.000) 5.872 3.366 ( -0.037 0.427 0.000) 0.428 3.375 ( -0.720 0.107 0.000) 0.727 3.877 ( -0.444 -0.684 0.000) 0.815 3.881 ( -0.381 -0.233 0.000) 0.446 4.368 ( 0.409 -0.452 0.000) 0.610 4.388 ( -0.512 -0.440 0.000) 0.676 4.587 ( 0.946 -0.013 0.000) 0.946 4.624 ( -0.771 -0.093 0.000) 0.777 5.449 ( 3.508 0.050 0.000) 3.509 5.522 ( 3.417 0.116 0.000) 3.419 5.585 ( -2.572 -0.047 0.000) 2.572 5.623 ( -1.330 -0.035 0.000) 1.331 5.850 ( -0.160 -0.154 0.000) 0.222 5.854 ( -0.268 -0.290 0.000) 0.395 5.972 ( 2.006 -0.001 0.000) 2.006 6.084 ( -2.896 0.153 0.000) 2.900 6.280 ( 2.232 -0.380 0.000) 2.264 6.384 ( -2.447 0.100 0.000) 2.449 6.874 ( 0.254 0.202 0.000) 0.324 6.896 ( -0.962 0.139 0.000) 0.972 7.052 ( 0.962 0.313 0.000) 1.012 7.065 ( 3.065 -0.221 0.000) 3.073 7.089 ( -0.858 0.220 0.000) 0.886 7.197 ( -3.014 -0.180 0.000) 3.019 7.763 ( 1.468 0.049 0.000) 1.469 7.826 ( -1.358 -0.153 0.000) 1.367 7.971 ( 4.184 0.052 0.000) 4.184 8.139 ( -3.420 0.170 0.000) 3.424 ======================= Grid point 27 (18/72) ======================= q-point: (-0.50 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.103 ( -8.474 2.023 0.000) 8.712 1.103 ( 8.474 2.023 0.000) 8.712 1.241 ( -0.135 0.112 0.000) 0.175 1.241 ( 0.135 0.112 0.000) 0.175 1.374 ( -0.128 4.446 0.000) 4.448 1.374 ( 0.128 4.446 0.000) 4.448 1.443 ( -0.054 -2.197 0.000) 2.198 1.443 ( 0.054 -2.197 0.000) 2.198 1.502 ( -4.906 0.751 0.000) 4.963 1.502 ( 4.906 0.751 0.000) 4.963 1.661 ( -2.521 -0.535 0.000) 2.577 1.661 ( 2.521 -0.535 0.000) 2.577 1.686 ( -2.578 0.844 0.000) 2.713 1.686 ( 2.578 0.844 0.000) 2.713 2.067 ( -0.186 1.221 0.000) 1.235 2.067 ( 0.186 1.221 0.000) 1.235 2.114 ( -0.000 -0.803 0.000) 0.803 2.114 ( 0.000 -0.803 0.000) 0.803 2.190 ( -4.652 -1.198 0.000) 4.804 2.190 ( 4.652 -1.198 0.000) 4.804 2.247 ( -0.249 -0.051 0.000) 0.254 2.247 ( 0.249 -0.051 0.000) 0.254 2.393 ( -0.615 -0.123 0.000) 0.627 2.393 ( 0.615 -0.123 0.000) 0.627 2.462 ( -0.012 -1.199 0.000) 1.200 2.462 ( 0.012 -1.199 0.000) 1.200 2.668 ( -2.028 0.075 0.000) 2.029 2.668 ( 2.028 0.075 0.000) 2.029 2.949 ( -10.773 0.306 0.000) 10.777 2.949 ( 10.773 0.306 0.000) 10.777 3.036 ( -5.089 -1.846 0.000) 5.414 3.036 ( 5.089 -1.846 0.000) 5.414 3.367 ( -0.109 0.449 0.000) 0.462 3.367 ( 0.109 0.449 0.000) 0.462 3.875 ( -0.206 -0.498 0.000) 0.539 3.875 ( 0.206 -0.498 0.000) 0.539 4.377 ( -0.637 -0.448 0.000) 0.779 4.377 ( 0.637 -0.448 0.000) 0.779 4.606 ( -1.172 -0.046 0.000) 1.173 4.606 ( 1.172 -0.046 0.000) 1.173 5.522 ( -4.340 0.006 0.000) 4.340 5.522 ( 4.340 0.006 0.000) 4.340 5.584 ( -3.098 0.034 0.000) 3.098 5.584 ( 3.098 0.034 0.000) 3.098 5.850 ( -0.150 -0.236 0.000) 0.280 5.850 ( 0.150 -0.236 0.000) 0.280 6.023 ( -3.580 0.087 0.000) 3.581 6.023 ( 3.580 0.087 0.000) 3.581 6.331 ( -3.120 -0.147 0.000) 3.124 6.331 ( 3.120 -0.147 0.000) 3.124 6.882 ( -0.395 0.163 0.000) 0.427 6.882 ( 0.395 0.163 0.000) 0.427 7.070 ( -1.089 0.202 0.000) 1.107 7.070 ( 1.089 0.202 0.000) 1.107 7.132 ( -4.082 -0.108 0.000) 4.083 7.132 ( 4.082 -0.108 0.000) 4.083 7.795 ( -1.931 -0.054 0.000) 1.932 7.795 ( 1.931 -0.054 0.000) 1.932 8.059 ( -5.262 0.106 0.000) 5.263 8.059 ( 5.262 0.106 0.000) 5.263 ======================= Grid point 55 (19/72) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.308 ( 0.000 0.000 15.764) 15.764 0.339 ( 0.000 0.000 17.825) 17.825 0.661 ( 0.000 0.000 33.518) 33.518 0.748 ( 0.000 0.000 12.035) 12.035 1.017 ( 0.000 0.000 8.292) 8.292 1.214 ( 0.000 0.000 2.147) 2.147 1.318 ( 0.000 0.000 -0.425) 0.425 1.349 ( 0.000 0.000 -4.145) 4.145 1.456 ( 0.000 0.000 7.516) 7.516 1.622 ( 0.000 0.000 2.923) 2.923 1.661 ( 0.000 0.000 4.842) 4.842 1.794 ( 0.000 0.000 -0.260) 0.260 1.802 ( 0.000 0.000 -3.960) 3.960 1.850 ( 0.000 0.000 -1.252) 1.252 1.873 ( 0.000 0.000 -9.404) 9.404 2.034 ( 0.000 0.000 -5.704) 5.704 2.153 ( 0.000 0.000 0.001) 0.001 2.160 ( 0.000 0.000 -2.399) 2.399 2.195 ( 0.000 0.000 -0.232) 0.232 2.239 ( 0.000 0.000 3.468) 3.468 2.322 ( 0.000 0.000 1.679) 1.679 2.345 ( 0.000 0.000 -0.031) 0.031 2.455 ( 0.000 0.000 -1.254) 1.254 2.506 ( 0.000 0.000 -0.231) 0.231 2.568 ( 0.000 0.000 7.608) 7.608 2.577 ( 0.000 0.000 -1.835) 1.835 2.721 ( 0.000 0.000 -1.364) 1.364 2.749 ( 0.000 0.000 -3.224) 3.224 2.894 ( 0.000 0.000 -1.472) 1.472 2.931 ( 0.000 0.000 2.883) 2.883 3.156 ( 0.000 0.000 3.875) 3.875 3.391 ( 0.000 0.000 -1.456) 1.456 3.403 ( 0.000 0.000 -2.671) 2.671 3.484 ( 0.000 0.000 2.623) 2.623 3.881 ( 0.000 0.000 -4.435) 4.435 4.094 ( 0.000 0.000 -5.989) 5.989 4.505 ( 0.000 0.000 1.825) 1.825 4.541 ( 0.000 0.000 0.399) 0.399 4.609 ( 0.000 0.000 1.649) 1.649 4.786 ( 0.000 0.000 -1.195) 1.195 5.404 ( 0.000 0.000 -0.046) 0.046 5.435 ( 0.000 0.000 -0.673) 0.673 5.632 ( 0.000 0.000 0.659) 0.659 5.648 ( 0.000 0.000 0.153) 0.153 5.878 ( 0.000 0.000 0.485) 0.485 5.930 ( 0.000 0.000 -0.811) 0.811 6.004 ( 0.000 0.000 0.873) 0.873 6.053 ( 0.000 0.000 0.804) 0.804 6.355 ( 0.000 0.000 0.931) 0.931 6.378 ( 0.000 0.000 0.084) 0.084 6.827 ( 0.000 0.000 0.114) 0.114 6.874 ( 0.000 0.000 -0.341) 0.341 7.024 ( 0.000 0.000 0.111) 0.111 7.027 ( 0.000 0.000 -0.685) 0.685 7.059 ( 0.000 0.000 0.718) 0.718 7.255 ( 0.000 0.000 -1.857) 1.857 7.740 ( 0.000 0.000 1.247) 1.247 7.884 ( 0.000 0.000 1.018) 1.018 7.913 ( 0.000 0.000 -0.580) 0.580 8.107 ( 0.000 0.000 -1.341) 1.341 ======================= Grid point 56 (20/72) ======================= q-point: ( 0.25 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.401 ( 9.398 0.000 12.648) 15.758 0.503 ( 13.148 0.000 13.366) 18.749 0.773 ( 1.372 0.000 12.644) 12.718 0.814 ( -2.694 0.000 10.682) 11.017 0.921 ( 10.823 0.000 17.318) 20.422 1.275 ( -4.265 0.000 -2.029) 4.723 1.355 ( 1.922 0.000 -3.304) 3.823 1.380 ( 12.152 0.000 3.356) 12.607 1.423 ( -2.065 0.000 5.362) 5.746 1.528 ( -7.631 0.000 2.491) 8.027 1.662 ( -4.906 0.000 2.180) 5.369 1.719 ( -4.589 0.000 -0.072) 4.589 1.823 ( 0.694 0.000 2.602) 2.693 1.886 ( 3.512 0.000 -4.417) 5.643 1.905 ( -8.709 0.000 0.063) 8.709 1.916 ( 2.184 0.000 -6.631) 6.982 2.138 ( -1.751 0.000 -1.051) 2.042 2.172 ( -3.159 0.000 -1.239) 3.394 2.195 ( -2.131 0.000 4.172) 4.685 2.205 ( -0.987 0.000 1.817) 2.067 2.325 ( 5.265 0.000 -1.514) 5.478 2.383 ( 3.384 0.000 0.668) 3.449 2.450 ( -0.705 0.000 -1.076) 1.287 2.511 ( -0.933 0.000 1.493) 1.761 2.573 ( 1.735 0.000 1.140) 2.076 2.612 ( 2.032 0.000 0.843) 2.200 2.668 ( -3.895 0.000 -2.603) 4.684 2.701 ( -3.546 0.000 -1.501) 3.851 2.967 ( 5.792 0.000 -1.504) 5.984 2.989 ( 6.478 0.000 3.104) 7.184 3.134 ( -2.439 0.000 2.575) 3.547 3.331 ( -7.536 0.000 0.567) 7.557 3.404 ( 0.253 0.000 -1.962) 1.978 3.443 ( -2.635 0.000 1.004) 2.820 3.936 ( 4.538 0.000 -6.295) 7.760 4.071 ( -2.503 0.000 -5.985) 6.487 4.513 ( 1.003 0.000 2.463) 2.659 4.553 ( 1.285 0.000 0.514) 1.384 4.601 ( -0.931 0.000 1.407) 1.687 4.644 ( -8.764 0.000 6.805) 11.096 5.440 ( 3.841 0.000 0.084) 3.842 5.478 ( 4.367 0.000 -0.597) 4.407 5.600 ( -3.425 0.000 0.532) 3.466 5.628 ( -2.426 0.000 -0.011) 2.426 5.888 ( 0.970 0.000 0.364) 1.036 5.923 ( -0.752 0.000 -0.626) 0.979 5.999 ( 0.095 0.000 1.351) 1.355 6.039 ( -1.377 0.000 0.931) 1.663 6.361 ( 0.473 0.000 0.766) 0.900 6.376 ( -0.251 0.000 0.235) 0.343 6.831 ( 0.501 0.000 -0.030) 0.502 6.862 ( -1.061 0.000 -0.392) 1.131 7.027 ( 0.367 0.000 0.160) 0.400 7.044 ( 0.349 0.000 -0.033) 0.350 7.069 ( 2.411 0.000 -0.120) 2.413 7.218 ( -3.818 0.000 -1.566) 4.127 7.761 ( 2.315 0.000 1.324) 2.666 7.863 ( -2.214 0.000 1.091) 2.468 7.948 ( 3.594 0.000 -0.782) 3.678 8.084 ( -2.618 0.000 -1.276) 2.913 ======================= Grid point 57 (21/72) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -9.759 0.000 10.697) 14.479 0.594 ( 9.759 0.000 10.697) 14.479 0.728 ( -6.096 0.000 11.597) 13.101 0.728 ( 6.096 0.000 11.597) 13.101 1.189 ( -7.817 0.000 0.180) 7.819 1.189 ( 7.817 0.000 0.180) 7.819 1.420 ( -2.102 0.000 2.871) 3.559 1.420 ( 2.102 0.000 2.871) 3.559 1.459 ( -11.779 0.000 2.612) 12.065 1.459 ( 11.779 0.000 2.612) 12.065 1.606 ( -11.054 0.000 4.088) 11.786 1.606 ( 11.054 0.000 4.088) 11.786 1.821 ( -0.123 0.000 3.671) 3.673 1.821 ( 0.123 0.000 3.671) 3.673 1.928 ( -0.636 0.000 -5.671) 5.707 1.928 ( 0.636 0.000 -5.671) 5.707 2.129 ( -0.730 0.000 -1.277) 1.471 2.129 ( 0.730 0.000 -1.277) 1.471 2.183 ( -0.388 0.000 3.039) 3.063 2.183 ( 0.388 0.000 3.039) 3.063 2.423 ( -2.120 0.000 -0.406) 2.158 2.423 ( 2.120 0.000 -0.406) 2.158 2.451 ( -4.820 0.000 0.161) 4.823 2.451 ( 4.820 0.000 0.161) 4.823 2.617 ( -1.776 0.000 -2.359) 2.953 2.617 ( 1.776 0.000 -2.359) 2.953 2.645 ( -2.233 0.000 -0.282) 2.250 2.645 ( 2.233 0.000 -0.282) 2.250 3.062 ( -4.087 0.000 -0.328) 4.100 3.062 ( 4.087 0.000 -0.328) 4.100 3.156 ( -10.212 0.000 3.033) 10.653 3.156 ( 10.212 0.000 3.033) 10.653 3.415 ( -0.425 0.000 -0.767) 0.877 3.415 ( 0.425 0.000 -0.767) 0.877 4.012 ( -3.738 0.000 -6.163) 7.207 4.012 ( 3.738 0.000 -6.163) 7.207 4.546 ( -3.103 0.000 4.619) 5.564 4.546 ( 3.103 0.000 4.619) 5.564 4.579 ( -1.457 0.000 0.880) 1.703 4.579 ( 1.457 0.000 0.880) 1.703 5.522 ( -5.032 0.000 0.328) 5.043 5.522 ( 5.032 0.000 0.328) 5.043 5.563 ( -4.703 0.000 -0.350) 4.716 5.563 ( 4.703 0.000 -0.350) 4.716 5.906 ( -1.068 0.000 -0.108) 1.073 5.906 ( 1.068 0.000 -0.108) 1.073 6.013 ( -1.353 0.000 1.143) 1.771 6.013 ( 1.353 0.000 1.143) 1.771 6.369 ( -0.137 0.000 0.557) 0.573 6.369 ( 0.137 0.000 0.557) 0.573 6.844 ( -0.677 0.000 -0.300) 0.741 6.844 ( 0.677 0.000 -0.300) 0.741 7.037 ( -0.518 0.000 0.282) 0.590 7.037 ( 0.518 0.000 0.282) 0.590 7.138 ( -4.710 0.000 -0.999) 4.815 7.138 ( 4.710 0.000 -0.999) 4.815 7.813 ( -3.194 0.000 1.212) 3.416 7.813 ( 3.194 0.000 1.212) 3.416 8.021 ( -4.224 0.000 -1.080) 4.360 8.021 ( 4.224 0.000 -1.080) 4.360 ======================= Grid point 60 (22/72) ======================= q-point: ( 0.00 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 0.000 5.649 11.273) 12.609 0.444 ( 0.000 9.072 14.226) 16.873 0.785 ( 0.000 10.032 26.594) 28.423 0.794 ( 0.000 4.276 7.850) 8.939 1.048 ( 0.000 3.172 8.270) 8.857 1.187 ( 0.000 -2.535 2.025) 3.245 1.311 ( 0.000 -0.611 -0.525) 0.806 1.346 ( 0.000 -0.257 -4.455) 4.463 1.452 ( 0.000 -0.482 6.633) 6.650 1.604 ( 0.000 -1.550 1.974) 2.510 1.673 ( 0.000 0.852 5.638) 5.702 1.786 ( 0.000 -0.567 1.501) 1.605 1.815 ( 0.000 1.377 -3.413) 3.680 1.822 ( 0.000 -1.671 -6.237) 6.457 1.890 ( 0.000 0.710 -4.048) 4.110 2.035 ( 0.000 -0.074 -5.372) 5.373 2.078 ( 0.000 -2.547 4.002) 4.743 2.173 ( 0.000 -0.066 -0.935) 0.938 2.197 ( 0.000 0.342 -1.194) 1.242 2.243 ( 0.000 -0.265 -0.095) 0.281 2.308 ( 0.000 -1.243 0.966) 1.575 2.377 ( 0.000 2.208 0.375) 2.240 2.462 ( 0.000 0.432 -0.500) 0.661 2.497 ( 0.000 -0.876 0.383) 0.956 2.552 ( 0.000 -1.479 7.124) 7.276 2.614 ( 0.000 1.191 -4.919) 5.061 2.682 ( 0.000 -2.930 0.751) 3.024 2.752 ( 0.000 0.444 -4.088) 4.112 2.888 ( 0.000 -0.666 -1.292) 1.454 2.936 ( 0.000 0.289 2.509) 2.526 3.160 ( 0.000 0.361 3.768) 3.785 3.360 ( 0.000 -2.216 -1.905) 2.922 3.409 ( 0.000 -0.281 -1.374) 1.403 3.472 ( 0.000 -0.971 2.450) 2.635 3.877 ( 0.000 -0.335 -4.412) 4.425 4.072 ( 0.000 -2.208 -5.724) 6.135 4.494 ( 0.000 -1.004 1.880) 2.132 4.547 ( 0.000 0.589 0.354) 0.687 4.582 ( 0.000 -2.743 4.235) 5.046 4.701 ( 0.000 -4.093 2.205) 4.649 5.404 ( 0.000 0.083 -0.009) 0.083 5.439 ( 0.000 0.450 -0.661) 0.799 5.630 ( 0.000 -0.193 0.581) 0.613 5.647 ( 0.000 -0.119 0.121) 0.170 5.875 ( 0.000 -0.194 0.420) 0.463 5.925 ( 0.000 -0.565 -0.662) 0.871 5.993 ( 0.000 -0.635 1.425) 1.560 6.064 ( 0.000 0.683 0.052) 0.685 6.352 ( 0.000 -0.461 0.163) 0.488 6.376 ( 0.000 -0.049 0.718) 0.720 6.829 ( 0.000 0.298 0.128) 0.324 6.878 ( 0.000 0.434 -0.112) 0.449 7.021 ( 0.000 -0.156 -0.132) 0.205 7.031 ( 0.000 0.250 -0.486) 0.546 7.066 ( 0.000 0.567 0.933) 1.092 7.253 ( 0.000 -0.118 -1.636) 1.640 7.740 ( 0.000 0.053 1.290) 1.291 7.884 ( 0.000 -0.118 0.913) 0.921 7.914 ( 0.000 0.113 -0.576) 0.587 8.111 ( 0.000 0.382 -1.361) 1.414 ======================= Grid point 61 (23/72) ======================= q-point: ( 0.25 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 8.293 4.160 9.272) 13.117 0.581 ( 11.036 6.453 10.645) 16.636 0.793 ( -3.158 2.386 5.632) 6.883 0.891 ( -1.974 6.572 12.425) 14.194 0.985 ( 12.298 5.642 15.757) 20.770 1.272 ( -3.876 -0.287 -2.223) 4.478 1.344 ( 9.353 -2.449 3.061) 10.142 1.358 ( 2.200 0.035 -3.284) 3.953 1.429 ( 0.407 -0.003 4.984) 5.000 1.525 ( -6.749 -0.253 1.793) 6.988 1.662 ( -3.263 -0.058 3.650) 4.896 1.731 ( -5.519 0.829 -1.896) 5.894 1.816 ( 0.927 -0.500 3.672) 3.820 1.880 ( 3.612 -0.351 -3.814) 5.265 1.906 ( -4.524 -0.564 -1.822) 4.910 1.928 ( -2.052 1.563 -3.740) 4.543 2.109 ( 1.459 -1.871 1.930) 3.058 2.164 ( -1.379 -0.452 -0.837) 1.675 2.186 ( -1.781 0.331 0.789) 1.976 2.220 ( -3.960 0.336 1.840) 4.379 2.345 ( 4.666 0.931 -2.559) 5.403 2.370 ( 2.077 -0.988 -0.230) 2.311 2.464 ( -0.276 0.655 0.413) 0.821 2.502 ( -0.409 -0.796 2.127) 2.308 2.572 ( 1.129 -0.618 0.912) 1.577 2.603 ( -0.039 -0.747 -1.797) 1.946 2.666 ( -1.325 -1.155 0.860) 1.958 2.694 ( -4.386 0.308 -4.532) 6.314 2.942 ( 5.156 -1.716 0.625) 5.470 3.009 ( 7.084 1.124 1.048) 7.249 3.131 ( -3.188 -0.348 2.567) 4.107 3.333 ( -5.554 0.125 0.378) 5.568 3.387 ( -1.576 -1.521 -1.532) 2.673 3.430 ( -2.025 -1.281 1.303) 2.728 3.921 ( 3.898 -1.253 -5.426) 6.797 4.050 ( -2.384 -2.085 -5.649) 6.476 4.501 ( 0.844 -1.079 2.396) 2.760 4.560 ( 1.162 0.395 0.784) 1.457 4.565 ( -1.778 -2.591 4.482) 5.474 4.641 ( -4.166 -0.193 2.180) 4.706 5.441 ( 3.834 0.078 0.110) 3.836 5.482 ( 4.315 0.393 -0.595) 4.374 5.599 ( -3.331 -0.091 0.493) 3.368 5.628 ( -2.282 -0.005 -0.056) 2.283 5.884 ( 0.866 -0.320 0.285) 0.966 5.918 ( -0.738 -0.537 -0.532) 1.056 5.995 ( 0.488 -0.272 1.314) 1.427 6.046 ( -1.765 0.507 0.580) 1.926 6.354 ( 0.123 -0.675 0.083) 0.691 6.377 ( 0.079 0.087 0.836) 0.844 6.833 ( 0.385 0.222 -0.067) 0.450 6.867 ( -0.969 0.492 -0.114) 1.093 7.028 ( 0.473 0.074 0.107) 0.491 7.046 ( 0.634 0.244 -0.097) 0.686 7.073 ( 2.015 0.348 0.184) 2.053 7.217 ( -3.758 -0.061 -1.369) 4.000 7.762 ( 2.305 0.055 1.262) 2.629 7.863 ( -2.202 -0.068 1.090) 2.458 7.949 ( 3.625 0.128 -0.795) 3.713 8.087 ( -2.670 0.335 -1.291) 2.984 ======================= Grid point 62 (24/72) ======================= q-point: (-0.50 0.09 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 1.888 8.208) 8.422 0.630 ( -0.000 1.797 6.729) 6.965 0.774 ( 0.000 4.714 9.648) 10.738 0.836 ( -0.000 8.415 10.843) 13.725 1.193 ( -0.000 1.328 0.712) 1.507 1.211 ( 0.000 0.949 -1.248) 1.568 1.402 ( -0.000 -1.212 2.072) 2.401 1.403 ( 0.000 -1.854 3.283) 3.771 1.462 ( -0.000 0.863 0.039) 0.864 1.506 ( 0.000 3.713 4.178) 5.589 1.587 ( 0.000 -0.379 3.029) 3.052 1.627 ( -0.000 0.227 3.816) 3.823 1.816 ( 0.000 -0.391 5.517) 5.531 1.828 ( 0.000 0.264 3.675) 3.684 1.924 ( 0.000 0.614 -4.768) 4.807 1.928 ( -0.000 -0.359 -5.311) 5.323 2.130 ( -0.000 0.180 -1.141) 1.155 2.131 ( 0.000 0.220 -1.257) 1.276 2.166 ( 0.000 -1.072 2.680) 2.887 2.186 ( 0.000 0.057 2.522) 2.523 2.393 ( 0.000 -1.514 -2.021) 2.525 2.440 ( 0.000 -0.454 0.574) 0.732 2.454 ( -0.000 0.152 0.516) 0.538 2.458 ( 0.000 0.819 0.684) 1.067 2.590 ( 0.000 -1.162 -4.321) 4.475 2.623 ( 0.000 -1.740 -0.744) 1.892 2.631 ( -0.000 -0.072 -0.586) 0.590 2.653 ( 0.000 0.460 -1.209) 1.293 3.034 ( 0.000 -1.653 0.385) 1.697 3.058 ( 0.000 -1.247 0.904) 1.540 3.153 ( 0.000 0.713 1.405) 1.575 3.185 ( -0.000 1.564 2.646) 3.073 3.381 ( 0.000 -2.196 -1.188) 2.497 3.416 ( 0.000 -0.805 0.347) 0.876 3.981 ( 0.000 -2.161 -5.866) 6.251 4.004 ( -0.000 -1.517 -5.455) 5.662 4.524 ( 0.000 -1.630 4.019) 4.337 4.527 ( -0.000 -1.579 3.867) 4.177 4.589 ( 0.000 0.667 0.572) 0.879 4.591 ( -0.000 0.758 1.004) 1.258 5.522 ( 0.000 -0.012 0.265) 0.265 5.524 ( -0.000 0.077 0.401) 0.408 5.564 ( 0.000 0.172 -0.458) 0.490 5.568 ( -0.000 0.305 -0.306) 0.432 5.900 ( -0.000 -0.512 -0.186) 0.545 5.903 ( 0.000 -0.435 -0.072) 0.441 6.013 ( 0.000 0.051 0.982) 0.983 6.015 ( -0.000 0.168 1.084) 1.097 6.355 ( 0.000 -0.803 0.056) 0.805 6.378 ( 0.000 0.200 0.947) 0.968 6.839 ( -0.000 -0.010 -0.475) 0.475 6.855 ( 0.000 0.692 0.122) 0.702 7.036 ( 0.000 0.122 0.113) 0.166 7.043 ( -0.000 0.425 0.509) 0.663 7.138 ( 0.000 0.016 -0.953) 0.953 7.140 ( -0.000 0.100 -0.730) 0.737 7.808 ( -0.000 -0.236 0.973) 1.001 7.818 ( 0.000 0.225 1.432) 1.449 8.021 ( -0.000 0.125 -1.209) 1.215 8.026 ( 0.000 0.317 -0.973) 1.024 ======================= Grid point 65 (25/72) ======================= q-point: ( 0.00 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 11.310 0.528) 11.322 0.655 ( 0.000 10.947 9.561) 14.535 0.908 ( 0.000 6.716 0.817) 6.766 0.993 ( 0.000 9.235 16.222) 18.667 1.123 ( 0.000 -3.356 2.747) 4.336 1.142 ( 0.000 5.924 7.701) 9.716 1.297 ( 0.000 -0.665 -1.150) 1.328 1.344 ( 0.000 0.365 -3.914) 3.931 1.440 ( 0.000 -0.455 4.669) 4.691 1.566 ( 0.000 -2.072 0.600) 2.157 1.690 ( 0.000 0.738 6.236) 6.279 1.775 ( 0.000 -0.530 4.158) 4.192 1.791 ( 0.000 -1.436 -8.706) 8.824 1.857 ( 0.000 2.609 -2.321) 3.492 1.897 ( 0.000 0.119 -1.798) 1.802 2.022 ( 0.000 -1.247 -3.382) 3.605 2.060 ( 0.000 0.098 1.246) 1.250 2.169 ( 0.000 -0.261 -1.030) 1.063 2.213 ( 0.000 1.204 -2.927) 3.165 2.225 ( 0.000 -1.343 0.817) 1.572 2.277 ( 0.000 -1.764 -0.756) 1.919 2.430 ( 0.000 2.913 -0.850) 3.034 2.460 ( 0.000 -0.966 1.560) 1.835 2.475 ( 0.000 -0.927 1.070) 1.416 2.516 ( 0.000 -1.952 6.054) 6.361 2.562 ( 0.000 -4.989 -4.428) 6.671 2.652 ( 0.000 -0.895 1.190) 1.489 2.763 ( 0.000 0.429 -4.305) 4.326 2.867 ( 0.000 -1.441 -0.925) 1.712 2.935 ( 0.000 -0.635 1.526) 1.653 3.171 ( 0.000 0.742 3.471) 3.549 3.311 ( 0.000 -2.512 -1.188) 2.778 3.386 ( 0.000 -1.671 0.360) 1.710 3.455 ( 0.000 -0.657 1.576) 1.707 3.868 ( 0.000 -0.561 -4.383) 4.418 4.010 ( 0.000 -3.654 -4.875) 6.092 4.467 ( 0.000 -1.566 2.059) 2.587 4.521 ( 0.000 -2.762 4.769) 5.511 4.561 ( 0.000 0.700 0.230) 0.737 4.657 ( 0.000 -1.062 0.157) 1.074 5.407 ( 0.000 0.169 0.081) 0.187 5.451 ( 0.000 0.691 -0.617) 0.926 5.624 ( 0.000 -0.327 0.403) 0.519 5.644 ( 0.000 -0.204 0.032) 0.207 5.871 ( 0.000 -0.278 0.283) 0.397 5.908 ( 0.000 -0.989 -0.392) 1.064 5.982 ( 0.000 -0.488 1.294) 1.383 6.077 ( 0.000 0.630 -0.154) 0.649 6.334 ( 0.000 -1.219 -0.337) 1.265 6.379 ( 0.000 0.330 0.879) 0.939 6.839 ( 0.000 0.663 0.271) 0.717 6.890 ( 0.000 0.679 0.396) 0.786 7.019 ( 0.000 0.007 -0.141) 0.141 7.036 ( 0.000 0.284 -0.469) 0.548 7.080 ( 0.000 0.815 1.381) 1.604 7.250 ( 0.000 -0.220 -1.049) 1.072 7.743 ( 0.000 0.228 1.129) 1.151 7.878 ( 0.000 -0.413 1.008) 1.089 7.917 ( 0.000 0.183 -0.559) 0.588 8.122 ( 0.000 0.628 -1.422) 1.554 ======================= Grid point 66 (26/72) ======================= q-point: ( 0.25 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 4.880 9.568 1.333) 10.823 0.732 ( 4.938 8.063 5.896) 11.143 0.875 ( -3.031 5.548 1.951) 6.616 1.037 ( -0.630 6.916 6.773) 9.701 1.113 ( 9.928 6.104 10.978) 16.010 1.265 ( -2.715 -0.465 -2.531) 3.740 1.297 ( 7.134 -1.490 2.239) 7.624 1.371 ( 3.956 1.339 -1.426) 4.413 1.423 ( 0.143 -0.284 3.877) 3.890 1.519 ( -3.936 -0.398 0.616) 4.003 1.661 ( -2.595 0.051 5.612) 6.183 1.733 ( -4.172 -0.794 -3.485) 5.494 1.814 ( -0.412 0.182 4.057) 4.082 1.879 ( -1.314 -0.304 -0.915) 1.629 1.887 ( 0.110 -0.507 -3.289) 3.330 1.968 ( -0.938 2.237 -1.525) 2.865 2.086 ( 2.378 -0.548 0.726) 2.546 2.157 ( -1.441 -0.290 -1.857) 2.368 2.198 ( -1.356 0.548 0.342) 1.502 2.224 ( -3.707 0.401 0.852) 3.825 2.313 ( 2.966 -3.079 -1.704) 4.602 2.383 ( 1.051 1.263 -0.780) 1.818 2.456 ( -1.822 -1.588 1.326) 2.757 2.485 ( 1.075 -0.805 2.961) 3.251 2.542 ( 1.094 -2.559 -3.094) 4.162 2.573 ( 1.196 -1.613 -1.260) 2.371 2.642 ( -1.054 -0.997 1.461) 2.059 2.704 ( -4.553 0.326 -4.248) 6.236 2.904 ( 4.602 -1.969 1.394) 5.196 3.022 ( 7.708 -0.134 -0.209) 7.712 3.122 ( -4.850 -0.429 2.445) 5.449 3.327 ( 1.118 -1.313 -0.208) 1.737 3.357 ( -6.330 -0.946 0.000) 6.400 3.399 ( -2.379 -1.426 1.976) 3.406 3.894 ( 2.514 -1.346 -4.636) 5.443 3.992 ( -1.898 -3.378 -4.827) 6.190 4.473 ( 0.657 -1.615 2.371) 2.943 4.511 ( -1.064 -2.428 4.330) 5.077 4.573 ( 1.269 0.619 0.209) 1.427 4.637 ( -1.935 -0.270 0.227) 1.967 5.443 ( 3.791 0.139 0.169) 3.797 5.492 ( 4.129 0.585 -0.576) 4.210 5.597 ( -3.089 -0.175 0.384) 3.118 5.627 ( -1.990 -0.084 -0.101) 1.994 5.876 ( 0.563 -0.464 0.151) 0.745 5.902 ( -0.632 -0.919 -0.344) 1.167 5.990 ( 0.938 -0.290 1.166) 1.524 6.057 ( -2.089 0.546 0.206) 2.169 6.336 ( 0.205 -1.002 -0.353) 1.082 6.378 ( -0.091 0.044 0.974) 0.979 6.841 ( 0.190 0.576 0.018) 0.607 6.880 ( -0.857 0.692 0.426) 1.181 7.031 ( 0.766 0.252 0.101) 0.813 7.053 ( 1.214 0.352 -0.238) 1.287 7.082 ( 1.142 0.537 0.853) 1.523 7.215 ( -3.597 -0.123 -0.853) 3.699 7.764 ( 2.163 0.140 1.123) 2.441 7.860 ( -2.005 -0.270 1.188) 2.346 7.953 ( 3.704 0.209 -0.821) 3.799 8.096 ( -2.812 0.546 -1.338) 3.161 ======================= Grid point 67 (27/72) ======================= q-point: (-0.50 0.18 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.000 7.277 0.537) 7.297 0.697 ( -0.000 5.137 2.721) 5.813 0.898 ( 0.000 7.110 7.968) 10.679 1.018 ( -0.000 8.713 4.958) 10.025 1.223 ( -0.000 0.400 -2.053) 2.092 1.235 ( 0.000 2.527 0.728) 2.630 1.358 ( 0.000 -2.186 0.136) 2.190 1.378 ( 0.000 -1.065 1.452) 1.801 1.489 ( -0.000 1.694 -0.529) 1.775 1.584 ( 0.000 2.379 5.528) 6.018 1.592 ( -0.000 1.649 2.096) 2.667 1.613 ( 0.000 -1.211 1.377) 1.833 1.800 ( 0.000 -1.055 6.616) 6.700 1.827 ( 0.000 -0.373 4.699) 4.714 1.922 ( 0.000 -0.062 -4.887) 4.887 1.961 ( 0.000 2.731 -1.856) 3.302 2.133 ( -0.000 -0.619 -1.993) 2.087 2.137 ( 0.000 0.402 -0.996) 1.074 2.150 ( -0.000 0.095 2.168) 2.170 2.189 ( 0.000 0.233 1.370) 1.390 2.348 ( 0.000 -3.042 -3.531) 4.661 2.423 ( 0.000 -2.622 3.377) 4.276 2.432 ( -0.000 -0.375 1.180) 1.238 2.481 ( 0.000 0.866 -1.552) 1.778 2.559 ( 0.000 -2.437 -5.872) 6.358 2.590 ( -0.000 -0.953 -0.542) 1.097 2.624 ( 0.000 -0.628 0.718) 0.954 2.656 ( 0.000 -0.217 -2.290) 2.300 3.000 ( -0.000 -1.698 0.715) 1.843 3.026 ( 0.000 -1.618 2.388) 2.885 3.163 ( 0.000 -0.380 -1.107) 1.171 3.210 ( -0.000 0.635 2.237) 2.325 3.340 ( 0.000 -1.319 -0.060) 1.321 3.387 ( -0.000 -1.776 1.446) 2.291 3.934 ( 0.000 -2.335 -5.078) 5.589 3.958 ( -0.000 -2.765 -4.539) 5.315 4.488 ( 0.000 -1.870 3.173) 3.683 4.491 ( -0.000 -1.879 3.355) 3.845 4.600 ( 0.000 0.451 0.156) 0.477 4.603 ( -0.000 0.351 0.302) 0.463 5.522 ( 0.000 0.026 0.228) 0.229 5.525 ( -0.000 0.020 0.387) 0.388 5.569 ( 0.000 0.308 -0.473) 0.565 5.574 ( -0.000 0.265 -0.289) 0.393 5.887 ( -0.000 -0.724 -0.206) 0.753 5.890 ( 0.000 -0.764 -0.075) 0.767 6.015 ( 0.000 0.067 0.687) 0.690 6.019 ( -0.000 0.235 0.894) 0.924 6.339 ( 0.000 -0.740 -0.387) 0.835 6.377 ( 0.000 -0.267 1.089) 1.122 6.844 ( 0.000 0.439 -0.369) 0.574 6.870 ( 0.000 0.774 0.623) 0.994 7.041 ( 0.000 0.451 0.125) 0.468 7.053 ( -0.000 0.538 0.704) 0.886 7.139 ( 0.000 0.081 -0.572) 0.578 7.142 ( -0.000 0.054 -0.294) 0.299 7.804 ( -0.000 -0.164 0.809) 0.825 7.821 ( 0.000 0.061 1.585) 1.587 8.026 ( -0.000 0.314 -1.318) 1.355 8.033 ( 0.000 0.401 -0.929) 1.012 ======================= Grid point 70 (28/72) ======================= q-point: ( 0.00 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 11.305 -4.800) 12.281 0.866 ( 0.000 9.616 5.762) 11.210 1.035 ( 0.000 -3.476 1.399) 3.747 1.059 ( 0.000 8.063 -2.977) 8.595 1.149 ( 0.000 4.200 6.189) 7.479 1.276 ( 0.000 7.004 6.298) 9.419 1.283 ( 0.000 -0.795 -4.091) 4.168 1.373 ( 0.000 2.337 -0.457) 2.381 1.445 ( 0.000 1.203 5.289) 5.425 1.525 ( 0.000 -1.884 -0.412) 1.929 1.701 ( 0.000 0.314 5.070) 5.080 1.755 ( 0.000 -2.277 -9.327) 9.601 1.763 ( 0.000 -0.590 6.549) 6.576 1.897 ( 0.000 -0.379 -2.677) 2.704 1.914 ( 0.000 2.865 -1.687) 3.325 1.996 ( 0.000 -0.724 0.231) 0.760 2.059 ( 0.000 -0.445 -2.152) 2.197 2.164 ( 0.000 -0.244 -0.870) 0.903 2.205 ( 0.000 -0.318 1.657) 1.687 2.234 ( 0.000 -1.045 -2.661) 2.858 2.239 ( 0.000 -0.528 -3.436) 3.476 2.431 ( 0.000 -1.454 3.386) 3.685 2.439 ( 0.000 -5.287 -4.894) 7.204 2.457 ( 0.000 -1.158 0.389) 1.222 2.478 ( 0.000 -1.517 5.903) 6.095 2.498 ( 0.000 1.888 -2.881) 3.444 2.623 ( 0.000 -1.914 2.231) 2.940 2.765 ( 0.000 -0.186 -3.045) 3.050 2.832 ( 0.000 -1.943 -0.557) 2.021 2.904 ( 0.000 -2.330 -0.468) 2.376 3.188 ( 0.000 0.921 3.152) 3.284 3.256 ( 0.000 -2.953 0.166) 2.957 3.363 ( 0.000 -0.213 1.376) 1.392 3.441 ( 0.000 -0.857 1.376) 1.621 3.856 ( 0.000 -0.592 -4.415) 4.454 3.937 ( 0.000 -3.335 -3.992) 5.202 4.435 ( 0.000 -1.585 2.286) 2.782 4.474 ( 0.000 -1.973 3.544) 4.056 4.573 ( 0.000 0.418 0.120) 0.435 4.642 ( 0.000 -0.593 -0.287) 0.659 5.411 ( 0.000 0.219 0.182) 0.285 5.466 ( 0.000 0.677 -0.543) 0.868 5.617 ( 0.000 -0.343 0.214) 0.404 5.639 ( 0.000 -0.235 -0.082) 0.249 5.864 ( 0.000 -0.314 0.210) 0.377 5.887 ( 0.000 -1.065 -0.198) 1.084 5.973 ( 0.000 -0.368 1.178) 1.235 6.090 ( 0.000 0.612 -0.315) 0.688 6.307 ( 0.000 -1.417 -0.035) 1.417 6.387 ( 0.000 0.400 0.176) 0.437 6.855 ( 0.000 0.907 0.612) 1.094 6.904 ( 0.000 0.658 0.902) 1.117 7.021 ( 0.000 0.147 -0.101) 0.179 7.042 ( 0.000 0.255 -0.352) 0.435 7.097 ( 0.000 0.815 1.817) 1.991 7.245 ( 0.000 -0.288 -0.297) 0.414 7.749 ( 0.000 0.285 0.980) 1.021 7.868 ( 0.000 -0.546 1.110) 1.237 7.921 ( 0.000 0.175 -0.546) 0.574 8.135 ( 0.000 0.665 -1.514) 1.654 ======================= Grid point 71 (29/72) ======================= q-point: ( 0.25 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.785 ( 2.233 10.540 -3.448) 11.312 0.889 ( -1.105 6.870 -0.220) 6.962 0.997 ( 2.012 5.852 4.331) 7.553 1.144 ( 3.450 3.923 -0.506) 5.248 1.196 ( 4.855 1.850 1.991) 5.564 1.258 ( -1.154 -0.059 -4.917) 5.051 1.316 ( 2.392 3.650 3.354) 5.503 1.396 ( 0.478 0.326 0.558) 0.804 1.445 ( 3.741 3.166 4.293) 6.516 1.511 ( -0.625 -0.166 1.475) 1.611 1.662 ( -3.486 -0.185 4.038) 5.338 1.711 ( -2.288 -0.817 -1.818) 3.034 1.808 ( -0.036 -0.879 3.177) 3.297 1.846 ( -4.404 -2.019 0.578) 4.879 1.913 ( 1.085 2.018 -3.041) 3.807 2.015 ( 1.604 2.381 0.150) 2.875 2.074 ( 1.247 -0.920 -2.506) 2.946 2.152 ( -1.138 -0.229 -1.961) 2.279 2.201 ( -0.217 -0.159 0.944) 0.981 2.233 ( -2.101 -1.553 -1.793) 3.169 2.252 ( 0.658 -0.916 -0.568) 1.263 2.385 ( -2.853 -2.805 -0.506) 4.033 2.414 ( -0.942 -0.977 0.360) 1.404 2.467 ( 2.200 -1.024 2.540) 3.513 2.483 ( 1.792 -2.598 -2.193) 3.843 2.558 ( 2.135 -0.048 -1.903) 2.861 2.615 ( -0.833 -1.720 2.192) 2.908 2.704 ( -5.020 -0.280 -3.802) 6.303 2.865 ( 4.888 -1.859 1.763) 5.519 2.997 ( 7.660 -2.237 -1.651) 8.149 3.115 ( -6.302 -0.276 2.207) 6.683 3.277 ( -0.716 -3.269 0.803) 3.442 3.353 ( -1.539 0.482 1.259) 2.046 3.387 ( -3.784 0.108 1.926) 4.247 3.868 ( 1.258 -1.132 -4.324) 4.643 3.924 ( -1.280 -3.111 -4.033) 5.252 4.440 ( 0.561 -1.608 2.447) 2.981 4.467 ( -0.682 -1.880 3.344) 3.896 4.583 ( 1.073 0.326 0.054) 1.123 4.630 ( -1.154 -0.327 -0.217) 1.219 5.446 ( 3.693 0.166 0.228) 3.704 5.504 ( 3.834 0.542 -0.528) 3.908 5.593 ( -2.791 -0.208 0.259) 2.811 5.625 ( -1.706 -0.120 -0.152) 1.717 5.866 ( 0.224 -0.470 0.110) 0.532 5.883 ( -0.464 -0.986 -0.175) 1.104 5.984 ( 1.313 -0.219 1.008) 1.669 6.067 ( -2.353 0.514 -0.047) 2.408 6.315 ( 0.836 -1.074 -0.206) 1.377 6.379 ( -0.824 0.002 0.441) 0.935 6.856 ( 0.025 0.839 0.320) 0.898 6.893 ( -0.826 0.617 0.884) 1.358 7.038 ( 1.125 0.418 0.201) 1.217 7.060 ( 1.848 0.318 -0.254) 1.893 7.093 ( 0.196 0.562 1.480) 1.595 7.212 ( -3.387 -0.179 -0.198) 3.397 7.767 ( 1.930 0.174 1.019) 2.189 7.853 ( -1.709 -0.401 1.299) 2.184 7.957 ( 3.807 0.210 -0.844) 3.905 8.108 ( -3.003 0.573 -1.414) 3.369 ======================= Grid point 72 (30/72) ======================= q-point: (-0.50 0.27 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 7.750 0.037) 7.750 0.841 ( -0.000 8.496 -4.830) 9.772 1.043 ( 0.000 6.883 6.140) 9.224 1.152 ( 0.000 3.691 -2.736) 4.594 1.233 ( 0.000 0.523 -1.293) 1.394 1.296 ( -0.000 3.736 0.691) 3.800 1.330 ( 0.000 -0.179 -3.386) 3.390 1.362 ( 0.000 -0.454 0.704) 0.838 1.513 ( -0.000 0.151 0.056) 0.162 1.605 ( -0.000 1.093 3.712) 3.869 1.613 ( -0.000 1.945 1.295) 2.337 1.626 ( 0.000 0.293 1.247) 1.281 1.777 ( 0.000 -1.240 6.825) 6.936 1.812 ( 0.000 -1.248 5.971) 6.100 1.931 ( 0.000 1.007 -4.653) 4.761 2.019 ( 0.000 2.685 -0.637) 2.760 2.109 ( 0.000 -1.340 -1.987) 2.397 2.144 ( 0.000 0.188 -0.667) 0.693 2.165 ( -0.000 0.976 0.656) 1.176 2.197 ( -0.000 0.518 0.161) 0.543 2.274 ( 0.000 -4.095 -4.340) 5.967 2.357 ( 0.000 -3.671 1.508) 3.969 2.424 ( 0.000 -0.504 1.792) 1.861 2.485 ( 0.000 -0.895 -1.129) 1.441 2.508 ( -0.000 -1.893 -1.310) 2.302 2.581 ( -0.000 0.012 -3.393) 3.393 2.598 ( 0.000 -1.977 1.489) 2.475 2.648 ( -0.000 -0.392 -3.019) 3.044 2.968 ( -0.000 -1.348 0.431) 1.415 3.000 ( 0.000 -0.819 3.091) 3.198 3.123 ( 0.000 -3.325 -2.875) 4.395 3.195 ( 0.000 -2.311 2.281) 3.247 3.341 ( 0.000 1.176 1.712) 2.077 3.364 ( -0.000 -0.149 1.931) 1.937 3.890 ( 0.000 -1.930 -4.261) 4.678 3.902 ( -0.000 -2.584 -4.069) 4.820 4.452 ( 0.000 -1.694 2.714) 3.199 4.454 ( -0.000 -1.726 3.034) 3.491 4.606 ( -0.000 -0.005 -0.132) 0.133 4.607 ( 0.000 0.162 -0.023) 0.163 5.522 ( 0.000 0.035 0.190) 0.193 5.525 ( -0.000 -0.035 0.288) 0.290 5.575 ( 0.000 0.272 -0.375) 0.463 5.579 ( -0.000 0.173 -0.262) 0.314 5.872 ( 0.000 -0.728 -0.105) 0.736 5.874 ( -0.000 -0.800 -0.039) 0.801 6.017 ( 0.000 0.145 0.393) 0.419 6.023 ( -0.000 0.193 0.670) 0.697 6.326 ( 0.000 -0.471 -0.627) 0.785 6.368 ( 0.000 -0.653 0.955) 1.157 6.856 ( 0.000 0.753 -0.056) 0.755 6.885 ( 0.000 0.632 1.016) 1.196 7.053 ( 0.000 0.665 0.329) 0.742 7.064 ( -0.000 0.579 0.872) 1.046 7.140 ( 0.000 0.048 -0.034) 0.059 7.142 ( -0.000 -0.025 0.160) 0.162 7.801 ( -0.000 -0.068 0.789) 0.792 7.821 ( 0.000 -0.136 1.643) 1.649 8.033 ( -0.000 0.390 -1.379) 1.433 8.041 ( 0.000 0.350 -0.963) 1.025 ======================= Grid point 75 (31/72) ======================= q-point: ( 0.00 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 0.000 1.881 -3.795) 4.236 0.982 ( 0.000 3.615 -0.532) 3.653 1.031 ( 0.000 6.559 3.362) 7.370 1.202 ( 0.000 1.541 -0.973) 1.822 1.222 ( 0.000 7.678 -3.834) 8.582 1.266 ( 0.000 -0.785 -6.767) 6.812 1.413 ( 0.000 1.628 -1.440) 2.173 1.416 ( 0.000 6.785 4.551) 8.170 1.485 ( 0.000 1.846 7.217) 7.449 1.492 ( 0.000 -1.426 -0.788) 1.629 1.682 ( 0.000 -2.883 -4.435) 5.289 1.723 ( 0.000 0.025 -1.218) 1.218 1.756 ( 0.000 0.006 8.451) 8.451 1.867 ( 0.000 -2.583 -2.505) 3.598 1.965 ( 0.000 2.036 -1.541) 2.553 2.005 ( 0.000 1.219 0.329) 1.263 2.046 ( 0.000 -0.504 -3.731) 3.765 2.159 ( 0.000 -0.267 -0.603) 0.659 2.184 ( 0.000 -2.404 -5.002) 5.549 2.213 ( 0.000 0.903 1.390) 1.657 2.238 ( 0.000 -0.640 -0.029) 0.641 2.321 ( 0.000 -5.661 -7.159) 9.126 2.410 ( 0.000 -0.702 2.613) 2.706 2.428 ( 0.000 -1.399 1.126) 1.796 2.460 ( 0.000 -0.371 4.673) 4.688 2.535 ( 0.000 1.173 -2.310) 2.591 2.584 ( 0.000 -1.557 2.107) 2.620 2.756 ( 0.000 -0.714 -0.507) 0.876 2.793 ( 0.000 -1.753 -0.258) 1.772 2.852 ( 0.000 -2.390 -3.284) 4.062 3.197 ( 0.000 -2.690 0.871) 2.828 3.206 ( 0.000 0.751 2.979) 3.072 3.375 ( 0.000 1.066 2.250) 2.490 3.422 ( 0.000 -0.978 1.554) 1.836 3.845 ( 0.000 -0.428 -4.526) 4.546 3.882 ( 0.000 -1.965 -3.195) 3.750 4.406 ( 0.000 -1.149 2.487) 2.740 4.441 ( 0.000 -1.279 3.051) 3.308 4.578 ( 0.000 0.102 0.055) 0.116 4.632 ( 0.000 -0.382 -0.419) 0.567 5.415 ( 0.000 0.191 0.260) 0.323 5.477 ( 0.000 0.473 -0.462) 0.661 5.611 ( 0.000 -0.246 0.065) 0.255 5.635 ( 0.000 -0.191 -0.171) 0.256 5.859 ( 0.000 -0.252 0.210) 0.328 5.868 ( 0.000 -0.793 -0.080) 0.797 5.967 ( 0.000 -0.197 1.108) 1.125 6.101 ( 0.000 0.442 -0.427) 0.614 6.280 ( 0.000 -1.100 0.335) 1.150 6.394 ( 0.000 0.287 -0.524) 0.597 6.874 ( 0.000 0.823 1.057) 1.339 6.915 ( 0.000 0.436 1.213) 1.289 7.025 ( 0.000 0.182 -0.077) 0.198 7.046 ( 0.000 0.154 -0.138) 0.206 7.112 ( 0.000 0.629 2.114) 2.206 7.239 ( 0.000 -0.277 0.380) 0.470 7.754 ( 0.000 0.242 0.911) 0.942 7.857 ( 0.000 -0.479 1.175) 1.269 7.924 ( 0.000 0.110 -0.545) 0.556 8.147 ( 0.000 0.497 -1.611) 1.686 ======================= Grid point 76 (32/72) ======================= q-point: ( 0.25 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 1.487 2.525 -4.217) 5.135 0.983 ( 0.472 6.966 -1.837) 7.220 1.109 ( 5.628 5.621 3.311) 8.616 1.210 ( -1.494 1.421 -6.952) 7.251 1.222 ( 0.802 1.213 0.438) 1.519 1.274 ( 3.286 2.346 -4.780) 6.257 1.388 ( -1.890 -0.234 0.206) 1.915 1.408 ( -0.996 4.061 0.347) 4.196 1.507 ( 1.969 1.686 -1.502) 2.996 1.532 ( 4.145 3.024 7.980) 9.487 1.647 ( -2.538 -1.199 -1.012) 2.984 1.712 ( -1.055 0.579 1.110) 1.637 1.777 ( 0.482 -2.109 4.590) 5.074 1.807 ( -5.169 -1.906 0.935) 5.589 1.955 ( -0.131 1.962 -3.011) 3.596 2.051 ( 0.643 -0.573 -4.845) 4.921 2.052 ( 2.967 0.258 0.083) 2.979 2.143 ( -1.098 -0.819 -0.858) 1.616 2.173 ( -0.369 -1.619 -4.428) 4.729 2.207 ( -0.564 0.163 0.800) 0.992 2.259 ( -1.007 -0.089 1.553) 1.853 2.298 ( -1.320 -4.313 -4.170) 6.143 2.406 ( -1.829 -0.452 2.418) 3.066 2.441 ( 0.788 -1.618 0.216) 1.812 2.450 ( 3.384 -0.434 1.885) 3.898 2.555 ( 0.405 -0.890 -0.061) 0.979 2.586 ( 0.218 -0.498 -0.203) 0.580 2.696 ( -5.082 -0.487 -3.602) 6.248 2.832 ( 6.031 -1.357 2.123) 6.536 2.944 ( 6.938 -2.661 -2.651) 7.890 3.111 ( -6.615 -0.103 1.770) 6.848 3.209 ( -3.099 -3.091 1.791) 4.730 3.373 ( -0.202 1.220 2.252) 2.569 3.392 ( -2.097 0.312 1.837) 2.805 3.849 ( 0.389 -0.745 -4.261) 4.343 3.873 ( -0.870 -1.879 -3.350) 3.938 4.411 ( 0.518 -1.161 2.582) 2.878 4.435 ( -0.580 -1.256 2.977) 3.283 4.586 ( 0.911 0.051 -0.029) 0.913 4.624 ( -0.813 -0.277 -0.355) 0.930 5.449 ( 3.569 0.138 0.268) 3.582 5.513 ( 3.534 0.361 -0.480) 3.585 5.589 ( -2.539 -0.162 0.166) 2.549 5.622 ( -1.477 -0.103 -0.201) 1.495 5.858 ( -0.040 -0.349 0.170) 0.390 5.865 ( -0.302 -0.735 -0.044) 0.795 5.981 ( 1.594 -0.103 0.877) 1.822 6.077 ( -2.570 0.370 -0.208) 2.605 6.295 ( 1.564 -0.823 0.131) 1.773 6.379 ( -1.638 -0.029 -0.220) 1.653 6.873 ( -0.057 0.814 0.752) 1.110 6.903 ( -0.899 0.336 1.095) 1.457 7.047 ( 1.412 0.476 0.324) 1.525 7.064 ( 2.421 0.121 -0.064) 2.425 7.104 ( -0.564 0.465 1.842) 1.982 7.208 ( -3.190 -0.188 0.389) 3.219 7.770 ( 1.710 0.154 0.999) 1.987 7.845 ( -1.454 -0.380 1.352) 2.021 7.961 ( 3.909 0.145 -0.858) 4.005 8.118 ( -3.184 0.425 -1.498) 3.545 ======================= Grid point 77 (33/72) ======================= q-point: (-0.50 0.36 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -0.000 7.057 -0.366) 7.066 0.990 ( 0.000 5.774 -7.439) 9.417 1.159 ( 0.000 4.082 3.799) 5.576 1.178 ( -0.000 -0.206 -7.002) 7.005 1.242 ( 0.000 0.568 -0.005) 0.568 1.332 ( -0.000 -0.640 -3.406) 3.466 1.369 ( 0.000 3.976 -4.321) 5.872 1.392 ( -0.000 2.853 2.572) 3.841 1.525 ( -0.000 2.071 0.232) 2.084 1.606 ( -0.000 -1.064 -2.573) 2.784 1.641 ( -0.000 1.715 4.009) 4.360 1.666 ( 0.000 2.188 1.698) 2.769 1.749 ( 0.000 -1.552 6.576) 6.757 1.769 ( 0.000 -3.044 5.573) 6.351 1.957 ( 0.000 1.398 -4.350) 4.570 2.050 ( 0.000 0.112 -4.221) 4.223 2.091 ( 0.000 -0.675 -0.052) 0.677 2.135 ( -0.000 -1.325 -1.585) 2.066 2.171 ( 0.000 -0.914 -4.652) 4.741 2.205 ( -0.000 0.156 0.373) 0.404 2.213 ( 0.000 -0.422 0.699) 0.816 2.289 ( 0.000 -2.671 -0.467) 2.711 2.411 ( 0.000 -0.749 2.608) 2.713 2.448 ( 0.000 -2.054 -0.243) 2.069 2.489 ( -0.000 -0.375 2.453) 2.481 2.552 ( 0.000 -2.280 1.736) 2.866 2.590 ( 0.000 0.760 -4.849) 4.908 2.639 ( -0.000 -0.572 -3.742) 3.785 2.949 ( -0.000 -0.526 -0.200) 0.563 2.994 ( 0.000 0.217 3.740) 3.746 3.048 ( 0.000 -3.665 -3.230) 4.885 3.129 ( 0.000 -3.729 2.636) 4.567 3.370 ( 0.000 1.442 2.350) 2.757 3.376 ( 0.000 0.925 2.038) 2.238 3.858 ( 0.000 -1.262 -3.695) 3.905 3.859 ( -0.000 -1.562 -3.824) 4.131 4.422 ( 0.000 -1.176 2.652) 2.902 4.424 ( -0.000 -1.229 2.926) 3.174 4.604 ( -0.000 -0.099 -0.303) 0.319 4.607 ( 0.000 -0.072 -0.099) 0.122 5.523 ( 0.000 0.019 0.148) 0.149 5.524 ( -0.000 -0.041 0.178) 0.183 5.580 ( 0.000 0.169 -0.275) 0.323 5.581 ( -0.000 0.091 -0.235) 0.252 5.859 ( 0.000 -0.544 0.054) 0.547 5.860 ( -0.000 -0.581 0.060) 0.584 6.020 ( 0.000 0.209 0.212) 0.298 6.026 ( -0.000 0.087 0.451) 0.460 6.321 ( 0.000 -0.058 -0.595) 0.598 6.352 ( 0.000 -0.833 0.604) 1.029 6.872 ( 0.000 0.812 0.359) 0.888 6.894 ( 0.000 0.272 1.180) 1.211 7.067 ( 0.000 0.672 0.628) 0.919 7.075 ( -0.000 0.465 1.015) 1.117 7.140 ( 0.000 -0.042 0.428) 0.430 7.141 ( -0.000 -0.082 0.524) 0.531 7.801 ( -0.000 0.071 0.918) 0.921 7.816 ( 0.000 -0.286 1.579) 1.605 8.041 ( 0.000 0.343 -1.375) 1.417 8.047 ( -0.000 0.196 -1.064) 1.082 ======================= Grid point 80 (34/72) ======================= q-point: ( 0.00 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 0.000 -1.139 1.943) 2.253 1.094 ( 0.000 3.352 -5.858) 6.749 1.123 ( 0.000 2.325 2.258) 3.241 1.221 ( 0.000 0.315 -6.174) 6.182 1.254 ( 0.000 -0.339 -5.693) 5.703 1.349 ( 0.000 4.227 -2.929) 5.143 1.445 ( 0.000 1.386 3.570) 3.830 1.464 ( 0.000 -1.310 -0.463) 1.390 1.496 ( 0.000 -0.437 1.270) 1.343 1.542 ( 0.000 5.101 0.818) 5.166 1.619 ( 0.000 -2.922 -4.023) 4.972 1.734 ( 0.000 0.812 -0.980) 1.272 1.762 ( 0.000 0.333 9.273) 9.279 1.804 ( 0.000 -2.973 -0.639) 3.041 1.992 ( 0.000 0.645 -1.401) 1.543 2.022 ( 0.000 0.277 -4.692) 4.700 2.048 ( 0.000 0.557 -4.655) 4.688 2.154 ( 0.000 -0.172 0.560) 0.586 2.155 ( 0.000 -0.349 -3.223) 3.242 2.219 ( 0.000 -0.911 2.808) 2.952 2.228 ( 0.000 -2.950 -8.053) 8.576 2.230 ( 0.000 0.466 0.029) 0.467 2.398 ( 0.000 -0.423 2.115) 2.157 2.411 ( 0.000 -0.299 0.693) 0.755 2.458 ( 0.000 0.017 3.890) 3.890 2.538 ( 0.000 -0.390 2.563) 2.593 2.573 ( 0.000 0.126 -2.977) 2.980 2.741 ( 0.000 -0.582 2.081) 2.161 2.766 ( 0.000 -0.726 -0.090) 0.732 2.820 ( 0.000 -0.780 -5.757) 5.810 3.157 ( 0.000 -1.081 1.115) 1.553 3.216 ( 0.000 0.288 2.933) 2.947 3.394 ( 0.000 0.718 2.526) 2.626 3.405 ( 0.000 -0.574 1.942) 2.025 3.840 ( 0.000 -0.153 -4.635) 4.638 3.857 ( 0.000 -0.596 -2.690) 2.755 4.390 ( 0.000 -0.418 2.610) 2.643 4.423 ( 0.000 -0.453 2.951) 2.985 4.578 ( 0.000 -0.007 0.025) 0.026 4.626 ( 0.000 -0.137 -0.494) 0.513 5.418 ( 0.000 0.077 0.301) 0.310 5.484 ( 0.000 0.167 -0.408) 0.441 5.608 ( 0.000 -0.088 -0.017) 0.089 5.632 ( 0.000 -0.074 -0.213) 0.226 5.855 ( 0.000 -0.097 0.237) 0.256 5.857 ( 0.000 -0.290 -0.018) 0.291 5.965 ( 0.000 -0.056 1.068) 1.070 6.107 ( 0.000 0.160 -0.480) 0.506 6.265 ( 0.000 -0.413 0.554) 0.691 6.398 ( 0.000 0.101 -0.924) 0.930 6.886 ( 0.000 0.345 1.410) 1.451 6.921 ( 0.000 0.138 1.298) 1.306 7.028 ( 0.000 0.085 -0.086) 0.121 7.048 ( 0.000 0.044 0.047) 0.064 7.121 ( 0.000 0.247 2.250) 2.264 7.235 ( 0.000 -0.123 0.779) 0.789 7.758 ( 0.000 0.098 0.901) 0.907 7.850 ( 0.000 -0.195 1.198) 1.213 7.926 ( 0.000 0.035 -0.548) 0.549 8.154 ( 0.000 0.183 -1.674) 1.684 ======================= Grid point 81 (35/72) ======================= q-point: ( 0.25 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 5.367 -0.269 0.364) 5.386 1.105 ( 1.198 3.610 -6.034) 7.133 1.196 ( -1.473 0.677 -7.915) 8.079 1.226 ( 4.910 2.626 -2.761) 6.215 1.241 ( 0.739 0.604 0.609) 1.132 1.306 ( -1.539 -0.405 -0.277) 1.615 1.369 ( -4.383 -0.764 0.596) 4.489 1.501 ( -0.139 3.928 -2.584) 4.704 1.542 ( 4.613 1.595 1.859) 5.223 1.588 ( 3.838 1.671 1.883) 4.590 1.619 ( 0.179 -1.296 -1.573) 2.046 1.722 ( -1.437 0.453 0.323) 1.541 1.738 ( -3.017 -1.429 4.326) 5.464 1.765 ( -3.499 -1.902 3.252) 5.142 1.989 ( -0.174 1.403 -3.192) 3.491 2.030 ( 1.126 -1.819 -4.488) 4.972 2.044 ( -0.281 0.089 -5.228) 5.236 2.131 ( -2.405 -0.368 -1.805) 3.029 2.166 ( 0.979 0.223 -2.687) 2.869 2.212 ( -0.461 0.139 1.674) 1.741 2.219 ( -0.291 -1.843 -3.140) 3.653 2.262 ( 1.620 -0.413 1.952) 2.570 2.399 ( -2.690 -0.083 2.378) 3.591 2.414 ( 0.521 -0.919 1.796) 2.084 2.450 ( 3.222 0.176 0.545) 3.272 2.531 ( -0.874 -0.823 2.896) 3.134 2.589 ( 0.966 0.251 -3.227) 3.378 2.687 ( -5.033 -0.261 -3.483) 6.126 2.812 ( 7.357 -0.529 2.451) 7.773 2.903 ( 5.992 -1.097 -3.214) 6.887 3.111 ( -4.918 0.039 0.998) 5.018 3.163 ( -6.094 -1.309 2.796) 6.832 3.393 ( -0.172 0.572 2.291) 2.368 3.397 ( -0.597 0.120 2.305) 2.384 3.839 ( -0.042 -0.251 -4.282) 4.289 3.848 ( -0.717 -0.585 -2.926) 3.069 4.395 ( 0.499 -0.422 2.687) 2.765 4.418 ( -0.554 -0.448 2.912) 2.998 4.586 ( 0.846 -0.019 -0.056) 0.849 4.620 ( -0.690 -0.111 -0.426) 0.819 5.451 ( 3.480 0.054 0.284) 3.492 5.518 ( 3.346 0.124 -0.454) 3.378 5.587 ( -2.397 -0.059 0.118) 2.401 5.621 ( -1.347 -0.041 -0.229) 1.367 5.853 ( -0.181 -0.129 0.240) 0.327 5.854 ( -0.207 -0.269 0.036) 0.342 5.980 ( 1.743 -0.024 0.802) 1.919 6.082 ( -2.689 0.135 -0.285) 2.707 6.283 ( 2.027 -0.308 0.366) 2.083 6.378 ( -2.149 -0.018 -0.634) 2.241 6.886 ( 0.018 0.386 1.173) 1.235 6.907 ( -1.084 0.049 1.032) 1.497 7.056 ( 1.315 0.322 0.377) 1.406 7.064 ( 2.985 -0.095 0.170) 2.991 7.111 ( -0.941 0.194 1.964) 2.187 7.205 ( -3.069 -0.088 0.734) 3.157 7.773 ( 1.586 0.066 1.030) 1.892 7.839 ( -1.319 -0.162 1.352) 1.896 7.963 ( 3.977 0.050 -0.864) 4.070 8.124 ( -3.294 0.156 -1.554) 3.645 ======================= Grid point 82 (36/72) ======================= q-point: (-0.50 0.45 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -0.000 2.685 -7.460) 7.929 1.089 ( 0.000 2.101 -1.797) 2.764 1.172 ( 0.000 0.361 -6.741) 6.750 1.191 ( -0.000 -0.513 -0.148) 0.534 1.272 ( -0.000 2.135 0.191) 2.144 1.309 ( 0.000 -1.457 -1.456) 2.059 1.433 ( -0.000 1.525 -0.100) 1.528 1.442 ( 0.000 1.611 -1.084) 1.942 1.596 ( -0.000 4.256 0.833) 4.337 1.608 ( 0.000 2.136 -4.339) 4.836 1.672 ( -0.000 -1.848 -0.046) 1.848 1.673 ( 0.000 0.326 -0.151) 0.360 1.699 ( -0.000 -2.566 8.379) 8.763 1.717 ( -0.000 -1.545 5.737) 5.941 1.988 ( 0.000 1.875 -4.616) 4.982 2.038 ( 0.000 -2.669 -3.991) 4.801 2.058 ( 0.000 0.318 -6.507) 6.514 2.092 ( -0.000 -2.425 -4.625) 5.223 2.180 ( 0.000 1.383 0.846) 1.621 2.201 ( 0.000 -0.562 2.095) 2.169 2.229 ( 0.000 1.159 0.794) 1.405 2.253 ( -0.000 -1.235 -0.547) 1.351 2.398 ( 0.000 -0.207 2.907) 2.914 2.411 ( 0.000 -1.423 1.834) 2.321 2.493 ( -0.000 0.693 2.322) 2.423 2.514 ( 0.000 -1.437 1.813) 2.313 2.607 ( 0.000 0.899 -4.838) 4.920 2.625 ( -0.000 -0.812 -4.392) 4.466 2.951 ( -0.000 0.788 -0.920) 1.212 2.982 ( 0.000 -2.276 -0.709) 2.384 3.015 ( 0.000 1.374 1.888) 2.335 3.059 ( 0.000 -2.941 2.800) 4.061 3.391 ( 0.000 0.533 2.447) 2.505 3.391 ( -0.000 0.474 2.257) 2.306 3.839 ( 0.000 -0.445 -3.602) 3.629 3.840 ( -0.000 -0.468 -3.500) 3.532 4.406 ( 0.000 -0.405 2.765) 2.795 4.406 ( -0.000 -0.465 2.871) 2.909 4.603 ( -0.000 0.019 -0.299) 0.300 4.605 ( 0.000 -0.134 -0.198) 0.239 5.523 ( 0.000 0.004 0.114) 0.114 5.523 ( -0.000 -0.016 0.116) 0.117 5.582 ( 0.000 0.065 -0.225) 0.234 5.582 ( -0.000 0.019 -0.219) 0.220 5.851 ( -0.071 -0.206 0.158) 0.270 5.851 ( 0.071 -0.206 0.159) 0.270 6.024 ( 0.000 0.173 0.180) 0.250 6.027 ( -0.000 -0.052 0.274) 0.279 6.324 ( 0.000 0.394 -0.308) 0.500 6.336 ( -0.000 -0.734 0.138) 0.747 6.887 ( -0.000 0.602 0.773) 0.979 6.895 ( 0.000 -0.195 1.081) 1.098 7.078 ( 0.000 0.397 0.902) 0.986 7.081 ( -0.000 0.091 1.049) 1.053 7.139 ( 0.000 -0.041 0.686) 0.688 7.139 ( -0.000 -0.056 0.718) 0.720 7.804 ( -0.000 0.225 1.148) 1.170 7.810 ( 0.000 -0.319 1.398) 1.434 8.046 ( 0.000 0.202 -1.308) 1.323 8.048 ( -0.000 -0.006 -1.193) 1.193 ======================= Grid point 110 (37/72) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 0.000 0.000 13.860) 13.860 0.671 ( 0.000 0.000 17.271) 17.271 0.999 ( 0.000 0.000 13.347) 13.347 1.178 ( 0.000 0.000 6.659) 6.659 1.212 ( 0.000 0.000 11.411) 11.411 1.244 ( 0.000 0.000 1.478) 1.478 1.316 ( 0.000 0.000 13.529) 13.529 1.320 ( 0.000 0.000 0.380) 0.380 1.617 ( 0.000 0.000 -13.119) 13.119 1.620 ( 0.000 0.000 8.925) 8.925 1.665 ( 0.000 0.000 -0.511) 0.511 1.714 ( 0.000 0.000 -4.370) 4.370 1.772 ( 0.000 0.000 -2.312) 2.312 1.807 ( 0.000 0.000 4.993) 4.993 1.840 ( 0.000 0.000 1.844) 1.844 1.902 ( 0.000 0.000 -6.019) 6.019 2.119 ( 0.000 0.000 -1.305) 1.305 2.148 ( 0.000 0.000 -0.327) 0.327 2.229 ( 0.000 0.000 2.027) 2.027 2.325 ( 0.000 0.000 5.094) 5.094 2.364 ( 0.000 0.000 2.465) 2.465 2.377 ( 0.000 0.000 3.328) 3.328 2.411 ( 0.000 0.000 -3.468) 3.468 2.496 ( 0.000 0.000 -0.968) 0.968 2.522 ( 0.000 0.000 -3.741) 3.741 2.656 ( 0.000 0.000 -5.642) 5.642 2.672 ( 0.000 0.000 3.944) 3.944 2.698 ( 0.000 0.000 -1.195) 1.195 2.858 ( 0.000 0.000 -2.342) 2.342 2.961 ( 0.000 0.000 -1.191) 1.191 3.272 ( 0.000 0.000 7.990) 7.990 3.345 ( 0.000 0.000 -2.543) 2.543 3.375 ( 0.000 0.000 -0.461) 0.461 3.538 ( 0.000 0.000 3.406) 3.406 3.766 ( 0.000 0.000 -7.403) 7.403 3.947 ( 0.000 0.000 -8.997) 8.997 4.540 ( 0.000 0.000 1.549) 1.549 4.549 ( 0.000 0.000 0.457) 0.457 4.645 ( 0.000 0.000 1.962) 1.962 4.756 ( 0.000 0.000 -1.891) 1.891 5.403 ( 0.000 0.000 -0.006) 0.006 5.421 ( 0.000 0.000 -0.722) 0.722 5.645 ( 0.000 0.000 0.630) 0.630 5.652 ( 0.000 0.000 0.206) 0.206 5.889 ( 0.000 0.000 0.613) 0.613 5.916 ( 0.000 0.000 -0.645) 0.645 6.026 ( 0.000 0.000 1.329) 1.329 6.066 ( 0.000 0.000 0.442) 0.442 6.375 ( 0.000 0.000 0.959) 0.959 6.381 ( 0.000 0.000 0.253) 0.253 6.831 ( 0.000 0.000 0.332) 0.332 6.865 ( 0.000 0.000 -0.608) 0.608 7.018 ( 0.000 0.000 -0.202) 0.202 7.026 ( 0.000 0.000 0.007) 0.007 7.076 ( 0.000 0.000 1.092) 1.092 7.208 ( 0.000 0.000 -2.907) 2.907 7.773 ( 0.000 0.000 2.138) 2.138 7.892 ( 0.000 0.000 -1.191) 1.191 7.916 ( 0.000 0.000 1.942) 1.942 8.071 ( 0.000 0.000 -2.415) 2.415 ======================= Grid point 111 (38/72) ======================= q-point: ( 0.25 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 6.389 0.000 12.634) 14.158 0.754 ( 8.963 0.000 13.435) 16.150 1.002 ( -12.053 0.000 9.167) 15.143 1.030 ( 2.144 0.000 13.083) 13.258 1.201 ( 0.478 0.000 -2.130) 2.183 1.245 ( -7.594 0.000 -1.294) 7.704 1.382 ( 6.521 0.000 15.585) 16.894 1.458 ( -6.268 0.000 -4.055) 7.465 1.469 ( 13.701 0.000 6.090) 14.993 1.565 ( -5.453 0.000 0.896) 5.526 1.681 ( -2.018 0.000 2.240) 3.015 1.773 ( 0.097 0.000 2.120) 2.122 1.813 ( 3.966 0.000 -1.592) 4.274 1.837 ( 2.241 0.000 -1.517) 2.706 1.861 ( 3.042 0.000 2.087) 3.689 1.909 ( -0.264 0.000 0.788) 0.831 2.109 ( -0.734 0.000 -0.985) 1.228 2.153 ( 1.353 0.000 -1.528) 2.041 2.233 ( 0.171 0.000 1.144) 1.157 2.278 ( -3.640 0.000 4.127) 5.503 2.310 ( -3.827 0.000 1.465) 4.097 2.396 ( 1.301 0.000 0.230) 1.321 2.411 ( -0.098 0.000 -3.071) 3.073 2.528 ( -0.872 0.000 -0.200) 0.895 2.552 ( 3.290 0.000 -2.133) 3.921 2.573 ( -4.229 0.000 -5.624) 7.037 2.656 ( -1.518 0.000 2.618) 3.027 2.681 ( -1.902 0.000 -0.967) 2.133 2.932 ( 6.430 0.000 -2.194) 6.794 3.019 ( 5.650 0.000 -1.316) 5.801 3.208 ( -5.024 0.000 4.665) 6.856 3.341 ( -4.653 0.000 0.217) 4.658 3.379 ( 2.261 0.000 0.479) 2.311 3.475 ( -5.004 0.000 2.456) 5.574 3.806 ( 3.643 0.000 -7.291) 8.150 3.926 ( -2.264 0.000 -8.723) 9.012 4.556 ( 1.879 0.000 1.704) 2.536 4.564 ( 1.515 0.000 0.525) 1.604 4.632 ( -1.360 0.000 1.761) 2.225 4.701 ( -5.136 0.000 0.452) 5.156 5.442 ( 4.127 0.000 0.154) 4.130 5.464 ( 4.498 0.000 -0.711) 4.554 5.612 ( -3.547 0.000 0.624) 3.602 5.627 ( -2.825 0.000 -0.020) 2.825 5.896 ( 0.643 0.000 0.454) 0.787 5.913 ( -0.296 0.000 -0.419) 0.513 6.025 ( 0.109 0.000 1.377) 1.381 6.056 ( -1.054 0.000 0.645) 1.236 6.379 ( 0.331 0.000 0.907) 0.966 6.382 ( 0.101 0.000 0.440) 0.451 6.831 ( 0.127 0.000 0.089) 0.155 6.853 ( -1.038 0.000 -0.535) 1.168 7.031 ( 0.588 0.000 0.194) 0.619 7.042 ( 2.050 0.000 -0.171) 2.057 7.071 ( -0.005 0.000 0.532) 0.532 7.178 ( -3.077 0.000 -2.445) 3.930 7.795 ( 2.313 0.000 2.177) 3.176 7.893 ( -1.851 0.000 1.781) 2.569 7.927 ( 2.922 0.000 -1.243) 3.175 8.049 ( -2.427 0.000 -2.309) 3.350 ======================= Grid point 112 (39/72) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -10.397 0.000 10.576) 14.831 0.800 ( 10.397 0.000 10.576) 14.831 0.950 ( -11.231 0.000 10.254) 15.208 0.950 ( 11.231 0.000 10.254) 15.208 1.189 ( -1.553 0.000 -1.453) 2.126 1.189 ( 1.553 0.000 -1.453) 2.126 1.410 ( -0.109 0.000 -1.450) 1.454 1.410 ( 0.109 0.000 -1.450) 1.454 1.597 ( -6.490 0.000 8.636) 10.803 1.597 ( 6.490 0.000 8.636) 10.803 1.692 ( -8.412 0.000 4.416) 9.500 1.692 ( 8.412 0.000 4.416) 9.500 1.856 ( -0.092 0.000 -0.217) 0.236 1.856 ( 0.092 0.000 -0.217) 0.236 1.898 ( -0.199 0.000 3.079) 3.085 1.898 ( 0.199 0.000 3.079) 3.085 2.121 ( -2.907 0.000 0.959) 3.061 2.121 ( 2.907 0.000 0.959) 3.061 2.235 ( -0.685 0.000 2.488) 2.580 2.235 ( 0.685 0.000 2.488) 2.580 2.376 ( -8.648 0.000 -5.291) 10.139 2.376 ( 8.648 0.000 -5.291) 10.139 2.413 ( -0.414 0.000 -2.681) 2.713 2.413 ( 0.414 0.000 -2.681) 2.713 2.599 ( -0.138 0.000 -0.361) 0.386 2.599 ( 0.138 0.000 -0.361) 0.386 2.639 ( -1.336 0.000 0.172) 1.347 2.639 ( 1.336 0.000 0.172) 1.347 3.044 ( -5.181 0.000 -2.089) 5.586 3.044 ( 5.181 0.000 -2.089) 5.586 3.213 ( -7.359 0.000 2.818) 7.880 3.213 ( 7.359 0.000 2.818) 7.880 3.415 ( -1.353 0.000 1.328) 1.896 3.415 ( 1.353 0.000 1.328) 1.896 3.873 ( -3.401 0.000 -8.009) 8.701 3.873 ( 3.401 0.000 -8.009) 8.701 4.592 ( -0.296 0.000 0.720) 0.779 4.592 ( 0.296 0.000 0.720) 0.779 4.618 ( -2.459 0.000 2.328) 3.386 4.618 ( 2.459 0.000 2.328) 3.386 5.529 ( -4.700 0.000 0.237) 4.706 5.529 ( 4.700 0.000 0.237) 4.706 5.557 ( -4.489 0.000 -0.244) 4.495 5.557 ( 4.489 0.000 -0.244) 4.495 5.906 ( -0.420 0.000 0.062) 0.424 5.906 ( 0.420 0.000 0.062) 0.424 6.035 ( -1.014 0.000 1.087) 1.486 6.035 ( 1.014 0.000 1.087) 1.486 6.383 ( -0.004 0.000 0.761) 0.761 6.383 ( 0.004 0.000 0.761) 0.761 6.837 ( -0.315 0.000 -0.328) 0.455 6.837 ( 0.315 0.000 -0.328) 0.455 7.045 ( -0.634 0.000 0.597) 0.871 7.045 ( 0.634 0.000 0.597) 0.871 7.114 ( -3.784 0.000 -1.479) 4.062 7.114 ( 3.784 0.000 -1.479) 4.062 7.845 ( -3.000 0.000 2.149) 3.691 7.845 ( 3.000 0.000 2.149) 3.691 7.992 ( -3.817 0.000 -1.983) 4.301 7.992 ( 3.817 0.000 -1.983) 4.301 ======================= Grid point 115 (40/72) ======================= q-point: ( 0.00 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 1.007 13.310) 13.348 0.727 ( 0.000 5.163 15.052) 15.913 0.994 ( 0.000 -0.379 12.262) 12.268 1.170 ( 0.000 -0.998 1.742) 2.008 1.221 ( 0.000 -2.244 0.450) 2.289 1.229 ( 0.000 1.935 10.021) 10.206 1.305 ( 0.000 -1.135 1.765) 2.099 1.353 ( 0.000 3.255 14.860) 15.212 1.598 ( 0.000 -1.807 7.894) 8.099 1.611 ( 0.000 -0.670 -11.672) 11.691 1.648 ( 0.000 -1.517 0.610) 1.635 1.737 ( 0.000 2.115 -4.053) 4.572 1.794 ( 0.000 1.842 -0.718) 1.976 1.806 ( 0.000 -0.650 2.999) 3.069 1.859 ( 0.000 1.992 0.943) 2.204 1.894 ( 0.000 -0.656 -5.553) 5.591 2.107 ( 0.000 -0.705 0.154) 0.722 2.157 ( 0.000 0.184 -0.854) 0.874 2.220 ( 0.000 -0.634 1.583) 1.705 2.274 ( 0.000 -2.761 3.573) 4.516 2.321 ( 0.000 -3.062 -0.063) 3.062 2.414 ( 0.000 1.662 3.241) 3.642 2.441 ( 0.000 1.645 -1.246) 2.063 2.500 ( 0.000 0.318 -0.164) 0.358 2.515 ( 0.000 -1.286 -5.455) 5.605 2.649 ( 0.000 -0.926 -6.080) 6.150 2.657 ( 0.000 -1.364 4.229) 4.444 2.693 ( 0.000 0.027 0.233) 0.234 2.854 ( 0.000 -0.435 -2.308) 2.349 2.958 ( 0.000 -0.353 -1.564) 1.603 3.271 ( 0.000 -0.019 7.751) 7.751 3.328 ( 0.000 -1.201 -1.033) 1.584 3.388 ( 0.000 0.740 -0.696) 1.016 3.524 ( 0.000 -1.312 3.330) 3.579 3.763 ( 0.000 -0.341 -7.428) 7.436 3.929 ( 0.000 -1.729 -8.818) 8.986 4.532 ( 0.000 -0.745 1.759) 1.910 4.554 ( 0.000 0.437 0.344) 0.556 4.636 ( 0.000 -0.925 2.119) 2.312 4.716 ( 0.000 -3.270 -0.358) 3.289 5.405 ( 0.000 0.167 0.048) 0.174 5.425 ( 0.000 0.446 -0.746) 0.869 5.642 ( 0.000 -0.315 0.583) 0.663 5.650 ( 0.000 -0.196 0.158) 0.252 5.886 ( 0.000 -0.288 0.596) 0.662 5.912 ( 0.000 -0.366 -0.582) 0.687 6.021 ( 0.000 -0.457 1.482) 1.551 6.068 ( 0.000 0.181 0.116) 0.215 6.360 ( 0.000 -1.040 0.650) 1.226 6.388 ( 0.000 0.239 0.393) 0.460 6.835 ( 0.000 0.459 0.479) 0.664 6.874 ( 0.000 0.820 -0.430) 0.926 7.017 ( 0.000 -0.033 -0.097) 0.102 7.027 ( 0.000 0.113 -0.095) 0.147 7.086 ( 0.000 0.941 1.277) 1.586 7.212 ( 0.000 0.385 -2.600) 2.628 7.773 ( 0.000 -0.020 2.108) 2.108 7.891 ( 0.000 -0.090 -1.137) 1.141 7.918 ( 0.000 0.102 1.892) 1.895 8.075 ( 0.000 0.326 -2.453) 2.474 ======================= Grid point 116 (41/72) ======================= q-point: ( 0.25 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( 5.966 0.631 12.299) 13.684 0.803 ( 8.050 4.479 12.061) 15.177 0.954 ( -6.994 -2.282 10.039) 12.446 1.093 ( -1.887 3.950 9.957) 10.877 1.188 ( 0.346 -1.190 -3.530) 3.741 1.242 ( -6.279 -0.281 -0.815) 6.338 1.391 ( 2.424 -0.445 7.003) 7.424 1.421 ( 6.429 -1.140 5.715) 8.678 1.503 ( 2.927 2.064 3.134) 4.759 1.555 ( -4.485 -0.740 2.559) 5.216 1.696 ( -1.005 0.911 1.994) 2.412 1.738 ( -0.480 -2.369 -0.090) 2.418 1.819 ( 3.374 0.132 -0.909) 3.497 1.858 ( 0.353 0.811 -0.113) 0.891 1.874 ( 3.707 2.014 -0.613) 4.263 1.907 ( 0.771 -0.186 1.834) 1.998 2.102 ( -0.016 -0.452 -0.760) 0.884 2.155 ( 0.168 -0.259 -0.660) 0.729 2.222 ( -0.162 -0.891 0.886) 1.267 2.251 ( -1.207 -1.522 2.161) 2.906 2.321 ( -2.470 -0.046 0.633) 2.550 2.360 ( -1.393 -1.363 -0.272) 1.968 2.449 ( 0.223 1.628 -2.240) 2.778 2.525 ( -0.335 -1.014 -0.982) 1.451 2.541 ( 0.032 -1.013 -2.265) 2.482 2.566 ( -2.302 -0.528 -4.076) 4.711 2.649 ( -1.414 -0.566 1.836) 2.385 2.677 ( -1.424 -0.165 0.245) 1.454 2.924 ( 6.192 -0.740 -2.027) 6.557 3.015 ( 5.485 -0.446 -2.041) 5.869 3.203 ( -5.088 -0.462 4.677) 6.926 3.346 ( -3.410 0.504 0.764) 3.531 3.371 ( 0.555 -0.695 0.824) 1.213 3.467 ( -4.085 -0.782 2.757) 4.990 3.797 ( 3.190 -0.795 -7.272) 7.981 3.910 ( -2.066 -1.582 -8.545) 8.933 4.546 ( 1.608 -0.896 1.923) 2.662 4.568 ( 1.491 0.349 0.382) 1.578 4.623 ( -1.408 -0.973 2.028) 2.654 4.674 ( -3.880 -2.091 0.831) 4.485 5.444 ( 4.098 0.141 0.198) 4.105 5.468 ( 4.439 0.388 -0.725) 4.515 5.610 ( -3.425 -0.175 0.586) 3.479 5.627 ( -2.679 -0.070 -0.066) 2.681 5.891 ( 0.515 -0.429 0.420) 0.791 5.908 ( -0.373 -0.427 -0.396) 0.691 6.022 ( 0.291 -0.283 1.407) 1.465 6.057 ( -1.146 0.096 0.430) 1.228 6.362 ( 0.179 -1.066 0.728) 1.303 6.390 ( 0.216 0.217 0.453) 0.547 6.834 ( -0.060 0.348 0.232) 0.422 6.863 ( -0.886 0.882 -0.380) 1.306 7.031 ( 0.699 0.037 0.178) 0.722 7.044 ( 2.111 0.170 -0.184) 2.126 7.081 ( -0.143 0.869 0.779) 1.176 7.182 ( -3.069 0.386 -2.169) 3.778 7.794 ( 2.283 -0.035 2.144) 3.132 7.892 ( -1.711 -0.045 1.738) 2.440 7.929 ( 2.868 0.131 -1.192) 3.109 8.052 ( -2.462 0.293 -2.337) 3.408 ======================= Grid point 117 (42/72) ======================= q-point: (-0.50 0.09 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 0.000 -1.084 10.999) 11.053 0.800 ( -0.000 -0.258 10.245) 10.248 0.984 ( 0.000 3.582 11.221) 11.779 0.992 ( -0.000 3.440 6.404) 7.269 1.191 ( -0.000 0.103 -1.289) 1.293 1.192 ( 0.000 0.331 -2.504) 2.525 1.388 ( 0.000 -0.652 -1.238) 1.400 1.415 ( 0.000 -1.056 -1.376) 1.735 1.584 ( -0.000 -0.294 9.474) 9.478 1.635 ( 0.000 2.077 5.047) 5.458 1.649 ( -0.000 -1.552 4.821) 5.065 1.694 ( 0.000 -1.619 4.222) 4.521 1.857 ( 0.000 0.912 -1.839) 2.053 1.860 ( 0.000 -0.966 -0.510) 1.092 1.902 ( 0.000 1.129 3.960) 4.117 1.920 ( 0.000 1.640 3.390) 3.766 2.120 ( 0.000 -0.274 0.973) 1.011 2.120 ( -0.000 0.100 0.515) 0.524 2.218 ( 0.000 -1.094 0.959) 1.454 2.231 ( -0.000 -0.698 3.787) 3.851 2.348 ( 0.000 -2.547 -2.981) 3.921 2.372 ( -0.000 0.051 -6.342) 6.342 2.402 ( 0.000 0.429 -4.207) 4.229 2.452 ( 0.000 1.416 -3.221) 3.519 2.550 ( 0.000 -3.319 0.040) 3.319 2.615 ( -0.000 0.218 -0.408) 0.462 2.629 ( 0.000 -0.473 1.290) 1.374 2.648 ( 0.000 0.268 0.048) 0.272 3.029 ( 0.000 -1.189 -1.368) 1.812 3.041 ( 0.000 -0.615 -3.080) 3.141 3.195 ( -0.000 -0.929 2.895) 3.041 3.234 ( 0.000 1.088 2.295) 2.540 3.386 ( 0.000 -1.291 2.153) 2.511 3.434 ( -0.000 0.320 1.847) 1.874 3.847 ( 0.000 -1.666 -7.778) 7.955 3.871 ( -0.000 -0.925 -7.956) 8.010 4.579 ( 0.000 -0.888 1.415) 1.670 4.591 ( -0.000 -1.715 2.273) 2.848 4.599 ( 0.000 0.159 0.838) 0.853 4.619 ( -0.000 -0.433 1.609) 1.667 5.528 ( 0.000 0.019 0.331) 0.332 5.532 ( -0.000 0.187 0.376) 0.420 5.555 ( 0.000 0.029 -0.381) 0.382 5.561 ( -0.000 0.231 -0.390) 0.453 5.899 ( 0.000 -0.580 0.038) 0.581 5.902 ( -0.000 -0.468 0.017) 0.468 6.033 ( 0.000 -0.146 0.999) 1.010 6.036 ( 0.000 0.022 1.021) 1.021 6.364 ( 0.000 -1.074 0.820) 1.351 6.393 ( 0.000 0.194 0.523) 0.558 6.834 ( 0.000 0.166 -0.067) 0.179 6.853 ( 0.000 1.021 -0.305) 1.066 7.041 ( 0.000 0.070 0.476) 0.481 7.055 ( -0.000 0.603 0.765) 0.974 7.114 ( 0.000 0.281 -1.448) 1.475 7.123 ( -0.000 0.555 -1.066) 1.202 7.837 ( -0.000 -0.367 2.084) 2.116 7.854 ( 0.000 0.350 2.220) 2.247 7.989 ( -0.000 -0.001 -2.117) 2.117 7.998 ( 0.000 0.383 -1.889) 1.927 ======================= Grid point 120 (43/72) ======================= q-point: ( 0.00 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 0.000 4.408 9.673) 10.630 0.858 ( 0.000 7.249 10.747) 12.963 0.995 ( 0.000 0.888 8.201) 8.249 1.137 ( 0.000 -2.108 0.413) 2.148 1.163 ( 0.000 -3.117 -2.512) 4.003 1.276 ( 0.000 -1.535 0.796) 1.729 1.294 ( 0.000 4.443 8.127) 9.262 1.418 ( 0.000 1.827 11.467) 11.612 1.576 ( 0.000 0.478 9.027) 9.039 1.588 ( 0.000 -1.759 -4.893) 5.200 1.611 ( 0.000 -1.984 -3.349) 3.893 1.774 ( 0.000 -2.283 -2.597) 3.458 1.785 ( 0.000 2.245 -3.622) 4.261 1.836 ( 0.000 2.190 0.636) 2.281 1.878 ( 0.000 -0.476 0.421) 0.636 1.916 ( 0.000 2.896 -2.257) 3.672 2.094 ( 0.000 -0.858 1.811) 2.004 2.143 ( 0.000 -1.287 -0.854) 1.544 2.209 ( 0.000 -0.656 -0.472) 0.808 2.239 ( 0.000 -0.803 0.766) 1.109 2.256 ( 0.000 -2.999 -0.397) 3.025 2.437 ( 0.000 0.558 1.301) 1.416 2.451 ( 0.000 -4.562 -6.247) 7.736 2.462 ( 0.000 0.373 -0.446) 0.581 2.503 ( 0.000 -0.202 1.306) 1.321 2.622 ( 0.000 -1.931 4.735) 5.113 2.625 ( 0.000 -1.257 -5.459) 5.602 2.704 ( 0.000 0.828 0.121) 0.836 2.838 ( 0.000 -1.109 -2.152) 2.421 2.940 ( 0.000 -1.618 -2.159) 2.698 3.273 ( 0.000 0.172 7.126) 7.128 3.306 ( 0.000 -0.945 1.006) 1.380 3.396 ( 0.000 0.132 0.565) 0.580 3.493 ( 0.000 -1.503 2.773) 3.154 3.753 ( 0.000 -0.588 -7.481) 7.504 3.882 ( 0.000 -2.670 -8.104) 8.533 4.512 ( 0.000 -1.174 2.301) 2.583 4.564 ( 0.000 0.506 0.060) 0.510 4.600 ( 0.000 -2.636 3.173) 4.125 4.660 ( 0.000 -1.792 0.067) 1.793 5.409 ( 0.000 0.297 0.188) 0.351 5.437 ( 0.000 0.711 -0.789) 1.062 5.633 ( 0.000 -0.502 0.466) 0.685 5.645 ( 0.000 -0.340 0.024) 0.340 5.878 ( 0.000 -0.410 0.492) 0.640 5.900 ( 0.000 -0.764 -0.399) 0.861 6.011 ( 0.000 -0.514 1.603) 1.683 6.073 ( 0.000 0.315 -0.372) 0.487 6.336 ( 0.000 -1.202 0.613) 1.350 6.389 ( 0.000 -0.132 0.009) 0.132 6.850 ( 0.000 1.025 0.879) 1.350 6.895 ( 0.000 1.215 0.002) 1.215 7.018 ( 0.000 0.113 0.064) 0.130 7.031 ( 0.000 0.288 -0.182) 0.341 7.110 ( 0.000 1.312 1.719) 2.163 7.222 ( 0.000 0.596 -1.813) 1.909 7.773 ( 0.000 0.060 1.981) 1.982 7.888 ( 0.000 -0.211 -0.910) 0.934 7.920 ( 0.000 0.107 1.755) 1.758 8.083 ( 0.000 0.518 -2.568) 2.620 ======================= Grid point 121 (44/72) ======================= q-point: ( 0.25 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 4.460 3.521 9.240) 10.847 0.895 ( -1.402 2.525 9.707) 10.127 0.954 ( 1.913 4.170 6.181) 7.697 1.152 ( -1.009 -1.352 -2.591) 3.092 1.173 ( 2.201 2.434 4.911) 5.906 1.234 ( -3.517 -0.465 -0.193) 3.553 1.352 ( 1.906 -1.485 2.243) 3.297 1.424 ( 0.727 0.071 3.675) 3.747 1.531 ( -3.200 -0.629 0.073) 3.262 1.562 ( 3.524 2.406 9.986) 10.859 1.664 ( 1.682 -2.838 -1.005) 3.449 1.733 ( -3.538 0.340 0.449) 3.583 1.816 ( 2.259 0.061 -2.769) 3.574 1.872 ( 1.380 0.598 1.179) 1.911 1.890 ( 1.248 -0.687 -0.879) 1.674 1.939 ( 2.531 3.081 0.885) 4.085 2.097 ( 1.091 -0.115 0.388) 1.163 2.127 ( -1.567 -2.247 -0.267) 2.753 2.205 ( -0.641 -0.928 -0.562) 1.260 2.241 ( 1.186 0.439 0.381) 1.321 2.281 ( 1.195 -2.946 -1.149) 3.380 2.365 ( -5.078 0.998 0.358) 5.187 2.441 ( -0.453 -3.932 -5.799) 7.021 2.483 ( 1.040 -0.741 0.922) 1.575 2.527 ( -5.123 -0.736 -1.907) 5.516 2.558 ( 2.395 -0.474 -0.463) 2.484 2.634 ( -1.271 -0.985 0.422) 1.662 2.677 ( -1.767 -0.012 0.871) 1.970 2.903 ( 5.775 -1.304 -1.551) 6.120 2.995 ( 5.186 -1.624 -3.304) 6.360 3.192 ( -5.332 -0.572 4.771) 7.178 3.351 ( 0.337 -1.138 2.578) 2.838 3.363 ( -3.528 0.980 0.850) 3.759 3.446 ( -2.787 -1.122 3.354) 4.503 3.778 ( 2.310 -1.050 -7.225) 7.658 3.867 ( -1.645 -2.484 -7.898) 8.441 4.523 ( 1.203 -1.349 2.463) 3.055 4.575 ( 0.958 0.206 0.170) 0.994 4.587 ( -1.225 -2.340 3.025) 4.016 4.641 ( -1.833 -1.050 0.186) 2.121 5.447 ( 3.990 0.229 0.310) 4.009 5.479 ( 4.242 0.593 -0.758) 4.350 5.605 ( -3.094 -0.295 0.496) 3.147 5.624 ( -2.328 -0.158 -0.163) 2.339 5.880 ( 0.234 -0.577 0.317) 0.699 5.896 ( -0.453 -0.766 -0.310) 0.942 6.015 ( 0.585 -0.379 1.409) 1.572 6.060 ( -1.353 0.194 0.029) 1.367 6.339 ( 0.240 -1.114 0.656) 1.315 6.390 ( 0.067 -0.278 0.101) 0.304 6.847 ( -0.284 0.908 0.625) 1.138 6.884 ( -0.811 1.179 -0.013) 1.431 7.034 ( 1.047 0.344 0.250) 1.130 7.049 ( 2.249 0.378 -0.137) 2.284 7.102 ( -0.479 1.149 1.286) 1.790 7.193 ( -3.064 0.592 -1.473) 3.451 7.794 ( 2.189 0.017 2.050) 2.999 7.890 ( -1.364 -0.184 1.697) 2.185 7.932 ( 2.768 0.218 -1.082) 2.980 8.060 ( -2.563 0.458 -2.427) 3.559 ======================= Grid point 122 (45/72) ======================= q-point: (-0.50 0.18 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 0.000 1.160 8.409) 8.489 0.811 ( -0.000 1.846 8.578) 8.775 1.064 ( 0.000 2.714 1.649) 3.176 1.080 ( -0.000 5.548 9.590) 11.079 1.193 ( 0.000 0.252 -0.446) 0.512 1.206 ( 0.000 1.501 -3.550) 3.854 1.371 ( -0.000 -2.860 0.283) 2.874 1.384 ( 0.000 0.018 -0.410) 0.410 1.567 ( 0.000 -1.986 4.338) 4.771 1.614 ( -0.000 -1.131 0.532) 1.250 1.665 ( -0.000 -0.098 6.575) 6.576 1.682 ( 0.000 1.123 3.834) 3.995 1.839 ( 0.000 -0.738 -2.741) 2.838 1.871 ( 0.000 0.164 0.173) 0.238 1.918 ( -0.000 0.154 3.845) 3.848 1.965 ( 0.000 2.417 0.584) 2.486 2.102 ( 0.000 -1.591 -0.331) 1.625 2.129 ( 0.000 0.733 0.755) 1.053 2.199 ( 0.000 -0.693 0.176) 0.715 2.220 ( -0.000 -0.204 4.677) 4.682 2.286 ( 0.000 -3.461 -2.807) 4.456 2.381 ( -0.000 0.782 -6.538) 6.585 2.411 ( 0.000 0.349 -3.710) 3.726 2.437 ( 0.000 -3.841 -5.615) 6.803 2.496 ( -0.000 -0.766 2.878) 2.978 2.611 ( -0.000 -0.633 -0.802) 1.022 2.617 ( 0.000 -0.758 1.941) 2.084 2.647 ( 0.000 -0.423 0.586) 0.722 2.998 ( 0.000 -1.815 -1.175) 2.162 3.022 ( 0.000 -1.174 -3.810) 3.987 3.169 ( -0.000 -1.770 2.887) 3.386 3.252 ( 0.000 0.482 1.829) 1.892 3.374 ( 0.000 0.339 3.575) 3.591 3.427 ( -0.000 -0.831 3.081) 3.191 3.813 ( 0.000 -1.634 -7.398) 7.576 3.838 ( -0.000 -2.100 -7.510) 7.798 4.550 ( 0.000 -2.147 2.848) 3.566 4.554 ( -0.000 -1.570 2.707) 3.130 4.604 ( 0.000 0.167 0.193) 0.255 4.609 ( -0.000 -0.471 0.301) 0.559 5.528 ( 0.000 0.023 0.454) 0.455 5.534 ( -0.000 -0.035 0.531) 0.532 5.559 ( 0.000 0.339 -0.570) 0.663 5.566 ( -0.000 0.254 -0.549) 0.605 5.885 ( 0.000 -0.726 -0.021) 0.727 5.889 ( -0.000 -0.782 -0.043) 0.783 6.030 ( 0.000 -0.185 0.829) 0.849 6.036 ( 0.000 -0.004 0.809) 0.809 6.342 ( 0.000 -1.015 0.698) 1.232 6.390 ( 0.000 -0.428 0.200) 0.473 6.844 ( 0.000 0.788 0.371) 0.871 6.876 ( 0.000 1.192 -0.029) 1.192 7.048 ( 0.000 0.623 0.576) 0.848 7.068 ( -0.000 0.676 0.817) 1.060 7.124 ( 0.000 0.683 -0.863) 1.100 7.135 ( -0.000 0.591 -0.479) 0.760 7.831 ( -0.000 -0.212 2.056) 2.067 7.859 ( 0.000 0.144 2.284) 2.289 7.991 ( 0.000 0.216 -2.245) 2.256 8.006 ( 0.000 0.390 -1.871) 1.911 ======================= Grid point 125 (46/72) ======================= q-point: ( 0.00 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.766 ( 0.000 6.861 4.031) 7.957 0.999 ( 0.000 6.273 7.502) 9.780 1.048 ( 0.000 4.608 2.133) 5.078 1.084 ( 0.000 -2.946 3.698) 4.728 1.111 ( 0.000 -1.978 -6.700) 6.986 1.251 ( 0.000 -0.678 0.478) 0.829 1.397 ( 0.000 5.374 6.321) 8.297 1.414 ( 0.000 -1.425 4.760) 4.969 1.540 ( 0.000 -2.654 1.521) 3.059 1.571 ( 0.000 -2.023 -9.087) 9.309 1.610 ( 0.000 1.693 8.488) 8.655 1.728 ( 0.000 -1.918 -4.788) 5.158 1.816 ( 0.000 0.861 -2.180) 2.344 1.866 ( 0.000 -0.816 0.593) 1.008 1.883 ( 0.000 2.359 -0.690) 2.458 1.971 ( 0.000 2.305 -0.981) 2.505 2.062 ( 0.000 -2.124 2.380) 3.190 2.124 ( 0.000 -0.661 -2.383) 2.473 2.158 ( 0.000 -3.785 -3.890) 5.428 2.231 ( 0.000 -0.107 0.472) 0.484 2.238 ( 0.000 0.702 1.448) 1.609 2.337 ( 0.000 -5.504 -5.024) 7.452 2.456 ( 0.000 0.820 -1.104) 1.375 2.458 ( 0.000 -0.682 0.069) 0.686 2.490 ( 0.000 -1.095 2.193) 2.451 2.584 ( 0.000 -1.786 5.024) 5.332 2.595 ( 0.000 -1.704 -5.498) 5.755 2.717 ( 0.000 0.386 -0.295) 0.486 2.810 ( 0.000 -1.610 -1.869) 2.467 2.892 ( 0.000 -3.021 -1.881) 3.559 3.279 ( 0.000 0.446 6.374) 6.390 3.280 ( 0.000 -1.887 2.492) 3.125 3.402 ( 0.000 0.727 1.979) 2.108 3.469 ( 0.000 -0.893 2.186) 2.361 3.740 ( 0.000 -0.651 -7.519) 7.547 3.831 ( 0.000 -2.190 -6.848) 7.189 4.487 ( 0.000 -1.222 2.898) 3.145 4.547 ( 0.000 -2.358 3.620) 4.321 4.572 ( 0.000 0.280 -0.210) 0.350 4.635 ( 0.000 -0.858 -0.356) 0.929 5.416 ( 0.000 0.340 0.354) 0.491 5.452 ( 0.000 0.729 -0.806) 1.086 5.623 ( 0.000 -0.515 0.311) 0.601 5.637 ( 0.000 -0.372 -0.150) 0.401 5.870 ( 0.000 -0.396 0.344) 0.524 5.883 ( 0.000 -0.901 -0.199) 0.923 6.001 ( 0.000 -0.380 1.681) 1.723 6.080 ( 0.000 0.399 -0.746) 0.846 6.313 ( 0.000 -1.133 0.743) 1.355 6.384 ( 0.000 -0.313 -0.611) 0.687 6.875 ( 0.000 1.361 1.372) 1.932 6.919 ( 0.000 1.153 0.557) 1.280 7.022 ( 0.000 0.245 0.212) 0.324 7.038 ( 0.000 0.375 -0.147) 0.403 7.136 ( 0.000 1.253 2.219) 2.548 7.234 ( 0.000 0.566 -0.843) 1.015 7.775 ( 0.000 0.154 1.815) 1.821 7.883 ( 0.000 -0.309 -0.488) 0.578 7.922 ( 0.000 0.065 1.501) 1.503 8.094 ( 0.000 0.525 -2.747) 2.796 ======================= Grid point 126 (47/72) ======================= q-point: ( 0.25 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 2.379 5.897 3.847) 7.432 0.942 ( -4.821 3.310 5.068) 7.738 1.066 ( 2.788 3.954 0.707) 4.889 1.119 ( 2.628 -0.095 -3.238) 4.171 1.197 ( 6.414 0.013 4.513) 7.843 1.227 ( -1.226 0.067 -0.034) 1.228 1.368 ( -3.283 2.499 3.067) 5.141 1.419 ( -1.124 -0.374 1.988) 2.314 1.509 ( -1.248 -1.277 1.647) 2.429 1.577 ( 1.246 -1.473 -2.904) 3.486 1.639 ( 2.271 0.557 4.525) 5.093 1.720 ( -1.463 -1.096 -1.120) 2.143 1.827 ( 0.761 0.449 -3.668) 3.773 1.868 ( -0.094 -1.207 0.658) 1.378 1.886 ( 1.117 0.843 1.234) 1.866 1.993 ( 1.202 1.605 -1.730) 2.649 2.068 ( 0.740 -2.113 0.953) 2.433 2.106 ( -0.218 -0.230 -1.530) 1.562 2.168 ( 0.494 -3.051 -2.788) 4.162 2.222 ( -1.017 -1.099 0.922) 1.758 2.274 ( 3.046 1.515 0.544) 3.445 2.327 ( -1.256 -4.814 -3.868) 6.302 2.397 ( -3.764 0.714 -0.867) 3.928 2.474 ( 0.887 -0.634 0.700) 1.296 2.508 ( -3.891 -1.063 -1.408) 4.273 2.542 ( 2.880 -1.037 0.410) 3.088 2.610 ( -0.802 -1.439 -0.563) 1.741 2.670 ( -3.268 -0.713 0.587) 3.396 2.874 ( 5.576 -1.474 -1.025) 5.858 2.950 ( 5.325 -2.755 -3.482) 6.933 3.179 ( -5.993 -0.701 4.557) 7.561 3.316 ( -2.383 -2.318 2.862) 4.387 3.390 ( -0.531 1.564 2.243) 2.786 3.433 ( -2.155 -0.052 3.556) 4.158 3.757 ( 1.617 -0.963 -7.066) 7.312 3.818 ( -1.310 -2.101 -6.788) 7.226 4.495 ( 0.826 -1.349 2.979) 3.373 4.537 ( -0.988 -2.139 3.534) 4.248 4.582 ( 0.957 0.153 -0.261) 1.004 4.625 ( -1.051 -0.605 -0.328) 1.256 5.452 ( 3.792 0.239 0.430) 3.824 5.491 ( 3.900 0.564 -0.788) 4.019 5.599 ( -2.662 -0.318 0.394) 2.710 5.621 ( -1.925 -0.198 -0.274) 1.954 5.869 ( -0.007 -0.487 0.224) 0.536 5.879 ( -0.386 -0.833 -0.168) 0.934 6.008 ( 0.803 -0.314 1.383) 1.629 6.064 ( -1.646 0.259 -0.336) 1.699 6.318 ( 0.532 -0.933 0.629) 1.245 6.381 ( -0.323 -0.566 -0.372) 0.750 6.869 ( -0.499 1.243 1.070) 1.714 6.907 ( -0.880 1.027 0.455) 1.427 7.044 ( 1.538 0.577 0.421) 1.695 7.059 ( 2.535 0.502 0.044) 2.584 7.125 ( -0.950 1.053 1.815) 2.303 7.205 ( -3.077 0.561 -0.631) 3.191 7.795 ( 2.066 0.103 1.953) 2.845 7.885 ( -1.027 -0.311 1.752) 2.054 7.937 ( 2.751 0.213 -1.016) 2.940 8.069 ( -2.708 0.454 -2.574) 3.763 ======================= Grid point 127 (48/72) ======================= q-point: (-0.50 0.27 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 3.685 3.162) 4.855 0.885 ( -0.000 5.425 5.439) 7.682 1.073 ( 0.000 -1.429 -4.385) 4.612 1.182 ( -0.000 3.223 0.597) 3.277 1.216 ( -0.000 3.116 6.846) 7.522 1.269 ( 0.000 4.098 -1.143) 4.254 1.316 ( -0.000 -2.219 0.879) 2.387 1.385 ( -0.000 0.212 0.738) 0.768 1.515 ( -0.000 -2.472 0.148) 2.477 1.593 ( 0.000 -1.381 -1.454) 2.005 1.677 ( -0.000 -1.049 1.135) 1.546 1.686 ( 0.000 1.280 4.944) 5.108 1.835 ( 0.000 -0.043 -4.559) 4.559 1.862 ( 0.000 -1.049 1.610) 1.922 1.910 ( 0.000 -0.643 2.752) 2.826 1.992 ( 0.000 -0.569 -3.785) 3.828 2.076 ( 0.000 -0.078 -1.019) 1.022 2.133 ( 0.000 -1.170 -1.425) 1.844 2.186 ( 0.000 -3.657 1.553) 3.973 2.194 ( -0.000 0.267 0.868) 0.908 2.250 ( 0.000 0.619 2.210) 2.295 2.346 ( -0.000 -3.449 -1.540) 3.777 2.405 ( -0.000 1.010 -7.039) 7.111 2.417 ( 0.000 0.258 -3.089) 3.100 2.488 ( -0.000 -0.471 2.150) 2.201 2.591 ( -0.000 -1.257 -1.476) 1.939 2.597 ( 0.000 -1.191 1.991) 2.320 2.626 ( 0.000 -1.654 1.012) 1.939 2.960 ( 0.000 -1.909 -1.433) 2.388 2.995 ( 0.000 -1.519 -4.494) 4.744 3.126 ( 0.000 -2.153 4.206) 4.725 3.243 ( 0.000 -1.620 2.193) 2.727 3.397 ( 0.000 1.705 4.084) 4.426 3.414 ( -0.000 -0.127 3.571) 3.573 3.784 ( 0.000 -1.158 -6.652) 6.752 3.794 ( -0.000 -2.069 -6.871) 7.176 4.510 ( 0.000 -1.746 3.052) 3.516 4.520 ( -0.000 -1.637 3.455) 3.823 4.600 ( 0.000 -0.337 -0.462) 0.572 4.605 ( -0.000 -0.009 -0.144) 0.144 5.528 ( 0.000 -0.040 0.413) 0.415 5.532 ( -0.000 -0.174 0.404) 0.440 5.567 ( 0.000 0.388 -0.480) 0.617 5.571 ( -0.000 0.227 -0.532) 0.578 5.871 ( 0.000 -0.617 -0.011) 0.617 5.873 ( -0.000 -0.730 -0.027) 0.731 6.027 ( 0.000 -0.090 0.618) 0.624 6.036 ( 0.000 -0.047 0.550) 0.552 6.325 ( 0.000 -0.656 0.464) 0.804 6.377 ( 0.000 -0.895 -0.081) 0.898 6.864 ( 0.000 1.135 0.805) 1.391 6.899 ( 0.000 0.985 0.366) 1.051 7.065 ( 0.000 0.978 0.874) 1.312 7.083 ( -0.000 0.777 0.967) 1.241 7.138 ( 0.000 0.648 -0.145) 0.664 7.145 ( -0.000 0.451 0.103) 0.463 7.829 ( -0.000 -0.009 2.091) 2.091 7.859 ( 0.000 -0.117 2.332) 2.335 7.997 ( 0.000 0.344 -2.334) 2.359 8.013 ( 0.000 0.265 -1.938) 1.956 ======================= Grid point 130 (49/72) ======================= q-point: ( 0.00 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.894 ( 0.000 4.613 -0.352) 4.627 1.038 ( 0.000 -1.020 1.442) 1.766 1.081 ( 0.000 -0.731 -3.581) 3.654 1.109 ( 0.000 4.541 4.365) 6.298 1.167 ( 0.000 6.556 -1.582) 6.745 1.253 ( 0.000 0.810 0.738) 1.096 1.388 ( 0.000 -0.573 0.250) 0.625 1.479 ( 0.000 -0.158 -0.988) 1.001 1.501 ( 0.000 0.575 2.536) 2.600 1.532 ( 0.000 -0.992 -6.224) 6.302 1.608 ( 0.000 -2.184 3.290) 3.949 1.709 ( 0.000 0.245 -3.411) 3.420 1.824 ( 0.000 -0.023 -2.117) 2.117 1.842 ( 0.000 -1.622 0.528) 1.706 1.926 ( 0.000 1.797 -2.310) 2.927 1.982 ( 0.000 -1.969 -3.195) 3.754 2.023 ( 0.000 -1.446 1.922) 2.406 2.094 ( 0.000 -2.634 -5.104) 5.744 2.105 ( 0.000 -0.428 -1.302) 1.371 2.232 ( 0.000 0.150 1.148) 1.157 2.256 ( 0.000 0.848 0.912) 1.245 2.262 ( 0.000 -1.522 0.252) 1.542 2.439 ( 0.000 -0.982 0.495) 1.100 2.462 ( 0.000 -1.562 2.157) 2.663 2.470 ( 0.000 0.540 -3.536) 3.578 2.555 ( 0.000 -1.019 5.014) 5.116 2.557 ( 0.000 -1.966 -5.461) 5.804 2.722 ( 0.000 0.119 -0.872) 0.881 2.777 ( 0.000 -1.504 -1.565) 2.170 2.827 ( 0.000 -3.139 -0.909) 3.268 3.235 ( 0.000 -2.181 3.359) 4.005 3.289 ( 0.000 0.499 5.782) 5.803 3.416 ( 0.000 0.110 0.365) 0.381 3.463 ( 0.000 0.564 4.084) 4.123 3.728 ( 0.000 -0.501 -7.526) 7.542 3.799 ( 0.000 -0.993 -5.418) 5.509 4.465 ( 0.000 -0.906 3.357) 3.477 4.509 ( 0.000 -1.390 3.685) 3.938 4.575 ( 0.000 0.033 -0.381) 0.383 4.621 ( 0.000 -0.552 -0.678) 0.874 5.422 ( 0.000 0.271 0.492) 0.562 5.465 ( 0.000 0.530 -0.788) 0.949 5.613 ( 0.000 -0.371 0.165) 0.406 5.630 ( 0.000 -0.283 -0.302) 0.414 5.863 ( 0.000 -0.275 0.231) 0.359 5.866 ( 0.000 -0.686 -0.039) 0.687 5.995 ( 0.000 -0.197 1.761) 1.772 6.088 ( 0.000 0.324 -0.981) 1.033 6.292 ( 0.000 -0.830 0.962) 1.270 6.378 ( 0.000 -0.278 -1.231) 1.263 6.902 ( 0.000 1.217 1.785) 2.160 6.939 ( 0.000 0.744 1.073) 1.306 7.027 ( 0.000 0.242 0.333) 0.412 7.045 ( 0.000 0.307 -0.045) 0.310 7.158 ( 0.000 0.903 2.614) 2.765 7.244 ( 0.000 0.360 0.011) 0.361 7.779 ( 0.000 0.182 1.686) 1.696 7.876 ( 0.000 -0.301 -0.020) 0.301 7.922 ( 0.000 0.018 1.209) 1.209 8.103 ( 0.000 0.376 -2.937) 2.960 ======================= Grid point 131 (50/72) ======================= q-point: ( 0.25 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.384 3.940 -0.627) 4.008 1.017 ( -1.150 2.543 1.471) 3.155 1.061 ( -1.804 0.129 -4.752) 5.084 1.187 ( 6.142 2.731 2.997) 7.360 1.221 ( 5.045 3.693 -0.285) 6.259 1.245 ( -0.041 1.726 0.921) 1.957 1.393 ( 0.616 -0.465 0.641) 1.004 1.430 ( -5.817 1.385 2.386) 6.438 1.487 ( 0.372 -0.748 -1.057) 1.347 1.545 ( 0.981 -1.262 -5.203) 5.443 1.646 ( 2.137 -0.169 2.056) 2.970 1.697 ( -0.949 -1.129 -3.110) 3.442 1.816 ( -0.366 -1.486 -1.380) 2.061 1.840 ( -0.568 -1.580 -0.330) 1.711 1.911 ( -0.760 1.412 -0.726) 1.760 1.976 ( -1.309 -2.413 -4.510) 5.279 2.040 ( 1.790 -1.799 0.562) 2.599 2.083 ( -0.714 -2.643 -4.259) 5.063 2.119 ( 1.446 -0.079 -0.314) 1.482 2.220 ( -1.051 0.654 1.780) 2.168 2.262 ( 0.296 -1.410 0.559) 1.546 2.304 ( 4.125 1.273 0.763) 4.384 2.409 ( -4.372 0.381 -1.404) 4.608 2.458 ( 1.081 -0.788 0.798) 1.558 2.486 ( -0.732 -1.146 0.258) 1.384 2.520 ( 1.174 -0.999 -1.828) 2.391 2.578 ( -0.294 -1.593 -0.532) 1.705 2.652 ( -4.770 -0.897 0.051) 4.854 2.847 ( 5.615 -1.156 -0.801) 5.788 2.892 ( 5.745 -2.752 -2.787) 6.953 3.165 ( -5.915 -0.650 4.041) 7.193 3.266 ( -4.272 -2.314 3.632) 6.066 3.416 ( 0.299 0.774 1.626) 1.826 3.446 ( -1.185 1.252 4.394) 4.720 3.740 ( 1.161 -0.667 -6.863) 6.993 3.787 ( -1.190 -1.021 -5.495) 5.715 4.471 ( 0.623 -0.952 3.362) 3.550 4.502 ( -0.690 -1.326 3.635) 3.930 4.583 ( 0.741 -0.015 -0.433) 0.859 4.615 ( -0.670 -0.426 -0.619) 1.006 5.457 ( 3.559 0.175 0.508) 3.599 5.501 ( 3.503 0.378 -0.807) 3.615 5.593 ( -2.267 -0.235 0.306) 2.300 5.617 ( -1.588 -0.163 -0.373) 1.639 5.861 ( -0.133 -0.298 0.199) 0.383 5.864 ( -0.220 -0.607 -0.007) 0.645 6.003 ( 0.931 -0.175 1.359) 1.656 6.069 ( -1.928 0.220 -0.594) 2.029 6.302 ( 1.024 -0.606 0.688) 1.374 6.369 ( -0.900 -0.542 -0.841) 1.346 6.894 ( -0.660 1.170 1.397) 1.938 6.924 ( -1.044 0.546 0.881) 1.471 7.056 ( 1.970 0.593 0.586) 2.139 7.068 ( 2.954 0.378 0.320) 2.995 7.143 ( -1.427 0.746 2.221) 2.743 7.214 ( -3.094 0.362 0.103) 3.116 7.798 ( 1.974 0.149 1.894) 2.739 7.878 ( -0.837 -0.325 1.878) 2.082 7.940 ( 2.827 0.142 -1.014) 3.007 8.077 ( -2.851 0.320 -2.736) 3.965 ======================= Grid point 132 (51/72) ======================= q-point: (-0.50 0.36 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 0.000 3.240 -0.962) 3.380 1.008 ( 0.000 4.017 1.099) 4.165 1.040 ( 0.000 0.715 -4.510) 4.566 1.225 ( 0.000 1.655 -1.954) 2.561 1.273 ( 0.000 0.875 5.118) 5.193 1.323 ( -0.000 3.996 1.413) 4.239 1.326 ( 0.000 0.871 1.391) 1.641 1.402 ( -0.000 1.328 -0.205) 1.344 1.495 ( -0.000 1.193 -2.314) 2.603 1.547 ( 0.000 -3.056 -2.557) 3.985 1.663 ( -0.000 -0.270 -1.261) 1.289 1.689 ( 0.000 -1.519 -0.553) 1.616 1.817 ( -0.000 -1.853 -3.085) 3.599 1.828 ( 0.000 -2.268 1.002) 2.479 1.908 ( 0.000 0.533 0.615) 0.814 1.957 ( -0.000 -1.940 -5.750) 6.069 2.064 ( -0.000 -2.441 -0.571) 2.506 2.072 ( 0.000 -3.993 -4.596) 6.089 2.148 ( 0.000 0.915 1.940) 2.145 2.200 ( -0.000 0.119 0.567) 0.579 2.273 ( 0.000 1.327 3.562) 3.801 2.316 ( -0.000 -0.035 3.006) 3.007 2.423 ( -0.000 0.333 -2.272) 2.296 2.425 ( 0.000 0.955 -6.842) 6.908 2.475 ( -0.000 -0.755 2.259) 2.382 2.558 ( 0.000 -2.233 -1.680) 2.794 2.574 ( 0.000 -0.936 1.470) 1.743 2.589 ( 0.000 -1.605 0.650) 1.731 2.925 ( 0.000 -1.370 -2.020) 2.441 2.958 ( 0.000 -2.036 -4.583) 5.015 3.095 ( 0.000 -0.703 5.289) 5.335 3.192 ( 0.000 -3.013 3.323) 4.486 3.425 ( 0.000 0.986 3.231) 3.378 3.432 ( -0.000 1.450 3.927) 4.186 3.761 ( 0.000 -1.088 -6.144) 6.240 3.765 ( -0.000 -0.752 -5.778) 5.826 4.481 ( 0.000 -1.033 3.270) 3.429 4.491 ( -0.000 -1.223 3.703) 3.900 4.595 ( -0.000 -0.166 -0.681) 0.701 4.603 ( 0.000 -0.201 -0.380) 0.430 5.527 ( 0.000 -0.071 0.264) 0.273 5.528 ( -0.000 -0.150 0.240) 0.283 5.573 ( 0.000 0.240 -0.370) 0.441 5.575 ( -0.000 0.150 -0.426) 0.452 5.861 ( 0.000 -0.400 0.100) 0.412 5.861 ( -0.000 -0.457 0.084) 0.464 6.027 ( 0.000 0.063 0.409) 0.414 6.034 ( 0.000 -0.097 0.343) 0.357 6.317 ( -0.000 -0.107 0.192) 0.220 6.356 ( 0.000 -1.082 -0.227) 1.105 6.887 ( 0.000 1.120 1.087) 1.561 6.914 ( 0.000 0.466 0.750) 0.883 7.085 ( 0.000 0.980 1.222) 1.566 7.098 ( -0.000 0.655 1.256) 1.416 7.149 ( 0.000 0.362 0.388) 0.531 7.152 ( -0.000 0.233 0.544) 0.592 7.831 ( -0.000 0.210 2.176) 2.186 7.854 ( 0.000 -0.346 2.354) 2.379 8.005 ( 0.000 0.363 -2.363) 2.391 8.016 ( -0.000 0.068 -2.066) 2.067 ======================= Grid point 135 (52/72) ======================= q-point: ( 0.00 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 0.000 -0.023 -0.580) 0.580 1.036 ( 0.000 -0.048 -5.887) 5.887 1.094 ( 0.000 1.327 3.634) 3.869 1.173 ( 0.000 1.647 2.750) 3.205 1.270 ( 0.000 0.399 1.864) 1.907 1.289 ( 0.000 4.465 -3.037) 5.400 1.413 ( 0.000 3.121 -3.708) 4.847 1.455 ( 0.000 -0.695 -2.992) 3.071 1.471 ( 0.000 -2.156 -4.031) 4.571 1.532 ( 0.000 -4.620 -1.444) 4.840 1.556 ( 0.000 0.941 -3.410) 3.537 1.741 ( 0.000 2.724 0.289) 2.739 1.799 ( 0.000 -2.615 0.943) 2.780 1.818 ( 0.000 -0.327 -3.571) 3.586 1.925 ( 0.000 -2.246 -4.261) 4.817 1.952 ( 0.000 0.729 -3.413) 3.490 2.009 ( 0.000 -0.059 1.933) 1.934 2.042 ( 0.000 -1.764 -4.645) 4.969 2.120 ( 0.000 0.848 0.029) 0.848 2.236 ( 0.000 0.152 3.187) 3.191 2.254 ( 0.000 0.060 1.737) 1.738 2.267 ( 0.000 0.229 1.169) 1.191 2.423 ( 0.000 -0.479 0.788) 0.922 2.436 ( 0.000 -0.764 1.648) 1.817 2.481 ( 0.000 0.613 -5.084) 5.121 2.522 ( 0.000 -1.356 -5.322) 5.492 2.542 ( 0.000 -0.255 4.807) 4.814 2.725 ( 0.000 0.242 -1.697) 1.714 2.754 ( 0.000 -0.633 -1.364) 1.504 2.776 ( 0.000 -1.544 0.060) 1.545 3.203 ( 0.000 -0.897 3.812) 3.916 3.297 ( 0.000 0.218 5.481) 5.485 3.410 ( 0.000 -0.301 -0.689) 0.752 3.480 ( 0.000 0.645 5.189) 5.229 3.721 ( 0.000 -0.188 -7.518) 7.520 3.788 ( 0.000 -0.217 -4.474) 4.479 4.452 ( 0.000 -0.333 3.595) 3.610 4.490 ( 0.000 -0.458 3.724) 3.752 4.575 ( 0.000 -0.027 -0.453) 0.453 4.614 ( 0.000 -0.204 -0.861) 0.885 5.426 ( 0.000 0.104 0.567) 0.576 5.473 ( 0.000 0.192 -0.764) 0.787 5.608 ( 0.000 -0.133 0.076) 0.154 5.626 ( 0.000 -0.105 -0.389) 0.403 5.857 ( 0.000 -0.249 0.057) 0.256 5.859 ( 0.000 -0.096 0.178) 0.203 5.993 ( 0.000 -0.056 1.813) 1.814 6.093 ( 0.000 0.123 -1.090) 1.097 6.280 ( 0.000 -0.309 1.119) 1.161 6.374 ( 0.000 -0.107 -1.609) 1.613 6.920 ( 0.000 0.520 2.013) 2.079 6.949 ( 0.000 0.220 1.382) 1.399 7.031 ( 0.000 0.102 0.401) 0.413 7.049 ( 0.000 0.115 0.039) 0.122 7.171 ( 0.000 0.335 2.817) 2.836 7.249 ( 0.000 0.114 0.510) 0.523 7.782 ( 0.000 0.085 1.620) 1.622 7.872 ( 0.000 -0.130 0.288) 0.316 7.922 ( 0.000 -0.000 1.017) 1.017 8.109 ( 0.000 0.135 -3.061) 3.064 ======================= Grid point 136 (53/72) ======================= q-point: ( 0.25 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 0.866 0.577 -1.928) 2.191 1.012 ( -2.188 -0.660 -5.962) 6.385 1.115 ( 2.375 2.133 3.620) 4.827 1.238 ( 1.217 2.577 0.250) 2.861 1.265 ( 4.567 0.868 1.729) 4.960 1.306 ( 1.069 1.286 0.384) 1.715 1.385 ( -2.271 0.659 0.119) 2.368 1.451 ( -1.167 0.819 -1.879) 2.359 1.482 ( 1.749 0.241 -5.555) 5.829 1.531 ( 1.300 -0.151 -4.684) 4.864 1.601 ( 2.604 -3.437 -3.682) 5.670 1.707 ( -4.069 1.589 -1.812) 4.729 1.778 ( -0.980 -1.764 1.364) 2.436 1.806 ( -1.510 -1.400 -2.792) 3.470 1.923 ( -0.185 -0.816 -3.555) 3.652 1.944 ( -1.005 0.169 -4.123) 4.247 2.007 ( 0.096 -0.929 2.075) 2.276 2.031 ( -0.982 -1.510 -2.617) 3.177 2.138 ( 1.998 0.822 -0.333) 2.186 2.234 ( -1.501 0.485 1.282) 2.033 2.252 ( 1.640 -0.044 3.126) 3.531 2.321 ( 4.707 0.354 1.551) 4.969 2.413 ( -4.727 0.119 -1.700) 5.025 2.449 ( 1.542 0.067 1.205) 1.959 2.463 ( 1.952 -1.057 1.518) 2.690 2.506 ( -1.019 -0.381 -5.039) 5.155 2.553 ( 0.091 -0.687 0.234) 0.732 2.639 ( -5.445 -0.373 -0.446) 5.476 2.832 ( 5.883 -0.266 -0.703) 5.931 2.848 ( 5.779 -1.343 -2.387) 6.395 3.155 ( -4.635 -0.280 3.755) 5.972 3.232 ( -6.538 -0.901 3.938) 7.686 3.425 ( 1.211 0.209 1.490) 1.931 3.468 ( -1.093 0.656 4.584) 4.758 3.731 ( 1.006 -0.205 -6.665) 6.744 3.775 ( -1.245 -0.260 -4.644) 4.815 4.458 ( 0.581 -0.336 3.590) 3.652 4.484 ( -0.634 -0.453 3.659) 3.741 4.582 ( 0.698 -0.023 -0.468) 0.840 4.609 ( -0.525 -0.175 -0.780) 0.956 5.459 ( 3.398 0.063 0.539) 3.441 5.506 ( 3.228 0.130 -0.819) 3.333 5.590 ( -2.031 -0.085 0.256) 2.049 5.615 ( -1.401 -0.063 -0.431) 1.467 5.856 ( -0.091 -0.216 0.107) 0.258 5.858 ( -0.176 -0.098 0.215) 0.294 6.001 ( 0.991 -0.051 1.345) 1.671 6.072 ( -2.092 0.086 -0.722) 2.215 6.294 ( 1.452 -0.208 0.769) 1.656 6.361 ( -1.380 -0.223 -1.148) 1.809 6.913 ( -0.596 0.620 1.563) 1.784 6.929 ( -1.325 0.013 1.124) 1.738 7.066 ( 2.012 0.317 0.643) 2.136 7.072 ( 3.462 0.072 0.568) 3.509 7.154 ( -1.722 0.277 2.428) 2.990 7.219 ( -3.100 0.116 0.532) 3.148 7.801 ( 1.944 0.077 1.870) 2.698 7.873 ( -0.785 -0.147 1.979) 2.135 7.942 ( 2.903 0.048 -1.031) 3.081 8.082 ( -2.940 0.114 -2.845) 4.093 ======================= Grid point 137 (54/72) ======================= q-point: (-0.50 0.45 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -0.000 1.738 -3.433) 3.848 0.984 ( 0.000 -1.822 -5.245) 5.552 1.152 ( 0.000 5.405 1.875) 5.721 1.224 ( 0.000 -1.724 1.470) 2.266 1.303 ( -0.000 1.379 2.405) 2.772 1.322 ( 0.000 -0.714 1.855) 1.988 1.422 ( -0.000 4.172 -0.937) 4.276 1.423 ( 0.000 1.087 -0.765) 1.330 1.494 ( 0.000 -0.456 -5.987) 6.004 1.545 ( 0.000 1.066 -5.006) 5.119 1.627 ( 0.000 -2.640 -4.206) 4.966 1.651 ( 0.000 -1.569 -2.089) 2.612 1.775 ( -0.000 -1.405 -1.964) 2.414 1.783 ( 0.000 -1.789 -0.313) 1.816 1.921 ( -0.000 0.509 -2.676) 2.724 1.930 ( 0.000 -0.680 -5.176) 5.221 2.013 ( -0.000 -1.325 -0.901) 1.602 2.017 ( 0.000 -1.504 2.171) 2.641 2.179 ( 0.000 1.448 -0.026) 1.448 2.197 ( -0.000 -0.417 -0.256) 0.489 2.298 ( -0.000 1.148 3.891) 4.057 2.315 ( 0.000 -0.396 4.015) 4.035 2.430 ( -0.000 0.430 -1.414) 1.478 2.438 ( 0.000 -0.022 -3.367) 3.367 2.471 ( 0.000 0.862 -0.093) 0.867 2.507 ( 0.000 -2.420 -1.445) 2.818 2.563 ( -0.000 -0.180 0.399) 0.438 2.567 ( 0.000 -0.631 -0.186) 0.658 2.909 ( 0.000 -0.153 -2.773) 2.777 2.921 ( 0.000 -1.368 -3.657) 3.904 3.099 ( -0.000 1.044 4.924) 5.034 3.135 ( 0.000 -2.427 4.226) 4.873 3.444 ( 0.000 0.754 3.219) 3.307 3.450 ( -0.000 0.279 3.542) 3.553 3.750 ( 0.000 -0.114 -5.481) 5.482 3.753 ( -0.000 -0.404 -5.298) 5.314 4.469 ( 0.000 -0.219 3.513) 3.520 4.472 ( -0.000 -0.568 3.691) 3.734 4.594 ( -0.000 0.090 -0.659) 0.665 4.598 ( 0.000 -0.258 -0.545) 0.603 5.526 ( -3.320 -0.045 0.148) 3.324 5.526 ( 3.320 -0.045 0.148) 3.324 5.576 ( 0.000 0.077 -0.330) 0.339 5.577 ( -0.000 0.049 -0.351) 0.354 5.855 ( -0.000 -0.138 0.199) 0.242 5.855 ( 0.000 -0.148 0.207) 0.254 6.029 ( -0.000 0.150 0.269) 0.308 6.032 ( 0.000 -0.144 0.244) 0.283 6.321 ( 0.000 0.483 -0.055) 0.486 6.335 ( 0.000 -0.930 -0.211) 0.954 6.907 ( 0.000 0.777 1.162) 1.398 6.917 ( 0.000 -0.195 1.037) 1.055 7.102 ( 0.000 0.581 1.456) 1.568 7.107 ( -0.000 0.113 1.474) 1.478 7.154 ( 0.000 0.132 0.684) 0.696 7.155 ( -0.000 0.019 0.748) 0.749 7.837 ( -0.000 0.390 2.271) 2.304 7.846 ( 0.000 -0.450 2.336) 2.379 8.011 ( 0.000 0.285 -2.320) 2.338 8.016 ( -0.000 -0.132 -2.210) 2.214 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 0.000 11.887) 11.887 0.987 ( 0.000 0.000 15.816) 15.816 1.041 ( 0.000 0.000 -10.210) 10.210 1.193 ( 0.000 0.000 1.643) 1.643 1.295 ( 0.000 0.000 1.893) 1.893 1.320 ( 0.000 0.000 -0.650) 0.650 1.388 ( 0.000 0.000 -5.581) 5.581 1.399 ( 0.000 0.000 5.223) 5.223 1.605 ( 0.000 0.000 -1.768) 1.768 1.656 ( 0.000 0.000 11.081) 11.081 1.668 ( 0.000 0.000 0.017) 0.017 1.713 ( 0.000 0.000 -9.095) 9.095 1.718 ( 0.000 0.000 -1.644) 1.644 1.749 ( 0.000 0.000 3.015) 3.015 1.919 ( 0.000 0.000 4.559) 4.559 1.945 ( 0.000 0.000 2.891) 2.891 2.121 ( 0.000 0.000 1.309) 1.309 2.142 ( 0.000 0.000 -0.503) 0.503 2.257 ( 0.000 0.000 2.012) 2.012 2.329 ( 0.000 0.000 -4.865) 4.865 2.399 ( 0.000 0.000 2.063) 2.063 2.417 ( 0.000 0.000 2.946) 2.946 2.435 ( 0.000 0.000 -1.317) 1.317 2.467 ( 0.000 0.000 -2.149) 2.149 2.470 ( 0.000 0.000 2.514) 2.514 2.552 ( 0.000 0.000 -4.872) 4.872 2.719 ( 0.000 0.000 4.622) 4.622 2.741 ( 0.000 0.000 3.603) 3.603 2.806 ( 0.000 0.000 -3.139) 3.139 2.861 ( 0.000 0.000 -8.392) 8.392 3.333 ( 0.000 0.000 1.057) 1.057 3.360 ( 0.000 0.000 -1.290) 1.290 3.438 ( 0.000 0.000 9.193) 9.193 3.610 ( 0.000 0.000 -8.853) 8.853 3.628 ( 0.000 0.000 6.306) 6.306 3.774 ( 0.000 0.000 -8.831) 8.831 4.557 ( 0.000 0.000 0.323) 0.323 4.558 ( 0.000 0.000 0.348) 0.348 4.681 ( 0.000 0.000 1.921) 1.921 4.718 ( 0.000 0.000 -2.003) 2.003 5.404 ( 0.000 0.000 0.149) 0.149 5.409 ( 0.000 0.000 -0.433) 0.433 5.653 ( 0.000 0.000 0.256) 0.256 5.655 ( 0.000 0.000 0.069) 0.069 5.899 ( 0.000 0.000 0.443) 0.443 5.906 ( 0.000 0.000 -0.376) 0.376 6.051 ( 0.000 0.000 1.151) 1.151 6.066 ( 0.000 0.000 -0.427) 0.427 6.386 ( 0.000 0.000 0.242) 0.242 6.387 ( 0.000 0.000 0.267) 0.267 6.839 ( 0.000 0.000 0.586) 0.586 6.852 ( 0.000 0.000 -0.707) 0.707 7.019 ( 0.000 0.000 0.221) 0.221 7.024 ( 0.000 0.000 -0.222) 0.222 7.105 ( 0.000 0.000 2.027) 2.027 7.152 ( 0.000 0.000 -2.866) 2.866 7.817 ( 0.000 0.000 2.407) 2.407 7.860 ( 0.000 0.000 -2.048) 2.048 7.963 ( 0.000 0.000 2.837) 2.837 8.019 ( 0.000 0.000 -2.969) 2.969 ======================= Grid point 166 (56/72) ======================= q-point: ( 0.25 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 4.227 0.000 10.711) 11.515 0.996 ( 2.274 0.000 9.616) 9.881 1.067 ( 2.178 0.000 -6.484) 6.840 1.153 ( -9.563 0.000 6.423) 11.520 1.161 ( -2.737 0.000 -2.624) 3.791 1.274 ( -9.920 0.000 0.170) 9.921 1.332 ( 1.088 0.000 -0.544) 1.216 1.462 ( -3.973 0.000 -5.732) 6.975 1.596 ( 6.909 0.000 6.749) 9.658 1.695 ( 2.809 0.000 -1.384) 3.132 1.712 ( 4.493 0.000 7.135) 8.432 1.746 ( 2.178 0.000 -3.014) 3.719 1.813 ( 7.680 0.000 1.744) 7.876 1.854 ( 7.571 0.000 1.975) 7.824 1.926 ( 0.751 0.000 3.458) 3.538 1.944 ( 0.447 0.000 1.439) 1.507 2.109 ( -0.622 0.000 0.783) 1.000 2.125 ( -0.285 0.000 -0.920) 0.963 2.260 ( 0.457 0.000 2.138) 2.186 2.314 ( -2.424 0.000 -2.053) 3.176 2.352 ( -5.812 0.000 0.481) 5.832 2.355 ( -1.304 0.000 -1.238) 1.798 2.400 ( -4.315 0.000 1.979) 4.747 2.459 ( -9.279 0.000 -3.940) 10.081 2.523 ( 4.762 0.000 -0.530) 4.792 2.532 ( 4.485 0.000 -1.051) 4.607 2.682 ( -2.211 0.000 1.373) 2.603 2.695 ( -3.129 0.000 1.011) 3.289 2.895 ( 6.873 0.000 -0.897) 6.931 2.939 ( 5.997 0.000 -5.320) 8.017 3.286 ( -4.235 0.000 3.321) 5.382 3.331 ( -3.620 0.000 -1.389) 3.877 3.444 ( 0.589 0.000 5.627) 5.658 3.519 ( -5.119 0.000 0.229) 5.124 3.693 ( 3.175 0.000 -2.379) 3.967 3.764 ( -1.058 0.000 -7.657) 7.729 4.572 ( 1.622 0.000 0.350) 1.659 4.574 ( 1.754 0.000 0.279) 1.776 4.664 ( -1.774 0.000 1.579) 2.375 4.690 ( -2.820 0.000 -1.155) 3.047 5.446 ( 4.366 0.000 0.262) 4.374 5.453 ( 4.492 0.000 -0.487) 4.518 5.622 ( -3.463 0.000 0.373) 3.483 5.626 ( -3.206 0.000 -0.121) 3.209 5.903 ( 0.356 0.000 0.284) 0.456 5.907 ( 0.083 0.000 -0.199) 0.216 6.048 ( -0.141 0.000 0.987) 0.997 6.060 ( -0.600 0.000 -0.201) 0.633 6.390 ( 0.348 0.000 0.316) 0.470 6.391 ( 0.346 0.000 0.296) 0.455 6.835 ( -0.361 0.000 0.309) 0.476 6.843 ( -0.798 0.000 -0.495) 0.940 7.034 ( 1.148 0.000 0.167) 1.160 7.038 ( 1.967 0.000 -0.225) 1.980 7.092 ( -1.280 0.000 1.639) 2.080 7.131 ( -2.147 0.000 -2.401) 3.221 7.840 ( 2.402 0.000 2.498) 3.465 7.885 ( 2.478 0.000 -2.111) 3.255 7.945 ( -1.836 0.000 2.665) 3.236 7.999 ( -2.186 0.000 -2.862) 3.601 ======================= Grid point 167 (57/72) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -7.654 0.000 7.861) 10.972 0.978 ( 7.654 0.000 7.861) 10.972 1.097 ( -6.384 0.000 4.319) 7.708 1.097 ( 6.384 0.000 4.319) 7.708 1.121 ( -3.795 0.000 -4.659) 6.009 1.121 ( 3.795 0.000 -4.659) 6.009 1.374 ( -4.025 0.000 -1.952) 4.473 1.374 ( 4.025 0.000 -1.952) 4.473 1.713 ( -3.521 0.000 2.833) 4.519 1.713 ( 3.521 0.000 2.833) 4.519 1.752 ( -0.058 0.000 1.597) 1.598 1.752 ( 0.058 0.000 1.597) 1.598 1.913 ( -0.008 0.000 4.231) 4.231 1.913 ( 0.008 0.000 4.231) 4.231 1.944 ( -2.000 0.000 1.566) 2.540 1.944 ( 2.000 0.000 1.566) 2.540 2.149 ( -3.801 0.000 1.194) 3.984 2.149 ( 3.801 0.000 1.194) 3.984 2.260 ( -2.505 0.000 -2.042) 3.232 2.260 ( 2.505 0.000 -2.042) 3.232 2.294 ( -4.915 0.000 0.014) 4.915 2.294 ( 4.915 0.000 0.014) 4.915 2.360 ( -0.333 0.000 -2.296) 2.320 2.360 ( 0.333 0.000 -2.296) 2.320 2.581 ( -0.085 0.000 -1.069) 1.072 2.581 ( 0.085 0.000 -1.069) 1.072 2.656 ( -0.415 0.000 0.977) 1.062 2.656 ( 0.415 0.000 0.977) 1.062 2.990 ( -2.036 0.000 -2.491) 3.217 2.990 ( 2.036 0.000 -2.491) 3.217 3.255 ( -2.523 0.000 1.314) 2.844 3.255 ( 2.523 0.000 1.314) 2.844 3.462 ( -1.249 0.000 2.667) 2.945 3.462 ( 1.249 0.000 2.667) 2.945 3.737 ( -1.831 0.000 -5.111) 5.429 3.737 ( 1.831 0.000 -5.111) 5.429 4.600 ( -0.322 0.000 0.226) 0.393 4.600 ( 0.322 0.000 0.226) 0.393 4.643 ( -1.071 0.000 0.514) 1.188 4.643 ( 1.071 0.000 0.514) 1.188 5.530 ( -1.714 0.000 -0.030) 1.714 5.530 ( 1.714 0.000 -0.030) 1.714 5.555 ( -1.643 0.000 0.034) 1.644 5.555 ( 1.643 0.000 0.034) 1.644 5.908 ( -0.073 0.000 0.060) 0.094 5.908 ( 0.073 0.000 0.060) 0.094 6.050 ( -0.385 0.000 0.414) 0.566 6.050 ( 0.385 0.000 0.414) 0.566 6.394 ( -0.002 0.000 0.362) 0.362 6.394 ( 0.002 0.000 0.362) 0.362 6.833 ( -0.094 0.000 -0.141) 0.169 6.833 ( 0.094 0.000 -0.141) 0.169 7.059 ( -1.018 0.000 0.829) 1.313 7.059 ( 1.018 0.000 0.829) 1.313 7.087 ( -2.226 0.000 -1.219) 2.538 7.087 ( 2.226 0.000 -1.219) 2.538 7.890 ( -2.695 0.000 2.353) 3.578 7.890 ( 2.695 0.000 2.353) 3.578 7.949 ( -3.011 0.000 -2.274) 3.773 7.949 ( 3.011 0.000 -2.274) 3.773 ======================= Grid point 170 (58/72) ======================= q-point: ( 0.00 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( 0.000 0.066 11.608) 11.609 1.003 ( 0.000 1.592 13.804) 13.895 1.033 ( 0.000 -0.773 -9.675) 9.705 1.176 ( 0.000 -1.589 1.423) 2.133 1.269 ( 0.000 -2.313 2.345) 3.294 1.304 ( 0.000 -1.474 -1.104) 1.841 1.383 ( 0.000 1.118 3.538) 3.710 1.435 ( 0.000 1.696 -1.185) 2.069 1.604 ( 0.000 0.110 -3.219) 3.221 1.646 ( 0.000 -1.224 7.464) 7.564 1.681 ( 0.000 -2.865 -8.946) 9.394 1.686 ( 0.000 1.582 0.304) 1.611 1.717 ( 0.000 0.645 4.071) 4.122 1.779 ( 0.000 2.145 -0.364) 2.176 1.910 ( 0.000 -0.797 4.640) 4.708 1.952 ( 0.000 0.428 1.931) 1.977 2.120 ( 0.000 -0.092 1.357) 1.360 2.143 ( 0.000 0.011 -0.755) 0.755 2.237 ( 0.000 -1.722 1.420) 2.232 2.292 ( 0.000 -2.663 -3.170) 4.140 2.348 ( 0.000 -3.806 3.285) 5.028 2.413 ( 0.000 -2.767 -4.521) 5.301 2.444 ( 0.000 1.728 1.720) 2.438 2.480 ( 0.000 0.503 3.094) 3.134 2.482 ( 0.000 1.244 -1.779) 2.171 2.544 ( 0.000 -0.737 -4.235) 4.299 2.727 ( 0.000 0.681 4.403) 4.455 2.731 ( 0.000 -0.906 3.859) 3.964 2.801 ( 0.000 -0.545 -3.307) 3.351 2.859 ( 0.000 -0.296 -7.944) 7.950 3.336 ( 0.000 0.349 1.670) 1.706 3.370 ( 0.000 0.844 -1.455) 1.682 3.435 ( 0.000 -0.320 9.114) 9.120 3.606 ( 0.000 -0.380 -8.864) 8.872 3.613 ( 0.000 -1.366 6.323) 6.469 3.758 ( 0.000 -1.432 -8.730) 8.847 4.554 ( 0.000 -0.276 0.638) 0.695 4.559 ( 0.000 0.133 0.092) 0.162 4.671 ( 0.000 -1.010 1.614) 1.904 4.698 ( 0.000 -1.810 -1.282) 2.218 5.407 ( 0.000 0.272 0.209) 0.343 5.413 ( 0.000 0.376 -0.486) 0.615 5.650 ( 0.000 -0.342 0.272) 0.437 5.652 ( 0.000 -0.285 0.023) 0.286 5.896 ( 0.000 -0.307 0.454) 0.548 5.903 ( 0.000 -0.304 -0.378) 0.486 6.047 ( 0.000 -0.327 1.217) 1.260 6.064 ( 0.000 -0.165 -0.558) 0.582 6.375 ( 0.000 -0.812 0.856) 1.180 6.388 ( 0.000 -0.219 -0.420) 0.473 6.847 ( 0.000 0.774 0.771) 1.093 6.862 ( 0.000 0.961 -0.745) 1.216 7.019 ( 0.000 0.056 0.235) 0.241 7.024 ( 0.000 0.061 -0.211) 0.220 7.116 ( 0.000 1.104 1.996) 2.281 7.161 ( 0.000 0.880 -2.639) 2.782 7.816 ( 0.000 -0.074 2.393) 2.394 7.859 ( 0.000 -0.080 -2.059) 2.061 7.965 ( 0.000 0.146 2.886) 2.889 8.022 ( 0.000 0.242 -3.019) 3.028 ======================= Grid point 171 (59/72) ======================= q-point: ( 0.25 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 4.210 0.072 10.679) 11.479 1.016 ( 2.128 1.897 8.022) 8.514 1.058 ( 2.210 -0.931 -6.357) 6.794 1.109 ( -5.591 -2.323 4.030) 7.273 1.194 ( -5.831 1.351 0.074) 5.986 1.298 ( -8.952 1.937 -2.162) 9.411 1.318 ( 1.889 -0.932 3.093) 3.742 1.459 ( -3.555 -0.184 -4.459) 5.706 1.579 ( 5.133 -1.322 5.544) 7.671 1.686 ( 2.068 -2.145 -4.582) 5.466 1.707 ( 3.240 -0.219 4.919) 5.894 1.741 ( 3.929 0.496 0.944) 4.071 1.817 ( 7.068 -0.241 1.593) 7.250 1.852 ( 5.990 -0.017 1.011) 6.075 1.913 ( 0.404 -0.812 3.990) 4.092 1.955 ( 0.612 0.498 0.552) 0.963 2.108 ( -0.489 0.063 1.269) 1.361 2.133 ( 0.436 0.595 -1.221) 1.427 2.238 ( 0.064 -1.855 1.572) 2.432 2.279 ( -1.402 -2.662 -1.462) 3.345 2.319 ( -2.537 -2.092 1.276) 3.527 2.368 ( -3.123 -0.489 -3.026) 4.376 2.406 ( -5.036 0.211 1.421) 5.236 2.454 ( -8.080 -0.338 -3.657) 8.875 2.514 ( 3.731 -0.442 0.700) 3.821 2.542 ( 4.123 0.636 -1.443) 4.414 2.686 ( -2.417 0.253 1.374) 2.792 2.692 ( -2.788 -0.312 1.263) 3.077 2.887 ( 6.620 -0.734 -0.912) 6.722 2.931 ( 5.696 -0.767 -5.206) 7.754 3.286 ( -4.398 -0.033 3.706) 5.752 3.337 ( -4.013 0.460 -1.612) 4.349 3.445 ( 0.732 0.091 5.892) 5.938 3.520 ( -4.323 0.047 0.772) 4.392 3.679 ( 2.998 -1.264 -2.839) 4.318 3.750 ( -0.980 -1.387 -7.675) 7.860 4.569 ( 1.569 -0.372 0.601) 1.721 4.573 ( 1.540 -0.004 0.092) 1.542 4.654 ( -1.675 -0.907 1.349) 2.334 4.674 ( -2.443 -1.472 -0.664) 2.929 5.448 ( 4.330 0.235 0.319) 4.348 5.456 ( 4.449 0.332 -0.534) 4.494 5.620 ( -3.333 -0.199 0.385) 3.362 5.625 ( -3.069 -0.148 -0.164) 3.077 5.898 ( 0.211 -0.453 0.298) 0.582 5.903 ( -0.041 -0.425 -0.222) 0.481 6.046 ( -0.056 -0.248 1.014) 1.046 6.058 ( -0.575 -0.150 -0.287) 0.660 6.378 ( 0.318 -0.836 0.910) 1.276 6.391 ( 0.320 -0.254 -0.379) 0.557 6.842 ( -0.471 0.695 0.549) 1.003 6.853 ( -0.751 0.954 -0.599) 1.354 7.035 ( 1.239 0.100 0.244) 1.267 7.040 ( 1.950 0.178 -0.254) 1.974 7.104 ( -1.286 1.052 1.598) 2.306 7.140 ( -2.170 0.837 -2.184) 3.191 7.839 ( 2.394 -0.068 2.499) 3.461 7.884 ( 2.482 -0.061 -2.110) 3.258 7.947 ( -1.785 0.176 2.678) 3.223 8.002 ( -2.191 0.231 -2.896) 3.639 ======================= Grid point 172 (60/72) ======================= q-point: (-0.50 0.09 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 0.000 -1.084 8.166) 8.238 0.982 ( -0.000 -0.069 8.159) 8.159 1.098 ( 0.000 -0.971 -1.446) 1.741 1.106 ( -0.000 0.212 -1.868) 1.880 1.116 ( 0.000 1.758 1.429) 2.265 1.166 ( 0.000 3.513 0.256) 3.522 1.370 ( -0.000 0.260 -0.903) 0.940 1.372 ( 0.000 -0.245 -1.920) 1.936 1.681 ( -0.000 -2.807 1.301) 3.094 1.682 ( 0.000 -3.011 1.523) 3.374 1.738 ( 0.000 -0.081 3.785) 3.785 1.781 ( -0.000 1.012 0.639) 1.197 1.882 ( 0.000 -1.022 4.806) 4.914 1.904 ( -0.000 -2.168 2.573) 3.365 1.943 ( 0.000 -0.295 0.293) 0.416 1.952 ( -0.000 0.313 0.640) 0.713 2.153 ( 0.000 0.612 2.231) 2.313 2.154 ( -0.000 -0.271 1.787) 1.808 2.232 ( 0.000 -1.429 0.341) 1.469 2.256 ( 0.000 -1.250 -2.695) 2.970 2.280 ( 0.000 -0.383 -1.782) 1.823 2.308 ( -0.000 0.790 -1.667) 1.845 2.333 ( 0.000 -1.260 -0.047) 1.260 2.376 ( -0.000 -0.172 -3.590) 3.595 2.558 ( 0.000 -1.082 0.874) 1.391 2.592 ( 0.000 0.303 -2.251) 2.271 2.658 ( 0.000 -0.034 1.180) 1.180 2.659 ( -0.000 0.157 0.923) 0.936 2.974 ( 0.000 -1.222 -2.295) 2.600 2.984 ( 0.000 -0.870 -2.638) 2.777 3.248 ( -0.000 -0.401 2.121) 2.159 3.263 ( 0.000 0.397 0.513) 0.649 3.454 ( 0.000 0.008 4.174) 4.174 3.481 ( -0.000 1.019 2.040) 2.280 3.715 ( 0.000 -1.683 -4.792) 5.079 3.731 ( -0.000 -1.056 -5.805) 5.900 4.594 ( 0.000 -0.397 0.450) 0.600 4.599 ( 0.000 -0.293 -0.080) 0.304 4.629 ( -0.000 -1.040 1.063) 1.487 4.637 ( -0.000 -0.825 0.239) 0.859 5.533 ( -0.000 0.271 0.172) 0.321 5.535 ( 0.000 0.425 -0.067) 0.431 5.552 ( -0.000 -0.225 0.084) 0.240 5.555 ( 0.000 -0.060 -0.200) 0.209 5.901 ( 0.000 -0.596 0.127) 0.609 5.902 ( -0.000 -0.542 -0.036) 0.543 6.048 ( -0.000 -0.192 0.463) 0.502 6.049 ( 0.000 -0.110 0.319) 0.338 6.382 ( 0.000 -0.857 0.962) 1.289 6.395 ( 0.000 -0.289 -0.329) 0.438 6.837 ( 0.000 0.605 0.348) 0.698 6.845 ( 0.000 0.978 -0.502) 1.099 7.054 ( 0.000 0.062 0.876) 0.879 7.067 ( -0.000 0.295 0.033) 0.297 7.092 ( 0.000 0.867 -0.433) 0.969 7.102 ( -0.000 0.991 -1.031) 1.430 7.883 ( -0.000 -0.334 2.533) 2.555 7.897 ( 0.000 0.285 2.021) 2.041 7.946 ( -0.000 -0.050 -2.111) 2.112 7.957 ( 0.000 0.422 -2.297) 2.336 ======================= Grid point 175 (61/72) ======================= q-point: ( 0.00 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( 0.000 0.941 9.952) 9.996 1.012 ( 0.000 -1.233 -8.231) 8.323 1.048 ( 0.000 2.721 9.237) 9.629 1.141 ( 0.000 -1.473 2.954) 3.301 1.215 ( 0.000 -2.721 3.359) 4.323 1.268 ( 0.000 -1.814 -1.824) 2.572 1.428 ( 0.000 2.526 3.540) 4.348 1.452 ( 0.000 0.232 -1.021) 1.047 1.601 ( 0.000 -2.091 -2.881) 3.560 1.607 ( 0.000 -2.551 7.623) 8.038 1.628 ( 0.000 -0.324 -7.713) 7.719 1.713 ( 0.000 0.386 -3.849) 3.868 1.740 ( 0.000 1.407 6.624) 6.772 1.820 ( 0.000 1.726 -2.154) 2.760 1.889 ( 0.000 -1.197 3.497) 3.697 1.954 ( 0.000 -0.327 -0.788) 0.853 2.118 ( 0.000 -0.105 1.262) 1.266 2.139 ( 0.000 -0.601 -0.426) 0.737 2.195 ( 0.000 -2.284 1.506) 2.736 2.248 ( 0.000 -1.404 -2.102) 2.528 2.270 ( 0.000 -3.345 2.392) 4.112 2.335 ( 0.000 -4.450 -5.000) 6.693 2.469 ( 0.000 0.709 1.533) 1.689 2.477 ( 0.000 -0.711 2.078) 2.196 2.503 ( 0.000 0.602 -1.318) 1.449 2.524 ( 0.000 -1.253 -3.762) 3.965 2.707 ( 0.000 -1.455 4.373) 4.608 2.740 ( 0.000 0.535 3.782) 3.819 2.784 ( 0.000 -1.101 -3.583) 3.749 2.848 ( 0.000 -0.843 -6.610) 6.664 3.345 ( 0.000 0.382 2.653) 2.681 3.389 ( 0.000 0.864 -1.550) 1.775 3.427 ( 0.000 -0.391 8.831) 8.840 3.579 ( 0.000 -1.761 6.371) 6.610 3.596 ( 0.000 -0.598 -8.844) 8.865 3.722 ( 0.000 -1.925 -8.392) 8.610 4.546 ( 0.000 -0.512 1.283) 1.382 4.562 ( 0.000 0.109 -0.400) 0.415 4.642 ( 0.000 -1.903 1.363) 2.340 4.657 ( 0.000 -1.903 -0.398) 1.944 5.414 ( 0.000 0.463 0.363) 0.588 5.424 ( 0.000 0.622 -0.614) 0.875 5.641 ( 0.000 -0.561 0.295) 0.634 5.644 ( 0.000 -0.486 -0.090) 0.494 5.887 ( 0.000 -0.522 0.411) 0.664 5.894 ( 0.000 -0.617 -0.317) 0.694 6.039 ( 0.000 -0.371 1.393) 1.441 6.061 ( 0.000 -0.088 -0.885) 0.889 6.355 ( 0.000 -1.041 1.271) 1.643 6.379 ( 0.000 -0.642 -1.015) 1.202 6.870 ( 0.000 1.432 1.116) 1.815 6.888 ( 0.000 1.533 -0.713) 1.691 7.022 ( 0.000 0.228 0.295) 0.373 7.027 ( 0.000 0.270 -0.226) 0.352 7.145 ( 0.000 1.601 2.003) 2.564 7.184 ( 0.000 1.344 -2.115) 2.506 7.815 ( 0.000 -0.061 2.332) 2.332 7.857 ( 0.000 -0.112 -2.056) 2.059 7.968 ( 0.000 0.168 3.027) 3.032 8.028 ( 0.000 0.351 -3.169) 3.189 ======================= Grid point 176 (62/72) ======================= q-point: ( 0.25 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.873 ( 3.493 0.399 9.358) 9.996 1.029 ( 1.749 -1.758 -6.942) 7.372 1.054 ( -3.864 0.218 6.378) 7.460 1.084 ( 1.504 1.296 4.925) 5.310 1.210 ( -4.480 0.480 -0.301) 4.515 1.286 ( 2.999 -1.263 -3.723) 4.945 1.362 ( -5.382 3.183 5.939) 8.624 1.456 ( -2.150 -0.205 -0.875) 2.330 1.557 ( 0.940 -0.561 2.784) 2.991 1.618 ( 1.280 -3.784 -3.473) 5.293 1.701 ( 3.510 -1.087 2.336) 4.354 1.748 ( 3.342 -0.303 -1.145) 3.546 1.797 ( 4.516 -1.471 3.562) 5.936 1.853 ( 2.193 0.009 -1.419) 2.612 1.899 ( 1.434 -0.576 2.523) 2.959 1.956 ( 0.070 -0.494 -1.673) 1.746 2.111 ( -0.120 -0.029 1.357) 1.362 2.132 ( 0.046 -1.203 -0.381) 1.262 2.200 ( 0.609 -1.379 1.302) 1.992 2.236 ( 0.211 -1.133 -1.264) 1.710 2.272 ( -0.464 -2.342 0.738) 2.499 2.325 ( -0.830 -3.176 -4.658) 5.698 2.407 ( -6.083 -0.102 1.793) 6.342 2.447 ( -6.593 -0.501 -3.186) 7.340 2.510 ( 2.618 -0.036 1.969) 3.276 2.551 ( 3.558 0.178 -1.517) 3.872 2.676 ( -2.624 -1.000 2.375) 3.677 2.691 ( -2.559 -0.190 0.488) 2.612 2.868 ( 6.056 -1.065 -0.904) 6.215 2.908 ( 5.035 -1.410 -4.676) 7.014 3.284 ( -4.946 -0.283 4.346) 6.590 3.344 ( -4.988 0.085 -1.938) 5.352 3.450 ( 1.395 0.463 6.257) 6.427 3.520 ( -2.719 -0.078 2.517) 3.706 3.649 ( 2.612 -1.551 -4.250) 5.224 3.714 ( -0.877 -1.919 -7.629) 7.916 4.558 ( 1.294 -0.676 1.267) 1.933 4.573 ( 1.196 -0.043 -0.382) 1.257 4.627 ( -1.467 -1.775 1.309) 2.649 4.641 ( -1.634 -1.501 -0.257) 2.234 5.455 ( 4.188 0.369 0.462) 4.230 5.465 ( 4.284 0.513 -0.648) 4.363 5.614 ( -2.970 -0.334 0.407) 3.017 5.620 ( -2.697 -0.267 -0.262) 2.723 5.886 ( -0.058 -0.657 0.282) 0.717 5.891 ( -0.256 -0.698 -0.224) 0.776 6.040 ( 0.069 -0.331 1.105) 1.155 6.055 ( -0.598 -0.139 -0.523) 0.806 6.359 ( 0.289 -1.046 1.275) 1.674 6.381 ( 0.222 -0.715 -0.943) 1.204 6.863 ( -0.644 1.303 0.927) 1.724 6.878 ( -0.812 1.432 -0.635) 1.764 7.040 ( 1.558 0.462 0.341) 1.660 7.046 ( 2.130 0.473 -0.240) 2.195 7.130 ( -1.469 1.456 1.612) 2.622 7.162 ( -2.303 1.243 -1.716) 3.130 7.838 ( 2.388 -0.047 2.482) 3.445 7.883 ( 2.507 -0.075 -2.074) 3.254 7.952 ( -1.669 0.213 2.719) 3.197 8.008 ( -2.220 0.327 -3.005) 3.751 ======================= Grid point 177 (63/72) ======================= q-point: (-0.50 0.18 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 0.000 -1.455 7.659) 7.796 0.984 ( -0.000 0.526 8.562) 8.578 1.056 ( 0.000 -2.789 -4.151) 5.000 1.114 ( -0.000 0.579 -4.141) 4.182 1.180 ( -0.000 4.024 2.903) 4.962 1.242 ( 0.000 3.511 -0.282) 3.522 1.375 ( 0.000 0.720 1.752) 1.894 1.391 ( -0.000 1.578 0.606) 1.691 1.603 ( -0.000 -4.276 1.004) 4.392 1.619 ( 0.000 -2.962 -0.383) 2.987 1.733 ( 0.000 -0.788 3.273) 3.367 1.784 ( 0.000 -0.945 1.436) 1.719 1.841 ( 0.000 -3.774 1.988) 4.266 1.870 ( 0.000 -0.306 0.249) 0.395 1.931 ( 0.000 -1.050 -1.765) 2.054 1.945 ( -0.000 -0.760 -0.494) 0.907 2.122 ( 0.000 -2.801 1.761) 3.308 2.145 ( 0.000 -1.968 -0.369) 2.002 2.228 ( -0.000 1.065 2.539) 2.753 2.241 ( 0.000 0.074 -1.315) 1.317 2.279 ( 0.000 0.158 -2.981) 2.985 2.297 ( -0.000 -2.288 1.194) 2.581 2.329 ( -0.000 1.184 -2.726) 2.972 2.353 ( 0.000 -1.667 -2.828) 3.283 2.544 ( -0.000 -0.297 2.501) 2.518 2.594 ( 0.000 -0.152 -2.025) 2.030 2.650 ( 0.000 -0.749 1.306) 1.505 2.657 ( -0.000 -0.492 0.531) 0.724 2.946 ( 0.000 -1.510 -2.240) 2.701 2.958 ( -0.000 -1.641 -2.510) 2.999 3.236 ( -0.000 -0.850 3.094) 3.209 3.268 ( 0.000 0.019 -0.312) 0.313 3.463 ( 0.000 0.940 5.266) 5.349 3.497 ( -0.000 0.456 3.131) 3.164 3.678 ( 0.000 -1.702 -5.393) 5.655 3.699 ( -0.000 -1.899 -6.339) 6.618 4.585 ( 0.000 -1.153 0.816) 1.412 4.586 ( -0.000 -0.464 0.721) 0.857 4.609 ( 0.000 -0.742 0.397) 0.842 4.613 ( -0.000 -1.428 0.091) 1.431 5.538 ( 0.000 0.152 0.529) 0.551 5.544 ( 0.000 0.117 0.530) 0.543 5.548 ( 0.000 0.156 -0.531) 0.553 5.555 ( -0.000 0.108 -0.572) 0.582 5.886 ( 0.000 -0.775 0.109) 0.783 5.888 ( -0.000 -0.802 -0.076) 0.806 6.043 ( -0.000 -0.278 0.481) 0.556 6.046 ( 0.000 -0.202 0.172) 0.266 6.362 ( 0.000 -1.048 1.273) 1.649 6.384 ( 0.000 -0.788 -0.863) 1.168 6.856 ( 0.000 1.200 0.787) 1.435 6.870 ( 0.000 1.373 -0.625) 1.509 7.062 ( 0.000 0.761 0.877) 1.161 7.076 ( -0.000 0.659 -0.270) 0.712 7.115 ( 0.000 1.255 0.084) 1.257 7.124 ( -0.000 1.089 -0.640) 1.263 7.877 ( -0.000 -0.163 2.647) 2.652 7.901 ( 0.000 0.092 1.593) 1.596 7.947 ( -0.000 0.191 -1.816) 1.826 7.965 ( 0.000 0.363 -2.309) 2.337 ======================= Grid point 180 (64/72) ======================= q-point: ( 0.00 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.871 ( 0.000 2.101 6.158) 6.506 0.986 ( 0.000 -1.263 -6.106) 6.235 1.106 ( 0.000 2.813 4.535) 5.336 1.133 ( 0.000 1.029 3.479) 3.628 1.171 ( 0.000 -1.480 4.665) 4.894 1.240 ( 0.000 -0.820 -2.136) 2.288 1.434 ( 0.000 -1.099 -2.996) 3.192 1.466 ( 0.000 -0.310 -2.495) 2.515 1.542 ( 0.000 -3.957 8.173) 9.080 1.571 ( 0.000 0.308 3.123) 3.138 1.639 ( 0.000 0.663 -2.973) 3.046 1.685 ( 0.000 -3.337 -4.293) 5.438 1.765 ( 0.000 0.923 2.081) 2.276 1.843 ( 0.000 0.516 -3.877) 3.912 1.866 ( 0.000 -1.038 1.255) 1.629 1.935 ( 0.000 -1.466 -4.356) 4.596 2.105 ( 0.000 -1.703 0.581) 1.800 2.111 ( 0.000 -1.981 1.294) 2.366 2.158 ( 0.000 -1.112 3.998) 4.150 2.232 ( 0.000 -0.310 0.381) 0.491 2.234 ( 0.000 -0.137 -2.588) 2.592 2.264 ( 0.000 -1.830 -2.912) 3.439 2.456 ( 0.000 -1.295 0.872) 1.561 2.472 ( 0.000 -0.398 1.631) 1.679 2.493 ( 0.000 -1.772 -3.690) 4.094 2.502 ( 0.000 -0.687 -0.900) 1.132 2.676 ( 0.000 -1.518 4.771) 5.006 2.744 ( 0.000 -0.164 2.961) 2.965 2.758 ( 0.000 -1.425 -3.665) 3.932 2.823 ( 0.000 -1.564 -4.750) 5.000 3.342 ( 0.000 -0.894 3.574) 3.684 3.399 ( 0.000 -0.018 -2.076) 2.076 3.421 ( 0.000 -0.206 8.323) 8.326 3.555 ( 0.000 -0.340 6.462) 6.471 3.584 ( 0.000 -0.577 -8.703) 8.722 3.691 ( 0.000 -0.934 -7.596) 7.653 4.535 ( 0.000 -0.617 2.016) 2.108 4.562 ( 0.000 -0.049 -0.939) 0.941 4.600 ( 0.000 -1.913 2.019) 2.782 4.626 ( 0.000 -1.300 -0.788) 1.520 5.425 ( 0.000 0.508 0.555) 0.752 5.437 ( 0.000 0.666 -0.757) 1.008 5.628 ( 0.000 -0.596 0.301) 0.668 5.634 ( 0.000 -0.527 -0.229) 0.574 5.876 ( 0.000 -0.555 0.258) 0.612 5.880 ( 0.000 -0.730 -0.161) 0.748 6.033 ( 0.000 -0.214 1.644) 1.658 6.061 ( 0.000 0.081 -1.263) 1.266 6.334 ( 0.000 -0.995 1.489) 1.791 6.364 ( 0.000 -0.786 -1.445) 1.645 6.902 ( 0.000 1.676 1.357) 2.157 6.921 ( 0.000 1.593 -0.486) 1.666 7.028 ( 0.000 0.360 0.384) 0.526 7.034 ( 0.000 0.410 -0.242) 0.476 7.177 ( 0.000 1.540 2.071) 2.580 7.212 ( 0.000 1.314 -1.531) 2.018 7.814 ( 0.000 0.014 2.216) 2.216 7.855 ( 0.000 -0.094 -1.987) 1.989 7.971 ( 0.000 0.081 3.223) 3.224 8.035 ( 0.000 0.309 -3.401) 3.415 ======================= Grid point 181 (65/72) ======================= q-point: ( 0.25 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 1.729 1.181 5.684) 6.057 0.990 ( 0.438 -1.956 -5.174) 5.548 1.057 ( -4.000 1.197 6.153) 7.436 1.131 ( 1.195 2.337 -0.236) 2.635 1.227 ( 0.621 1.369 1.259) 1.961 1.268 ( 5.456 -0.479 0.077) 5.478 1.406 ( -2.635 0.923 1.746) 3.293 1.452 ( -1.980 -0.311 -0.220) 2.016 1.539 ( -1.387 -2.059 2.130) 3.271 1.566 ( 1.062 -0.892 1.923) 2.371 1.657 ( 2.194 -2.568 -0.561) 3.424 1.712 ( 2.104 -3.587 -2.639) 4.925 1.774 ( 0.570 -0.631 1.648) 1.855 1.852 ( 0.596 -0.176 -3.320) 3.377 1.885 ( 1.678 -1.070 0.138) 1.995 1.934 ( -0.251 -1.525 -3.755) 4.061 2.086 ( -1.706 -2.003 1.235) 2.907 2.096 ( -1.048 -2.314 -0.249) 2.552 2.183 ( 2.592 -0.749 3.096) 4.107 2.234 ( 1.476 0.501 -0.633) 1.682 2.243 ( 0.820 -0.017 -1.472) 1.685 2.273 ( 0.374 -1.450 -2.485) 2.902 2.403 ( -4.813 -0.234 0.867) 4.896 2.433 ( -5.054 -0.767 -2.957) 5.906 2.506 ( 2.426 -0.491 2.295) 3.375 2.544 ( 3.275 -0.934 -1.079) 3.572 2.650 ( -2.288 -1.484 2.901) 3.981 2.678 ( -3.248 -1.007 -0.081) 3.401 2.846 ( 5.529 -1.175 -0.865) 5.719 2.875 ( 4.523 -1.807 -3.657) 6.091 3.272 ( -5.552 -0.901 4.625) 7.282 3.334 ( -5.767 -1.094 -1.543) 6.069 3.461 ( 2.270 0.492 5.648) 6.107 3.520 ( -1.817 0.330 4.069) 4.468 3.624 ( 2.401 -0.858 -5.373) 5.948 3.682 ( -0.956 -0.994 -7.135) 7.267 4.543 ( 0.889 -0.800 2.021) 2.348 4.571 ( 0.898 -0.220 -0.956) 1.329 4.590 ( -1.045 -1.664 2.023) 2.820 4.616 ( -1.030 -1.045 -0.793) 1.668 5.462 ( 3.903 0.358 0.622) 3.969 5.476 ( 3.948 0.491 -0.778) 4.054 5.607 ( -2.470 -0.364 0.423) 2.533 5.615 ( -2.209 -0.306 -0.371) 2.260 5.874 ( -0.204 -0.575 0.189) 0.639 5.876 ( -0.307 -0.695 -0.130) 0.771 6.033 ( 0.079 -0.253 1.250) 1.278 6.053 ( -0.774 -0.038 -0.823) 1.131 6.338 ( 0.323 -0.958 1.369) 1.701 6.364 ( 0.057 -0.890 -1.267) 1.549 6.892 ( -0.888 1.494 1.143) 2.080 6.908 ( -1.002 1.400 -0.454) 1.780 7.053 ( 2.105 0.716 0.426) 2.264 7.058 ( 2.558 0.694 -0.140) 2.655 7.159 ( -1.835 1.358 1.708) 2.851 7.187 ( -2.543 1.196 -1.225) 3.066 7.838 ( 2.402 0.031 2.430) 3.416 7.882 ( 2.544 -0.058 -1.950) 3.206 7.955 ( -1.536 0.126 2.772) 3.172 8.014 ( -2.281 0.276 -3.185) 3.927 ======================= Grid point 182 (66/72) ======================= q-point: (-0.50 0.27 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 -0.425 4.815) 4.834 0.995 ( 0.000 -2.503 -3.670) 4.442 1.016 ( 0.000 2.329 7.055) 7.430 1.132 ( -0.000 1.285 -4.315) 4.502 1.267 ( -0.000 4.339 1.133) 4.484 1.299 ( 0.000 1.986 -1.175) 2.308 1.389 ( 0.000 0.308 5.404) 5.412 1.418 ( -0.000 0.683 1.758) 1.886 1.525 ( -0.000 -3.128 1.706) 3.563 1.579 ( -0.000 -0.906 -1.768) 1.987 1.684 ( -0.000 -4.269 2.125) 4.769 1.733 ( 0.000 -4.119 -0.779) 4.192 1.778 ( 0.000 -1.820 0.327) 1.849 1.859 ( -0.000 -1.009 -4.304) 4.421 1.903 ( 0.000 -1.523 -1.162) 1.916 1.928 ( 0.000 -1.035 -0.935) 1.395 2.069 ( 0.000 -1.863 0.464) 1.920 2.085 ( 0.000 -3.397 -1.799) 3.844 2.236 ( 0.000 -1.784 2.405) 2.995 2.237 ( -0.000 -0.753 1.963) 2.103 2.265 ( 0.000 0.473 -1.168) 1.260 2.289 ( -0.000 1.042 -4.228) 4.354 2.339 ( -0.000 0.560 0.269) 0.621 2.353 ( 0.000 1.211 -1.872) 2.229 2.539 ( -0.000 -0.449 2.946) 2.980 2.582 ( 0.000 -1.100 -0.923) 1.435 2.628 ( 0.000 -1.396 1.197) 1.839 2.637 ( 0.000 -1.436 0.198) 1.450 2.916 ( 0.000 -1.436 -2.349) 2.753 2.921 ( -0.000 -1.879 -2.091) 2.811 3.213 ( 0.000 -1.344 3.978) 4.199 3.259 ( 0.000 -1.058 -0.736) 1.288 3.488 ( 0.000 1.365 5.088) 5.268 3.498 ( -0.000 -0.148 4.661) 4.664 3.655 ( 0.000 -0.472 -6.046) 6.065 3.663 ( -0.000 -1.466 -6.233) 6.403 4.558 ( 0.000 -1.329 2.008) 2.408 4.573 ( -0.000 -0.959 2.025) 2.241 4.587 ( 0.000 -0.871 -1.032) 1.350 4.598 ( -0.000 -0.423 -0.717) 0.832 5.537 ( 0.000 -0.218 0.401) 0.456 5.539 ( -0.000 -0.357 0.251) 0.436 5.559 ( 0.000 0.529 -0.285) 0.600 5.561 ( -0.000 0.377 -0.450) 0.587 5.872 ( 0.000 -0.607 0.056) 0.610 5.873 ( -0.000 -0.665 -0.036) 0.666 6.037 ( -0.000 -0.233 0.445) 0.502 6.042 ( 0.000 -0.218 0.034) 0.221 6.342 ( 0.000 -0.903 1.226) 1.522 6.365 ( 0.000 -1.012 -1.063) 1.468 6.882 ( 0.000 1.368 1.018) 1.706 6.898 ( 0.000 1.301 -0.502) 1.395 7.083 ( 0.000 1.205 0.920) 1.516 7.094 ( -0.000 1.050 -0.035) 1.051 7.138 ( 0.000 1.029 0.213) 1.051 7.144 ( -0.000 0.874 -0.252) 0.910 7.876 ( -0.000 0.043 2.706) 2.706 7.901 ( 0.000 -0.078 1.451) 1.453 7.952 ( -0.000 0.290 -1.728) 1.752 7.971 ( 0.000 0.180 -2.347) 2.354 ======================= Grid point 185 (67/72) ======================= q-point: ( 0.00 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.000 1.977 2.037) 2.839 0.967 ( 0.000 -0.477 -3.518) 3.550 1.162 ( 0.000 0.763 5.631) 5.682 1.166 ( 0.000 3.572 1.314) 3.806 1.176 ( 0.000 2.484 1.718) 3.020 1.240 ( 0.000 0.901 -2.253) 2.427 1.403 ( 0.000 -1.773 -2.177) 2.808 1.443 ( 0.000 -1.622 -4.835) 5.100 1.452 ( 0.000 -4.659 5.976) 7.578 1.576 ( 0.000 -0.447 4.663) 4.684 1.582 ( 0.000 -6.527 -6.007) 8.871 1.659 ( 0.000 1.162 -3.079) 3.291 1.772 ( 0.000 -0.218 0.377) 0.436 1.846 ( 0.000 -0.037 -5.559) 5.559 1.847 ( 0.000 -0.693 1.368) 1.533 1.906 ( 0.000 -1.190 -4.071) 4.241 2.062 ( 0.000 -1.827 1.441) 2.327 2.072 ( 0.000 -1.561 1.192) 1.964 2.151 ( 0.000 0.294 4.750) 4.760 2.236 ( 0.000 0.253 -3.285) 3.295 2.248 ( 0.000 1.415 0.255) 1.438 2.259 ( 0.000 0.736 -0.870) 1.140 2.428 ( 0.000 -1.430 -0.471) 1.506 2.455 ( 0.000 -1.907 -3.619) 4.091 2.458 ( 0.000 -0.830 1.469) 1.687 2.479 ( 0.000 -1.403 -0.342) 1.444 2.649 ( 0.000 -1.080 4.838) 4.957 2.730 ( 0.000 -1.256 -3.495) 3.714 2.736 ( 0.000 -0.589 2.025) 2.109 2.787 ( 0.000 -1.835 -2.957) 3.480 3.314 ( 0.000 -1.552 4.447) 4.710 3.387 ( 0.000 -0.929 -2.972) 3.114 3.419 ( 0.000 -0.001 7.741) 7.741 3.566 ( 0.000 1.105 6.191) 6.289 3.574 ( 0.000 -0.383 -8.452) 8.461 3.686 ( 0.000 0.252 -6.333) 6.338 4.523 ( 0.000 -0.513 2.589) 2.639 4.560 ( 0.000 -0.153 -1.338) 1.346 4.569 ( 0.000 -1.194 2.522) 2.790 4.604 ( 0.000 -0.852 -1.275) 1.534 5.434 ( 0.000 0.390 0.721) 0.820 5.449 ( 0.000 0.502 -0.867) 1.002 5.618 ( 0.000 -0.443 0.290) 0.530 5.624 ( 0.000 -0.398 -0.352) 0.532 5.866 ( 0.000 -0.397 0.075) 0.404 5.866 ( 0.000 -0.548 0.018) 0.548 6.031 ( 0.000 -0.065 1.880) 1.881 6.064 ( 0.000 0.137 -1.552) 1.558 6.317 ( 0.000 -0.717 1.583) 1.738 6.349 ( 0.000 -0.621 -1.714) 1.823 6.934 ( 0.000 1.362 1.406) 1.958 6.949 ( 0.000 1.154 -0.125) 1.161 7.035 ( 0.000 0.327 0.469) 0.572 7.042 ( 0.000 0.359 -0.243) 0.434 7.204 ( 0.000 1.087 2.129) 2.390 7.235 ( 0.000 0.913 -1.035) 1.380 7.815 ( 0.000 0.069 2.077) 2.078 7.854 ( 0.000 -0.055 -1.854) 1.855 7.971 ( 0.000 -0.010 3.410) 3.410 8.040 ( 0.000 0.186 -3.650) 3.654 ======================= Grid point 186 (68/72) ======================= q-point: ( 0.25 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 0.079 1.395 1.794) 2.274 0.959 ( -0.674 -0.979 -2.971) 3.200 1.109 ( -2.053 3.778 4.333) 6.104 1.178 ( -0.537 2.537 -2.553) 3.639 1.253 ( 5.131 1.019 2.555) 5.821 1.276 ( 4.699 1.291 1.053) 4.986 1.410 ( 0.011 -0.404 -0.380) 0.555 1.433 ( -0.132 -1.295 -1.558) 2.030 1.489 ( 1.084 -3.555 1.752) 4.109 1.522 ( -1.644 -3.337 2.586) 4.531 1.617 ( 1.391 -4.843 -3.920) 6.384 1.637 ( -2.051 0.155 -3.327) 3.911 1.764 ( -0.764 -0.465 0.875) 1.251 1.842 ( -0.688 -0.867 -2.037) 2.318 1.858 ( 1.006 -1.189 -2.220) 2.712 1.900 ( -0.475 -1.725 -3.303) 3.756 2.053 ( -1.155 -1.268 0.877) 1.926 2.059 ( -0.732 -0.650 0.699) 1.203 2.169 ( 1.726 -0.470 3.778) 4.180 2.236 ( -0.609 -0.662 -2.716) 2.861 2.259 ( 1.543 1.660 0.326) 2.290 2.277 ( 2.110 1.131 -1.544) 2.848 2.398 ( -2.609 -0.226 -0.009) 2.619 2.419 ( -2.906 -0.593 -2.701) 4.012 2.491 ( 2.454 -0.951 1.885) 3.237 2.516 ( 2.969 -1.745 -0.455) 3.473 2.620 ( -2.344 -1.412 3.107) 4.140 2.655 ( -3.953 -1.187 -0.437) 4.150 2.822 ( 5.160 -1.103 -0.880) 5.350 2.839 ( 4.480 -1.726 -2.448) 5.389 3.251 ( -5.586 -1.071 4.355) 7.164 3.304 ( -6.324 -1.656 -0.604) 6.565 3.468 ( 2.635 0.206 4.632) 5.333 3.534 ( -1.616 0.772 2.919) 3.425 3.614 ( 2.317 -0.055 -4.363) 4.940 3.675 ( -1.096 0.156 -5.980) 6.082 4.528 ( 0.536 -0.623 2.516) 2.647 4.557 ( -0.436 -1.036 0.982) 1.492 4.571 ( 0.396 -0.266 0.197) 0.516 4.599 ( -0.548 -0.670 -1.221) 1.496 5.468 ( 3.542 0.240 0.740) 3.627 5.484 ( 3.516 0.326 -0.885) 3.640 5.600 ( -1.995 -0.275 0.425) 2.058 5.609 ( -1.766 -0.241 -0.460) 1.841 5.864 ( -0.176 -0.347 0.074) 0.396 5.864 ( -0.179 -0.464 0.021) 0.498 6.030 ( -0.002 -0.125 1.393) 1.399 6.053 ( -1.016 0.030 -1.073) 1.478 6.321 ( 0.450 -0.649 1.278) 1.502 6.347 ( -0.176 -0.737 -1.360) 1.557 6.920 ( -1.138 1.207 1.108) 1.994 6.932 ( -1.242 0.926 -0.104) 1.553 7.067 ( 2.647 0.671 0.484) 2.774 7.072 ( 3.086 0.605 0.013) 3.145 7.183 ( -2.221 0.948 1.804) 3.014 7.208 ( -2.781 0.828 -0.821) 3.016 7.839 ( 2.434 0.084 2.344) 3.380 7.881 ( 2.554 -0.040 -1.741) 3.091 7.957 ( -1.414 0.027 2.805) 3.142 8.018 ( -2.354 0.158 -3.388) 4.128 ======================= Grid point 187 (69/72) ======================= q-point: (-0.50 0.36 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( 0.000 0.821 1.511) 1.720 0.951 ( 0.000 -1.463 -2.423) 2.830 1.091 ( 0.000 4.681 4.518) 6.506 1.169 ( -0.000 2.513 -3.528) 4.331 1.317 ( 0.000 0.066 1.777) 1.778 1.340 ( -0.000 2.299 -0.444) 2.341 1.398 ( 0.000 0.963 2.430) 2.614 1.418 ( 0.000 0.018 0.639) 0.639 1.478 ( -0.000 -1.893 2.421) 3.073 1.535 ( 0.000 -4.995 0.214) 4.999 1.613 ( 0.000 -1.331 -3.443) 3.691 1.629 ( 0.000 -5.513 -4.183) 6.920 1.756 ( 0.000 -0.727 0.903) 1.160 1.830 ( -0.000 -1.884 -2.105) 2.825 1.870 ( 0.000 -1.543 -1.964) 2.498 1.896 ( 0.000 -2.111 -2.418) 3.210 2.039 ( -0.000 -0.695 0.930) 1.161 2.054 ( 0.000 0.136 -0.475) 0.494 2.198 ( 0.000 -1.463 1.820) 2.335 2.213 ( -0.000 -1.284 -0.080) 1.287 2.288 ( 0.000 1.276 -0.852) 1.535 2.311 ( 0.000 0.870 -3.595) 3.699 2.363 ( -0.000 1.501 1.077) 1.847 2.378 ( 0.000 1.207 -1.105) 1.636 2.523 ( -0.000 -1.075 2.494) 2.716 2.550 ( 0.000 -1.998 -0.132) 2.002 2.598 ( 0.000 -1.385 0.985) 1.700 2.604 ( 0.000 -1.606 0.440) 1.665 2.886 ( 0.000 -1.521 -1.654) 2.247 2.888 ( 0.000 -1.336 -2.228) 2.598 3.187 ( -0.000 -1.058 3.902) 4.043 3.227 ( 0.000 -1.912 -0.081) 1.914 3.500 ( 0.000 0.348 4.363) 4.377 3.511 ( -0.000 0.763 3.928) 4.001 3.646 ( 0.000 -0.174 -5.193) 5.196 3.654 ( -0.000 0.150 -5.328) 5.331 4.536 ( 0.000 -0.808 2.353) 2.488 4.550 ( -0.000 -1.122 2.072) 2.356 4.578 ( -0.000 -0.160 -0.905) 0.919 4.590 ( 0.000 -0.392 -1.066) 1.136 5.532 ( 0.000 -0.234 0.176) 0.293 5.532 ( -0.000 -0.272 0.138) 0.305 5.567 ( 0.000 0.306 -0.212) 0.372 5.567 ( -0.000 0.267 -0.251) 0.367 5.862 ( -0.006 -0.351 0.045) 0.354 5.862 ( 0.006 -0.325 0.049) 0.329 6.034 ( -0.000 -0.100 0.333) 0.347 6.038 ( 0.000 -0.174 -0.021) 0.176 6.327 ( 0.000 -0.499 0.851) 0.987 6.345 ( 0.000 -0.935 -0.881) 1.285 6.908 ( 0.000 1.117 0.974) 1.482 6.920 ( 0.000 0.834 -0.187) 0.855 7.108 ( 0.000 1.170 0.982) 1.527 7.115 ( -0.000 0.995 0.325) 1.047 7.155 ( 0.000 0.574 0.260) 0.630 7.158 ( -0.000 0.482 0.011) 0.483 7.879 ( -0.000 0.228 2.667) 2.677 7.898 ( 0.000 -0.234 1.705) 1.721 7.958 ( -0.000 0.308 -1.931) 1.955 7.972 ( -0.000 -0.038 -2.385) 2.385 ======================= Grid point 190 (70/72) ======================= q-point: ( 0.00 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 117 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 0.000 0.293 1.424) 1.454 0.969 ( 0.000 0.333 -1.810) 1.840 1.196 ( 0.000 1.901 5.527) 5.845 1.217 ( 0.000 1.331 1.743) 2.193 1.244 ( 0.000 3.223 -1.616) 3.606 1.274 ( 0.000 1.997 -2.344) 3.079 1.371 ( 0.000 -1.065 -1.957) 2.228 1.375 ( 0.000 -1.898 1.058) 2.173 1.402 ( 0.000 -2.082 -4.451) 4.914 1.445 ( 0.000 -5.972 -5.760) 8.297 1.564 ( 0.000 -0.407 4.171) 4.190 1.670 ( 0.000 -0.006 -6.183) 6.183 1.764 ( 0.000 -0.345 0.546) 0.646 1.845 ( 0.000 -0.026 -6.499) 6.499 1.849 ( 0.000 0.722 2.867) 2.957 1.885 ( 0.000 -0.916 -1.122) 1.449 2.039 ( 0.000 -0.536 2.108) 2.175 2.054 ( 0.000 -0.329 1.145) 1.191 2.160 ( 0.000 0.365 3.935) 3.952 2.241 ( 0.000 0.146 -3.624) 3.627 2.272 ( 0.000 0.771 0.526) 0.933 2.277 ( 0.000 0.659 0.189) 0.686 2.405 ( 0.000 -0.616 -1.879) 1.977 2.422 ( 0.000 -1.152 -3.493) 3.678 2.445 ( 0.000 -0.358 1.148) 1.203 2.455 ( 0.000 -0.812 0.241) 0.847 2.634 ( 0.000 -0.372 4.678) 4.692 2.711 ( 0.000 -0.512 -3.270) 3.310 2.726 ( 0.000 -0.275 1.208) 1.239 2.758 ( 0.000 -0.896 -1.762) 1.977 3.290 ( 0.000 -0.676 4.894) 4.941 3.371 ( 0.000 -0.483 -3.385) 3.419 3.419 ( 0.000 0.034 7.351) 7.351 3.569 ( 0.000 -0.130 -8.245) 8.246 3.586 ( 0.000 0.633 5.800) 5.834 3.693 ( 0.000 0.278 -5.423) 5.430 4.515 ( 0.000 -0.201 2.887) 2.894 4.553 ( 0.000 -0.402 2.721) 2.751 4.557 ( 0.000 -0.082 -1.530) 1.533 4.592 ( 0.000 -0.305 -1.511) 1.541 5.439 ( 0.000 0.146 0.815) 0.828 5.456 ( 0.000 0.186 -0.925) 0.944 5.611 ( 0.000 -0.162 0.276) 0.320 5.618 ( 0.000 -0.147 -0.424) 0.449 5.859 ( 0.000 -0.197 0.132) 0.237 5.861 ( 0.000 -0.138 -0.038) 0.144 6.030 ( 0.000 -0.007 2.016) 2.016 6.066 ( 0.000 0.063 -1.699) 1.700 6.307 ( 0.000 -0.263 1.622) 1.644 6.340 ( 0.000 -0.233 -1.848) 1.863 6.954 ( 0.000 0.540 1.328) 1.434 6.965 ( 0.000 0.401 0.188) 0.443 7.040 ( 0.000 0.132 0.517) 0.533 7.048 ( 0.000 0.141 -0.235) 0.274 7.220 ( 0.000 0.392 2.146) 2.181 7.247 ( 0.000 0.320 -0.740) 0.806 7.817 ( 0.000 0.040 1.976) 1.976 7.853 ( 0.000 -0.018 -1.739) 1.739 7.971 ( 0.000 -0.020 3.525) 3.525 8.042 ( 0.000 0.058 -3.815) 3.815 ======================= Grid point 191 (71/72) ======================= q-point: ( 0.25 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 154 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -0.321 0.249 0.902) 0.989 0.953 ( -1.378 0.122 -1.202) 1.832 1.189 ( -0.116 3.104 3.150) 4.424 1.229 ( -0.576 2.107 -1.320) 2.552 1.290 ( 4.944 1.589 0.892) 5.269 1.301 ( 3.137 2.348 -0.477) 3.948 1.382 ( 0.885 -2.740 1.343) 3.177 1.403 ( 2.377 -1.628 -2.314) 3.696 1.421 ( 1.545 -3.636 -3.321) 5.161 1.440 ( -0.199 -2.061 -3.924) 4.437 1.556 ( -0.608 -1.110 1.653) 2.082 1.635 ( -3.597 -0.383 -5.132) 6.279 1.757 ( -0.606 -0.126 1.334) 1.471 1.823 ( -2.669 -0.634 1.088) 2.951 1.846 ( 0.194 -0.163 -4.375) 4.383 1.874 ( -0.935 -0.713 -1.993) 2.314 2.045 ( 0.239 0.155 1.713) 1.736 2.052 ( 0.187 -0.208 1.204) 1.236 2.165 ( 0.562 -0.002 2.870) 2.924 2.226 ( -1.844 -0.277 -2.837) 3.395 2.286 ( 1.560 0.804 0.278) 1.776 2.297 ( 2.091 0.625 -1.456) 2.623 2.395 ( -0.678 -0.044 -0.278) 0.734 2.412 ( -0.747 -0.098 -2.607) 2.713 2.474 ( 2.341 -0.457 1.012) 2.591 2.482 ( 2.379 -1.269 0.247) 2.708 2.599 ( -2.679 -0.582 3.144) 4.172 2.636 ( -4.348 -0.524 -0.635) 4.425 2.805 ( 4.927 -0.421 -1.036) 5.053 2.812 ( 4.654 -0.809 -1.514) 4.961 3.234 ( -5.124 -0.441 3.935) 6.475 3.278 ( -7.040 -0.750 0.016) 7.079 3.471 ( 2.942 0.102 4.060) 5.015 3.544 ( -1.593 0.233 0.792) 1.794 3.618 ( 2.166 0.228 -2.432) 3.264 3.681 ( -1.266 0.217 -5.065) 5.225 4.519 ( 0.425 -0.215 2.717) 2.758 4.542 ( -0.694 -0.413 1.758) 1.935 4.569 ( 0.708 -0.051 -0.543) 0.894 4.589 ( -0.332 -0.259 -1.371) 1.435 5.472 ( 3.285 0.082 0.796) 3.381 5.489 ( 3.203 0.111 -0.944) 3.341 5.596 ( -1.709 -0.101 0.418) 1.763 5.605 ( -1.510 -0.091 -0.508) 1.596 5.858 ( -0.043 -0.156 0.132) 0.209 5.860 ( -0.099 -0.108 0.004) 0.147 6.028 ( -0.074 -0.033 1.477) 1.479 6.054 ( -1.175 0.022 -1.207) 1.685 6.313 ( 0.604 -0.225 1.160) 1.327 6.337 ( -0.391 -0.289 -1.341) 1.427 6.938 ( -1.233 0.545 0.872) 1.605 6.943 ( -1.458 0.231 0.295) 1.505 7.077 ( 2.898 0.293 0.465) 2.949 7.081 ( 3.505 0.219 0.173) 3.516 7.196 ( -2.455 0.342 1.848) 3.092 7.219 ( -2.919 0.292 -0.582) 2.990 7.841 ( 2.466 0.047 2.267) 3.350 7.880 ( 2.532 -0.017 -1.556) 2.971 7.957 ( -1.332 -0.005 2.811) 3.111 8.020 ( -2.404 0.047 -3.526) 4.268 ======================= Grid point 192 (72/72) ======================= q-point: (-0.50 0.45 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 116 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( -0.000 0.360 0.299) 0.468 0.936 ( 0.000 -0.216 -0.495) 0.540 1.190 ( 0.000 4.356 1.798) 4.713 1.221 ( 0.000 1.624 -1.565) 2.255 1.328 ( 0.000 1.626 0.913) 1.865 1.354 ( -0.000 -0.041 0.043) 0.060 1.403 ( 0.000 -2.629 -0.795) 2.747 1.415 ( -0.000 -2.404 -0.590) 2.476 1.433 ( 0.000 -0.853 -0.310) 0.908 1.455 ( 0.000 -0.536 -2.861) 2.911 1.552 ( -0.000 -0.807 -1.830) 2.000 1.583 ( 0.000 -2.213 -4.252) 4.793 1.754 ( 0.000 0.792 2.200) 2.338 1.786 ( 0.000 -2.171 0.915) 2.355 1.853 ( 0.000 -0.188 -3.335) 3.340 1.861 ( -0.000 -1.053 -3.128) 3.300 2.046 ( -0.000 0.840 2.090) 2.252 2.057 ( 0.000 -0.105 0.969) 0.975 2.182 ( 0.000 -0.135 0.019) 0.136 2.191 ( -0.000 -0.863 -0.866) 1.222 2.310 ( -0.000 0.851 -1.324) 1.574 2.320 ( 0.000 -0.035 -2.409) 2.410 2.393 ( -0.000 1.237 0.522) 1.342 2.399 ( 0.000 0.662 -0.286) 0.721 2.501 ( -0.000 -0.732 1.358) 1.543 2.510 ( 0.000 -1.617 0.432) 1.673 2.578 ( -0.000 -0.531 0.847) 1.000 2.579 ( 0.000 -0.700 0.726) 1.009 2.864 ( 0.000 -0.539 -1.531) 1.623 2.866 ( 0.000 -0.676 -1.802) 1.925 3.176 ( -0.000 0.090 2.774) 2.775 3.192 ( 0.000 -1.376 1.280) 1.879 3.510 ( 0.000 0.537 3.401) 3.443 3.517 ( -0.000 -0.105 3.072) 3.074 3.650 ( 0.000 0.399 -4.200) 4.219 3.656 ( -0.000 -0.060 -4.362) 4.362 4.527 ( 0.000 -0.096 2.360) 2.362 4.532 ( -0.000 -0.584 2.203) 2.279 4.578 ( -0.000 0.122 -0.935) 0.943 4.583 ( 0.000 -0.330 -1.074) 1.124 5.528 ( -1.402 -0.096 0.076) 1.407 5.528 ( 1.402 -0.096 0.076) 1.407 5.571 ( -1.131 0.088 -0.183) 1.149 5.571 ( 1.131 0.088 -0.183) 1.149 5.858 ( -0.000 -0.090 0.099) 0.133 5.858 ( 0.000 -0.100 0.087) 0.132 6.033 ( -0.000 0.026 0.174) 0.176 6.035 ( 0.000 -0.110 0.035) 0.115 6.323 ( 0.000 0.048 0.255) 0.260 6.329 ( -0.000 -0.582 -0.389) 0.700 6.925 ( 0.000 0.565 0.683) 0.887 6.930 ( 0.000 0.145 0.248) 0.287 7.127 ( 0.000 0.607 0.955) 1.132 7.130 ( -0.000 0.330 0.705) 0.778 7.162 ( 0.000 0.199 0.218) 0.295 7.163 ( -0.000 0.075 0.130) 0.150 7.885 ( -0.000 0.342 2.476) 2.499 7.892 ( 0.000 -0.343 2.124) 2.151 7.965 ( 0.000 0.290 -2.200) 2.219 7.970 ( -0.000 -0.207 -2.357) 2.366 =================== 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 3/18480 10.0 46.291 35.289 65.518 0.000 0.000 -0.000 3/18480 20.0 10.351 7.856 16.983 0.000 0.000 -0.000 3/18480 30.0 5.464 3.904 8.920 0.000 0.000 -0.000 3/18480 40.0 3.758 2.552 6.029 0.000 0.000 -0.000 3/18480 50.0 2.883 1.891 4.558 0.000 0.000 -0.000 3/18480 60.0 2.346 1.502 3.668 0.000 0.000 0.000 3/18480 70.0 1.982 1.247 3.073 0.000 0.000 0.000 3/18480 80.0 1.718 1.068 2.647 0.000 0.000 0.000 3/18480 90.0 1.518 0.934 2.327 0.000 0.000 0.000 3/18480 100.0 1.361 0.831 2.077 0.000 0.000 0.000 3/18480 110.0 1.235 0.749 1.877 0.000 0.000 0.000 3/18480 120.0 1.130 0.682 1.713 0.000 0.000 0.000 3/18480 130.0 1.043 0.627 1.576 0.000 0.000 0.000 3/18480 140.0 0.968 0.579 1.460 0.000 0.000 0.000 3/18480 150.0 0.904 0.539 1.360 0.000 0.000 0.000 3/18480 160.0 0.848 0.504 1.274 0.000 0.000 0.000 3/18480 170.0 0.799 0.473 1.197 0.000 0.000 0.000 3/18480 180.0 0.755 0.446 1.130 0.000 0.000 0.000 3/18480 190.0 0.716 0.422 1.070 0.000 0.000 0.000 3/18480 200.0 0.681 0.401 1.016 0.000 0.000 0.000 3/18480 210.0 0.649 0.381 0.967 0.000 0.000 0.000 3/18480 220.0 0.620 0.363 0.923 0.000 0.000 0.000 3/18480 230.0 0.594 0.347 0.883 0.000 0.000 0.000 3/18480 240.0 0.569 0.333 0.846 0.000 0.000 0.000 3/18480 250.0 0.547 0.319 0.812 0.000 0.000 0.000 3/18480 260.0 0.527 0.307 0.781 0.000 0.000 0.000 3/18480 270.0 0.508 0.295 0.752 0.000 0.000 0.000 3/18480 280.0 0.490 0.285 0.725 0.000 0.000 0.000 3/18480 290.0 0.473 0.275 0.700 0.000 0.000 0.000 3/18480 300.0 0.458 0.266 0.677 0.000 0.000 0.000 3/18480 310.0 0.444 0.257 0.655 0.000 0.000 0.000 3/18480 320.0 0.430 0.249 0.635 0.000 0.000 0.000 3/18480 330.0 0.417 0.241 0.616 0.000 0.000 0.000 3/18480 340.0 0.405 0.234 0.598 0.000 0.000 0.000 3/18480 350.0 0.394 0.228 0.581 0.000 0.000 0.000 3/18480 360.0 0.383 0.221 0.565 0.000 0.000 0.000 3/18480 370.0 0.373 0.215 0.549 0.000 0.000 0.000 3/18480 380.0 0.364 0.210 0.535 0.000 0.000 0.000 3/18480 390.0 0.355 0.204 0.521 0.000 0.000 0.000 3/18480 400.0 0.346 0.199 0.509 0.000 0.000 0.000 3/18480 410.0 0.338 0.194 0.496 0.000 0.000 0.000 3/18480 420.0 0.330 0.190 0.485 0.000 0.000 0.000 3/18480 430.0 0.322 0.185 0.473 0.000 0.000 0.000 3/18480 440.0 0.315 0.181 0.463 0.000 0.000 0.000 3/18480 450.0 0.308 0.177 0.452 0.000 0.000 0.000 3/18480 460.0 0.302 0.173 0.443 0.000 0.000 0.000 3/18480 470.0 0.296 0.169 0.433 0.000 0.000 0.000 3/18480 480.0 0.290 0.166 0.424 0.000 0.000 0.000 3/18480 490.0 0.284 0.163 0.416 0.000 0.000 0.000 3/18480 500.0 0.278 0.159 0.408 0.000 0.000 0.000 3/18480 510.0 0.273 0.156 0.400 0.000 0.000 0.000 3/18480 520.0 0.268 0.153 0.392 0.000 0.000 0.000 3/18480 530.0 0.263 0.150 0.385 0.000 0.000 0.000 3/18480 540.0 0.258 0.147 0.378 0.000 0.000 0.000 3/18480 550.0 0.254 0.145 0.371 0.000 0.000 0.000 3/18480 560.0 0.249 0.142 0.364 0.000 0.000 0.000 3/18480 570.0 0.245 0.140 0.358 0.000 0.000 0.000 3/18480 580.0 0.241 0.137 0.352 0.000 0.000 0.000 3/18480 590.0 0.237 0.135 0.346 0.000 0.000 0.000 3/18480 600.0 0.233 0.133 0.340 0.000 0.000 0.000 3/18480 610.0 0.229 0.131 0.335 0.000 0.000 0.000 3/18480 620.0 0.226 0.128 0.329 0.000 0.000 0.000 3/18480 630.0 0.222 0.126 0.324 0.000 0.000 0.000 3/18480 640.0 0.219 0.124 0.319 0.000 0.000 0.000 3/18480 650.0 0.215 0.123 0.314 0.000 0.000 0.000 3/18480 660.0 0.212 0.121 0.309 0.000 0.000 0.000 3/18480 670.0 0.209 0.119 0.305 0.000 0.000 0.000 3/18480 680.0 0.206 0.117 0.300 0.000 0.000 0.000 3/18480 690.0 0.203 0.115 0.296 0.000 0.000 0.000 3/18480 700.0 0.200 0.114 0.292 0.000 0.000 0.000 3/18480 710.0 0.198 0.112 0.288 0.000 0.000 0.000 3/18480 720.0 0.195 0.111 0.284 0.000 0.000 0.000 3/18480 730.0 0.192 0.109 0.280 0.000 0.000 0.000 3/18480 740.0 0.190 0.108 0.276 0.000 0.000 0.000 3/18480 750.0 0.187 0.106 0.273 0.000 0.000 0.000 3/18480 760.0 0.185 0.105 0.269 0.000 0.000 0.000 3/18480 770.0 0.182 0.104 0.266 0.000 0.000 0.000 3/18480 780.0 0.180 0.102 0.262 0.000 0.000 0.000 3/18480 790.0 0.178 0.101 0.259 0.000 0.000 0.000 3/18480 800.0 0.176 0.100 0.256 0.000 0.000 0.000 3/18480 810.0 0.174 0.098 0.253 0.000 0.000 0.000 3/18480 820.0 0.172 0.097 0.249 0.000 0.000 0.000 3/18480 830.0 0.170 0.096 0.246 0.000 0.000 0.000 3/18480 840.0 0.168 0.095 0.244 0.000 0.000 0.000 3/18480 850.0 0.166 0.094 0.241 0.000 0.000 0.000 3/18480 860.0 0.164 0.093 0.238 0.000 0.000 0.000 3/18480 870.0 0.162 0.092 0.235 0.000 0.000 0.000 3/18480 880.0 0.160 0.091 0.233 0.000 0.000 0.000 3/18480 890.0 0.158 0.090 0.230 0.000 0.000 0.000 3/18480 900.0 0.157 0.089 0.227 0.000 0.000 0.000 3/18480 910.0 0.155 0.088 0.225 0.000 0.000 0.000 3/18480 920.0 0.153 0.087 0.223 0.000 0.000 0.000 3/18480 930.0 0.152 0.086 0.220 0.000 0.000 0.000 3/18480 940.0 0.150 0.085 0.218 0.000 0.000 0.000 3/18480 950.0 0.149 0.084 0.216 0.000 0.000 0.000 3/18480 960.0 0.147 0.083 0.213 0.000 0.000 0.000 3/18480 970.0 0.146 0.082 0.211 0.000 0.000 0.000 3/18480 980.0 0.144 0.081 0.209 0.000 0.000 0.000 3/18480 990.0 0.143 0.081 0.207 0.000 0.000 0.000 3/18480 1000.0 0.141 0.080 0.205 0.000 0.000 0.000 3/18480 Thermal conductivity related properties were written into "kappa-m4117.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:33:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|