----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 22:40:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.450552571127648 0.000000000000000 0.000000000000000 b -2.725276285563824 4.720316991259132 0.000000000000000 c 0.000000000000000 0.000000000000000 8.884546710000000 Atomic positions (fractional): *1 Be 0.83439934539892 0.16560065460108 0.18662903304582 9.012 2 Be 0.16560065460108 0.33120130920217 0.68662903304582 9.012 3 Be 0.66879869079783 0.83439934539892 0.68662903304582 9.012 4 Be 0.16560065460108 0.83439934539892 0.68662903304582 9.012 *5 Be 0.00000000000000 0.00000000000000 0.93931940522371 9.012 6 Be 0.00000000000000 0.00000000000000 0.43931940522371 9.012 7 Be 0.83439934539892 0.66879869079783 0.18662903304582 9.012 8 Be 0.33120130920217 0.16560065460108 0.18662903304582 9.012 *9 O 0.32177521664901 0.16088760832450 0.37116768282421 15.999 *10 O 0.00000000000000 0.00000000000000 0.62483288765289 15.999 11 O 0.00000000000000 0.00000000000000 0.12483288765289 15.999 12 O 0.67822478335099 0.83911239167550 0.87116768282421 15.999 13 O 0.16088760832450 0.32177521664901 0.87116768282421 15.999 14 O 0.83911239167550 0.16088760832450 0.37116768282421 15.999 *15 O 0.49507901482024 0.50492098517976 0.62891777384124 15.999 16 O 0.50492098517976 0.00984197035953 0.12891777384124 15.999 17 O 0.99015802964047 0.49507901482024 0.12891777384124 15.999 18 O 0.00984197035953 0.50492098517976 0.62891777384124 15.999 19 O 0.49507901482024 0.99015802964047 0.62891777384124 15.999 20 O 0.50492098517976 0.49507901482024 0.12891777384124 15.999 21 O 0.16088760832450 0.83911239167550 0.87116768282421 15.999 22 O 0.83911239167550 0.67822478335099 0.37116768282421 15.999 *23 Na 0.66666666666667 0.33333333333333 0.87414798228656 22.990 24 Na 0.33333333333333 0.66666666666667 0.37414798228656 22.990 *25 Sb 0.66666666666667 0.33333333333333 0.49955623570303 121.760 26 Sb 0.33333333333333 0.66666666666667 0.99955623570303 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.450552571127648 0.000000000000000 0.000000000000000 b -2.725276285563824 4.720316991259132 0.000000000000000 c 0.000000000000000 0.000000000000000 8.884546710000000 Atomic positions (fractional): *1 Be 0.83439934539892 0.16560065460108 0.18662903304582 9.012 > 1 2 Be 0.16560065460108 0.33120130920217 0.68662903304582 9.012 > 2 3 Be 0.66879869079783 0.83439934539892 0.68662903304582 9.012 > 3 4 Be 0.16560065460108 0.83439934539892 0.68662903304582 9.012 > 4 *5 Be 0.00000000000000 0.00000000000000 0.93931940522371 9.012 > 5 6 Be 0.00000000000000 0.00000000000000 0.43931940522371 9.012 > 6 7 Be 0.83439934539892 0.66879869079783 0.18662903304582 9.012 > 7 8 Be 0.33120130920217 0.16560065460108 0.18662903304582 9.012 > 8 *9 O 0.32177521664901 0.16088760832450 0.37116768282421 15.999 > 9 *10 O 0.00000000000000 0.00000000000000 0.62483288765289 15.999 > 10 11 O 0.00000000000000 0.00000000000000 0.12483288765289 15.999 > 11 12 O 0.67822478335099 0.83911239167550 0.87116768282421 15.999 > 12 13 O 0.16088760832450 0.32177521664901 0.87116768282421 15.999 > 13 14 O 0.83911239167550 0.16088760832450 0.37116768282421 15.999 > 14 *15 O 0.49507901482024 0.50492098517976 0.62891777384124 15.999 > 15 16 O 0.50492098517976 0.00984197035953 0.12891777384124 15.999 > 16 17 O 0.99015802964047 0.49507901482024 0.12891777384124 15.999 > 17 18 O 0.00984197035953 0.50492098517976 0.62891777384124 15.999 > 18 19 O 0.49507901482024 0.99015802964047 0.62891777384124 15.999 > 19 20 O 0.50492098517976 0.49507901482024 0.12891777384124 15.999 > 20 21 O 0.16088760832450 0.83911239167550 0.87116768282421 15.999 > 21 22 O 0.83911239167550 0.67822478335099 0.37116768282421 15.999 > 22 *23 Na 0.66666666666667 0.33333333333333 0.87414798228656 22.990 > 23 24 Na 0.33333333333333 0.66666666666667 0.37414798228656 22.990 > 24 *25 Sb 0.66666666666667 0.33333333333333 0.49955623570303 121.760 > 25 26 Sb 0.33333333333333 0.66666666666667 0.99955623570303 121.760 > 26 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.901105142255297 0.000000000000000 0.000000000000000 b -5.450552571127648 9.440633982518264 0.000000000000000 c 0.000000000000000 0.000000000000000 8.884546710000000 Atomic positions (fractional): *1 Be 0.41719967269946 0.08280032730054 0.18662903304582 9.012 > 1 2 Be 0.91719967269946 0.08280032730054 0.18662903304582 9.012 > 1 3 Be 0.41719967269946 0.58280032730054 0.18662903304582 9.012 > 1 4 Be 0.91719967269946 0.58280032730054 0.18662903304582 9.012 > 1 5 Be 0.08280032730054 0.16560065460109 0.68662903304582 9.012 > 2 6 Be 0.58280032730054 0.16560065460109 0.68662903304582 9.012 > 2 7 Be 0.08280032730054 0.66560065460108 0.68662903304582 9.012 > 2 8 Be 0.58280032730054 0.66560065460108 0.68662903304582 9.012 > 2 9 Be 0.33439934539892 0.41719967269946 0.68662903304582 9.012 > 3 10 Be 0.83439934539892 0.41719967269946 0.68662903304582 9.012 > 3 11 Be 0.33439934539892 0.91719967269946 0.68662903304582 9.012 > 3 12 Be 0.83439934539892 0.91719967269946 0.68662903304582 9.012 > 3 13 Be 0.08280032730054 0.41719967269946 0.68662903304582 9.012 > 4 14 Be 0.58280032730054 0.41719967269946 0.68662903304582 9.012 > 4 15 Be 0.08280032730054 0.91719967269946 0.68662903304582 9.012 > 4 16 Be 0.58280032730054 0.91719967269946 0.68662903304582 9.012 > 4 *17 Be 0.00000000000000 0.00000000000000 0.93931940522371 9.012 > 5 18 Be 0.50000000000000 0.00000000000000 0.93931940522371 9.012 > 5 19 Be 0.00000000000000 0.50000000000000 0.93931940522371 9.012 > 5 20 Be 0.50000000000000 0.50000000000000 0.93931940522371 9.012 > 5 21 Be 0.00000000000000 0.00000000000000 0.43931940522371 9.012 > 6 22 Be 0.50000000000000 0.00000000000000 0.43931940522371 9.012 > 6 23 Be 0.00000000000000 0.50000000000000 0.43931940522371 9.012 > 6 24 Be 0.50000000000000 0.50000000000000 0.43931940522371 9.012 > 6 25 Be 0.41719967269946 0.33439934539892 0.18662903304582 9.012 > 7 26 Be 0.91719967269946 0.33439934539892 0.18662903304582 9.012 > 7 27 Be 0.41719967269946 0.83439934539892 0.18662903304582 9.012 > 7 28 Be 0.91719967269946 0.83439934539892 0.18662903304582 9.012 > 7 29 Be 0.16560065460109 0.08280032730054 0.18662903304582 9.012 > 8 30 Be 0.66560065460108 0.08280032730054 0.18662903304582 9.012 > 8 31 Be 0.16560065460109 0.58280032730054 0.18662903304582 9.012 > 8 32 Be 0.66560065460108 0.58280032730054 0.18662903304582 9.012 > 8 *33 O 0.16088760832450 0.08044380416225 0.37116768282421 15.999 > 9 34 O 0.66088760832450 0.08044380416225 0.37116768282421 15.999 > 9 35 O 0.16088760832450 0.58044380416225 0.37116768282421 15.999 > 9 36 O 0.66088760832450 0.58044380416225 0.37116768282421 15.999 > 9 *37 O 0.00000000000000 0.00000000000000 0.62483288765289 15.999 > 10 38 O 0.50000000000000 0.00000000000000 0.62483288765289 15.999 > 10 39 O 0.00000000000000 0.50000000000000 0.62483288765289 15.999 > 10 40 O 0.50000000000000 0.50000000000000 0.62483288765289 15.999 > 10 41 O 0.00000000000000 0.00000000000000 0.12483288765289 15.999 > 11 42 O 0.50000000000000 0.00000000000000 0.12483288765289 15.999 > 11 43 O 0.00000000000000 0.50000000000000 0.12483288765289 15.999 > 11 44 O 0.50000000000000 0.50000000000000 0.12483288765289 15.999 > 11 45 O 0.33911239167550 0.41955619583775 0.87116768282421 15.999 > 12 46 O 0.83911239167550 0.41955619583775 0.87116768282421 15.999 > 12 47 O 0.33911239167550 0.91955619583775 0.87116768282421 15.999 > 12 48 O 0.83911239167550 0.91955619583775 0.87116768282421 15.999 > 12 49 O 0.08044380416225 0.16088760832450 0.87116768282421 15.999 > 13 50 O 0.58044380416225 0.16088760832450 0.87116768282421 15.999 > 13 51 O 0.08044380416225 0.66088760832450 0.87116768282421 15.999 > 13 52 O 0.58044380416225 0.66088760832450 0.87116768282421 15.999 > 13 53 O 0.41955619583775 0.08044380416225 0.37116768282421 15.999 > 14 54 O 0.91955619583775 0.08044380416225 0.37116768282421 15.999 > 14 55 O 0.41955619583775 0.58044380416225 0.37116768282421 15.999 > 14 56 O 0.91955619583775 0.58044380416225 0.37116768282421 15.999 > 14 *57 O 0.24753950741012 0.25246049258988 0.62891777384124 15.999 > 15 58 O 0.74753950741012 0.25246049258988 0.62891777384124 15.999 > 15 59 O 0.24753950741012 0.75246049258988 0.62891777384124 15.999 > 15 60 O 0.74753950741012 0.75246049258988 0.62891777384124 15.999 > 15 61 O 0.25246049258988 0.00492098517976 0.12891777384124 15.999 > 16 62 O 0.75246049258988 0.00492098517976 0.12891777384124 15.999 > 16 63 O 0.25246049258988 0.50492098517976 0.12891777384124 15.999 > 16 64 O 0.75246049258988 0.50492098517976 0.12891777384124 15.999 > 16 65 O 0.49507901482024 0.24753950741012 0.12891777384124 15.999 > 17 66 O 0.99507901482024 0.24753950741012 0.12891777384124 15.999 > 17 67 O 0.49507901482024 0.74753950741012 0.12891777384124 15.999 > 17 68 O 0.99507901482024 0.74753950741012 0.12891777384124 15.999 > 17 69 O 0.00492098517976 0.25246049258988 0.62891777384124 15.999 > 18 70 O 0.50492098517976 0.25246049258988 0.62891777384124 15.999 > 18 71 O 0.00492098517976 0.75246049258988 0.62891777384124 15.999 > 18 72 O 0.50492098517976 0.75246049258988 0.62891777384124 15.999 > 18 73 O 0.24753950741012 0.49507901482024 0.62891777384124 15.999 > 19 74 O 0.74753950741012 0.49507901482024 0.62891777384124 15.999 > 19 75 O 0.24753950741012 0.99507901482024 0.62891777384124 15.999 > 19 76 O 0.74753950741012 0.99507901482024 0.62891777384124 15.999 > 19 77 O 0.25246049258988 0.24753950741012 0.12891777384124 15.999 > 20 78 O 0.75246049258988 0.24753950741012 0.12891777384124 15.999 > 20 79 O 0.25246049258988 0.74753950741012 0.12891777384124 15.999 > 20 80 O 0.75246049258988 0.74753950741012 0.12891777384124 15.999 > 20 81 O 0.08044380416225 0.41955619583775 0.87116768282421 15.999 > 21 82 O 0.58044380416225 0.41955619583775 0.87116768282421 15.999 > 21 83 O 0.08044380416225 0.91955619583775 0.87116768282421 15.999 > 21 84 O 0.58044380416225 0.91955619583775 0.87116768282421 15.999 > 21 85 O 0.41955619583775 0.33911239167550 0.37116768282421 15.999 > 22 86 O 0.91955619583775 0.33911239167550 0.37116768282421 15.999 > 22 87 O 0.41955619583775 0.83911239167550 0.37116768282421 15.999 > 22 88 O 0.91955619583775 0.83911239167550 0.37116768282421 15.999 > 22 *89 Na 0.33333333333333 0.16666666666667 0.87414798228656 22.990 > 23 90 Na 0.83333333333333 0.16666666666667 0.87414798228656 22.990 > 23 91 Na 0.33333333333333 0.66666666666667 0.87414798228656 22.990 > 23 92 Na 0.83333333333333 0.66666666666667 0.87414798228656 22.990 > 23 93 Na 0.16666666666667 0.33333333333333 0.37414798228656 22.990 > 24 94 Na 0.66666666666667 0.33333333333333 0.37414798228656 22.990 > 24 95 Na 0.16666666666667 0.83333333333333 0.37414798228656 22.990 > 24 96 Na 0.66666666666667 0.83333333333333 0.37414798228656 22.990 > 24 *97 Sb 0.33333333333333 0.16666666666667 0.49955623570303 121.760 > 25 98 Sb 0.83333333333333 0.16666666666667 0.49955623570303 121.760 > 25 99 Sb 0.33333333333333 0.66666666666667 0.49955623570303 121.760 > 25 100 Sb 0.83333333333333 0.66666666666667 0.49955623570303 121.760 > 25 101 Sb 0.16666666666667 0.33333333333333 0.99955623570303 121.760 > 26 102 Sb 0.66666666666667 0.33333333333333 0.99955623570303 121.760 > 26 103 Sb 0.16666666666667 0.83333333333333 0.99955623570303 121.760 > 26 104 Sb 0.66666666666667 0.83333333333333 0.99955623570303 121.760 > 26 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3312071 0.0000000 0.0000000 0.0000000 3.3312071 0.0000000 0.0000000 0.0000000 3.3220410 -------------------------- Born effective charges -------------------------- 1 Be 1.7676290 0.1340555 -0.1545108 0.1340555 1.9224230 0.0892069 0.2349499 -0.1356484 1.9542790 2 Be 1.9998200 0.0000000 -0.0000000 0.0000000 1.6902320 0.1784138 0.0000000 -0.2712968 1.9542790 3 Be 1.7676290 -0.1340555 -0.1545108 -0.1340555 1.9224230 -0.0892069 0.2349499 0.1356484 1.9542790 4 Be 1.7676290 0.1340555 0.1545108 0.1340555 1.9224230 -0.0892069 -0.2349499 0.1356484 1.9542790 5 Be 1.9629386 0.0000000 -0.0000000 0.0000000 1.9629386 0.0000000 0.0000000 0.0000000 1.7157312 6 Be 1.9629386 0.0000000 -0.0000000 0.0000000 1.9629386 0.0000000 0.0000000 0.0000000 1.7157312 7 Be 1.9998200 0.0000000 -0.0000000 0.0000000 1.6902320 -0.1784138 0.0000000 0.2712968 1.9542790 8 Be 1.7676290 -0.1340555 0.1545108 -0.1340555 1.9224230 0.0892069 -0.2349499 -0.1356484 1.9542790 9 O -2.0378179 -0.4233494 -0.1533826 -0.4233494 -1.5489761 -0.0885555 -0.0782369 -0.0451701 -2.1552053 10 O -1.8069360 -0.0000000 -0.0000000 0.0000000 -1.8069360 0.0000000 0.0000000 0.0000000 -1.8866148 11 O -1.8069360 -0.0000000 -0.0000000 0.0000000 -1.8069360 0.0000000 0.0000000 0.0000000 -1.8866148 12 O -2.0378179 -0.4233494 0.1533826 -0.4233494 -1.5489761 0.0885555 0.0782369 0.0451701 -2.1552053 13 O -1.3045552 -0.0000000 -0.0000000 0.0000000 -2.2822388 -0.1771110 0.0000000 -0.0903402 -2.1552053 14 O -2.0378179 0.4233494 0.1533826 0.4233494 -1.5489761 -0.0885555 0.0782369 -0.0451701 -2.1552053 15 O -2.0316447 0.0316990 0.4948207 0.0316990 -1.9950419 -0.2856849 0.4415490 -0.2549285 -1.6121409 16 O -1.9767405 -0.0000000 -0.0000000 0.0000000 -2.0499461 -0.5713697 0.0000000 -0.5098569 -1.6121409 17 O -2.0316447 -0.0316990 0.4948207 -0.0316990 -1.9950419 0.2856849 0.4415490 0.2549285 -1.6121409 18 O -2.0316447 -0.0316990 -0.4948207 -0.0316990 -1.9950419 -0.2856849 -0.4415490 -0.2549285 -1.6121409 19 O -1.9767405 -0.0000000 -0.0000000 0.0000000 -2.0499461 0.5713697 0.0000000 0.5098569 -1.6121409 20 O -2.0316447 0.0316990 -0.4948207 0.0316990 -1.9950419 0.2856849 -0.4415490 0.2549285 -1.6121409 21 O -2.0378179 0.4233494 -0.1533826 0.4233494 -1.5489761 0.0885555 -0.0782369 0.0451701 -2.1552053 22 O -1.3045552 -0.0000000 -0.0000000 0.0000000 -2.2822388 0.1771110 0.0000000 0.0903402 -2.1552053 23 Na 1.1524345 0.0000000 -0.0000000 0.0000000 1.1524345 0.0000000 0.0000000 0.0000000 1.1529229 24 Na 1.1524345 0.0000000 -0.0000000 0.0000000 1.1524345 0.0000000 0.0000000 0.0000000 1.1529229 25 Sb 4.5767058 0.0000000 -0.0000000 -0.0000000 4.5767058 0.0000000 0.0000000 0.0000000 4.4571622 26 Sb 4.5767058 0.0000000 -0.0000000 -0.0000000 4.5767058 0.0000000 0.0000000 0.0000000 4.4571622 ---------------------------------------------------------------------------- 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: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1128 Number of blocks in projector: 682 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 498 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1128, 1105), data: False |-- (190, 183), data: True |-- (440, 434), data: True |-- (498, 488), data: True ----- Solver_atoms: 1 -- 104 / 104 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 320 - Time: 1.134 Solver_block: 200 / 320 - Time: 1.131 Solver_block: 300 / 320 - Time: 1.135 Solver_block: 320 / 320 - Time: 0.280 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.708 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 312/312 Permutation basis: 12480/12480 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1128 Number of blocks in projector: 682 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 498 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1128, 1105), data: False |-- (190, 183), data: True |-- (440, 434), data: True |-- (498, 488), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 22:41:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:41:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.450552571127648 0.000000000000000 0.000000000000000 b -2.725276285563824 4.720316991259132 0.000000000000000 c 0.000000000000000 0.000000000000000 8.884546710000000 Atomic positions (fractional): 1 Be 0.83439934539892 0.16560065460108 0.18662903304582 9.012 2 Be 0.16560065460108 0.33120130920217 0.68662903304582 9.012 3 Be 0.66879869079783 0.83439934539892 0.68662903304582 9.012 4 Be 0.16560065460108 0.83439934539892 0.68662903304582 9.012 5 Be 0.00000000000000 0.00000000000000 0.93931940522371 9.012 6 Be 0.00000000000000 0.00000000000000 0.43931940522371 9.012 7 Be 0.83439934539892 0.66879869079783 0.18662903304582 9.012 8 Be 0.33120130920217 0.16560065460108 0.18662903304582 9.012 9 O 0.32177521664901 0.16088760832450 0.37116768282421 15.999 10 O 0.00000000000000 0.00000000000000 0.62483288765289 15.999 11 O 0.00000000000000 0.00000000000000 0.12483288765289 15.999 12 O 0.67822478335099 0.83911239167550 0.87116768282421 15.999 13 O 0.16088760832450 0.32177521664901 0.87116768282421 15.999 14 O 0.83911239167550 0.16088760832450 0.37116768282421 15.999 15 O 0.49507901482024 0.50492098517976 0.62891777384124 15.999 16 O 0.50492098517976 0.00984197035953 0.12891777384124 15.999 17 O 0.99015802964047 0.49507901482024 0.12891777384124 15.999 18 O 0.00984197035953 0.50492098517976 0.62891777384124 15.999 19 O 0.49507901482024 0.99015802964047 0.62891777384124 15.999 20 O 0.50492098517976 0.49507901482024 0.12891777384124 15.999 21 O 0.16088760832450 0.83911239167550 0.87116768282421 15.999 22 O 0.83911239167550 0.67822478335099 0.37116768282421 15.999 23 Na 0.66666666666667 0.33333333333333 0.87414798228656 22.990 24 Na 0.33333333333333 0.66666666666667 0.37414798228656 22.990 25 Sb 0.66666666666667 0.33333333333333 0.49955623570303 121.760 26 Sb 0.33333333333333 0.66666666666667 0.99955623570303 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.901105142255297 0.000000000000000 0.000000000000000 b -5.450552571127648 9.440633982518264 0.000000000000000 c 0.000000000000000 0.000000000000000 8.884546710000000 Atomic positions (fractional): 1 Be 0.41719967269946 0.08280032730054 0.18662903304582 9.012 > 1 2 Be 0.91719967269946 0.08280032730054 0.18662903304582 9.012 > 1 3 Be 0.41719967269946 0.58280032730054 0.18662903304582 9.012 > 1 4 Be 0.91719967269946 0.58280032730054 0.18662903304582 9.012 > 1 5 Be 0.08280032730054 0.16560065460109 0.68662903304582 9.012 > 5 6 Be 0.58280032730054 0.16560065460109 0.68662903304582 9.012 > 5 7 Be 0.08280032730054 0.66560065460108 0.68662903304582 9.012 > 5 8 Be 0.58280032730054 0.66560065460108 0.68662903304582 9.012 > 5 9 Be 0.33439934539892 0.41719967269946 0.68662903304582 9.012 > 9 10 Be 0.83439934539892 0.41719967269946 0.68662903304582 9.012 > 9 11 Be 0.33439934539892 0.91719967269946 0.68662903304582 9.012 > 9 12 Be 0.83439934539892 0.91719967269946 0.68662903304582 9.012 > 9 13 Be 0.08280032730054 0.41719967269946 0.68662903304582 9.012 > 13 14 Be 0.58280032730054 0.41719967269946 0.68662903304582 9.012 > 13 15 Be 0.08280032730054 0.91719967269946 0.68662903304582 9.012 > 13 16 Be 0.58280032730054 0.91719967269946 0.68662903304582 9.012 > 13 17 Be 0.00000000000000 0.00000000000000 0.93931940522371 9.012 > 17 18 Be 0.50000000000000 0.00000000000000 0.93931940522371 9.012 > 17 19 Be 0.00000000000000 0.50000000000000 0.93931940522371 9.012 > 17 20 Be 0.50000000000000 0.50000000000000 0.93931940522371 9.012 > 17 21 Be 0.00000000000000 0.00000000000000 0.43931940522371 9.012 > 21 22 Be 0.50000000000000 0.00000000000000 0.43931940522371 9.012 > 21 23 Be 0.00000000000000 0.50000000000000 0.43931940522371 9.012 > 21 24 Be 0.50000000000000 0.50000000000000 0.43931940522371 9.012 > 21 25 Be 0.41719967269946 0.33439934539892 0.18662903304582 9.012 > 25 26 Be 0.91719967269946 0.33439934539892 0.18662903304582 9.012 > 25 27 Be 0.41719967269946 0.83439934539892 0.18662903304582 9.012 > 25 28 Be 0.91719967269946 0.83439934539892 0.18662903304582 9.012 > 25 29 Be 0.16560065460109 0.08280032730054 0.18662903304582 9.012 > 29 30 Be 0.66560065460108 0.08280032730054 0.18662903304582 9.012 > 29 31 Be 0.16560065460109 0.58280032730054 0.18662903304582 9.012 > 29 32 Be 0.66560065460108 0.58280032730054 0.18662903304582 9.012 > 29 33 O 0.16088760832450 0.08044380416225 0.37116768282421 15.999 > 33 34 O 0.66088760832450 0.08044380416225 0.37116768282421 15.999 > 33 35 O 0.16088760832450 0.58044380416225 0.37116768282421 15.999 > 33 36 O 0.66088760832450 0.58044380416225 0.37116768282421 15.999 > 33 37 O 0.00000000000000 0.00000000000000 0.62483288765289 15.999 > 37 38 O 0.50000000000000 0.00000000000000 0.62483288765289 15.999 > 37 39 O 0.00000000000000 0.50000000000000 0.62483288765289 15.999 > 37 40 O 0.50000000000000 0.50000000000000 0.62483288765289 15.999 > 37 41 O 0.00000000000000 0.00000000000000 0.12483288765289 15.999 > 41 42 O 0.50000000000000 0.00000000000000 0.12483288765289 15.999 > 41 43 O 0.00000000000000 0.50000000000000 0.12483288765289 15.999 > 41 44 O 0.50000000000000 0.50000000000000 0.12483288765289 15.999 > 41 45 O 0.33911239167550 0.41955619583775 0.87116768282421 15.999 > 45 46 O 0.83911239167550 0.41955619583775 0.87116768282421 15.999 > 45 47 O 0.33911239167550 0.91955619583775 0.87116768282421 15.999 > 45 48 O 0.83911239167550 0.91955619583775 0.87116768282421 15.999 > 45 49 O 0.08044380416225 0.16088760832450 0.87116768282421 15.999 > 49 50 O 0.58044380416225 0.16088760832450 0.87116768282421 15.999 > 49 51 O 0.08044380416225 0.66088760832450 0.87116768282421 15.999 > 49 52 O 0.58044380416225 0.66088760832450 0.87116768282421 15.999 > 49 53 O 0.41955619583775 0.08044380416225 0.37116768282421 15.999 > 53 54 O 0.91955619583775 0.08044380416225 0.37116768282421 15.999 > 53 55 O 0.41955619583775 0.58044380416225 0.37116768282421 15.999 > 53 56 O 0.91955619583775 0.58044380416225 0.37116768282421 15.999 > 53 57 O 0.24753950741012 0.25246049258988 0.62891777384124 15.999 > 57 58 O 0.74753950741012 0.25246049258988 0.62891777384124 15.999 > 57 59 O 0.24753950741012 0.75246049258988 0.62891777384124 15.999 > 57 60 O 0.74753950741012 0.75246049258988 0.62891777384124 15.999 > 57 61 O 0.25246049258988 0.00492098517976 0.12891777384124 15.999 > 61 62 O 0.75246049258988 0.00492098517976 0.12891777384124 15.999 > 61 63 O 0.25246049258988 0.50492098517976 0.12891777384124 15.999 > 61 64 O 0.75246049258988 0.50492098517976 0.12891777384124 15.999 > 61 65 O 0.49507901482024 0.24753950741012 0.12891777384124 15.999 > 65 66 O 0.99507901482024 0.24753950741012 0.12891777384124 15.999 > 65 67 O 0.49507901482024 0.74753950741012 0.12891777384124 15.999 > 65 68 O 0.99507901482024 0.74753950741012 0.12891777384124 15.999 > 65 69 O 0.00492098517976 0.25246049258988 0.62891777384124 15.999 > 69 70 O 0.50492098517976 0.25246049258988 0.62891777384124 15.999 > 69 71 O 0.00492098517976 0.75246049258988 0.62891777384124 15.999 > 69 72 O 0.50492098517976 0.75246049258988 0.62891777384124 15.999 > 69 73 O 0.24753950741012 0.49507901482024 0.62891777384124 15.999 > 73 74 O 0.74753950741012 0.49507901482024 0.62891777384124 15.999 > 73 75 O 0.24753950741012 0.99507901482024 0.62891777384124 15.999 > 73 76 O 0.74753950741012 0.99507901482024 0.62891777384124 15.999 > 73 77 O 0.25246049258988 0.24753950741012 0.12891777384124 15.999 > 77 78 O 0.75246049258988 0.24753950741012 0.12891777384124 15.999 > 77 79 O 0.25246049258988 0.74753950741012 0.12891777384124 15.999 > 77 80 O 0.75246049258988 0.74753950741012 0.12891777384124 15.999 > 77 81 O 0.08044380416225 0.41955619583775 0.87116768282421 15.999 > 81 82 O 0.58044380416225 0.41955619583775 0.87116768282421 15.999 > 81 83 O 0.08044380416225 0.91955619583775 0.87116768282421 15.999 > 81 84 O 0.58044380416225 0.91955619583775 0.87116768282421 15.999 > 81 85 O 0.41955619583775 0.33911239167550 0.37116768282421 15.999 > 85 86 O 0.91955619583775 0.33911239167550 0.37116768282421 15.999 > 85 87 O 0.41955619583775 0.83911239167550 0.37116768282421 15.999 > 85 88 O 0.91955619583775 0.83911239167550 0.37116768282421 15.999 > 85 89 Na 0.33333333333333 0.16666666666667 0.87414798228656 22.990 > 89 90 Na 0.83333333333333 0.16666666666667 0.87414798228656 22.990 > 89 91 Na 0.33333333333333 0.66666666666667 0.87414798228656 22.990 > 89 92 Na 0.83333333333333 0.66666666666667 0.87414798228656 22.990 > 89 93 Na 0.16666666666667 0.33333333333333 0.37414798228656 22.990 > 93 94 Na 0.66666666666667 0.33333333333333 0.37414798228656 22.990 > 93 95 Na 0.16666666666667 0.83333333333333 0.37414798228656 22.990 > 93 96 Na 0.66666666666667 0.83333333333333 0.37414798228656 22.990 > 93 97 Sb 0.33333333333333 0.16666666666667 0.49955623570303 121.760 > 97 98 Sb 0.83333333333333 0.16666666666667 0.49955623570303 121.760 > 97 99 Sb 0.33333333333333 0.66666666666667 0.49955623570303 121.760 > 97 100 Sb 0.83333333333333 0.66666666666667 0.49955623570303 121.760 > 97 101 Sb 0.16666666666667 0.33333333333333 0.99955623570303 121.760 > 101 102 Sb 0.66666666666667 0.33333333333333 0.99955623570303 121.760 > 101 103 Sb 0.16666666666667 0.83333333333333 0.99955623570303 121.760 > 101 104 Sb 0.66666666666667 0.83333333333333 0.99955623570303 121.760 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3312071 0.0000000 0.0000000 0.0000000 3.3312071 0.0000000 0.0000000 0.0000000 3.3220410 -------------------------- Born effective charges -------------------------- 1 Be 1.7676290 0.1340555 -0.1545108 0.1340555 1.9224230 0.0892069 0.2349499 -0.1356484 1.9542790 2 Be 1.9998200 0.0000000 -0.0000000 0.0000000 1.6902320 0.1784138 0.0000000 -0.2712968 1.9542790 3 Be 1.7676290 -0.1340555 -0.1545108 -0.1340555 1.9224230 -0.0892069 0.2349499 0.1356484 1.9542790 4 Be 1.7676290 0.1340555 0.1545108 0.1340555 1.9224230 -0.0892069 -0.2349499 0.1356484 1.9542790 5 Be 1.9629386 0.0000000 -0.0000000 0.0000000 1.9629386 0.0000000 0.0000000 0.0000000 1.7157312 6 Be 1.9629386 0.0000000 -0.0000000 0.0000000 1.9629386 0.0000000 0.0000000 0.0000000 1.7157312 7 Be 1.9998200 0.0000000 -0.0000000 0.0000000 1.6902320 -0.1784138 0.0000000 0.2712968 1.9542790 8 Be 1.7676290 -0.1340555 0.1545108 -0.1340555 1.9224230 0.0892069 -0.2349499 -0.1356484 1.9542790 9 O -2.0378179 -0.4233494 -0.1533826 -0.4233494 -1.5489761 -0.0885555 -0.0782369 -0.0451701 -2.1552053 10 O -1.8069360 -0.0000000 -0.0000000 0.0000000 -1.8069360 0.0000000 0.0000000 0.0000000 -1.8866148 11 O -1.8069360 -0.0000000 -0.0000000 0.0000000 -1.8069360 0.0000000 0.0000000 0.0000000 -1.8866148 12 O -2.0378179 -0.4233494 0.1533826 -0.4233494 -1.5489761 0.0885555 0.0782369 0.0451701 -2.1552053 13 O -1.3045552 -0.0000000 -0.0000000 0.0000000 -2.2822388 -0.1771110 0.0000000 -0.0903402 -2.1552053 14 O -2.0378179 0.4233494 0.1533826 0.4233494 -1.5489761 -0.0885555 0.0782369 -0.0451701 -2.1552053 15 O -2.0316447 0.0316990 0.4948207 0.0316990 -1.9950419 -0.2856849 0.4415490 -0.2549285 -1.6121409 16 O -1.9767405 -0.0000000 -0.0000000 0.0000000 -2.0499461 -0.5713697 0.0000000 -0.5098569 -1.6121409 17 O -2.0316447 -0.0316990 0.4948207 -0.0316990 -1.9950419 0.2856849 0.4415490 0.2549285 -1.6121409 18 O -2.0316447 -0.0316990 -0.4948207 -0.0316990 -1.9950419 -0.2856849 -0.4415490 -0.2549285 -1.6121409 19 O -1.9767405 -0.0000000 -0.0000000 0.0000000 -2.0499461 0.5713697 0.0000000 0.5098569 -1.6121409 20 O -2.0316447 0.0316990 -0.4948207 0.0316990 -1.9950419 0.2856849 -0.4415490 0.2549285 -1.6121409 21 O -2.0378179 0.4233494 -0.1533826 0.4233494 -1.5489761 0.0885555 -0.0782369 0.0451701 -2.1552053 22 O -1.3045552 -0.0000000 -0.0000000 0.0000000 -2.2822388 0.1771110 0.0000000 0.0903402 -2.1552053 23 Na 1.1524345 0.0000000 -0.0000000 0.0000000 1.1524345 0.0000000 0.0000000 0.0000000 1.1529229 24 Na 1.1524345 0.0000000 -0.0000000 0.0000000 1.1524345 0.0000000 0.0000000 0.0000000 1.1529229 25 Sb 4.5767058 0.0000000 -0.0000000 -0.0000000 4.5767058 0.0000000 0.0000000 0.0000000 4.4571622 26 Sb 4.5767058 0.0000000 -0.0000000 -0.0000000 4.5767058 0.0000000 0.0000000 0.0000000 4.4571622 ---------------------------------------------------------------------------- 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 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 0.0000 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: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:41:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 22:41:22]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3mc (186) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.450552571127648 0.000000000000000 0.000000000000000 b -2.725276285563824 4.720316991259132 0.000000000000000 c 0.000000000000000 0.000000000000000 8.884546710000000 Atomic positions (fractional): 1 Be 0.83439934539892 0.16560065460108 0.18662903304582 9.012 2 Be 0.16560065460108 0.33120130920217 0.68662903304582 9.012 3 Be 0.66879869079783 0.83439934539892 0.68662903304582 9.012 4 Be 0.16560065460108 0.83439934539892 0.68662903304582 9.012 5 Be 0.00000000000000 0.00000000000000 0.93931940522371 9.012 6 Be 0.00000000000000 0.00000000000000 0.43931940522371 9.012 7 Be 0.83439934539892 0.66879869079783 0.18662903304582 9.012 8 Be 0.33120130920217 0.16560065460108 0.18662903304582 9.012 9 O 0.32177521664901 0.16088760832450 0.37116768282421 15.999 10 O 0.00000000000000 0.00000000000000 0.62483288765289 15.999 11 O 0.00000000000000 0.00000000000000 0.12483288765289 15.999 12 O 0.67822478335099 0.83911239167550 0.87116768282421 15.999 13 O 0.16088760832450 0.32177521664901 0.87116768282421 15.999 14 O 0.83911239167550 0.16088760832450 0.37116768282421 15.999 15 O 0.49507901482024 0.50492098517976 0.62891777384124 15.999 16 O 0.50492098517976 0.00984197035953 0.12891777384124 15.999 17 O 0.99015802964047 0.49507901482024 0.12891777384124 15.999 18 O 0.00984197035953 0.50492098517976 0.62891777384124 15.999 19 O 0.49507901482024 0.99015802964047 0.62891777384124 15.999 20 O 0.50492098517976 0.49507901482024 0.12891777384124 15.999 21 O 0.16088760832450 0.83911239167550 0.87116768282421 15.999 22 O 0.83911239167550 0.67822478335099 0.37116768282421 15.999 23 Na 0.66666666666667 0.33333333333333 0.87414798228656 22.990 24 Na 0.33333333333333 0.66666666666667 0.37414798228656 22.990 25 Sb 0.66666666666667 0.33333333333333 0.49955623570303 121.760 26 Sb 0.33333333333333 0.66666666666667 0.99955623570303 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.901105142255297 0.000000000000000 0.000000000000000 b -5.450552571127648 9.440633982518264 0.000000000000000 c 0.000000000000000 0.000000000000000 8.884546710000000 Atomic positions (fractional): 1 Be 0.41719967269946 0.08280032730054 0.18662903304582 9.012 > 1 2 Be 0.91719967269946 0.08280032730054 0.18662903304582 9.012 > 1 3 Be 0.41719967269946 0.58280032730054 0.18662903304582 9.012 > 1 4 Be 0.91719967269946 0.58280032730054 0.18662903304582 9.012 > 1 5 Be 0.08280032730054 0.16560065460109 0.68662903304582 9.012 > 5 6 Be 0.58280032730054 0.16560065460109 0.68662903304582 9.012 > 5 7 Be 0.08280032730054 0.66560065460108 0.68662903304582 9.012 > 5 8 Be 0.58280032730054 0.66560065460108 0.68662903304582 9.012 > 5 9 Be 0.33439934539892 0.41719967269946 0.68662903304582 9.012 > 9 10 Be 0.83439934539892 0.41719967269946 0.68662903304582 9.012 > 9 11 Be 0.33439934539892 0.91719967269946 0.68662903304582 9.012 > 9 12 Be 0.83439934539892 0.91719967269946 0.68662903304582 9.012 > 9 13 Be 0.08280032730054 0.41719967269946 0.68662903304582 9.012 > 13 14 Be 0.58280032730054 0.41719967269946 0.68662903304582 9.012 > 13 15 Be 0.08280032730054 0.91719967269946 0.68662903304582 9.012 > 13 16 Be 0.58280032730054 0.91719967269946 0.68662903304582 9.012 > 13 17 Be 0.00000000000000 0.00000000000000 0.93931940522371 9.012 > 17 18 Be 0.50000000000000 0.00000000000000 0.93931940522371 9.012 > 17 19 Be 0.00000000000000 0.50000000000000 0.93931940522371 9.012 > 17 20 Be 0.50000000000000 0.50000000000000 0.93931940522371 9.012 > 17 21 Be 0.00000000000000 0.00000000000000 0.43931940522371 9.012 > 21 22 Be 0.50000000000000 0.00000000000000 0.43931940522371 9.012 > 21 23 Be 0.00000000000000 0.50000000000000 0.43931940522371 9.012 > 21 24 Be 0.50000000000000 0.50000000000000 0.43931940522371 9.012 > 21 25 Be 0.41719967269946 0.33439934539892 0.18662903304582 9.012 > 25 26 Be 0.91719967269946 0.33439934539892 0.18662903304582 9.012 > 25 27 Be 0.41719967269946 0.83439934539892 0.18662903304582 9.012 > 25 28 Be 0.91719967269946 0.83439934539892 0.18662903304582 9.012 > 25 29 Be 0.16560065460109 0.08280032730054 0.18662903304582 9.012 > 29 30 Be 0.66560065460108 0.08280032730054 0.18662903304582 9.012 > 29 31 Be 0.16560065460109 0.58280032730054 0.18662903304582 9.012 > 29 32 Be 0.66560065460108 0.58280032730054 0.18662903304582 9.012 > 29 33 O 0.16088760832450 0.08044380416225 0.37116768282421 15.999 > 33 34 O 0.66088760832450 0.08044380416225 0.37116768282421 15.999 > 33 35 O 0.16088760832450 0.58044380416225 0.37116768282421 15.999 > 33 36 O 0.66088760832450 0.58044380416225 0.37116768282421 15.999 > 33 37 O 0.00000000000000 0.00000000000000 0.62483288765289 15.999 > 37 38 O 0.50000000000000 0.00000000000000 0.62483288765289 15.999 > 37 39 O 0.00000000000000 0.50000000000000 0.62483288765289 15.999 > 37 40 O 0.50000000000000 0.50000000000000 0.62483288765289 15.999 > 37 41 O 0.00000000000000 0.00000000000000 0.12483288765289 15.999 > 41 42 O 0.50000000000000 0.00000000000000 0.12483288765289 15.999 > 41 43 O 0.00000000000000 0.50000000000000 0.12483288765289 15.999 > 41 44 O 0.50000000000000 0.50000000000000 0.12483288765289 15.999 > 41 45 O 0.33911239167550 0.41955619583775 0.87116768282421 15.999 > 45 46 O 0.83911239167550 0.41955619583775 0.87116768282421 15.999 > 45 47 O 0.33911239167550 0.91955619583775 0.87116768282421 15.999 > 45 48 O 0.83911239167550 0.91955619583775 0.87116768282421 15.999 > 45 49 O 0.08044380416225 0.16088760832450 0.87116768282421 15.999 > 49 50 O 0.58044380416225 0.16088760832450 0.87116768282421 15.999 > 49 51 O 0.08044380416225 0.66088760832450 0.87116768282421 15.999 > 49 52 O 0.58044380416225 0.66088760832450 0.87116768282421 15.999 > 49 53 O 0.41955619583775 0.08044380416225 0.37116768282421 15.999 > 53 54 O 0.91955619583775 0.08044380416225 0.37116768282421 15.999 > 53 55 O 0.41955619583775 0.58044380416225 0.37116768282421 15.999 > 53 56 O 0.91955619583775 0.58044380416225 0.37116768282421 15.999 > 53 57 O 0.24753950741012 0.25246049258988 0.62891777384124 15.999 > 57 58 O 0.74753950741012 0.25246049258988 0.62891777384124 15.999 > 57 59 O 0.24753950741012 0.75246049258988 0.62891777384124 15.999 > 57 60 O 0.74753950741012 0.75246049258988 0.62891777384124 15.999 > 57 61 O 0.25246049258988 0.00492098517976 0.12891777384124 15.999 > 61 62 O 0.75246049258988 0.00492098517976 0.12891777384124 15.999 > 61 63 O 0.25246049258988 0.50492098517976 0.12891777384124 15.999 > 61 64 O 0.75246049258988 0.50492098517976 0.12891777384124 15.999 > 61 65 O 0.49507901482024 0.24753950741012 0.12891777384124 15.999 > 65 66 O 0.99507901482024 0.24753950741012 0.12891777384124 15.999 > 65 67 O 0.49507901482024 0.74753950741012 0.12891777384124 15.999 > 65 68 O 0.99507901482024 0.74753950741012 0.12891777384124 15.999 > 65 69 O 0.00492098517976 0.25246049258988 0.62891777384124 15.999 > 69 70 O 0.50492098517976 0.25246049258988 0.62891777384124 15.999 > 69 71 O 0.00492098517976 0.75246049258988 0.62891777384124 15.999 > 69 72 O 0.50492098517976 0.75246049258988 0.62891777384124 15.999 > 69 73 O 0.24753950741012 0.49507901482024 0.62891777384124 15.999 > 73 74 O 0.74753950741012 0.49507901482024 0.62891777384124 15.999 > 73 75 O 0.24753950741012 0.99507901482024 0.62891777384124 15.999 > 73 76 O 0.74753950741012 0.99507901482024 0.62891777384124 15.999 > 73 77 O 0.25246049258988 0.24753950741012 0.12891777384124 15.999 > 77 78 O 0.75246049258988 0.24753950741012 0.12891777384124 15.999 > 77 79 O 0.25246049258988 0.74753950741012 0.12891777384124 15.999 > 77 80 O 0.75246049258988 0.74753950741012 0.12891777384124 15.999 > 77 81 O 0.08044380416225 0.41955619583775 0.87116768282421 15.999 > 81 82 O 0.58044380416225 0.41955619583775 0.87116768282421 15.999 > 81 83 O 0.08044380416225 0.91955619583775 0.87116768282421 15.999 > 81 84 O 0.58044380416225 0.91955619583775 0.87116768282421 15.999 > 81 85 O 0.41955619583775 0.33911239167550 0.37116768282421 15.999 > 85 86 O 0.91955619583775 0.33911239167550 0.37116768282421 15.999 > 85 87 O 0.41955619583775 0.83911239167550 0.37116768282421 15.999 > 85 88 O 0.91955619583775 0.83911239167550 0.37116768282421 15.999 > 85 89 Na 0.33333333333333 0.16666666666667 0.87414798228656 22.990 > 89 90 Na 0.83333333333333 0.16666666666667 0.87414798228656 22.990 > 89 91 Na 0.33333333333333 0.66666666666667 0.87414798228656 22.990 > 89 92 Na 0.83333333333333 0.66666666666667 0.87414798228656 22.990 > 89 93 Na 0.16666666666667 0.33333333333333 0.37414798228656 22.990 > 93 94 Na 0.66666666666667 0.33333333333333 0.37414798228656 22.990 > 93 95 Na 0.16666666666667 0.83333333333333 0.37414798228656 22.990 > 93 96 Na 0.66666666666667 0.83333333333333 0.37414798228656 22.990 > 93 97 Sb 0.33333333333333 0.16666666666667 0.49955623570303 121.760 > 97 98 Sb 0.83333333333333 0.16666666666667 0.49955623570303 121.760 > 97 99 Sb 0.33333333333333 0.66666666666667 0.49955623570303 121.760 > 97 100 Sb 0.83333333333333 0.66666666666667 0.49955623570303 121.760 > 97 101 Sb 0.16666666666667 0.33333333333333 0.99955623570303 121.760 > 101 102 Sb 0.66666666666667 0.33333333333333 0.99955623570303 121.760 > 101 103 Sb 0.16666666666667 0.83333333333333 0.99955623570303 121.760 > 101 104 Sb 0.66666666666667 0.83333333333333 0.99955623570303 121.760 > 101 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3312071 0.0000000 0.0000000 0.0000000 3.3312071 0.0000000 0.0000000 0.0000000 3.3220410 -------------------------- Born effective charges -------------------------- 1 Be 1.7676290 0.1340555 -0.1545108 0.1340555 1.9224230 0.0892069 0.2349499 -0.1356484 1.9542790 2 Be 1.9998200 0.0000000 -0.0000000 0.0000000 1.6902320 0.1784138 0.0000000 -0.2712968 1.9542790 3 Be 1.7676290 -0.1340555 -0.1545108 -0.1340555 1.9224230 -0.0892069 0.2349499 0.1356484 1.9542790 4 Be 1.7676290 0.1340555 0.1545108 0.1340555 1.9224230 -0.0892069 -0.2349499 0.1356484 1.9542790 5 Be 1.9629386 0.0000000 -0.0000000 0.0000000 1.9629386 0.0000000 0.0000000 0.0000000 1.7157312 6 Be 1.9629386 0.0000000 -0.0000000 0.0000000 1.9629386 0.0000000 0.0000000 0.0000000 1.7157312 7 Be 1.9998200 0.0000000 -0.0000000 0.0000000 1.6902320 -0.1784138 0.0000000 0.2712968 1.9542790 8 Be 1.7676290 -0.1340555 0.1545108 -0.1340555 1.9224230 0.0892069 -0.2349499 -0.1356484 1.9542790 9 O -2.0378179 -0.4233494 -0.1533826 -0.4233494 -1.5489761 -0.0885555 -0.0782369 -0.0451701 -2.1552053 10 O -1.8069360 -0.0000000 -0.0000000 0.0000000 -1.8069360 0.0000000 0.0000000 0.0000000 -1.8866148 11 O -1.8069360 -0.0000000 -0.0000000 0.0000000 -1.8069360 0.0000000 0.0000000 0.0000000 -1.8866148 12 O -2.0378179 -0.4233494 0.1533826 -0.4233494 -1.5489761 0.0885555 0.0782369 0.0451701 -2.1552053 13 O -1.3045552 -0.0000000 -0.0000000 0.0000000 -2.2822388 -0.1771110 0.0000000 -0.0903402 -2.1552053 14 O -2.0378179 0.4233494 0.1533826 0.4233494 -1.5489761 -0.0885555 0.0782369 -0.0451701 -2.1552053 15 O -2.0316447 0.0316990 0.4948207 0.0316990 -1.9950419 -0.2856849 0.4415490 -0.2549285 -1.6121409 16 O -1.9767405 -0.0000000 -0.0000000 0.0000000 -2.0499461 -0.5713697 0.0000000 -0.5098569 -1.6121409 17 O -2.0316447 -0.0316990 0.4948207 -0.0316990 -1.9950419 0.2856849 0.4415490 0.2549285 -1.6121409 18 O -2.0316447 -0.0316990 -0.4948207 -0.0316990 -1.9950419 -0.2856849 -0.4415490 -0.2549285 -1.6121409 19 O -1.9767405 -0.0000000 -0.0000000 0.0000000 -2.0499461 0.5713697 0.0000000 0.5098569 -1.6121409 20 O -2.0316447 0.0316990 -0.4948207 0.0316990 -1.9950419 0.2856849 -0.4415490 0.2549285 -1.6121409 21 O -2.0378179 0.4233494 -0.1533826 0.4233494 -1.5489761 0.0885555 -0.0782369 0.0451701 -2.1552053 22 O -1.3045552 -0.0000000 -0.0000000 0.0000000 -2.2822388 0.1771110 0.0000000 0.0903402 -2.1552053 23 Na 1.1524345 0.0000000 -0.0000000 0.0000000 1.1524345 0.0000000 0.0000000 0.0000000 1.1529229 24 Na 1.1524345 0.0000000 -0.0000000 0.0000000 1.1524345 0.0000000 0.0000000 0.0000000 1.1529229 25 Sb 4.5767058 0.0000000 -0.0000000 -0.0000000 4.5767058 0.0000000 0.0000000 0.0000000 4.4571622 26 Sb 4.5767058 0.0000000 -0.0000000 -0.0000000 4.5767058 0.0000000 0.0000000 0.0000000 4.4571622 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000005 (yzy) 0.00000005 (yzy) 0.00000005 (yyz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 6 ] 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: 0.68, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/64) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 64 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 3.112 ( 0.000 -0.000 -0.000) 0.000 3.112 ( 0.000 -0.000 -0.000) 0.000 3.736 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.859 ( 0.000 0.000 0.000) 0.000 3.975 ( 0.000 0.000 -0.000) 0.000 3.975 ( -0.000 0.000 0.000) 0.000 4.017 ( 0.000 -0.000 -0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.650 ( 0.000 0.000 -0.000) 0.000 4.650 ( 0.000 -0.000 0.000) 0.000 5.282 ( 0.000 0.000 -0.000) 0.000 5.947 ( 0.000 0.000 0.000) 0.000 5.947 ( 0.000 0.000 -0.000) 0.000 6.693 ( 0.000 -0.000 0.000) 0.000 8.464 ( -0.000 0.000 -0.000) 0.000 8.464 ( -0.000 0.000 -0.000) 0.000 8.812 ( 0.000 -0.000 -0.000) 0.000 8.812 ( 0.000 0.000 -0.000) 0.000 9.672 ( 0.000 -0.000 0.000) 0.000 9.915 ( -0.000 0.000 -0.000) 0.000 9.915 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 0.000 0.000) 0.000 11.162 ( 0.000 -0.000 0.000) 0.000 11.475 ( -0.000 -0.000 0.000) 0.000 11.736 ( -0.000 0.000 -0.000) 0.000 11.961 ( 0.000 -0.000 0.000) 0.000 11.961 ( 0.000 -0.000 -0.000) 0.000 12.011 ( -0.000 0.000 0.000) 0.000 12.438 ( -0.000 0.000 -0.000) 0.000 13.470 ( 0.000 0.000 0.000) 0.000 13.470 ( 0.000 -0.000 -0.000) 0.000 15.516 ( 0.000 -0.000 -0.000) 0.000 16.694 ( -0.000 -0.000 -0.000) 0.000 16.694 ( 0.000 -0.000 0.000) 0.000 17.476 ( 0.000 0.000 0.000) 0.000 17.476 ( -0.000 -0.000 0.000) 0.000 18.102 ( 0.000 0.000 0.000) 0.000 18.102 ( 0.000 -0.000 0.000) 0.000 18.628 ( 0.000 0.000 0.000) 0.000 18.628 ( 0.000 0.000 -0.000) 0.000 18.749 ( 0.000 0.000 -0.000) 0.000 19.662 ( 0.000 0.000 0.000) 0.000 19.662 ( 0.000 0.000 -0.000) 0.000 20.385 ( -0.000 0.000 0.000) 0.000 20.385 ( -0.000 -0.000 0.000) 0.000 20.550 ( 0.000 -0.000 -0.000) 0.000 20.617 ( 0.000 0.000 0.000) 0.000 20.991 ( 0.000 0.000 -0.000) 0.000 21.062 ( -0.000 0.000 0.000) 0.000 21.062 ( 0.000 -0.000 0.000) 0.000 21.240 ( 0.000 0.000 0.000) 0.000 21.240 ( 0.000 0.000 -0.000) 0.000 21.324 ( 0.000 -0.000 -0.000) 0.000 21.899 ( 0.000 0.000 0.000) 0.000 21.899 ( 0.000 0.000 -0.000) 0.000 21.934 ( 0.000 -0.000 0.000) 0.000 21.934 ( -0.000 -0.000 0.000) 0.000 22.300 ( 0.000 0.000 0.000) 0.000 22.300 ( 0.000 -0.000 -0.000) 0.000 22.317 ( 0.000 -0.000 0.000) 0.000 22.651 ( -0.000 -0.000 0.000) 0.000 22.719 ( 0.000 -0.000 0.000) 0.000 22.938 ( 0.000 -0.000 -0.000) 0.000 22.938 ( 0.000 -0.000 0.000) 0.000 23.126 ( -0.000 0.000 0.000) 0.000 23.126 ( -0.000 0.000 0.000) 0.000 23.443 ( -0.000 -0.000 -0.000) 0.000 23.957 ( 0.000 0.000 0.000) 0.000 23.957 ( 0.000 -0.000 0.000) 0.000 24.605 ( 0.000 -0.000 -0.000) 0.000 26.772 ( 0.000 0.000 0.000) 0.000 27.839 ( 0.000 0.000 0.000) 0.000 28.875 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/64) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( 42.387 24.472 0.000) 48.945 0.990 ( 42.814 24.719 0.000) 49.438 1.754 ( 76.209 43.999 0.000) 87.999 3.216 ( 8.849 5.109 0.000) 10.218 3.423 ( 22.878 13.209 0.000) 26.418 3.808 ( 2.748 1.587 0.000) 3.174 3.930 ( 8.579 4.953 0.000) 9.906 3.973 ( -0.039 -0.023 0.000) 0.046 4.016 ( -0.054 -0.031 0.000) 0.062 4.019 ( 16.931 9.775 0.000) 19.550 4.254 ( -3.008 -1.737 0.000) 3.473 4.363 ( -17.075 -9.858 0.000) 19.716 4.639 ( -0.128 -0.074 0.000) 0.148 4.827 ( 14.092 8.136 0.000) 16.271 5.598 ( 16.713 9.649 0.000) 19.299 6.025 ( 10.358 5.980 0.000) 11.961 6.094 ( 12.234 7.063 0.000) 14.127 6.576 ( -9.700 -5.600 0.000) 11.200 8.495 ( 2.696 1.556 0.000) 3.113 8.810 ( -0.480 -0.277 0.000) 0.554 8.956 ( 11.448 6.609 0.000) 13.219 9.111 ( 11.842 6.837 0.000) 13.674 9.595 ( -6.718 -3.878 0.000) 7.757 9.896 ( -1.376 -0.794 0.000) 1.589 9.905 ( -0.803 -0.463 0.000) 0.927 10.656 ( 8.050 4.647 0.000) 9.295 11.135 ( -2.648 -1.529 0.000) 3.057 11.586 ( 9.490 5.479 0.000) 10.959 11.672 ( -5.639 -3.256 0.000) 6.512 11.820 ( 6.253 3.610 0.000) 7.220 11.924 ( -5.799 -3.348 0.000) 6.696 11.967 ( 2.321 1.340 0.000) 2.680 11.982 ( 1.371 0.791 0.000) 1.583 12.461 ( 2.518 1.454 0.000) 2.908 13.497 ( 2.518 1.454 0.000) 2.907 13.668 ( 12.510 7.223 0.000) 14.445 15.418 ( -8.103 -4.678 0.000) 9.356 16.608 ( -6.789 -3.919 0.000) 7.839 16.678 ( -4.608 -2.660 0.000) 5.321 17.537 ( 4.293 2.478 0.000) 4.957 17.595 ( 7.978 4.606 0.000) 9.212 18.036 ( -5.805 -3.352 0.000) 6.703 18.059 ( -3.756 -2.168 0.000) 4.337 18.532 ( -7.931 -4.579 0.000) 9.158 18.597 ( -2.974 -1.717 0.000) 3.435 18.852 ( 2.441 1.409 0.000) 2.819 19.662 ( 0.158 0.091 0.000) 0.183 19.713 ( 2.469 1.426 0.000) 2.851 20.347 ( -4.163 -2.404 0.000) 4.807 20.354 ( -2.628 -1.517 0.000) 3.034 20.573 ( 1.849 1.068 0.000) 2.135 20.646 ( 2.295 1.325 0.000) 2.651 20.988 ( -3.373 -1.947 0.000) 3.894 20.993 ( -2.531 -1.461 0.000) 2.922 21.021 ( -2.170 -1.253 0.000) 2.506 21.228 ( -1.160 -0.670 0.000) 1.340 21.304 ( 4.471 2.582 0.000) 5.163 21.352 ( 2.265 1.308 0.000) 2.615 21.814 ( -7.101 -4.100 0.000) 8.200 21.866 ( -2.895 -1.672 0.000) 3.343 21.921 ( -1.612 -0.930 0.000) 1.861 22.049 ( -10.629 -6.136 0.000) 12.273 22.200 ( -7.034 -4.061 0.000) 8.122 22.297 ( -1.713 -0.989 0.000) 1.978 22.502 ( -11.727 -6.771 0.000) 13.542 22.665 ( -2.511 -1.450 0.000) 2.900 22.886 ( -5.605 -3.236 0.000) 6.472 23.008 ( 5.096 2.942 0.000) 5.884 23.182 ( 5.153 2.975 0.000) 5.951 23.284 ( -5.045 -2.913 0.000) 5.825 23.480 ( 20.494 11.832 0.000) 23.665 23.825 ( 12.353 7.132 0.000) 14.264 23.988 ( 2.389 1.379 0.000) 2.759 24.648 ( 3.702 2.137 0.000) 4.274 26.841 ( 6.088 3.515 0.000) 7.029 27.827 ( -1.126 -0.650 0.000) 1.301 28.824 ( -4.237 -2.446 0.000) 4.892 29.403 ( -3.271 -1.889 0.000) 3.778 ======================= Grid point 2 (3/64) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 40.584 23.431 0.000) 46.862 1.872 ( 35.865 20.707 0.000) 41.414 3.329 ( 60.616 34.996 0.000) 69.993 3.446 ( 9.741 5.624 0.000) 11.248 3.782 ( 10.874 6.278 0.000) 12.556 3.854 ( 0.071 0.041 0.000) 0.082 3.940 ( -6.733 -3.888 0.000) 7.775 4.019 ( 1.184 0.684 0.000) 1.367 4.068 ( 0.198 0.114 0.000) 0.228 4.169 ( -2.593 -1.497 0.000) 2.994 4.399 ( 22.339 12.898 0.000) 25.795 4.586 ( 29.891 17.257 0.000) 34.515 4.687 ( 11.875 6.856 0.000) 13.713 5.282 ( 26.086 15.061 0.000) 30.122 5.770 ( 2.174 1.255 0.000) 2.511 6.305 ( -13.526 -7.809 0.000) 15.618 6.435 ( 17.008 9.820 0.000) 19.639 6.511 ( 28.988 16.736 0.000) 33.473 8.573 ( 3.908 2.256 0.000) 4.513 8.777 ( -2.539 -1.466 0.000) 2.932 9.199 ( 6.306 3.641 0.000) 7.281 9.300 ( -6.847 -3.953 0.000) 7.907 9.546 ( 14.058 8.116 0.000) 16.232 9.881 ( -1.455 -0.840 0.000) 1.680 9.896 ( 3.275 1.891 0.000) 3.782 10.946 ( 17.426 10.061 0.000) 20.122 11.031 ( -6.912 -3.991 0.000) 7.982 11.436 ( -14.658 -8.463 0.000) 16.926 11.797 ( 1.441 0.832 0.000) 1.664 11.864 ( 1.852 1.070 0.000) 2.139 11.941 ( 13.294 7.675 0.000) 15.351 12.005 ( 0.334 0.193 0.000) 0.385 12.227 ( 19.612 11.323 0.000) 22.646 12.577 ( 8.520 4.919 0.000) 9.838 13.586 ( 5.642 3.257 0.000) 6.514 14.009 ( 16.558 9.560 0.000) 19.120 15.208 ( -9.276 -5.356 0.000) 10.711 16.438 ( -7.744 -4.471 0.000) 8.942 16.561 ( -6.441 -3.719 0.000) 7.438 17.580 ( -3.396 -1.961 0.000) 3.921 17.634 ( -8.139 -4.699 0.000) 9.398 17.880 ( -6.159 -3.556 0.000) 7.112 18.022 ( 2.732 1.577 0.000) 3.155 18.395 ( -4.473 -2.582 0.000) 5.164 18.486 ( -7.118 -4.109 0.000) 8.219 18.815 ( -5.866 -3.387 0.000) 6.773 19.677 ( 1.340 0.774 0.000) 1.548 19.779 ( 2.335 1.348 0.000) 2.697 20.170 ( -10.959 -6.327 0.000) 12.654 20.276 ( -4.247 -2.452 0.000) 4.904 20.612 ( 1.057 0.610 0.000) 1.220 20.714 ( 4.040 2.333 0.000) 4.665 20.880 ( -3.622 -2.091 0.000) 4.182 20.962 ( -2.186 -1.262 0.000) 2.525 21.014 ( 1.868 1.078 0.000) 2.157 21.211 ( 0.795 0.459 0.000) 0.918 21.410 ( 2.706 1.562 0.000) 3.124 21.412 ( 5.063 2.923 0.000) 5.846 21.602 ( -11.529 -6.656 0.000) 13.313 21.735 ( -9.017 -5.206 0.000) 10.412 21.879 ( -1.491 -0.861 0.000) 1.721 21.904 ( -1.418 -0.819 0.000) 1.638 22.074 ( -3.738 -2.158 0.000) 4.316 22.240 ( -3.534 -2.041 0.000) 4.081 22.296 ( -6.510 -3.759 0.000) 7.517 22.539 ( -7.363 -4.251 0.000) 8.502 22.707 ( -9.623 -5.556 0.000) 11.111 23.028 ( -3.657 -2.111 0.000) 4.223 23.290 ( 4.900 2.829 0.000) 5.658 23.312 ( 5.591 3.228 0.000) 6.456 23.860 ( 10.578 6.107 0.000) 12.214 24.039 ( 1.713 0.989 0.000) 1.978 24.167 ( 19.063 11.006 0.000) 22.012 24.758 ( 5.895 3.403 0.000) 6.807 27.028 ( 10.277 5.934 0.000) 11.867 27.785 ( -2.558 -1.477 0.000) 2.954 28.711 ( -5.370 -3.101 0.000) 6.201 29.304 ( -5.365 -3.097 0.000) 6.195 ======================= Grid point 3 (4/64) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.558 ( 25.201 14.550 0.000) 29.100 2.709 ( 36.373 21.000 0.000) 41.999 3.590 ( 3.640 2.102 0.000) 4.203 3.691 ( -8.049 -4.647 0.000) 9.294 3.815 ( 3.429 1.980 0.000) 3.960 3.897 ( -0.155 -0.090 0.000) 0.179 4.008 ( 1.579 0.912 0.000) 1.824 4.117 ( -0.536 -0.310 0.000) 0.619 4.291 ( 15.296 8.831 0.000) 17.662 4.389 ( 5.564 3.212 0.000) 6.425 4.839 ( 40.491 23.377 0.000) 46.754 5.252 ( 25.444 14.690 0.000) 29.381 5.299 ( 28.306 16.342 0.000) 32.685 5.848 ( 8.700 5.023 0.000) 10.045 5.944 ( 22.074 12.744 0.000) 25.489 6.022 ( 0.056 0.032 0.000) 0.064 6.826 ( 17.725 10.233 0.000) 20.467 7.160 ( 27.349 15.790 0.000) 31.580 8.607 ( -2.941 -1.698 0.000) 3.397 8.754 ( 2.941 1.698 0.000) 3.396 9.012 ( -13.652 -7.882 0.000) 15.764 9.184 ( -7.707 -4.450 0.000) 8.899 9.840 ( -2.104 -1.215 0.000) 2.429 9.946 ( 16.930 9.774 0.000) 19.549 10.062 ( 9.573 5.527 0.000) 11.054 10.824 ( -11.613 -6.705 0.000) 13.410 10.984 ( -18.275 -10.551 0.000) 21.102 11.459 ( 18.383 10.613 0.000) 21.226 11.731 ( -4.649 -2.684 0.000) 5.369 12.018 ( 4.905 2.832 0.000) 5.664 12.055 ( 14.489 8.365 0.000) 16.730 12.346 ( 19.195 11.082 0.000) 22.164 12.758 ( 27.304 15.764 0.000) 31.528 12.864 ( 17.748 10.247 0.000) 20.494 13.763 ( 10.721 6.190 0.000) 12.380 14.325 ( 10.215 5.898 0.000) 11.795 15.075 ( -1.339 -0.773 0.000) 1.546 16.282 ( -6.132 -3.540 0.000) 7.080 16.330 ( -15.837 -9.143 0.000) 18.287 17.315 ( -18.722 -10.809 0.000) 21.619 17.317 ( -18.243 -10.533 0.000) 21.065 17.789 ( -5.100 -2.944 0.000) 5.889 18.073 ( -0.349 -0.201 0.000) 0.403 18.291 ( -6.630 -3.828 0.000) 7.656 18.309 ( -7.231 -4.175 0.000) 8.350 18.647 ( -6.179 -3.567 0.000) 7.134 19.722 ( -7.791 -4.498 0.000) 8.996 19.723 ( 2.710 1.565 0.000) 3.129 19.999 ( -2.885 -1.665 0.000) 3.331 20.171 ( -5.038 -2.909 0.000) 5.817 20.619 ( -0.081 -0.047 0.000) 0.093 20.794 ( -3.522 -2.034 0.000) 4.067 20.828 ( 6.033 3.483 0.000) 6.967 20.964 ( 2.651 1.531 0.000) 3.061 21.087 ( 3.924 2.265 0.000) 4.531 21.260 ( -0.550 -0.317 0.000) 0.635 21.357 ( -5.896 -3.404 0.000) 6.809 21.472 ( 3.038 1.754 0.000) 3.508 21.508 ( -4.584 -2.646 0.000) 5.293 21.540 ( 0.794 0.459 0.000) 0.917 21.857 ( -0.627 -0.362 0.000) 0.724 21.959 ( 4.987 2.879 0.000) 5.758 22.014 ( -2.062 -1.190 0.000) 2.381 22.139 ( -5.247 -3.029 0.000) 6.058 22.189 ( -4.027 -2.325 0.000) 4.650 22.390 ( -5.207 -3.006 0.000) 6.013 22.487 ( -9.751 -5.630 0.000) 11.260 22.911 ( -6.355 -3.669 0.000) 7.338 23.402 ( 4.475 2.584 0.000) 5.167 23.415 ( 3.684 2.127 0.000) 4.254 23.982 ( 1.524 0.880 0.000) 1.760 24.051 ( -0.755 -0.436 0.000) 0.872 24.586 ( 16.816 9.709 0.000) 19.417 24.896 ( 6.186 3.571 0.000) 7.143 27.264 ( 9.740 5.623 0.000) 11.246 27.739 ( -0.407 -0.235 0.000) 0.469 28.599 ( -4.778 -2.759 0.000) 5.517 29.177 ( -5.672 -3.275 0.000) 6.549 ======================= Grid point 4 (5/64) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 10.663 6.156 0.000) 12.312 3.400 ( 23.396 13.508 0.000) 27.016 3.576 ( -2.587 -1.493 0.000) 2.987 3.661 ( 3.685 2.128 0.000) 4.255 3.848 ( -0.060 -0.034 0.000) 0.069 3.895 ( 0.132 0.076 0.000) 0.152 4.052 ( 2.502 1.444 0.000) 2.889 4.184 ( 7.762 4.482 0.000) 8.963 4.383 ( -0.748 -0.432 0.000) 0.864 4.633 ( 13.860 8.002 0.000) 16.004 5.454 ( -5.591 -3.228 0.000) 6.456 5.525 ( 2.551 1.473 0.000) 2.946 5.713 ( 21.515 12.421 0.000) 24.843 5.994 ( 14.715 8.496 0.000) 16.991 6.311 ( 28.495 16.452 0.000) 32.903 6.726 ( 30.710 17.730 0.000) 35.461 7.195 ( 14.018 8.094 0.000) 16.187 7.624 ( 11.383 6.572 0.000) 13.144 8.527 ( -1.349 -0.779 0.000) 1.558 8.757 ( -7.657 -4.421 0.000) 8.842 8.867 ( 5.903 3.408 0.000) 6.816 8.977 ( -8.874 -5.123 0.000) 10.246 9.806 ( -0.178 -0.103 0.000) 0.206 10.089 ( -2.170 -1.253 0.000) 2.505 10.330 ( 7.487 4.322 0.000) 8.645 10.525 ( -14.957 -8.636 0.000) 17.271 10.595 ( -10.817 -6.245 0.000) 12.490 11.622 ( -4.706 -2.717 0.000) 5.434 11.659 ( -0.158 -0.091 0.000) 0.183 12.281 ( 17.153 9.903 0.000) 19.806 12.559 ( 27.439 15.842 0.000) 31.683 12.704 ( 11.927 6.886 0.000) 13.772 13.372 ( 26.938 15.553 0.000) 31.106 13.396 ( 28.544 16.480 0.000) 32.959 14.064 ( 15.486 8.941 0.000) 17.882 14.486 ( 8.072 4.660 0.000) 9.320 15.107 ( -0.697 -0.402 0.000) 0.805 15.869 ( -22.117 -12.769 0.000) 25.538 16.165 ( -4.492 -2.593 0.000) 5.187 16.772 ( -31.402 -18.130 0.000) 36.260 16.856 ( -21.611 -12.477 0.000) 24.954 17.574 ( -13.086 -7.555 0.000) 15.111 17.993 ( -5.669 -3.273 0.000) 6.546 18.145 ( -3.514 -2.029 0.000) 4.058 18.219 ( -1.171 -0.676 0.000) 1.352 18.598 ( 0.141 0.081 0.000) 0.163 19.555 ( -5.941 -3.430 0.000) 6.860 19.790 ( 3.116 1.799 0.000) 3.598 19.942 ( -3.105 -1.793 0.000) 3.586 20.062 ( -4.532 -2.617 0.000) 5.233 20.616 ( -0.102 -0.059 0.000) 0.117 20.761 ( 0.294 0.170 0.000) 0.340 20.970 ( 6.356 3.669 0.000) 7.339 21.050 ( 4.427 2.556 0.000) 5.112 21.090 ( -7.815 -4.512 0.000) 9.024 21.151 ( 1.245 0.719 0.000) 1.437 21.350 ( -5.444 -3.143 0.000) 6.286 21.444 ( 6.662 3.846 0.000) 7.692 21.550 ( 4.096 2.365 0.000) 4.729 21.654 ( 5.412 3.125 0.000) 6.250 21.853 ( 0.435 0.251 0.000) 0.502 21.976 ( -1.462 -0.844 0.000) 1.688 22.000 ( -4.634 -2.676 0.000) 5.351 22.043 ( -3.714 -2.144 0.000) 4.288 22.143 ( 2.671 1.542 0.000) 3.084 22.288 ( -7.914 -4.569 0.000) 9.139 22.327 ( -0.233 -0.134 0.000) 0.269 22.756 ( -7.266 -4.195 0.000) 8.390 23.481 ( 2.456 1.418 0.000) 2.837 23.486 ( 3.226 1.863 0.000) 3.725 23.956 ( -3.230 -1.865 0.000) 3.729 24.009 ( -2.749 -1.587 0.000) 3.175 24.884 ( 9.836 5.679 0.000) 11.358 25.019 ( 4.560 2.633 0.000) 5.265 27.401 ( 2.346 1.355 0.000) 2.709 27.829 ( 8.651 4.995 0.000) 9.989 28.482 ( -6.182 -3.569 0.000) 7.139 29.068 ( -3.876 -2.238 0.000) 4.476 ======================= Grid point 5 (6/64) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.078 ( 1.665 0.961 0.000) 1.923 3.546 ( -0.553 -0.319 0.000) 0.638 3.699 ( 5.379 3.106 0.000) 6.211 3.741 ( 2.366 1.366 0.000) 2.732 3.829 ( -1.157 -0.668 0.000) 1.337 3.905 ( 0.585 0.338 0.000) 0.675 4.105 ( 1.764 1.019 0.000) 2.037 4.274 ( -0.879 -0.508 0.000) 1.015 4.618 ( 20.594 11.890 0.000) 23.780 4.856 ( 5.423 3.131 0.000) 6.262 5.115 ( -19.152 -11.057 0.000) 22.115 5.536 ( -0.233 -0.134 0.000) 0.269 6.014 ( 5.249 3.030 0.000) 6.061 6.348 ( 11.458 6.616 0.000) 13.231 6.885 ( 18.999 10.969 0.000) 21.938 7.220 ( 13.141 7.587 0.000) 15.174 7.365 ( 0.372 0.215 0.000) 0.429 7.628 ( -6.986 -4.033 0.000) 8.067 8.574 ( 3.035 1.752 0.000) 3.504 8.718 ( 3.555 2.053 0.000) 4.105 8.833 ( -4.678 -2.701 0.000) 5.402 8.980 ( 3.246 1.874 0.000) 3.748 9.873 ( 6.501 3.754 0.000) 7.507 9.986 ( -4.185 -2.416 0.000) 4.832 10.180 ( -8.092 -4.672 0.000) 9.344 10.191 ( -13.479 -7.782 0.000) 15.564 10.678 ( 5.923 3.420 0.000) 6.839 11.543 ( -2.049 -1.183 0.000) 2.365 11.607 ( -2.295 -1.325 0.000) 2.650 12.582 ( 7.754 4.477 0.000) 8.954 12.871 ( 3.487 2.013 0.000) 4.026 13.086 ( 14.513 8.379 0.000) 16.758 13.919 ( 14.905 8.605 0.000) 17.210 13.974 ( 26.854 15.504 0.000) 31.009 14.360 ( 8.352 4.822 0.000) 9.644 14.708 ( -19.652 -11.346 0.000) 22.692 14.932 ( 18.138 10.472 0.000) 20.944 15.611 ( -1.791 -1.034 0.000) 2.068 15.972 ( -35.639 -20.576 0.000) 41.153 16.085 ( -2.266 -1.308 0.000) 2.617 16.452 ( -11.664 -6.734 0.000) 13.468 17.320 ( -7.227 -4.172 0.000) 8.345 17.905 ( -1.849 -1.068 0.000) 2.135 18.117 ( -0.118 -0.068 0.000) 0.136 18.215 ( 0.184 0.106 0.000) 0.212 18.604 ( 0.166 0.096 0.000) 0.191 19.467 ( -2.000 -1.155 0.000) 2.309 19.853 ( 2.250 1.299 0.000) 2.598 19.881 ( -1.711 -0.988 0.000) 1.976 19.978 ( -2.718 -1.569 0.000) 3.139 20.615 ( -0.027 -0.016 0.000) 0.031 20.777 ( 0.614 0.355 0.000) 0.709 20.970 ( -2.787 -1.609 0.000) 3.218 21.080 ( 2.272 1.311 0.000) 2.623 21.132 ( 2.265 1.307 0.000) 2.615 21.168 ( 1.975 1.140 0.000) 2.280 21.259 ( -3.411 -1.969 0.000) 3.939 21.563 ( 2.963 1.711 0.000) 3.421 21.661 ( 5.316 3.069 0.000) 6.138 21.754 ( 2.916 1.683 0.000) 3.367 21.875 ( 0.922 0.533 0.000) 1.065 21.888 ( -4.806 -2.774 0.000) 5.549 21.940 ( -3.360 -1.940 0.000) 3.880 21.950 ( -0.492 -0.284 0.000) 0.569 22.148 ( -4.086 -2.359 0.000) 4.718 22.194 ( 0.721 0.416 0.000) 0.832 22.388 ( 4.495 2.595 0.000) 5.190 22.603 ( -5.749 -3.319 0.000) 6.639 23.525 ( 1.236 0.713 0.000) 1.427 23.545 ( 1.748 1.009 0.000) 2.018 23.878 ( -2.679 -1.547 0.000) 3.094 23.950 ( -1.816 -1.048 0.000) 2.097 25.028 ( 3.263 1.884 0.000) 3.768 25.088 ( 1.501 0.867 0.000) 1.733 27.418 ( 0.086 0.050 0.000) 0.100 28.057 ( 10.107 5.835 0.000) 11.671 28.317 ( -8.198 -4.733 0.000) 9.466 29.011 ( -1.217 -0.703 0.000) 1.405 ======================= Grid point 12 (7/64) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 23.704 41.057 0.000) 47.408 1.721 ( 24.773 42.908 0.000) 49.545 2.880 ( 35.850 62.094 0.000) 71.700 3.420 ( 8.972 15.539 0.000) 17.943 3.684 ( 4.400 7.621 0.000) 8.800 3.867 ( 2.849 4.935 0.000) 5.699 3.969 ( 0.279 0.484 0.000) 0.559 4.017 ( 0.278 0.481 0.000) 0.556 4.075 ( -6.543 -11.332 0.000) 13.085 4.177 ( 0.360 0.623 0.000) 0.719 4.298 ( 13.567 23.499 0.000) 27.134 4.412 ( 16.788 29.078 0.000) 33.577 4.627 ( -0.061 -0.106 0.000) 0.123 5.116 ( 12.339 21.371 0.000) 24.677 5.892 ( 8.917 15.444 0.000) 17.833 6.096 ( 4.591 7.952 0.000) 9.182 6.382 ( -7.213 -12.493 0.000) 14.426 6.467 ( 14.537 25.180 0.000) 29.075 8.553 ( 2.300 3.983 0.000) 4.600 8.789 ( -1.162 -2.013 0.000) 2.324 9.186 ( 8.023 13.896 0.000) 16.045 9.274 ( 2.279 3.948 0.000) 4.559 9.499 ( 0.187 0.324 0.000) 0.374 9.830 ( -2.181 -3.777 0.000) 4.362 9.946 ( 2.069 3.583 0.000) 4.138 10.827 ( 7.507 13.003 0.000) 15.014 11.114 ( -1.034 -1.791 0.000) 2.068 11.491 ( -7.980 -13.823 0.000) 15.961 11.774 ( -3.499 -6.061 0.000) 6.998 11.784 ( 8.065 13.969 0.000) 16.129 11.919 ( -0.654 -1.132 0.000) 1.307 12.007 ( 1.168 2.024 0.000) 2.337 12.141 ( 10.762 18.640 0.000) 21.523 12.535 ( 4.103 7.106 0.000) 8.206 13.555 ( 2.682 4.645 0.000) 5.364 13.914 ( 9.799 16.972 0.000) 19.598 15.262 ( -5.935 -10.280 0.000) 11.871 16.508 ( -3.722 -6.447 0.000) 7.445 16.574 ( -3.781 -6.548 0.000) 7.561 17.619 ( -2.550 -4.416 0.000) 5.099 17.635 ( 2.135 3.698 0.000) 4.270 17.868 ( -7.103 -12.303 0.000) 14.206 18.069 ( 2.639 4.572 0.000) 5.279 18.410 ( -3.942 -6.827 0.000) 7.884 18.526 ( -3.514 -6.086 0.000) 7.027 18.853 ( -1.340 -2.320 0.000) 2.679 19.660 ( -0.316 -0.548 0.000) 0.632 19.774 ( 2.617 4.533 0.000) 5.234 20.204 ( -6.679 -11.569 0.000) 13.359 20.324 ( -1.512 -2.618 0.000) 3.023 20.610 ( 1.388 2.404 0.000) 2.775 20.688 ( 1.529 2.648 0.000) 3.058 20.925 ( -3.130 -5.421 0.000) 6.260 20.961 ( -0.222 -0.385 0.000) 0.444 20.991 ( 0.129 0.223 0.000) 0.258 21.223 ( -0.607 -1.051 0.000) 1.213 21.376 ( 2.408 4.170 0.000) 4.815 21.381 ( 1.418 2.456 0.000) 2.836 21.644 ( -6.247 -10.820 0.000) 12.493 21.862 ( -2.007 -3.476 0.000) 4.014 21.877 ( -1.743 -3.019 0.000) 3.486 21.891 ( -2.328 -4.032 0.000) 4.656 22.120 ( -2.200 -3.810 0.000) 4.399 22.261 ( -1.624 -2.813 0.000) 3.248 22.367 ( -3.895 -6.746 0.000) 7.789 22.539 ( -5.290 -9.163 0.000) 10.581 22.840 ( -3.444 -5.965 0.000) 6.888 22.976 ( -1.949 -3.376 0.000) 3.898 23.132 ( -1.921 -3.327 0.000) 3.841 23.353 ( 2.182 3.779 0.000) 4.364 23.826 ( 12.124 20.999 0.000) 24.248 24.018 ( 7.469 12.936 0.000) 14.938 24.075 ( 3.897 6.750 0.000) 7.794 24.726 ( 3.164 5.480 0.000) 6.328 26.968 ( 5.355 9.274 0.000) 10.709 27.799 ( -1.371 -2.375 0.000) 2.743 28.752 ( -2.629 -4.554 0.000) 5.259 29.322 ( -3.576 -6.193 0.000) 7.151 ======================= Grid point 13 (8/64) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.410 ( 28.940 33.033 0.000) 43.917 2.478 ( 17.775 36.529 0.000) 40.624 3.558 ( 6.507 7.027 0.000) 9.577 3.714 ( -0.689 -2.899 0.000) 2.979 3.843 ( -6.118 -1.414 0.000) 6.279 3.945 ( 1.383 8.868 0.000) 8.975 3.976 ( 4.764 3.922 0.000) 6.170 4.104 ( 12.849 4.975 0.000) 13.779 4.136 ( 7.321 5.937 0.000) 9.426 4.175 ( 19.037 14.281 0.000) 23.798 4.636 ( 5.227 13.349 0.000) 14.336 4.984 ( 27.734 22.562 0.000) 35.752 5.099 ( 23.451 34.467 0.000) 41.688 5.621 ( 22.061 20.250 0.000) 29.946 6.037 ( -6.311 22.159 0.000) 23.041 6.104 ( -9.461 -10.224 0.000) 13.930 6.477 ( 27.917 2.497 0.000) 28.028 7.003 ( 17.907 26.146 0.000) 31.690 8.624 ( 1.150 2.133 0.000) 2.423 8.726 ( -1.902 -4.043 0.000) 4.468 9.102 ( -9.286 -12.856 0.000) 15.859 9.325 ( -6.386 5.103 0.000) 8.175 9.768 ( 15.883 13.066 0.000) 20.567 9.843 ( 5.960 1.974 0.000) 6.278 10.032 ( 0.707 9.428 0.000) 9.455 11.005 ( -11.373 -0.157 0.000) 11.374 11.113 ( -2.280 -0.484 0.000) 2.331 11.211 ( 7.712 -6.442 0.000) 10.048 11.710 ( 3.221 -7.471 0.000) 8.136 11.893 ( 2.180 1.011 0.000) 2.403 11.996 ( 2.387 0.921 0.000) 2.559 12.154 ( 13.028 10.729 0.000) 16.877 12.616 ( 18.247 27.627 0.000) 33.109 12.770 ( 11.091 16.193 0.000) 19.627 13.692 ( 6.991 8.610 0.000) 11.091 14.258 ( 10.539 15.366 0.000) 18.633 15.076 ( -4.166 -7.660 0.000) 8.720 16.363 ( -7.231 -3.938 0.000) 8.234 16.422 ( -6.782 -10.604 0.000) 12.587 17.358 ( -12.920 -19.790 0.000) 23.634 17.526 ( -11.258 -10.953 0.000) 15.707 17.732 ( 1.269 -5.020 0.000) 5.177 18.179 ( -3.644 7.780 0.000) 8.590 18.307 ( 0.901 -5.693 0.000) 5.764 18.363 ( -6.720 -6.459 0.000) 9.321 18.755 ( -7.068 -2.565 0.000) 7.520 19.613 ( -1.137 -9.232 0.000) 9.302 19.844 ( -1.550 4.567 0.000) 4.823 19.997 ( -2.306 -7.224 0.000) 7.583 20.241 ( -5.134 -2.710 0.000) 5.806 20.644 ( -0.824 2.773 0.000) 2.893 20.751 ( 4.420 0.953 0.000) 4.521 20.818 ( -2.889 -4.149 0.000) 5.056 20.989 ( 0.059 4.869 0.000) 4.869 21.035 ( 3.662 1.660 0.000) 4.021 21.203 ( 2.208 -2.760 0.000) 3.535 21.391 ( -5.414 -8.948 0.000) 10.458 21.457 ( 1.316 2.694 0.000) 2.999 21.482 ( 2.570 3.036 0.000) 3.978 21.736 ( -11.074 3.426 0.000) 11.592 21.848 ( 0.436 -1.102 0.000) 1.185 21.902 ( 3.973 -0.346 0.000) 3.988 22.062 ( -2.783 0.307 0.000) 2.800 22.188 ( -3.534 -3.352 0.000) 4.871 22.247 ( -5.429 -2.022 0.000) 5.793 22.368 ( -3.381 -9.525 0.000) 10.107 22.676 ( -10.645 -3.113 0.000) 11.091 22.838 ( -1.673 -12.556 0.000) 12.667 23.144 ( 8.715 -12.659 0.000) 15.369 23.399 ( 1.818 1.191 0.000) 2.173 24.105 ( -0.242 15.456 0.000) 15.458 24.187 ( -1.944 14.660 0.000) 14.788 24.385 ( 18.614 10.550 0.000) 21.396 24.843 ( 4.538 4.773 0.000) 6.585 27.178 ( 8.365 9.093 0.000) 12.355 27.742 ( -1.743 -2.845 0.000) 3.337 28.663 ( -4.314 -1.693 0.000) 4.634 29.181 ( -3.771 -9.481 0.000) 10.204 ======================= Grid point 14 (9/64) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.951 ( 5.675 19.228 0.000) 20.048 3.157 ( 25.467 23.673 0.000) 34.770 3.643 ( -1.777 1.885 0.000) 2.591 3.658 ( 0.196 5.132 0.000) 5.136 3.811 ( 1.032 -1.338 0.000) 1.690 3.987 ( -3.296 9.622 0.000) 10.171 4.033 ( 1.960 2.365 0.000) 3.072 4.126 ( 2.216 1.263 0.000) 2.551 4.348 ( 3.595 -1.740 0.000) 3.994 4.551 ( 12.135 14.735 0.000) 19.089 5.264 ( 30.642 20.761 0.000) 37.013 5.490 ( 13.836 4.607 0.000) 14.583 5.660 ( 1.727 20.855 0.000) 20.926 5.853 ( -0.039 -4.818 0.000) 4.818 6.126 ( 19.433 21.449 0.000) 28.943 6.476 ( 22.436 29.554 0.000) 37.106 6.963 ( 23.140 7.516 0.000) 24.330 7.513 ( 15.361 18.024 0.000) 23.682 8.555 ( -5.493 -4.282 0.000) 6.965 8.701 ( 1.082 -7.678 0.000) 7.753 8.854 ( -3.677 -8.763 0.000) 9.503 9.169 ( -12.679 3.433 0.000) 13.135 9.930 ( -2.930 10.085 0.000) 10.502 10.125 ( -0.824 6.054 0.000) 6.110 10.169 ( 15.991 9.049 0.000) 18.373 10.671 ( -15.900 -13.729 0.000) 21.007 10.831 ( -17.918 0.188 0.000) 17.919 11.539 ( 14.985 -1.396 0.000) 15.050 11.659 ( -2.230 -4.596 0.000) 5.108 12.087 ( 11.351 3.323 0.000) 11.828 12.142 ( 25.477 2.047 0.000) 25.559 12.474 ( 16.244 2.509 0.000) 16.437 13.182 ( 15.952 19.223 0.000) 24.980 13.240 ( 20.823 31.259 0.000) 37.560 13.993 ( 12.967 20.409 0.000) 24.180 14.485 ( 1.673 10.103 0.000) 10.241 15.030 ( 5.005 -4.383 0.000) 6.653 16.048 ( -17.975 -19.777 0.000) 26.725 16.232 ( -6.305 -2.825 0.000) 6.910 16.846 ( -18.931 -30.214 0.000) 35.655 17.217 ( -16.876 -5.787 0.000) 17.841 17.647 ( -5.001 -7.492 0.000) 9.007 18.062 ( -7.230 -6.085 0.000) 9.450 18.130 ( -5.735 -8.249 0.000) 10.047 18.373 ( -4.865 9.641 0.000) 10.799 18.632 ( -4.102 0.703 0.000) 4.162 19.464 ( 0.351 -15.955 0.000) 15.958 19.846 ( -1.766 4.145 0.000) 4.505 19.950 ( -1.824 -2.926 0.000) 3.448 20.135 ( -4.480 -0.618 0.000) 4.522 20.643 ( -1.824 2.441 0.000) 3.047 20.768 ( -0.720 0.275 0.000) 0.771 20.852 ( 7.071 -0.453 0.000) 7.085 21.065 ( 1.428 1.090 0.000) 1.797 21.073 ( 0.739 1.505 0.000) 1.677 21.196 ( -5.027 -4.664 0.000) 6.857 21.266 ( 6.615 -1.730 0.000) 6.838 21.527 ( -0.018 6.214 0.000) 6.214 21.585 ( -4.476 5.768 0.000) 7.301 21.609 ( 0.831 4.410 0.000) 4.488 21.841 ( 0.416 -1.085 0.000) 1.162 21.994 ( 4.225 -0.011 0.000) 4.225 22.035 ( -1.298 2.261 0.000) 2.608 22.082 ( -4.811 -3.077 0.000) 5.711 22.127 ( -5.479 -3.727 0.000) 6.626 22.272 ( -0.407 -4.502 0.000) 4.520 22.459 ( -10.335 -2.335 0.000) 10.596 22.717 ( 1.907 -14.425 0.000) 14.550 23.117 ( 7.381 -19.834 0.000) 21.163 23.474 ( 6.237 0.342 0.000) 6.246 24.163 ( -8.940 14.173 0.000) 16.757 24.265 ( -7.801 17.769 0.000) 19.406 24.750 ( 13.772 7.251 0.000) 15.565 24.960 ( 4.928 2.734 0.000) 5.636 27.376 ( 4.784 5.923 0.000) 7.613 27.735 ( 4.724 -0.131 0.000) 4.726 28.565 ( -6.508 -1.017 0.000) 6.587 29.035 ( -0.985 -11.298 0.000) 11.340 ======================= Grid point 15 (10/64) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.075 ( 0.057 2.446 0.000) 2.447 3.618 ( 7.707 7.311 0.000) 10.624 3.630 ( -0.915 5.917 0.000) 5.987 3.749 ( 1.161 6.325 0.000) 6.431 3.815 ( 0.512 -1.126 0.000) 1.237 4.036 ( -5.154 15.665 0.000) 16.491 4.082 ( 1.368 1.826 0.000) 2.282 4.237 ( 3.631 -1.046 0.000) 3.779 4.435 ( 12.688 9.260 0.000) 15.707 4.871 ( 5.677 16.220 0.000) 17.185 5.305 ( -14.768 -9.018 0.000) 17.304 5.661 ( -6.300 9.853 0.000) 11.695 5.929 ( 11.565 8.524 0.000) 14.367 6.096 ( 21.749 4.660 0.000) 22.243 6.710 ( 21.145 21.219 0.000) 29.956 7.053 ( 16.573 14.229 0.000) 21.843 7.314 ( 8.370 5.268 0.000) 9.890 7.761 ( -2.145 8.145 0.000) 8.423 8.444 ( 1.441 -10.357 0.000) 10.457 8.625 ( 3.465 -5.366 0.000) 6.388 8.816 ( 3.362 -5.771 0.000) 6.679 9.076 ( -5.312 9.894 0.000) 11.229 9.972 ( -2.843 8.457 0.000) 8.923 10.066 ( -11.211 4.782 0.000) 12.188 10.223 ( -7.307 -8.896 0.000) 11.512 10.511 ( -20.572 5.792 0.000) 21.372 10.573 ( 8.655 2.601 0.000) 9.037 11.554 ( -2.129 -4.684 0.000) 5.145 11.629 ( -0.565 -1.391 0.000) 1.501 12.388 ( 16.348 0.447 0.000) 16.354 12.669 ( 26.706 -2.086 0.000) 26.788 12.754 ( 21.142 0.098 0.000) 21.142 13.626 ( 19.401 9.218 0.000) 21.480 13.853 ( 18.036 26.912 0.000) 32.397 14.363 ( 1.793 14.759 0.000) 14.868 14.725 ( 16.697 23.675 0.000) 28.970 14.941 ( -11.810 -17.689 0.000) 21.269 15.621 ( -6.412 -10.233 0.000) 12.076 16.102 ( -6.899 -9.324 0.000) 11.599 16.184 ( -20.749 -27.713 0.000) 34.620 16.804 ( -26.869 -0.551 0.000) 26.875 17.457 ( -10.114 -2.240 0.000) 10.359 17.921 ( -1.433 -4.540 0.000) 4.761 18.023 ( -0.265 -5.969 0.000) 5.975 18.352 ( -6.439 8.610 0.000) 10.751 18.618 ( -0.823 1.762 0.000) 1.945 19.353 ( 3.802 -14.280 0.000) 14.777 19.818 ( 0.260 -7.319 0.000) 7.323 19.924 ( -2.022 6.527 0.000) 6.833 20.070 ( -4.802 2.241 0.000) 5.299 20.637 ( -1.463 2.126 0.000) 2.581 20.781 ( 0.083 2.131 0.000) 2.133 20.953 ( 4.143 -4.309 0.000) 5.977 20.982 ( 0.413 -3.780 0.000) 3.802 21.141 ( 2.234 -0.248 0.000) 2.247 21.188 ( 0.391 6.879 0.000) 6.890 21.305 ( -2.432 -0.686 0.000) 2.527 21.523 ( 1.060 1.936 0.000) 2.208 21.642 ( 2.190 6.327 0.000) 6.696 21.725 ( 3.861 4.029 0.000) 5.580 21.857 ( 1.996 0.596 0.000) 2.083 21.943 ( -5.169 -3.768 0.000) 6.396 21.993 ( -2.981 0.905 0.000) 3.115 22.007 ( -5.155 0.469 0.000) 5.176 22.089 ( 2.092 -4.623 0.000) 5.074 22.239 ( -1.062 -0.442 0.000) 1.150 22.344 ( 0.211 -1.779 0.000) 1.791 22.609 ( -0.696 -9.802 0.000) 9.826 23.044 ( 10.622 -24.940 0.000) 27.107 23.596 ( 7.199 0.459 0.000) 7.214 24.102 ( -14.933 16.104 0.000) 21.962 24.278 ( -10.891 18.382 0.000) 21.367 24.972 ( 6.613 3.704 0.000) 7.580 25.049 ( 3.514 0.638 0.000) 3.572 27.436 ( -0.886 2.652 0.000) 2.796 27.909 ( 12.298 2.987 0.000) 12.656 28.411 ( -8.825 -4.332 0.000) 9.831 28.946 ( 2.553 -9.982 0.000) 10.303 ======================= Grid point 16 (11/64) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( 0.431 -0.746 0.000) 0.862 3.622 ( -3.144 5.446 0.000) 6.289 3.729 ( -0.175 0.303 0.000) 0.350 3.793 ( -1.973 3.417 0.000) 3.945 3.804 ( 0.580 -1.005 0.000) 1.160 4.082 ( -10.359 17.943 0.000) 20.718 4.106 ( 0.564 -0.977 0.000) 1.128 4.234 ( 1.435 -2.485 0.000) 2.869 4.796 ( -0.099 0.172 0.000) 0.199 4.959 ( -1.289 2.232 0.000) 2.578 5.012 ( -6.626 11.476 0.000) 13.251 5.650 ( -5.912 10.239 0.000) 11.823 6.031 ( 0.773 -1.338 0.000) 1.545 6.365 ( 2.331 -4.038 0.000) 4.663 7.060 ( -3.269 5.662 0.000) 6.537 7.279 ( 0.582 -1.007 0.000) 1.163 7.333 ( 0.453 -0.784 0.000) 0.905 7.724 ( -7.073 12.252 0.000) 14.147 8.411 ( 8.613 -14.918 0.000) 17.226 8.676 ( 3.142 -5.442 0.000) 6.283 8.812 ( 0.659 -1.141 0.000) 1.317 9.107 ( -4.346 7.527 0.000) 8.692 9.887 ( 4.120 -7.135 0.000) 8.239 10.101 ( -9.346 16.187 0.000) 18.691 10.120 ( -2.140 3.706 0.000) 4.280 10.280 ( -8.356 14.473 0.000) 16.712 10.692 ( 1.005 -1.740 0.000) 2.009 11.507 ( 1.314 -2.276 0.000) 2.628 11.608 ( -0.664 1.150 0.000) 1.328 12.529 ( 5.014 -8.685 0.000) 10.028 12.825 ( 4.404 -7.627 0.000) 8.807 13.061 ( 6.001 -10.394 0.000) 12.002 13.895 ( 2.991 -5.180 0.000) 5.982 14.351 ( 1.059 -1.834 0.000) 2.118 14.386 ( -6.961 12.057 0.000) 13.922 14.453 ( 4.049 -7.013 0.000) 8.098 15.268 ( -8.546 14.802 0.000) 17.092 15.551 ( 5.073 -8.787 0.000) 10.146 15.593 ( 3.384 -5.862 0.000) 6.769 16.057 ( 0.898 -1.556 0.000) 1.797 16.517 ( -6.130 10.618 0.000) 12.261 17.347 ( -3.771 6.532 0.000) 7.542 17.899 ( -0.269 0.467 0.000) 0.539 17.992 ( 4.676 -8.099 0.000) 9.352 18.340 ( -4.635 8.028 0.000) 9.270 18.619 ( -0.841 1.456 0.000) 1.682 19.315 ( 7.027 -12.172 0.000) 14.055 19.779 ( 4.061 -7.034 0.000) 8.123 19.952 ( -3.757 6.508 0.000) 7.514 20.031 ( -2.581 4.471 0.000) 5.162 20.636 ( -1.186 2.053 0.000) 2.371 20.794 ( -0.922 1.597 0.000) 1.844 20.922 ( 1.675 -2.902 0.000) 3.351 21.011 ( 2.698 -4.673 0.000) 5.396 21.206 ( -1.497 2.593 0.000) 2.994 21.215 ( 1.037 -1.796 0.000) 2.074 21.238 ( -2.799 4.847 0.000) 5.597 21.561 ( 1.607 -2.784 0.000) 3.214 21.714 ( -1.707 2.957 0.000) 3.415 21.775 ( -0.020 0.034 0.000) 0.040 21.859 ( -0.251 0.435 0.000) 0.503 21.916 ( -1.786 3.093 0.000) 3.571 21.925 ( -0.347 0.601 0.000) 0.694 21.986 ( -2.130 3.690 0.000) 4.260 22.055 ( 2.605 -4.512 0.000) 5.211 22.229 ( -0.573 0.993 0.000) 1.147 22.369 ( 3.431 -5.943 0.000) 6.862 22.539 ( 1.760 -3.049 0.000) 3.520 23.010 ( 14.722 -25.500 0.000) 29.445 23.675 ( 2.347 -4.066 0.000) 4.695 24.036 ( -12.451 21.565 0.000) 24.901 24.273 ( -11.064 19.163 0.000) 22.127 25.045 ( -0.024 0.042 0.000) 0.048 25.082 ( 0.651 -1.128 0.000) 1.302 27.438 ( -1.315 2.277 0.000) 2.629 28.101 ( 1.885 -3.266 0.000) 3.771 28.244 ( 0.431 -0.746 0.000) 0.862 28.921 ( 4.797 -8.308 0.000) 9.594 ======================= Grid point 25 (12/64) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.029 ( 8.772 15.194 0.000) 17.544 3.050 ( 18.245 31.601 0.000) 36.490 3.658 ( 1.904 3.299 0.000) 3.809 3.693 ( 2.196 3.804 0.000) 4.392 3.805 ( -0.685 -1.186 0.000) 1.369 4.024 ( 1.758 3.045 0.000) 3.516 4.098 ( 1.074 1.860 0.000) 2.148 4.165 ( 5.496 9.519 0.000) 10.991 4.278 ( 3.442 5.962 0.000) 6.884 4.452 ( 9.342 16.180 0.000) 18.683 5.099 ( 18.221 31.559 0.000) 36.442 5.378 ( 8.832 15.298 0.000) 17.665 5.757 ( 16.260 28.163 0.000) 32.519 5.847 ( -7.009 -12.140 0.000) 14.018 6.054 ( 13.480 23.348 0.000) 26.960 6.567 ( 12.676 21.955 0.000) 25.352 6.663 ( 14.443 25.016 0.000) 28.885 7.472 ( 12.639 21.891 0.000) 25.278 8.610 ( -4.244 -7.350 0.000) 8.488 8.629 ( -1.588 -2.751 0.000) 3.176 8.837 ( -7.581 -13.131 0.000) 15.162 9.331 ( -2.296 -3.978 0.000) 4.593 9.998 ( 6.346 10.991 0.000) 12.692 10.008 ( 6.838 11.844 0.000) 13.676 10.241 ( 6.083 10.536 0.000) 12.165 10.772 ( -11.086 -19.201 0.000) 22.171 11.039 ( -0.673 -1.165 0.000) 1.346 11.328 ( 4.866 8.429 0.000) 9.733 11.583 ( -2.394 -4.147 0.000) 4.789 11.916 ( 2.247 3.893 0.000) 4.495 12.037 ( 1.934 3.349 0.000) 3.867 12.339 ( 4.932 8.542 0.000) 9.864 13.150 ( 11.514 19.943 0.000) 23.029 13.225 ( 19.612 33.969 0.000) 39.224 13.985 ( 13.731 23.783 0.000) 27.463 14.546 ( 7.131 12.352 0.000) 14.262 14.942 ( -3.065 -5.309 0.000) 6.130 16.101 ( -13.085 -22.664 0.000) 26.170 16.280 ( -3.417 -5.918 0.000) 6.833 16.859 ( -17.959 -31.106 0.000) 35.918 17.301 ( -5.238 -9.072 0.000) 10.476 17.658 ( -2.731 -4.729 0.000) 5.461 18.093 ( -7.512 -13.011 0.000) 15.023 18.144 ( -3.541 -6.134 0.000) 7.083 18.472 ( 5.399 9.352 0.000) 10.799 18.697 ( -2.236 -3.872 0.000) 4.471 19.361 ( -7.971 -13.806 0.000) 15.942 19.879 ( -2.033 -3.522 0.000) 4.067 19.952 ( 1.166 2.020 0.000) 2.332 20.173 ( -1.768 -3.062 0.000) 3.536 20.706 ( 1.447 2.506 0.000) 2.893 20.751 ( 0.316 0.548 0.000) 0.633 20.784 ( 0.561 0.972 0.000) 1.122 21.036 ( -1.373 -2.378 0.000) 2.745 21.116 ( 3.665 6.348 0.000) 7.330 21.151 ( -1.745 -3.022 0.000) 3.490 21.237 ( -1.295 -2.244 0.000) 2.591 21.550 ( 3.197 5.538 0.000) 6.395 21.579 ( 3.766 6.523 0.000) 7.533 21.796 ( -0.004 -0.007 0.000) 0.009 21.816 ( -2.043 -3.539 0.000) 4.087 21.889 ( 0.641 1.110 0.000) 1.281 22.071 ( 0.262 0.454 0.000) 0.524 22.108 ( -2.654 -4.597 0.000) 5.308 22.203 ( -1.762 -3.052 0.000) 3.525 22.235 ( -2.111 -3.657 0.000) 4.223 22.535 ( -4.828 -8.362 0.000) 9.656 22.590 ( -8.231 -14.257 0.000) 16.462 22.933 ( -4.821 -8.350 0.000) 9.642 23.432 ( 2.255 3.905 0.000) 4.510 24.315 ( 4.131 7.155 0.000) 8.262 24.520 ( 6.059 10.495 0.000) 12.119 24.578 ( 8.339 14.443 0.000) 16.677 24.930 ( 2.464 4.269 0.000) 4.929 27.363 ( 5.552 9.616 0.000) 11.104 27.692 ( -0.948 -1.641 0.000) 1.895 28.637 ( -0.914 -1.583 0.000) 1.827 28.960 ( -7.252 -12.562 0.000) 14.505 ======================= Grid point 26 (13/64) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -1.839 -0.365 0.000) 1.875 3.542 ( 11.441 14.547 0.000) 18.507 3.696 ( -0.551 2.788 0.000) 2.842 3.764 ( 1.449 0.586 0.000) 1.563 3.835 ( 0.593 5.357 0.000) 5.390 4.078 ( -0.523 1.513 0.000) 1.601 4.128 ( 4.097 -0.167 0.000) 4.101 4.356 ( 6.361 7.313 0.000) 9.692 4.417 ( -3.670 31.370 0.000) 31.584 4.872 ( 16.832 17.112 0.000) 24.003 5.425 ( -8.192 -7.250 0.000) 10.939 5.722 ( 22.054 22.097 0.000) 31.220 5.751 ( 3.109 0.368 0.000) 3.131 6.038 ( -1.093 10.710 0.000) 10.765 6.564 ( 20.132 23.485 0.000) 30.933 6.989 ( 12.425 21.013 0.000) 24.411 7.202 ( 16.356 17.495 0.000) 23.949 7.800 ( 6.513 10.112 0.000) 12.028 8.421 ( -8.420 -9.062 0.000) 12.370 8.543 ( -1.105 -6.830 0.000) 6.919 8.679 ( 2.400 -8.150 0.000) 8.496 9.245 ( -5.397 2.301 0.000) 5.866 10.040 ( -6.583 -6.450 0.000) 9.216 10.231 ( 2.124 2.533 0.000) 3.306 10.313 ( 0.590 4.642 0.000) 4.679 10.582 ( -5.732 15.658 0.000) 16.674 10.935 ( -16.051 8.796 0.000) 18.303 11.463 ( 6.460 -4.529 0.000) 7.890 11.568 ( 5.183 -4.768 0.000) 7.043 12.131 ( 13.819 2.943 0.000) 14.129 12.180 ( 19.540 1.674 0.000) 19.612 12.491 ( 8.935 0.033 0.000) 8.935 13.488 ( 11.027 13.240 0.000) 17.230 13.855 ( 16.553 30.124 0.000) 34.373 14.524 ( 2.598 22.326 0.000) 22.477 14.678 ( 10.591 12.359 0.000) 16.276 14.891 ( 0.424 -7.700 0.000) 7.712 15.631 ( -11.320 -18.800 0.000) 21.945 16.124 ( -9.201 -14.568 0.000) 17.230 16.236 ( -16.032 -24.729 0.000) 29.471 17.128 ( -12.455 -4.491 0.000) 13.240 17.557 ( -3.910 -1.302 0.000) 4.121 17.870 ( -3.656 -10.128 0.000) 10.768 18.039 ( -3.720 -3.471 0.000) 5.088 18.555 ( -6.983 7.141 0.000) 9.988 18.649 ( 0.498 1.298 0.000) 1.391 19.153 ( 0.258 -15.276 0.000) 15.279 19.751 ( -3.095 -9.962 0.000) 10.432 20.003 ( 0.198 5.216 0.000) 5.220 20.140 ( -1.669 0.513 0.000) 1.746 20.706 ( -3.307 3.770 0.000) 5.015 20.806 ( 2.731 1.422 0.000) 3.079 20.838 ( 3.669 1.118 0.000) 3.835 20.957 ( -1.820 -4.902 0.000) 5.229 21.080 ( 1.031 -4.440 0.000) 4.558 21.233 ( 2.272 6.530 0.000) 6.914 21.297 ( 2.888 2.995 0.000) 4.160 21.615 ( -6.638 -0.617 0.000) 6.667 21.685 ( -1.408 4.780 0.000) 4.983 21.709 ( 3.749 6.218 0.000) 7.260 21.821 ( 2.232 -0.657 0.000) 2.327 21.921 ( 2.725 -4.197 0.000) 5.004 22.029 ( -2.834 -2.070 0.000) 3.510 22.072 ( -1.082 0.335 0.000) 1.132 22.115 ( -5.835 1.319 0.000) 5.982 22.224 ( 1.391 -1.454 0.000) 2.012 22.325 ( -5.454 -10.948 0.000) 12.231 22.441 ( 3.833 -11.982 0.000) 12.580 22.783 ( -1.046 -13.123 0.000) 13.165 23.560 ( 4.618 9.142 0.000) 10.242 24.382 ( -4.157 6.715 0.000) 7.897 24.591 ( -6.867 13.304 0.000) 14.972 24.873 ( 10.837 6.322 0.000) 12.546 25.011 ( 2.778 3.228 0.000) 4.258 27.502 ( -0.480 7.468 0.000) 7.483 27.734 ( 8.721 0.093 0.000) 8.722 28.544 ( -10.626 -1.713 0.000) 10.763 28.764 ( 2.791 -15.895 0.000) 16.138 ======================= Grid point 27 (14/64) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.068 ( -0.661 -1.583 0.000) 1.715 3.699 ( -1.090 3.098 0.000) 3.284 3.725 ( 1.819 2.866 0.000) 3.395 3.785 ( 1.006 -0.395 0.000) 1.081 3.868 ( -1.974 4.321 0.000) 4.750 4.079 ( 0.803 -1.096 0.000) 1.359 4.143 ( 1.996 -4.730 0.000) 5.134 4.584 ( -12.564 32.465 0.000) 34.811 4.688 ( 13.422 15.035 0.000) 20.155 5.129 ( -14.032 -5.896 0.000) 15.220 5.233 ( 0.998 17.538 0.000) 17.566 5.796 ( 0.108 1.419 0.000) 1.424 5.984 ( 1.044 -3.048 0.000) 3.222 6.267 ( 10.466 13.258 0.000) 16.892 7.080 ( 14.221 17.390 0.000) 22.464 7.261 ( 2.442 8.841 0.000) 9.172 7.392 ( -4.786 1.837 0.000) 5.126 7.916 ( 2.414 2.823 0.000) 3.714 8.182 ( -5.653 -10.281 0.000) 11.733 8.567 ( 5.934 -0.948 0.000) 6.009 8.707 ( 6.571 -6.850 0.000) 9.492 9.212 ( -2.184 3.434 0.000) 4.070 9.765 ( -4.145 -16.745 0.000) 17.251 10.227 ( -3.680 6.812 0.000) 7.743 10.424 ( -3.527 13.532 0.000) 13.984 10.672 ( -5.187 15.753 0.000) 16.585 10.745 ( -18.278 16.924 0.000) 24.910 11.457 ( 1.069 -4.600 0.000) 4.723 11.618 ( 1.760 -0.096 0.000) 1.763 12.312 ( 10.628 -7.777 0.000) 13.169 12.563 ( 15.446 -7.768 0.000) 17.289 12.719 ( 22.036 -3.749 0.000) 22.353 13.783 ( 10.091 7.542 0.000) 12.598 14.270 ( 2.772 2.812 0.000) 3.948 14.344 ( -2.319 -9.118 0.000) 9.409 14.637 ( -11.226 -5.298 0.000) 12.414 15.247 ( 13.822 14.011 0.000) 19.681 15.526 ( 2.926 0.911 0.000) 3.064 15.680 ( -13.058 -3.698 0.000) 13.572 16.036 ( -2.404 -5.149 0.000) 5.682 16.783 ( -18.171 -2.953 0.000) 18.409 17.508 ( -5.817 6.629 0.000) 8.819 17.824 ( 5.777 -4.968 0.000) 7.620 17.943 ( -4.124 -2.530 0.000) 4.838 18.498 ( -5.796 6.560 0.000) 8.754 18.661 ( -1.692 2.518 0.000) 3.033 19.064 ( 5.990 -14.723 0.000) 15.895 19.641 ( 2.087 -9.789 0.000) 10.009 20.053 ( -0.803 5.670 0.000) 5.727 20.111 ( -2.836 1.612 0.000) 3.263 20.690 ( -2.351 3.047 0.000) 3.848 20.846 ( -1.194 4.118 0.000) 4.287 20.866 ( 1.140 -2.861 0.000) 3.080 20.930 ( 1.967 -2.573 0.000) 3.238 21.124 ( 6.637 -0.894 0.000) 6.697 21.283 ( -3.907 -1.050 0.000) 4.045 21.316 ( -1.426 4.050 0.000) 4.294 21.497 ( -0.047 -3.969 0.000) 3.969 21.750 ( 1.650 3.073 0.000) 3.489 21.797 ( -0.496 4.059 0.000) 4.090 21.857 ( 1.036 -1.459 0.000) 1.789 21.920 ( 1.429 2.826 0.000) 3.167 21.976 ( -1.562 -2.267 0.000) 2.753 22.018 ( -2.985 -1.334 0.000) 3.270 22.078 ( -2.578 3.887 0.000) 4.664 22.210 ( 2.583 -9.118 0.000) 9.476 22.229 ( 0.785 -1.778 0.000) 1.944 22.419 ( 5.537 -10.031 0.000) 11.458 22.669 ( 2.795 -11.919 0.000) 12.243 23.714 ( -0.200 11.659 0.000) 11.661 24.333 ( -6.542 5.320 0.000) 8.432 24.592 ( -7.485 12.647 0.000) 14.696 25.036 ( 3.024 3.346 0.000) 4.510 25.070 ( 0.668 2.281 0.000) 2.376 27.520 ( -3.781 6.503 0.000) 7.522 27.944 ( 13.064 0.843 0.000) 13.091 28.296 ( -10.214 -8.010 0.000) 12.981 28.721 ( 6.215 -11.883 0.000) 13.410 ======================= Grid point 37 (15/64) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.067 ( -1.304 -2.258 0.000) 2.608 3.710 ( 2.436 4.220 0.000) 4.873 3.746 ( 1.205 2.088 0.000) 2.411 3.764 ( 0.135 0.234 0.000) 0.270 3.914 ( 1.546 2.677 0.000) 3.092 4.075 ( -0.784 -1.358 0.000) 1.568 4.086 ( -1.592 -2.758 0.000) 3.184 4.618 ( 9.999 17.319 0.000) 19.999 5.046 ( 14.076 24.381 0.000) 28.153 5.174 ( 9.655 16.723 0.000) 19.311 5.237 ( -5.628 -9.748 0.000) 11.256 5.768 ( 0.276 0.479 0.000) 0.553 5.947 ( -2.406 -4.168 0.000) 4.812 6.276 ( 10.785 18.681 0.000) 21.571 7.026 ( 13.642 23.628 0.000) 27.283 7.307 ( 6.837 11.842 0.000) 13.674 7.458 ( 2.667 4.620 0.000) 5.335 7.814 ( -4.494 -7.784 0.000) 8.988 8.304 ( -1.785 -3.092 0.000) 3.571 8.480 ( 0.613 1.061 0.000) 1.226 8.575 ( -0.930 -1.611 0.000) 1.861 9.249 ( -0.579 -1.003 0.000) 1.158 9.717 ( -10.854 -18.800 0.000) 21.708 10.347 ( 1.865 3.230 0.000) 3.730 10.392 ( 3.772 6.533 0.000) 7.544 10.981 ( 9.522 16.493 0.000) 19.044 11.059 ( 1.469 2.544 0.000) 2.938 11.450 ( 0.643 1.114 0.000) 1.286 11.501 ( 1.554 2.692 0.000) 3.108 12.125 ( -2.350 -4.071 0.000) 4.701 12.337 ( 8.701 15.071 0.000) 17.403 12.496 ( 0.651 1.127 0.000) 1.302 13.734 ( 7.071 12.247 0.000) 14.141 14.250 ( -10.589 -18.341 0.000) 21.178 14.348 ( 3.423 5.928 0.000) 6.845 14.694 ( -4.983 -8.631 0.000) 9.966 15.201 ( 5.637 9.763 0.000) 11.273 15.503 ( 2.777 4.810 0.000) 5.554 15.773 ( 1.282 2.221 0.000) 2.564 16.033 ( -3.862 -6.689 0.000) 7.724 16.943 ( -9.325 -16.151 0.000) 18.649 17.612 ( 3.257 5.642 0.000) 6.514 17.725 ( -2.298 -3.980 0.000) 4.596 17.972 ( -2.133 -3.695 0.000) 4.267 18.615 ( 0.345 0.598 0.000) 0.691 18.687 ( 0.751 1.300 0.000) 1.501 18.914 ( -5.014 -8.685 0.000) 10.029 19.564 ( -4.720 -8.176 0.000) 9.441 20.087 ( 1.884 3.263 0.000) 3.768 20.143 ( -0.152 -0.263 0.000) 0.304 20.757 ( -0.218 -0.378 0.000) 0.437 20.794 ( 0.876 1.517 0.000) 1.752 20.897 ( -1.025 -1.775 0.000) 2.050 20.937 ( 3.399 5.888 0.000) 6.799 21.020 ( -0.430 -0.744 0.000) 0.859 21.301 ( -0.449 -0.778 0.000) 0.898 21.356 ( 1.387 2.403 0.000) 2.774 21.490 ( -4.647 -8.049 0.000) 9.295 21.756 ( 0.794 1.375 0.000) 1.588 21.803 ( 1.816 3.146 0.000) 3.632 21.842 ( 1.688 2.923 0.000) 3.375 21.924 ( 1.825 3.161 0.000) 3.650 21.982 ( -1.552 -2.689 0.000) 3.105 22.037 ( -2.608 -4.518 0.000) 5.217 22.075 ( -2.160 -3.741 0.000) 4.320 22.198 ( -0.380 -0.658 0.000) 0.760 22.208 ( -0.413 -0.716 0.000) 0.826 22.290 ( -2.205 -3.819 0.000) 4.410 22.604 ( -3.554 -6.155 0.000) 7.108 23.795 ( 7.961 13.789 0.000) 15.922 24.394 ( -2.890 -5.006 0.000) 5.780 24.726 ( 1.296 2.245 0.000) 2.592 25.020 ( 4.413 7.644 0.000) 8.826 25.087 ( 2.162 3.745 0.000) 4.325 27.650 ( 3.118 5.401 0.000) 6.236 27.768 ( 3.537 6.127 0.000) 7.074 28.379 ( -9.654 -16.721 0.000) 19.308 28.567 ( -1.341 -2.322 0.000) 2.681 ======================= Grid point 38 (16/64) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.044 ( 0.393 -0.681 0.000) 0.787 3.750 ( -1.113 1.928 0.000) 2.226 3.755 ( -0.421 0.730 0.000) 0.843 3.778 ( 0.337 -0.584 0.000) 0.674 3.939 ( -1.582 2.740 0.000) 3.164 4.049 ( 0.810 -1.403 0.000) 1.620 4.063 ( 1.689 -2.926 0.000) 3.379 4.884 ( -2.981 5.163 0.000) 5.962 5.020 ( -0.020 0.034 0.000) 0.040 5.238 ( -15.791 27.351 0.000) 31.582 5.554 ( -6.308 10.926 0.000) 12.616 5.695 ( 5.597 -9.694 0.000) 11.193 5.834 ( 6.202 -10.742 0.000) 12.404 6.517 ( -5.293 9.168 0.000) 10.586 7.356 ( -5.028 8.709 0.000) 10.056 7.407 ( -2.975 5.153 0.000) 5.950 7.421 ( -2.260 3.914 0.000) 4.519 7.686 ( 9.075 -15.719 0.000) 18.151 8.254 ( -4.317 7.477 0.000) 8.634 8.555 ( 0.870 -1.507 0.000) 1.740 8.557 ( 3.521 -6.099 0.000) 7.042 9.236 ( -0.046 0.079 0.000) 0.092 9.500 ( 4.826 -8.358 0.000) 9.651 10.368 ( -3.807 6.595 0.000) 7.615 10.476 ( 1.605 -2.779 0.000) 3.209 11.037 ( -9.169 15.882 0.000) 18.338 11.151 ( -7.193 12.458 0.000) 14.386 11.431 ( -3.289 5.697 0.000) 6.578 11.634 ( -2.140 3.707 0.000) 4.281 12.050 ( 11.000 -19.053 0.000) 22.001 12.480 ( -1.024 1.774 0.000) 2.048 12.603 ( 4.577 -7.927 0.000) 9.153 13.884 ( 8.310 -14.393 0.000) 16.619 13.889 ( -1.511 2.617 0.000) 3.022 14.485 ( -2.365 4.097 0.000) 4.731 14.552 ( 2.114 -3.662 0.000) 4.229 15.173 ( 2.996 -5.189 0.000) 5.991 15.624 ( -4.251 7.363 0.000) 8.502 15.829 ( 2.413 -4.179 0.000) 4.825 16.151 ( -11.739 20.333 0.000) 23.478 16.648 ( 6.212 -10.759 0.000) 12.424 17.649 ( -3.751 6.497 0.000) 7.502 17.743 ( 2.155 -3.733 0.000) 4.310 17.916 ( 0.299 -0.518 0.000) 0.598 18.618 ( -3.356 5.812 0.000) 6.711 18.694 ( -0.102 0.177 0.000) 0.204 18.829 ( 4.724 -8.183 0.000) 9.449 19.479 ( 3.217 -5.573 0.000) 6.435 20.128 ( -0.982 1.701 0.000) 1.964 20.130 ( -0.434 0.752 0.000) 0.868 20.742 ( -1.139 1.973 0.000) 2.278 20.828 ( 0.256 -0.443 0.000) 0.511 20.870 ( 1.415 -2.451 0.000) 2.830 20.972 ( -4.117 7.130 0.000) 8.233 21.092 ( 2.005 -3.472 0.000) 4.010 21.213 ( 2.484 -4.303 0.000) 4.969 21.377 ( -1.296 2.244 0.000) 2.591 21.429 ( 1.411 -2.443 0.000) 2.821 21.762 ( 0.116 -0.201 0.000) 0.233 21.856 ( -0.741 1.283 0.000) 1.481 21.858 ( -0.449 0.777 0.000) 0.897 21.917 ( 0.844 -1.463 0.000) 1.689 21.980 ( -1.035 1.793 0.000) 2.070 22.008 ( 0.756 -1.309 0.000) 1.512 22.045 ( 2.169 -3.756 0.000) 4.338 22.168 ( -2.285 3.958 0.000) 4.570 22.214 ( 0.214 -0.371 0.000) 0.429 22.264 ( 3.094 -5.359 0.000) 6.189 22.543 ( 1.638 -2.837 0.000) 3.276 23.982 ( -7.923 13.723 0.000) 15.846 24.290 ( 4.586 -7.944 0.000) 9.172 24.742 ( -1.949 3.376 0.000) 3.899 25.105 ( -1.640 2.840 0.000) 3.279 25.122 ( -1.159 2.007 0.000) 2.318 27.682 ( -5.093 8.821 0.000) 10.186 27.940 ( 0.955 -1.655 0.000) 1.911 28.114 ( 4.854 -8.407 0.000) 9.708 28.551 ( 2.720 -4.711 0.000) 5.439 ======================= Grid point 133 (17/64) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 0.000 -0.000 46.996) 46.996 0.909 ( -0.000 0.000 46.996) 46.996 1.750 ( 0.000 0.000 91.268) 91.268 3.049 ( -0.000 0.000 -7.023) 7.023 3.049 ( 0.000 0.000 -7.023) 7.023 3.852 ( -0.000 -0.000 11.916) 11.916 3.877 ( 0.000 0.000 1.731) 1.731 3.877 ( 0.000 0.000 1.731) 1.731 3.970 ( 0.000 0.000 -0.398) 0.398 3.970 ( -0.000 0.000 -0.398) 0.398 4.311 ( 0.000 0.000 1.833) 1.833 4.709 ( -0.000 -0.000 -1.187) 1.187 4.715 ( -0.000 0.000 6.761) 6.761 4.715 ( 0.000 0.000 6.761) 6.761 5.186 ( -0.000 -0.000 -9.976) 9.976 5.809 ( 0.000 0.000 -13.671) 13.671 5.809 ( 0.000 0.000 -13.671) 13.671 6.561 ( 0.000 0.000 -15.280) 15.280 8.467 ( 0.000 -0.000 0.551) 0.551 8.467 ( 0.000 0.000 0.551) 0.551 8.803 ( -0.000 0.000 -1.985) 1.985 8.803 ( 0.000 0.000 -1.985) 1.985 9.974 ( -0.000 0.000 7.226) 7.226 9.974 ( -0.000 -0.000 7.226) 7.226 10.321 ( 0.000 0.000 -21.707) 21.707 10.391 ( -0.000 -0.000 -11.972) 11.972 11.084 ( -0.000 0.000 -8.256) 8.256 11.084 ( -0.000 0.000 -8.256) 8.256 11.495 ( 0.000 -0.000 2.110) 2.110 11.721 ( 0.000 0.000 -1.576) 1.576 12.087 ( 0.000 -0.000 12.690) 12.690 12.087 ( -0.000 -0.000 12.690) 12.690 12.232 ( 0.000 -0.000 7.294) 7.294 12.517 ( -0.000 -0.000 5.804) 5.804 13.382 ( -0.000 -0.000 -9.192) 9.192 13.382 ( -0.000 0.000 -9.192) 9.192 15.775 ( -0.000 0.000 26.355) 26.355 16.708 ( 0.000 0.000 1.914) 1.914 16.708 ( -0.000 0.000 1.914) 1.914 17.368 ( 0.000 -0.000 -9.902) 9.902 17.368 ( 0.000 0.000 -9.902) 9.902 18.208 ( 0.000 0.000 9.644) 9.644 18.208 ( 0.000 0.000 9.644) 9.644 18.551 ( 0.000 -0.000 -21.349) 21.349 18.674 ( -0.000 0.000 3.664) 3.664 18.674 ( 0.000 -0.000 3.664) 3.664 19.706 ( 0.000 -0.000 5.262) 5.262 19.706 ( 0.000 0.000 5.262) 5.262 20.394 ( 0.000 0.000 0.630) 0.630 20.394 ( -0.000 0.000 0.630) 0.630 20.555 ( 0.000 0.000 0.469) 0.469 20.613 ( -0.000 0.000 -0.464) 0.464 21.020 ( 0.000 0.000 -4.241) 4.241 21.020 ( 0.000 0.000 -4.241) 4.241 21.135 ( 0.000 -0.000 -10.287) 10.287 21.135 ( -0.000 0.000 -10.287) 10.287 21.352 ( 0.000 0.000 3.057) 3.057 21.556 ( 0.000 0.000 7.515) 7.515 21.906 ( 0.000 0.000 0.648) 0.648 21.906 ( -0.000 0.000 0.648) 0.648 21.935 ( 0.000 -0.000 0.008) 0.008 21.935 ( -0.000 0.000 0.008) 0.008 22.338 ( 0.000 -0.000 3.848) 3.848 22.338 ( -0.000 0.000 3.848) 3.848 22.388 ( -0.000 0.000 -18.856) 18.856 22.653 ( 0.000 0.000 -6.799) 6.799 22.835 ( 0.000 -0.000 -7.434) 7.434 22.835 ( 0.000 0.000 -7.434) 7.434 23.266 ( 0.000 -0.000 11.040) 11.040 23.266 ( 0.000 0.000 11.040) 11.040 23.652 ( -0.000 0.000 24.755) 24.755 23.926 ( 0.000 -0.000 -3.272) 3.272 23.926 ( 0.000 -0.000 -3.272) 3.272 24.601 ( 0.000 -0.000 -0.737) 0.737 26.802 ( 0.000 0.000 3.469) 3.469 27.714 ( 0.000 0.000 -12.221) 12.221 28.941 ( 0.000 0.000 6.165) 6.165 29.315 ( 0.000 -0.000 -1.579) 1.579 ======================= Grid point 134 (18/64) ======================= q-point: ( 0.09 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 31.522 18.199 31.638) 48.227 1.521 ( 30.790 17.777 41.679) 54.783 2.298 ( 51.205 29.563 56.042) 81.465 3.154 ( 9.005 5.199 -6.708) 12.373 3.371 ( 24.012 13.863 -5.830) 28.333 3.841 ( 0.649 0.375 2.853) 2.950 3.939 ( 7.222 4.169 0.874) 8.384 3.964 ( -0.530 -0.306 -0.657) 0.898 3.984 ( 0.975 0.563 -1.489) 1.867 4.104 ( 17.695 10.216 8.824) 22.257 4.272 ( -2.787 -1.609 1.776) 3.676 4.416 ( -16.444 -9.494 5.242) 19.698 4.639 ( -1.285 -0.742 0.019) 1.483 4.908 ( 13.798 7.966 7.106) 17.445 5.525 ( 16.715 9.651 -7.308) 20.638 5.895 ( 11.397 6.580 -12.847) 18.391 5.901 ( 5.906 3.410 -18.030) 19.277 6.522 ( -1.562 -0.902 -8.501) 8.690 8.493 ( 2.155 1.244 0.023) 2.489 8.790 ( 19.599 11.316 -11.332) 25.310 8.798 ( -0.616 -0.355 -2.151) 2.266 8.950 ( 12.530 7.234 -3.010) 14.778 9.903 ( -11.461 -6.617 5.992) 14.528 9.968 ( -13.297 -7.677 7.403) 17.046 9.974 ( -0.081 -0.047 7.965) 7.966 10.443 ( 10.812 6.242 -16.695) 20.847 11.062 ( -2.194 -1.267 -7.690) 8.097 11.338 ( 8.356 4.824 -21.139) 23.237 11.606 ( 9.572 5.527 2.034) 11.239 11.817 ( 8.247 4.762 -0.940) 9.570 12.042 ( -12.226 -7.059 7.006) 15.760 12.065 ( -2.249 -1.298 8.840) 9.214 12.078 ( -0.056 -0.032 11.768) 11.768 12.551 ( 3.459 1.997 7.308) 8.329 13.401 ( 1.687 0.974 -10.107) 10.293 13.569 ( 13.340 7.702 -10.412) 18.593 15.682 ( -7.650 -4.417 26.787) 28.206 16.641 ( -5.311 -3.067 3.702) 7.164 16.701 ( -1.342 -0.775 3.500) 3.828 17.420 ( 3.803 2.195 -10.714) 11.579 17.476 ( 7.808 4.508 -10.495) 13.836 18.132 ( -6.632 -3.829 8.915) 11.752 18.150 ( -5.574 -3.218 8.132) 10.371 18.447 ( -5.871 -3.390 -13.590) 15.188 18.637 ( -3.562 -2.057 2.886) 5.025 18.759 ( 2.511 1.450 -5.252) 5.999 19.708 ( 0.270 0.156 5.324) 5.333 19.722 ( 1.218 0.703 2.575) 2.934 20.337 ( -5.795 -3.346 -1.203) 6.799 20.356 ( -3.203 -1.849 -0.159) 3.702 20.578 ( 1.856 1.072 0.510) 2.203 20.639 ( 2.079 1.201 -0.693) 2.499 20.946 ( -4.326 -2.498 -3.981) 6.387 20.981 ( -1.155 -0.667 -3.842) 4.067 21.156 ( 0.070 0.041 -5.524) 5.525 21.221 ( 5.606 3.237 -8.141) 10.401 21.236 ( -10.053 -5.804 14.132) 18.289 21.355 ( 0.458 0.265 1.796) 1.873 21.825 ( -6.682 -3.858 0.869) 7.764 21.872 ( -2.826 -1.632 0.593) 3.317 21.923 ( -1.552 -0.896 0.040) 1.793 22.053 ( -6.767 -3.907 -2.577) 8.228 22.232 ( 1.564 0.903 -0.280) 1.827 22.239 ( -7.120 -4.111 4.125) 9.198 22.423 ( -5.454 -3.149 -9.329) 11.256 22.504 ( -3.419 -1.974 -6.651) 7.735 22.796 ( -4.297 -2.481 -7.445) 8.948 22.980 ( 5.943 3.431 -3.501) 7.704 23.303 ( 3.347 1.932 10.331) 11.031 23.442 ( 9.706 5.604 4.690) 12.150 23.617 ( 2.370 1.368 14.916) 15.165 23.957 ( 2.357 1.361 -3.302) 4.279 23.962 ( 5.524 3.190 10.469) 12.259 24.658 ( 4.869 2.811 0.614) 5.656 26.891 ( 6.752 3.898 4.113) 8.815 27.710 ( -0.402 -0.232 -11.438) 11.447 28.884 ( -4.744 -2.739 5.609) 7.840 29.298 ( -2.323 -1.341 -6.527) 7.057 ======================= Grid point 135 (19/64) ======================= q-point: ( 0.18 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 32.250 18.619 20.239) 42.383 2.169 ( 29.645 17.116 30.952) 46.150 3.398 ( 11.117 6.419 -5.099) 13.813 3.583 ( 47.172 27.235 22.889) 59.083 3.773 ( 17.838 10.299 0.682) 20.608 3.867 ( 0.629 0.363 1.226) 1.426 3.923 ( -4.426 -2.555 -1.027) 5.213 3.993 ( 0.984 0.568 -1.278) 1.710 4.138 ( -3.362 -1.941 6.699) 7.742 4.176 ( -0.615 -0.355 0.284) 0.765 4.419 ( 24.204 13.974 1.525) 27.989 4.636 ( 26.928 15.547 4.344) 31.395 4.673 ( 10.115 5.840 -1.417) 11.765 5.346 ( 24.910 14.382 6.976) 29.597 5.711 ( 4.497 2.596 -5.261) 7.392 5.922 ( -4.999 -2.886 -26.276) 26.902 6.400 ( 28.970 16.726 -11.274) 35.300 6.618 ( 10.842 6.260 4.807) 13.411 8.553 ( 2.864 1.654 -1.426) 3.602 8.769 ( -1.835 -1.059 -1.662) 2.693 9.142 ( 10.238 5.911 -4.756) 12.742 9.253 ( 6.212 3.586 -3.428) 7.950 9.612 ( -2.252 -1.300 3.419) 4.295 9.877 ( -0.320 -0.185 -2.924) 2.947 9.964 ( -0.983 -0.568 9.029) 9.100 10.800 ( 20.891 12.061 -11.255) 26.619 10.971 ( -6.252 -3.610 -6.447) 9.679 11.369 ( -6.281 -3.626 -6.749) 9.907 11.832 ( -2.949 -1.702 -1.977) 3.937 11.859 ( 6.609 3.816 5.339) 9.313 11.985 ( 9.593 5.538 4.625) 12.004 11.987 ( -4.389 -2.534 -0.523) 5.094 12.241 ( 17.789 10.271 2.342) 20.675 12.690 ( 9.284 5.360 10.155) 14.767 13.464 ( 4.352 2.512 -12.461) 13.436 13.909 ( 16.452 9.499 -10.956) 21.930 15.480 ( -9.497 -5.483 27.489) 29.596 16.509 ( -5.962 -3.442 7.313) 10.044 16.644 ( -4.442 -2.565 8.434) 9.872 17.482 ( 0.001 0.001 -10.122) 10.122 17.569 ( -3.622 -2.091 -7.002) 8.156 17.932 ( -10.418 -6.015 6.011) 13.448 18.011 ( -3.599 -2.078 -0.705) 4.215 18.351 ( -2.815 -1.625 -7.897) 8.540 18.505 ( -8.325 -4.806 0.704) 9.638 18.708 ( -7.246 -4.183 -8.520) 11.941 19.723 ( 1.149 0.663 5.018) 5.191 19.747 ( 0.456 0.263 -2.066) 2.132 20.126 ( -11.848 -6.841 -4.314) 14.345 20.263 ( -4.900 -2.829 -1.684) 5.904 20.615 ( 1.072 0.619 0.441) 1.314 20.706 ( 4.132 2.386 -0.767) 4.833 20.887 ( -0.989 -0.571 -0.037) 1.143 21.009 ( 3.587 2.071 -0.264) 4.150 21.043 ( -6.381 -3.684 6.473) 9.808 21.213 ( 3.131 1.808 0.356) 3.633 21.351 ( 5.984 3.455 -6.015) 9.161 21.373 ( 0.351 0.203 -1.581) 1.632 21.640 ( -9.072 -5.238 2.619) 10.798 21.758 ( -7.788 -4.496 2.182) 9.254 21.874 ( -2.078 -1.200 -0.440) 2.439 21.919 ( -2.699 -1.558 0.281) 3.129 22.100 ( -4.574 -2.641 2.924) 6.037 22.216 ( -3.008 -1.737 -1.864) 3.942 22.294 ( -3.754 -2.167 1.524) 4.595 22.444 ( -3.444 -1.989 -5.049) 6.427 22.645 ( -8.570 -4.948 -6.088) 11.619 23.051 ( 0.233 0.134 -1.064) 1.097 23.394 ( 4.159 2.401 7.943) 9.282 23.470 ( -0.674 -0.389 13.858) 13.880 23.893 ( 12.294 7.098 1.849) 14.315 24.007 ( 1.636 0.944 -3.422) 3.909 24.157 ( 12.530 7.234 2.325) 14.654 24.796 ( 6.979 4.029 2.880) 8.558 27.082 ( 10.104 5.833 4.866) 12.641 27.693 ( -1.027 -0.593 -8.927) 9.006 28.754 ( -6.342 -3.662 4.113) 8.399 29.214 ( -4.873 -2.813 -8.013) 9.791 ======================= Grid point 136 (20/64) ======================= q-point: ( 0.27 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.713 ( 23.611 13.632 15.108) 31.170 2.833 ( 29.095 16.798 13.492) 36.204 3.576 ( 4.676 2.700 -1.840) 5.705 3.738 ( -7.014 -4.050 4.846) 9.439 3.804 ( 1.794 1.036 -1.598) 2.616 3.904 ( 0.314 0.181 0.742) 0.826 4.011 ( 1.828 1.056 0.088) 2.113 4.144 ( 0.211 0.122 2.443) 2.455 4.289 ( 13.692 7.905 0.442) 15.817 4.375 ( 3.393 1.959 0.329) 3.932 5.041 ( 41.382 23.892 17.969) 51.050 5.186 ( 18.477 10.668 -7.810) 22.720 5.231 ( 22.540 13.014 -8.501) 27.380 5.790 ( 0.096 0.055 -15.408) 15.409 5.892 ( 15.032 8.679 5.490) 18.205 5.998 ( 31.639 18.267 3.243) 36.677 6.925 ( 15.376 8.877 6.106) 18.775 7.038 ( 26.553 15.330 -12.352) 33.055 8.584 ( -0.818 -0.472 -1.450) 1.731 8.756 ( 1.937 1.119 -0.744) 2.357 9.056 ( -13.741 -7.933 4.368) 16.457 9.199 ( -5.331 -3.078 1.840) 6.425 9.866 ( 13.478 7.782 -9.453) 18.209 9.924 ( -2.562 -1.479 8.753) 9.239 9.986 ( 9.683 5.590 -6.530) 12.948 10.779 ( -10.997 -6.349 -4.961) 13.633 11.031 ( -14.254 -8.230 4.236) 16.996 11.380 ( 20.326 11.735 -7.096) 24.520 11.823 ( -4.490 -2.592 9.541) 10.859 11.899 ( 1.966 1.135 -9.108) 9.387 12.005 ( 15.351 8.863 -5.188) 18.470 12.361 ( 18.272 10.549 1.339) 21.141 12.759 ( 27.145 15.672 0.209) 31.346 12.971 ( 16.232 9.372 10.324) 21.398 13.618 ( 10.113 5.839 -14.519) 18.633 14.261 ( 14.288 8.249 -9.611) 19.094 15.297 ( -6.354 -3.668 24.672) 25.740 16.389 ( -4.686 -2.705 10.687) 11.978 16.435 ( -16.025 -9.252 10.137) 21.098 17.301 ( -17.977 -10.379 -1.621) 20.821 17.322 ( -15.138 -8.740 -1.003) 17.508 17.737 ( -7.085 -4.091 -3.118) 8.756 17.983 ( -1.937 -1.118 -8.518) 8.807 18.292 ( -9.514 -5.493 -2.709) 11.315 18.292 ( -4.711 -2.720 -2.744) 6.092 18.498 ( -7.513 -4.338 -13.439) 15.996 19.686 ( -6.306 -3.641 -2.822) 7.809 19.759 ( 2.027 1.170 3.737) 4.409 19.932 ( -4.023 -2.323 -5.776) 7.412 20.148 ( -5.201 -3.003 -2.434) 6.479 20.632 ( 0.634 0.366 1.450) 1.624 20.819 ( 5.810 3.355 -0.950) 6.776 20.834 ( -4.043 -2.334 3.370) 5.757 20.986 ( 1.766 1.019 2.273) 3.054 21.111 ( 4.673 2.698 2.413) 5.911 21.292 ( -5.790 -3.343 0.480) 6.703 21.320 ( 3.588 2.072 -1.156) 4.302 21.482 ( 5.262 3.038 -3.734) 7.132 21.514 ( -0.605 -0.349 3.306) 3.379 21.568 ( -7.732 -4.464 3.789) 9.698 21.841 ( -0.895 -0.517 -1.469) 1.797 21.916 ( 0.485 0.280 -4.623) 4.656 22.026 ( -2.488 -1.437 1.452) 3.219 22.156 ( -1.667 -0.962 2.972) 3.541 22.236 ( -1.649 -0.952 3.971) 4.404 22.369 ( -2.680 -1.548 0.786) 3.193 22.445 ( -8.886 -5.130 -4.401) 11.164 22.991 ( -5.189 -2.996 3.773) 7.081 23.471 ( 2.687 1.551 5.698) 6.488 23.481 ( 1.440 0.831 8.597) 8.756 24.017 ( -0.826 -0.477 -3.576) 3.701 24.037 ( 2.033 1.174 5.507) 5.986 24.488 ( 15.012 8.667 -7.574) 18.916 24.945 ( 5.976 3.450 2.974) 7.514 27.311 ( 9.259 5.346 4.394) 11.559 27.687 ( 1.569 0.906 -4.985) 5.304 28.619 ( -5.832 -3.367 2.028) 7.033 29.097 ( -5.290 -3.054 -7.822) 9.925 ======================= Grid point 137 (21/64) ======================= q-point: ( 0.36 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.092 ( 10.166 5.870 12.668) 17.271 3.398 ( 19.664 11.353 0.813) 22.721 3.598 ( -2.378 -1.373 1.104) 2.960 3.690 ( 3.234 1.867 4.180) 5.605 3.815 ( -0.500 -0.289 -3.162) 3.214 3.912 ( 0.695 0.401 1.856) 2.021 4.076 ( 3.690 2.131 1.951) 4.687 4.208 ( 6.861 3.961 2.095) 8.194 4.357 ( -1.817 -1.049 -1.287) 2.462 4.619 ( 13.900 8.025 -1.242) 16.098 5.252 ( -10.442 -6.029 -20.184) 23.511 5.403 ( 3.620 2.090 -12.117) 12.818 5.832 ( 22.338 12.897 12.457) 28.644 6.082 ( 20.762 11.987 7.030) 24.984 6.391 ( 26.193 15.123 7.886) 31.256 6.718 ( 29.927 17.278 0.418) 34.559 7.272 ( 14.817 8.555 6.211) 18.202 7.487 ( 11.546 6.666 -13.302) 18.834 8.565 ( 0.945 0.546 3.366) 3.539 8.771 ( -10.578 -6.107 1.912) 12.364 8.849 ( 5.557 3.208 -1.942) 6.704 9.028 ( -8.206 -4.738 4.582) 10.526 9.867 ( -1.821 -1.051 6.319) 6.660 9.993 ( 0.076 0.044 -8.650) 8.650 10.247 ( 8.912 5.145 -7.198) 12.558 10.491 ( -14.438 -8.336 -3.616) 17.060 10.695 ( -11.740 -6.778 8.180) 15.833 11.551 ( -3.150 -1.819 -11.043) 11.627 11.719 ( -4.448 -2.568 10.066) 11.300 12.229 ( 23.035 13.299 -3.436) 26.819 12.525 ( 28.150 16.252 -3.687) 32.713 12.686 ( 10.108 5.836 -2.364) 11.909 13.393 ( 28.334 16.359 -0.216) 32.718 13.428 ( 25.107 14.496 6.606) 29.735 13.922 ( 16.193 9.349 -13.459) 23.038 14.526 ( 10.168 5.870 -3.275) 12.189 15.193 ( -4.663 -2.692 15.094) 16.026 15.942 ( -25.342 -14.631 6.648) 30.008 16.298 ( -3.622 -2.091 12.719) 13.389 16.767 ( -30.710 -17.730 -0.352) 35.463 16.893 ( -21.122 -12.195 3.519) 24.642 17.529 ( -11.888 -6.863 -3.926) 14.277 17.893 ( -5.022 -2.899 -10.287) 11.808 18.148 ( -3.052 -1.762 -7.552) 8.334 18.154 ( -3.968 -2.291 -0.460) 4.605 18.455 ( 0.578 0.333 -13.348) 13.365 19.551 ( -4.596 -2.654 0.212) 5.312 19.808 ( 2.290 1.322 1.893) 3.252 19.881 ( -1.818 -1.050 -5.445) 5.835 20.041 ( -4.299 -2.482 -2.139) 5.405 20.647 ( 0.686 0.396 3.116) 3.216 20.774 ( -1.070 -0.618 1.661) 2.070 20.950 ( 5.539 3.198 -2.017) 6.706 21.035 ( -0.047 -0.027 -0.354) 0.359 21.138 ( -3.197 -1.846 3.243) 4.914 21.181 ( 1.339 0.773 2.999) 3.374 21.407 ( -5.136 -2.965 5.354) 7.990 21.434 ( 4.187 2.417 -1.783) 5.153 21.561 ( 4.078 2.354 0.675) 4.756 21.623 ( 5.834 3.368 -2.981) 7.366 21.838 ( 0.698 0.403 -1.458) 1.666 21.882 ( -3.071 -1.773 -7.345) 8.156 21.981 ( -1.633 -0.943 0.726) 2.021 22.122 ( -2.486 -1.435 5.878) 6.541 22.232 ( 0.658 0.380 4.984) 5.042 22.265 ( -7.088 -4.092 -2.559) 8.576 22.358 ( 2.690 1.553 6.046) 6.797 22.844 ( -7.492 -4.325 6.412) 10.768 23.518 ( 1.705 0.984 3.820) 4.297 23.521 ( 2.000 1.154 4.513) 5.069 23.974 ( -2.766 -1.597 -3.636) 4.839 24.024 ( -2.533 -1.462 7.029) 7.614 24.773 ( 10.197 5.888 -9.409) 15.072 25.047 ( 3.056 1.764 0.626) 3.583 27.437 ( 2.205 1.273 3.594) 4.404 27.817 ( 9.864 5.695 -1.313) 11.466 28.481 ( -6.944 -4.009 0.275) 8.023 28.995 ( -3.583 -2.069 -7.307) 8.398 ======================= Grid point 138 (22/64) ======================= q-point: ( 0.45 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 1.661 0.959 12.258) 12.407 3.561 ( -0.807 -0.466 1.311) 1.608 3.665 ( 5.423 3.131 -2.952) 6.923 3.762 ( 1.934 1.117 2.493) 3.347 3.792 ( -1.263 -0.729 -3.626) 3.908 3.936 ( 1.062 0.613 3.180) 3.408 4.143 ( 2.014 1.163 3.421) 4.136 4.281 ( -1.535 -0.886 0.198) 1.784 4.536 ( 17.528 10.120 -6.619) 21.295 4.846 ( 5.656 3.266 -0.874) 6.590 4.941 ( -16.458 -9.502 -15.277) 24.383 5.437 ( 0.373 0.216 -10.047) 10.056 6.098 ( 4.625 2.670 7.792) 9.447 6.468 ( 10.077 5.818 7.923) 14.077 6.904 ( 16.535 9.547 2.145) 19.213 7.245 ( 17.454 10.077 4.564) 20.664 7.469 ( -0.486 -0.281 10.108) 10.124 7.533 ( -4.426 -2.555 -9.335) 10.642 8.630 ( 2.967 1.713 5.291) 6.304 8.668 ( 2.960 1.709 -4.589) 5.721 8.846 ( -8.812 -5.088 0.575) 10.191 8.964 ( 3.515 2.029 -1.666) 4.388 9.891 ( 4.619 2.667 1.927) 5.672 10.000 ( 2.873 1.659 1.238) 3.541 10.172 ( -12.694 -7.329 -2.091) 14.806 10.198 ( -9.198 -5.310 1.361) 10.707 10.652 ( 3.551 2.050 -1.763) 4.464 11.458 ( -3.180 -1.836 -14.219) 14.686 11.644 ( -1.872 -1.081 10.618) 10.835 12.621 ( 9.639 5.565 4.053) 11.845 12.821 ( 2.662 1.537 -5.788) 6.554 13.078 ( 16.336 9.431 -1.628) 18.933 13.911 ( 14.771 8.528 -0.767) 17.073 14.043 ( 28.253 16.312 6.562) 33.277 14.230 ( 8.602 4.967 -11.535) 15.223 14.669 ( -11.075 -6.394 -4.289) 13.488 15.033 ( 3.732 2.154 9.820) 10.724 15.546 ( -8.886 -5.131 -5.839) 11.806 16.039 ( -27.955 -16.140 7.712) 33.189 16.237 ( -1.278 -0.738 13.824) 13.903 16.488 ( -12.332 -7.120 3.774) 14.732 17.296 ( -6.608 -3.815 -1.829) 7.847 17.812 ( -1.904 -1.099 -10.924) 11.143 18.121 ( -0.234 -0.135 -9.848) 9.851 18.122 ( -0.071 -0.041 0.389) 0.397 18.464 ( 0.090 0.052 -12.796) 12.796 19.488 ( -1.280 -0.739 2.389) 2.809 19.846 ( -0.988 -0.570 -3.299) 3.490 19.855 ( 1.688 0.975 0.292) 1.971 19.964 ( -2.373 -1.370 -1.383) 3.070 20.659 ( 0.341 0.197 4.430) 4.447 20.771 ( 0.306 0.177 0.027) 0.355 20.970 ( -2.473 -1.428 -0.198) 2.862 21.036 ( 1.641 0.948 -3.158) 3.683 21.164 ( 1.836 1.060 3.428) 4.030 21.213 ( 2.752 1.589 2.763) 4.211 21.308 ( -4.159 -2.401 4.907) 6.866 21.491 ( 1.136 0.656 -5.667) 5.816 21.661 ( 3.546 2.047 -1.215) 4.271 21.730 ( 2.981 1.721 -2.054) 4.008 21.818 ( -2.036 -1.175 -5.561) 6.037 21.867 ( 1.264 0.730 -0.808) 1.668 21.956 ( -0.426 -0.246 0.667) 0.829 22.059 ( -2.236 -1.291 9.875) 10.207 22.139 ( -3.717 -2.146 -1.080) 4.426 22.233 ( -0.191 -0.110 2.603) 2.612 22.469 ( 5.530 3.193 8.181) 10.378 22.682 ( -6.299 -3.637 7.142) 10.194 23.549 ( 0.923 0.533 2.545) 2.760 23.561 ( 1.226 0.708 2.627) 2.984 23.915 ( -1.809 -1.045 -3.586) 4.150 23.962 ( -2.128 -1.229 8.535) 8.881 24.934 ( 4.085 2.359 -9.028) 10.186 25.082 ( 0.304 0.175 -1.632) 1.670 27.457 ( 0.261 0.151 4.129) 4.140 28.064 ( 11.331 6.542 -0.430) 13.091 28.299 ( -9.504 -5.487 -0.619) 10.992 28.943 ( -1.111 -0.641 -6.947) 7.064 ======================= Grid point 145 (23/64) ======================= q-point: ( 0.09 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 21.973 38.059 21.756) 49.037 1.983 ( 16.524 28.621 34.765) 47.967 3.185 ( 27.625 47.847 27.859) 61.876 3.378 ( 12.928 22.392 -1.651) 25.909 3.665 ( 5.563 9.635 -2.304) 11.361 3.879 ( 2.162 3.745 0.951) 4.428 3.951 ( -0.699 -1.211 -1.253) 1.878 3.995 ( 0.625 1.083 -1.151) 1.700 4.126 ( -0.929 -1.609 2.472) 3.093 4.177 ( -0.882 -1.527 1.841) 2.549 4.320 ( 9.597 16.623 2.382) 19.342 4.474 ( 15.164 26.265 5.717) 30.863 4.632 ( 0.802 1.390 0.180) 1.615 5.188 ( 12.077 20.917 7.858) 25.399 5.769 ( 4.679 8.105 -13.427) 16.367 5.975 ( 5.171 8.956 -11.710) 15.623 6.095 ( 5.273 9.133 -17.664) 20.573 6.600 ( 7.732 13.392 1.621) 15.548 8.550 ( 2.323 4.024 -0.137) 4.648 8.761 ( -1.236 -2.141 -3.074) 3.945 9.113 ( 8.840 15.312 -9.000) 19.840 9.156 ( 7.627 13.210 -3.420) 15.633 9.660 ( -6.952 -12.041 7.878) 15.981 9.841 ( -2.791 -4.833 0.022) 5.581 10.021 ( 1.833 3.174 8.028) 8.825 10.657 ( 9.061 15.694 -13.081) 22.349 11.048 ( -0.732 -1.268 -7.009) 7.160 11.352 ( -2.501 -4.332 -12.288) 13.267 11.803 ( 7.820 13.545 2.172) 15.791 11.834 ( -5.645 -9.777 3.926) 11.953 11.956 ( 1.150 1.991 4.349) 4.919 12.022 ( -1.427 -2.471 1.994) 3.481 12.160 ( 8.267 14.318 4.141) 17.044 12.637 ( 4.341 7.518 8.922) 12.449 13.450 ( 2.490 4.313 -10.914) 11.997 13.808 ( 9.130 15.814 -11.394) 21.523 15.535 ( -5.688 -9.852 27.487) 29.748 16.566 ( -2.799 -4.849 6.080) 8.265 16.646 ( -2.328 -4.032 7.471) 8.803 17.488 ( 1.236 2.141 -12.492) 12.735 17.554 ( 0.411 0.712 -7.148) 7.196 17.954 ( -6.959 -12.053 6.390) 15.315 18.097 ( -1.273 -2.205 4.221) 4.929 18.346 ( -3.474 -6.017 -10.103) 12.261 18.558 ( -3.755 -6.503 1.706) 7.701 18.751 ( -1.911 -3.310 -7.969) 8.838 19.706 ( -0.426 -0.738 5.137) 5.207 19.751 ( 1.253 2.171 -1.163) 2.763 20.179 ( -7.003 -12.130 -2.858) 14.295 20.309 ( -1.917 -3.320 -1.623) 4.163 20.616 ( 1.469 2.544 0.678) 3.014 20.674 ( 1.210 2.096 -1.340) 2.766 20.932 ( -0.963 -1.667 -0.700) 2.048 20.941 ( 0.669 1.159 -1.641) 2.117 21.098 ( -2.908 -5.037 9.875) 11.461 21.194 ( 0.566 0.980 -3.926) 4.086 21.323 ( 3.296 5.709 -4.755) 8.129 21.351 ( 0.249 0.430 -1.098) 1.206 21.682 ( -5.415 -9.379 2.940) 11.222 21.834 ( -2.216 -3.839 -2.044) 4.882 21.875 ( -1.650 -2.858 1.094) 3.477 21.958 ( -1.678 -2.907 3.462) 4.822 22.142 ( -3.061 -5.303 2.275) 6.532 22.230 ( -1.712 -2.965 -3.003) 4.554 22.363 ( -2.990 -5.179 -0.174) 5.983 22.376 ( -2.669 -4.623 -7.422) 9.143 22.816 ( -0.400 -0.693 -6.162) 6.214 22.969 ( -1.726 -2.989 -1.257) 3.673 23.216 ( -3.659 -6.337 9.438) 11.942 23.601 ( 0.377 0.654 18.022) 18.038 23.797 ( 11.688 20.243 -3.320) 23.610 24.010 ( 2.291 3.968 -5.658) 7.281 24.095 ( 6.005 10.401 8.440) 14.679 24.758 ( 3.941 6.825 2.390) 8.236 27.022 ( 5.331 9.234 4.823) 11.702 27.699 ( -0.573 -0.992 -9.741) 9.808 28.799 ( -3.227 -5.590 4.377) 7.799 29.232 ( -3.178 -5.505 -7.668) 9.960 ======================= Grid point 146 (24/64) ======================= q-point: ( 0.18 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.576 ( 21.547 26.566 17.265) 38.316 2.652 ( 18.284 33.285 17.094) 41.646 3.553 ( 5.035 8.227 -1.378) 9.743 3.737 ( 1.201 -1.981 1.324) 2.668 3.852 ( -6.409 -2.884 1.069) 7.108 3.943 ( -0.268 5.296 -0.532) 5.329 4.006 ( 0.048 2.645 1.527) 3.055 4.115 ( 8.405 3.726 0.536) 9.209 4.175 ( 4.108 2.908 3.567) 6.169 4.225 ( 22.398 15.041 8.634) 28.327 4.719 ( 13.992 18.504 7.760) 24.462 4.949 ( 25.540 21.110 -4.090) 33.387 5.109 ( 20.729 32.230 -0.333) 38.322 5.686 ( 21.310 21.384 8.186) 31.279 5.793 ( -1.399 -2.606 -20.496) 20.708 6.042 ( -6.144 22.442 -5.062) 23.812 6.483 ( 29.664 0.305 -3.688) 29.894 6.998 ( 13.758 24.948 -1.130) 28.513 8.613 ( -0.644 3.453 -0.807) 3.604 8.714 ( 0.448 -4.232 -1.224) 4.428 9.151 ( -7.311 -9.801 4.313) 12.966 9.300 ( -4.625 4.751 -2.153) 6.971 9.712 ( 13.254 9.859 -6.436) 17.728 9.835 ( 6.299 0.879 -2.427) 6.807 10.078 ( -2.778 9.533 6.469) 11.851 10.948 ( -8.738 1.176 -5.823) 10.567 11.045 ( 13.506 11.031 -7.684) 19.056 11.182 ( -2.789 -13.413 -0.777) 13.722 11.741 ( 6.084 -6.176 -0.370) 8.677 11.892 ( -1.763 -2.253 -3.775) 4.737 11.929 ( -2.322 -0.818 3.465) 4.251 12.191 ( 13.813 12.728 2.846) 18.997 12.610 ( 18.383 27.152 -0.247) 32.791 12.861 ( 10.759 13.322 8.699) 19.207 13.580 ( 5.596 10.149 -11.894) 16.606 14.137 ( 12.250 13.480 -12.775) 22.248 15.343 ( -5.966 -8.113 27.234) 29.037 16.455 ( -5.726 -2.785 9.220) 11.205 16.525 ( -6.653 -10.197 10.222) 15.897 17.369 ( -11.926 -16.162 -0.127) 20.086 17.435 ( -5.494 -9.764 -8.360) 13.979 17.759 ( -4.376 -6.779 2.582) 8.472 18.083 ( -4.718 4.396 -7.504) 9.894 18.245 ( -0.339 -8.702 -7.680) 11.611 18.401 ( -6.225 -4.507 0.372) 7.694 18.627 ( -8.222 -3.479 -11.091) 14.238 19.639 ( -2.644 -10.035 2.554) 10.687 19.788 ( 0.304 2.218 -4.499) 5.025 19.975 ( -4.184 -4.849 -1.600) 6.602 20.221 ( -5.099 -2.585 -2.294) 6.160 20.650 ( -0.857 2.934 0.628) 3.121 20.733 ( 4.790 0.085 -1.143) 4.925 20.881 ( -2.570 -1.783 4.526) 5.502 21.003 ( 0.824 2.937 1.254) 3.298 21.055 ( 2.003 1.724 2.300) 3.503 21.213 ( 3.976 -2.981 0.485) 4.993 21.353 ( -2.760 -1.741 -2.238) 3.957 21.441 ( 4.358 5.038 -2.792) 7.223 21.515 ( -2.486 -4.196 3.051) 5.753 21.749 ( -9.125 2.397 0.828) 9.471 21.825 ( -0.437 -1.755 -1.343) 2.253 21.942 ( 0.510 1.329 2.583) 2.949 22.056 ( -3.126 -1.147 -0.579) 3.380 22.151 ( -0.804 -5.682 -4.083) 7.043 22.265 ( -4.092 -1.201 3.048) 5.242 22.325 ( 0.176 -5.186 1.138) 5.312 22.675 ( -14.924 2.798 -2.358) 15.366 22.918 ( 3.002 -12.325 3.039) 13.044 23.143 ( 7.599 -15.613 4.236) 17.873 23.584 ( -1.411 -0.206 15.815) 15.879 24.065 ( -0.169 7.894 -6.881) 10.473 24.148 ( 3.117 16.241 -3.085) 16.823 24.362 ( 12.355 12.656 1.266) 17.732 24.894 ( 4.755 5.474 3.639) 8.113 27.228 ( 8.115 8.849 4.690) 12.890 27.676 ( -0.414 -1.211 -6.430) 6.556 28.686 ( -4.990 -3.078 2.271) 6.288 29.101 ( -3.598 -8.823 -7.551) 12.158 ======================= Grid point 147 (25/64) ======================= q-point: ( 0.27 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.085 ( 6.450 19.346 12.307) 23.819 3.197 ( 19.813 18.783 5.771) 27.904 3.643 ( -0.369 3.352 -0.399) 3.396 3.705 ( -0.938 2.855 4.824) 5.684 3.798 ( 0.346 -0.890 -1.240) 1.565 3.979 ( -1.780 7.950 -0.201) 8.149 4.050 ( 1.908 3.560 1.571) 4.334 4.169 ( 1.792 3.243 3.601) 5.167 4.330 ( 2.525 -2.613 -0.706) 3.702 4.534 ( 12.309 14.870 -1.258) 19.344 5.247 ( 6.577 2.424 -12.706) 14.511 5.412 ( 17.132 10.457 -6.382) 21.062 5.618 ( 10.272 22.253 3.279) 24.728 5.850 ( 12.775 5.753 0.390) 14.016 6.230 ( 19.547 23.848 11.113) 32.777 6.460 ( 22.407 27.352 -1.102) 35.376 6.974 ( 25.823 3.912 -1.343) 26.152 7.448 ( 11.231 20.490 -5.800) 24.075 8.566 ( -3.134 -2.649 1.395) 4.335 8.712 ( 1.611 -6.077 0.921) 6.354 8.916 ( -5.834 -7.089 5.711) 10.812 9.163 ( -11.254 0.514 -0.203) 11.268 9.943 ( 3.361 3.984 -4.315) 6.766 10.017 ( 2.317 7.409 -5.166) 9.324 10.147 ( 3.731 10.822 -0.944) 11.486 10.695 ( -15.063 -5.295 -0.303) 15.969 10.859 ( -15.273 -4.966 3.844) 16.514 11.475 ( 12.939 -1.519 -6.786) 14.689 11.760 ( -1.836 -3.962 9.827) 10.753 11.945 ( 15.144 3.878 -10.806) 19.003 12.104 ( 25.597 2.188 -3.216) 25.891 12.518 ( 13.898 4.540 2.961) 14.917 13.220 ( 17.326 23.050 1.831) 28.894 13.244 ( 18.977 24.001 2.952) 30.739 13.869 ( 10.979 21.415 -12.556) 27.144 14.436 ( 9.634 9.406 -9.330) 16.381 15.205 ( -2.473 -5.656 21.824) 22.680 16.140 ( -19.364 -21.394 8.488) 30.079 16.345 ( -5.200 -3.401 10.798) 12.458 16.879 ( -19.275 -28.526 3.374) 34.593 17.199 ( -14.116 -6.082 -2.170) 15.523 17.616 ( -6.870 -6.123 -2.649) 9.576 17.969 ( -7.345 -4.008 -8.990) 12.281 18.093 ( -4.280 -10.245 -5.823) 12.537 18.339 ( -6.472 6.504 -3.685) 9.888 18.493 ( -3.942 1.877 -12.787) 13.512 19.478 ( -0.287 -14.230 1.631) 14.326 19.801 ( 0.436 -1.452 -4.982) 5.207 19.925 ( -2.516 2.604 -0.677) 3.684 20.114 ( -4.980 -0.783 -2.169) 5.488 20.660 ( -0.760 2.557 1.866) 3.255 20.787 ( 0.239 -0.642 1.456) 1.609 20.867 ( 4.095 0.397 1.519) 4.386 21.049 ( 0.067 2.199 -0.887) 2.372 21.102 ( 1.998 -1.397 2.435) 3.446 21.220 ( -3.452 -3.742 2.027) 5.480 21.294 ( 6.463 -0.977 2.322) 6.937 21.531 ( -0.238 3.017 -0.727) 3.113 21.566 ( 2.773 4.377 -2.378) 5.701 21.621 ( -6.161 6.468 1.972) 9.148 21.811 ( 0.781 -1.452 -2.560) 3.045 21.949 ( -3.336 1.527 -4.597) 5.881 22.018 ( -1.495 0.410 0.641) 1.678 22.116 ( 1.445 -2.935 2.353) 4.030 22.196 ( -2.103 -2.620 4.715) 5.789 22.285 ( -0.330 -2.591 3.958) 4.742 22.461 ( -10.287 0.178 0.551) 10.303 22.824 ( 0.382 -12.587 6.739) 14.283 23.126 ( 10.088 -19.903 3.046) 22.521 23.579 ( 2.568 -1.675 10.450) 10.891 24.091 ( -6.336 9.513 -7.253) 13.537 24.276 ( -6.243 16.760 0.315) 17.888 24.679 ( 10.533 10.480 -4.862) 15.634 25.010 ( 3.858 3.251 3.035) 5.887 27.417 ( 4.144 5.582 3.845) 7.944 27.708 ( 6.349 1.101 -2.559) 6.934 28.566 ( -6.952 -2.301 0.184) 7.325 28.964 ( -0.911 -10.618 -7.038) 12.771 ======================= Grid point 148 (26/64) ======================= q-point: ( 0.36 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.210 ( -0.356 2.998 12.997) 13.343 3.579 ( 8.473 7.032 -2.701) 11.337 3.642 ( -1.980 4.704 0.502) 5.128 3.766 ( 0.972 3.131 0.915) 3.404 3.800 ( -0.486 1.422 -0.512) 1.587 4.051 ( -3.718 15.693 1.829) 16.231 4.115 ( 2.109 1.611 2.837) 3.885 4.268 ( 0.736 -1.350 2.389) 2.841 4.380 ( 11.221 8.523 -3.872) 14.613 4.861 ( 5.897 16.710 -0.906) 17.743 5.101 ( -12.133 -7.987 -18.021) 23.147 5.550 ( -5.479 11.277 -11.441) 16.973 6.016 ( 9.206 5.912 7.544) 13.290 6.209 ( 22.999 3.366 8.775) 24.845 6.782 ( 16.810 21.218 6.780) 27.906 7.034 ( 19.383 14.285 0.322) 24.080 7.375 ( 13.918 5.222 2.970) 15.159 7.666 ( -3.894 9.508 -6.954) 12.407 8.498 ( 1.036 -9.060 4.736) 10.276 8.635 ( 1.898 -4.561 1.391) 5.132 8.859 ( 0.733 -6.365 3.746) 7.422 9.043 ( -5.262 7.721 -3.298) 9.908 9.973 ( -1.047 -2.173 -4.670) 5.256 10.027 ( -6.869 15.729 2.426) 17.334 10.214 ( -5.732 -5.537 -2.327) 8.302 10.499 ( -15.176 7.933 -1.936) 17.234 10.602 ( -1.707 -1.983 3.826) 4.635 11.479 ( -2.059 -4.620 -12.055) 13.073 11.683 ( -3.268 -1.144 10.299) 10.866 12.372 ( 22.206 1.256 -0.994) 22.263 12.636 ( 27.654 -0.658 -2.934) 27.817 12.765 ( 17.220 1.291 0.003) 17.268 13.659 ( 20.390 9.962 2.580) 22.840 13.840 ( 17.717 24.510 -1.494) 30.280 14.245 ( 4.875 18.111 -9.738) 21.133 14.669 ( 7.734 6.409 -8.326) 13.046 15.094 ( -6.177 -3.679 17.223) 18.663 15.631 ( -12.288 -14.271 1.140) 18.867 16.148 ( -13.971 -24.898 3.522) 28.767 16.307 ( -11.664 -11.035 13.144) 20.750 16.817 ( -24.945 -1.154 1.249) 25.002 17.425 ( -9.798 -2.012 -3.124) 10.479 17.836 ( -2.997 -3.301 -9.584) 10.570 17.983 ( 1.229 -7.843 -5.091) 9.431 18.294 ( -6.217 8.163 -5.382) 11.587 18.489 ( -1.486 2.912 -11.741) 12.188 19.379 ( 3.785 -12.791 2.837) 13.637 19.772 ( 1.761 -7.067 -4.222) 8.419 19.927 ( -2.399 6.125 0.207) 6.581 20.044 ( -4.375 2.002 -2.329) 5.346 20.674 ( -0.609 2.425 3.714) 4.477 20.783 ( -0.745 1.777 0.639) 2.030 20.948 ( 3.588 -2.931 -0.304) 4.643 20.996 ( -0.279 -3.001 0.366) 3.036 21.147 ( 2.685 0.071 1.255) 2.965 21.207 ( 0.313 3.675 1.821) 4.113 21.354 ( -1.470 -1.065 4.254) 4.625 21.476 ( -0.548 0.356 -3.959) 4.013 21.650 ( 1.598 5.753 -0.356) 5.982 21.703 ( 2.934 3.930 -1.974) 5.287 21.832 ( 1.173 1.316 -2.466) 3.031 21.893 ( -2.756 1.489 -2.953) 4.305 21.994 ( -2.369 1.200 0.458) 2.695 22.082 ( -2.559 -1.986 5.868) 6.703 22.137 ( -1.494 -5.500 2.462) 6.208 22.251 ( -1.330 -0.813 1.411) 2.103 22.404 ( 3.032 -0.202 7.058) 7.684 22.697 ( -2.108 -9.836 6.636) 12.051 23.098 ( 11.216 -22.040 6.997) 25.701 23.637 ( 5.678 -1.847 4.257) 7.333 24.044 ( -11.574 12.773 -5.505) 18.094 24.292 ( -10.305 16.805 0.894) 19.733 24.894 ( 5.315 6.534 -6.527) 10.655 25.079 ( 1.273 2.054 1.455) 2.820 27.470 ( -0.649 2.425 3.502) 4.309 27.908 ( 12.942 3.516 -0.378) 13.416 28.395 ( -9.088 -5.465 -1.134) 10.665 28.881 ( 2.446 -9.369 -6.570) 11.701 ======================= Grid point 149 (27/64) ======================= q-point: ( 0.45 0.09 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.213 ( 0.072 -0.124 12.986) 12.987 3.625 ( -2.778 4.812 0.210) 5.561 3.698 ( -0.179 0.311 -2.743) 2.766 3.774 ( 0.333 -0.576 -3.076) 3.147 3.809 ( -1.975 3.421 2.058) 4.454 4.107 ( -9.604 16.635 2.507) 19.372 4.144 ( 0.644 -1.116 3.500) 3.730 4.245 ( 0.847 -1.467 0.706) 1.835 4.707 ( -0.159 0.276 -8.334) 8.340 4.795 ( -1.208 2.091 -13.618) 13.830 5.005 ( -6.963 12.060 -0.519) 13.936 5.552 ( -5.914 10.243 -10.164) 15.595 6.104 ( 1.120 -1.939 6.710) 7.074 6.448 ( 3.737 -6.473 5.007) 8.997 7.059 ( -2.853 4.942 0.185) 5.710 7.385 ( -0.332 0.575 11.065) 11.085 7.409 ( -0.275 0.476 7.697) 7.717 7.624 ( -5.494 9.517 -9.117) 14.279 8.465 ( 7.139 -12.366 4.472) 14.963 8.690 ( 2.987 -5.174 1.045) 6.066 8.775 ( 0.006 -0.011 -2.873) 2.873 9.071 ( -3.397 5.884 -3.719) 7.746 9.945 ( 2.517 -4.359 4.392) 6.681 10.071 ( -1.409 2.440 -4.192) 5.051 10.122 ( -8.022 13.895 3.220) 16.364 10.302 ( -8.577 14.856 1.583) 17.227 10.655 ( 0.876 -1.516 -3.127) 3.584 11.427 ( 0.699 -1.211 -13.355) 13.428 11.648 ( -0.720 1.247 10.295) 10.395 12.557 ( 5.720 -9.907 2.280) 11.665 12.813 ( 2.538 -4.396 -1.345) 5.252 13.052 ( 6.494 -11.249 -1.512) 13.077 13.943 ( 1.750 -3.031 3.524) 4.967 14.225 ( 1.458 -2.525 -11.850) 12.203 14.408 ( -5.062 8.768 2.412) 10.407 14.450 ( 4.083 -7.072 0.303) 8.172 15.256 ( -8.267 14.318 -1.209) 16.578 15.448 ( 1.561 -2.703 -7.547) 8.167 15.732 ( 5.974 -10.346 12.714) 17.446 16.209 ( 1.389 -2.405 13.974) 14.247 16.545 ( -5.842 10.118 2.910) 12.041 17.320 ( -3.427 5.936 -2.528) 7.306 17.799 ( 0.165 -0.286 -11.383) 11.387 17.960 ( 4.623 -8.008 -4.043) 10.092 18.284 ( -4.801 8.315 -5.028) 10.838 18.488 ( -1.487 2.575 -11.705) 12.077 19.350 ( 6.590 -11.415 3.569) 13.655 19.750 ( 4.185 -7.248 -2.951) 8.875 19.944 ( -3.456 5.986 -0.693) 6.947 20.011 ( -2.371 4.106 -1.743) 5.052 20.682 ( -1.192 2.064 4.659) 5.233 20.788 ( -0.989 1.714 -0.108) 1.982 20.929 ( 1.398 -2.421 0.446) 2.831 21.011 ( 1.580 -2.737 -0.184) 3.166 21.208 ( -1.713 2.967 1.096) 3.597 21.209 ( 1.776 -3.077 -0.477) 3.585 21.302 ( -1.368 2.370 5.143) 5.826 21.495 ( 0.399 -0.692 -4.822) 4.887 21.706 ( -1.645 2.849 -1.432) 3.588 21.732 ( 0.456 -0.791 -2.985) 3.122 21.844 ( -1.783 3.089 -3.376) 4.911 21.910 ( -1.857 3.217 -0.562) 3.757 21.974 ( -0.480 0.832 1.772) 2.016 22.043 ( -0.371 0.642 8.477) 8.510 22.074 ( 2.089 -3.619 0.850) 4.264 22.238 ( 0.201 -0.348 1.025) 1.101 22.459 ( 3.109 -5.385 8.134) 10.238 22.608 ( 2.137 -3.702 5.982) 7.353 23.085 ( 12.667 -21.940 8.999) 26.885 23.689 ( 3.198 -5.540 1.276) 6.523 23.995 ( -10.434 18.073 -3.761) 21.205 24.283 ( -10.143 17.568 0.750) 20.299 24.973 ( -1.090 1.888 -6.887) 7.224 25.097 ( -0.995 1.723 0.804) 2.146 27.474 ( -1.079 1.869 3.815) 4.383 28.146 ( 2.135 -3.697 4.926) 6.519 28.181 ( 0.511 -0.885 -6.578) 6.657 28.858 ( 4.530 -7.847 -6.437) 11.115 ======================= Grid point 158 (28/64) ======================= q-point: ( 0.18 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.093 ( 15.041 26.052 5.601) 30.599 3.177 ( 8.676 15.027 14.139) 22.383 3.667 ( 2.094 3.627 0.603) 4.231 3.717 ( 1.112 1.927 1.879) 2.912 3.805 ( -0.325 -0.562 0.762) 1.001 4.018 ( 2.235 3.871 -1.060) 4.593 4.094 ( 1.911 3.310 0.814) 3.907 4.229 ( 5.404 9.359 5.778) 12.255 4.272 ( 2.063 3.572 -0.136) 4.127 4.436 ( 8.964 15.527 -1.116) 17.963 5.202 ( 16.680 28.891 7.182) 34.125 5.247 ( 3.572 6.187 -14.538) 16.198 5.710 ( 14.135 24.482 -4.285) 28.592 5.766 ( 1.410 2.442 -5.130) 5.854 6.167 ( 15.711 27.213 12.571) 33.844 6.582 ( 14.316 24.796 -7.244) 29.534 6.589 ( 11.107 19.238 0.296) 22.216 7.457 ( 12.593 21.812 -2.265) 25.288 8.599 ( -3.488 -6.042 -0.287) 6.982 8.654 ( -0.931 -1.613 2.306) 2.964 8.922 ( -6.907 -11.963 7.755) 15.842 9.296 ( -2.652 -4.593 -3.263) 6.227 9.906 ( 5.318 9.211 -9.382) 14.183 9.968 ( 6.106 10.576 -4.622) 13.058 10.277 ( 5.248 9.090 5.423) 11.815 10.837 ( -8.993 -15.577 5.683) 18.863 10.998 ( -0.075 -0.130 -4.530) 4.533 11.274 ( 5.875 10.175 -5.437) 12.946 11.649 ( -0.941 -1.630 4.097) 4.509 11.857 ( 0.822 1.424 -14.150) 14.245 11.942 ( 1.659 2.874 5.067) 6.057 12.406 ( 5.237 9.071 4.965) 11.591 13.188 ( 10.684 18.505 4.269) 21.789 13.215 ( 19.459 33.704 -0.992) 38.931 13.892 ( 13.337 23.101 -10.514) 28.672 14.396 ( 7.072 12.249 -14.786) 20.461 15.194 ( -3.802 -6.586 25.962) 27.052 16.195 ( -14.099 -24.419 8.860) 29.556 16.379 ( -3.621 -6.272 9.403) 11.868 16.905 ( -17.244 -29.867 4.700) 34.806 17.255 ( -3.946 -6.835 -4.695) 9.183 17.657 ( -3.360 -5.819 -0.236) 6.724 18.019 ( -6.184 -10.711 -6.867) 14.147 18.073 ( -4.063 -7.037 -9.335) 12.376 18.433 ( 3.487 6.040 -4.159) 8.121 18.561 ( -2.108 -3.651 -12.099) 12.813 19.393 ( -7.389 -12.799 3.219) 15.126 19.784 ( -1.795 -3.109 -8.038) 8.804 19.965 ( 1.146 1.985 1.312) 2.641 20.157 ( -1.926 -3.336 -1.768) 4.239 20.719 ( 1.512 2.620 1.225) 3.263 20.728 ( 0.865 1.497 -0.933) 1.965 20.851 ( -0.326 -0.565 4.938) 4.981 21.041 ( -0.853 -1.477 0.116) 1.710 21.126 ( 3.138 5.436 0.997) 6.356 21.155 ( -1.685 -2.919 1.151) 3.561 21.272 ( -1.107 -1.917 2.937) 3.677 21.537 ( 2.389 4.138 -2.179) 5.252 21.560 ( 3.606 6.246 -1.866) 7.450 21.755 ( -1.683 -2.914 -4.692) 5.774 21.817 ( -0.011 -0.020 2.022) 2.022 21.946 ( 0.107 0.186 3.766) 3.772 22.061 ( 0.127 0.220 -0.717) 0.761 22.062 ( -1.146 -1.986 -5.021) 5.520 22.235 ( -1.567 -2.714 3.150) 4.443 22.258 ( -0.924 -1.600 7.391) 7.618 22.603 ( -7.945 -13.761 1.330) 15.945 22.699 ( -3.827 -6.628 9.638) 12.307 22.908 ( -3.924 -6.796 0.165) 7.849 23.555 ( -0.266 -0.460 12.192) 12.204 24.187 ( 2.734 4.736 -12.753) 13.876 24.454 ( 6.402 11.089 -6.167) 14.212 24.618 ( 8.288 14.355 4.425) 17.156 24.995 ( 2.879 4.986 4.794) 7.492 27.408 ( 5.423 9.393 4.320) 11.675 27.655 ( -0.191 -0.331 -3.426) 3.447 28.634 ( -1.624 -2.813 -0.304) 3.263 28.893 ( -6.937 -12.014 -6.584) 15.356 ======================= Grid point 159 (29/64) ======================= q-point: ( 0.27 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.253 ( -2.034 0.028 14.038) 14.184 3.509 ( 10.102 12.713 -2.178) 16.383 3.706 ( -0.925 3.029 0.519) 3.209 3.753 ( 1.471 -0.321 -1.165) 1.903 3.850 ( 0.446 5.359 1.996) 5.736 4.106 ( 0.132 1.991 2.518) 3.213 4.145 ( 4.486 3.112 1.413) 5.640 4.296 ( 3.447 3.454 -4.262) 6.479 4.470 ( -3.564 29.909 4.741) 30.492 4.850 ( 17.850 15.778 -2.102) 23.916 5.195 ( -6.739 -5.024 -18.909) 20.694 5.705 ( 6.033 16.442 -6.452) 18.665 5.882 ( 13.269 5.567 9.396) 17.186 6.005 ( 4.776 10.043 0.480) 11.131 6.700 ( 17.743 24.278 13.077) 32.791 6.955 ( 10.776 21.496 -3.177) 24.255 7.143 ( 21.450 13.208 -5.904) 25.873 7.788 ( 3.832 13.907 -1.421) 14.495 8.458 ( -4.934 -7.990 3.568) 10.045 8.570 ( -2.168 -7.795 2.953) 8.613 8.762 ( 0.397 -7.597 8.069) 11.090 9.195 ( -5.629 0.701 -5.073) 7.610 9.974 ( -1.947 -2.747 -6.658) 7.461 10.166 ( 3.675 6.843 -5.788) 9.687 10.335 ( -3.290 2.878 3.179) 5.405 10.643 ( -8.194 10.082 5.313) 14.036 10.927 ( -14.304 8.579 -1.247) 16.726 11.398 ( 5.241 -4.454 -7.747) 10.360 11.672 ( 3.938 -4.554 10.103) 11.761 12.023 ( 15.927 3.758 -9.664) 19.005 12.158 ( 21.866 5.147 0.277) 22.465 12.553 ( 7.845 0.162 5.171) 9.397 13.521 ( 11.058 13.709 2.294) 17.761 13.832 ( 15.917 28.606 -2.618) 32.840 14.369 ( 5.534 23.205 -12.400) 26.886 14.572 ( 7.689 1.683 -11.208) 13.695 15.127 ( 0.456 1.651 22.506) 22.571 15.675 ( -14.036 -22.100 4.202) 26.516 16.140 ( -13.501 -23.802 1.862) 27.428 16.372 ( -11.359 -15.884 13.119) 23.525 17.109 ( -11.344 -4.746 -2.206) 12.493 17.533 ( -5.034 -1.967 -3.008) 6.186 17.826 ( -3.508 -8.408 -4.430) 10.131 17.951 ( -3.558 -5.425 -10.131) 12.030 18.473 ( -5.988 5.215 -7.774) 11.112 18.547 ( 0.423 4.137 -8.735) 9.674 19.200 ( -0.222 -13.782 4.537) 14.512 19.687 ( -1.684 -8.794 -6.008) 10.783 20.006 ( -0.261 4.408 0.248) 4.423 20.111 ( -1.987 0.208 -2.482) 3.186 20.727 ( -2.018 4.169 2.122) 5.095 20.806 ( 3.230 1.705 0.282) 3.663 20.863 ( 1.781 0.301 2.310) 2.933 20.979 ( -1.784 -4.312 1.645) 4.948 21.088 ( 0.756 -4.079 1.122) 4.297 21.237 ( 2.363 5.764 0.533) 6.253 21.325 ( 3.380 2.791 2.402) 4.998 21.527 ( -4.433 -3.567 -6.730) 8.813 21.689 ( 3.080 7.101 -1.403) 7.867 21.724 ( -1.316 3.764 1.154) 4.152 21.823 ( 1.366 2.549 1.110) 3.097 21.939 ( -1.138 -2.392 -0.288) 2.665 22.016 ( -1.883 -0.406 -0.634) 2.028 22.079 ( 1.294 -1.468 0.075) 1.959 22.161 ( -4.806 -0.995 4.257) 6.497 22.253 ( 0.187 -1.470 4.688) 4.917 22.355 ( -3.657 -10.117 3.734) 11.387 22.576 ( 0.483 -12.384 8.919) 15.269 22.836 ( 2.092 -8.265 7.978) 11.677 23.600 ( 2.519 5.375 4.708) 7.576 24.238 ( -1.932 4.432 -12.863) 13.742 24.555 ( -4.297 9.571 -5.870) 12.022 24.880 ( 6.938 10.643 1.918) 12.849 25.086 ( 2.077 5.045 6.111) 8.192 27.536 ( -1.449 7.246 3.153) 8.033 27.723 ( 10.134 0.469 -0.756) 10.173 28.518 ( -11.002 -3.289 -2.584) 11.770 28.709 ( 2.953 -14.733 -5.371) 15.957 ======================= Grid point 160 (30/64) ======================= q-point: ( 0.36 0.18 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 363 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.215 ( -0.954 -0.969 14.311) 14.376 3.677 ( 2.299 3.537 -2.568) 4.939 3.710 ( -1.281 1.995 -0.970) 2.562 3.767 ( 0.389 -0.120 -1.701) 1.749 3.884 ( -1.819 4.541 2.053) 5.306 4.114 ( 1.069 -1.175 3.109) 3.492 4.163 ( 1.327 -4.463 1.823) 5.000 4.543 ( 1.759 22.715 -6.305) 23.639 4.645 ( -1.880 20.420 -1.576) 20.566 4.960 ( -12.597 -5.219 -14.778) 20.107 5.233 ( 2.338 20.087 0.398) 20.226 5.740 ( -5.225 4.844 -7.456) 10.314 6.038 ( 3.493 -3.585 4.988) 7.066 6.299 ( 11.029 7.889 2.489) 13.786 7.119 ( 5.115 12.415 0.737) 13.448 7.290 ( 12.029 13.770 7.829) 19.890 7.467 ( 4.388 2.813 2.689) 5.865 7.803 ( -7.841 3.041 -5.408) 9.999 8.296 ( -2.398 -9.090 8.717) 12.821 8.566 ( 7.278 -1.872 -0.164) 7.517 8.725 ( 1.200 -8.230 1.659) 8.481 9.146 ( -1.722 1.789 -6.770) 7.211 9.850 ( -1.121 -10.040 7.777) 12.749 10.177 ( -4.668 6.076 -4.490) 8.881 10.388 ( -1.322 9.524 -2.685) 9.983 10.667 ( -6.583 15.914 -0.105) 17.222 10.749 ( -18.226 16.056 0.062) 24.290 11.400 ( 0.939 -3.149 -10.686) 11.180 11.674 ( -0.490 0.363 10.312) 10.330 12.302 ( 14.124 -7.404 -0.889) 15.972 12.597 ( 17.905 -3.438 2.907) 18.463 12.724 ( 17.412 -4.662 0.951) 18.050 13.831 ( 11.734 7.878 2.989) 14.446 14.201 ( 2.665 10.146 -10.125) 14.580 14.299 ( -4.411 -16.956 -0.617) 17.531 14.561 ( -6.027 -6.397 -6.767) 11.092 15.342 ( 6.955 14.030 8.720) 17.923 15.520 ( 2.233 5.721 0.481) 6.160 15.690 ( -11.491 -9.180 2.317) 14.889 16.168 ( -2.591 -7.350 12.482) 14.715 16.784 ( -16.248 -3.816 -0.072) 16.690 17.470 ( -5.530 6.012 -5.074) 9.616 17.774 ( 2.966 -2.769 -7.317) 8.367 17.851 ( -1.678 -5.933 -7.265) 9.529 18.442 ( -4.856 7.248 -5.189) 10.151 18.563 ( -2.908 4.540 -8.697) 10.233 19.113 ( 5.559 -13.937 4.837) 15.765 19.601 ( 2.895 -9.851 -3.974) 11.010 20.039 ( -1.219 4.839 -1.239) 5.142 20.084 ( -2.412 1.720 -2.384) 3.802 20.732 ( -1.691 3.218 4.223) 5.572 20.844 ( -1.823 4.400 -0.037) 4.763 20.884 ( 1.149 -2.390 1.688) 3.143 20.953 ( 1.946 -1.909 2.065) 3.420 21.112 ( 5.359 -2.466 -0.937) 5.973 21.278 ( -3.213 0.200 -0.911) 3.346 21.348 ( -1.491 1.437 2.703) 3.405 21.464 ( 1.549 -1.115 -2.522) 3.163 21.728 ( -0.550 1.337 -1.295) 1.941 21.777 ( -1.054 4.781 -1.601) 5.151 21.893 ( -0.292 0.818 -1.025) 1.343 21.916 ( 4.195 2.309 1.804) 5.117 21.984 ( -1.871 -0.443 0.903) 2.124 22.032 ( -2.558 -4.979 0.923) 5.673 22.105 ( -2.578 3.399 3.190) 5.327 22.203 ( 0.364 -4.801 0.815) 4.883 22.323 ( 4.379 -5.383 8.148) 10.703 22.484 ( 3.056 -11.826 4.012) 12.857 22.806 ( 3.457 -7.430 16.191) 18.147 23.701 ( -0.517 8.901 -0.997) 8.972 24.220 ( -3.750 3.599 -10.253) 11.495 24.549 ( -5.689 8.560 -6.091) 11.947 25.028 ( 0.039 7.715 0.418) 7.727 25.148 ( -0.771 4.855 6.497) 8.147 27.547 ( -3.592 6.068 2.652) 7.534 27.953 ( 14.551 1.277 0.652) 14.622 28.254 ( -11.034 -9.446 -3.662) 14.980 28.670 ( 5.733 -11.143 -5.209) 13.571 ======================= Grid point 170 (31/64) ======================= q-point: ( 0.27 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.220 ( -1.133 -1.963 14.929) 15.100 3.669 ( 2.775 4.806 -3.277) 6.445 3.741 ( -0.074 -0.129 -2.177) 2.182 3.756 ( 0.834 1.444 0.540) 1.753 3.929 ( 1.678 2.906 1.959) 3.886 4.101 ( -0.763 -1.322 2.564) 2.984 4.118 ( -1.726 -2.989 2.880) 4.495 4.529 ( 9.427 16.328 -7.688) 20.361 4.974 ( 1.299 2.250 -10.546) 10.861 5.084 ( 7.727 13.383 -9.427) 18.102 5.198 ( 9.054 15.682 1.633) 18.181 5.851 ( -0.748 -1.296 7.087) 7.243 5.922 ( -1.474 -2.553 -4.349) 5.254 6.274 ( 10.357 17.938 0.371) 20.717 7.146 ( 11.505 19.927 10.068) 25.116 7.268 ( 6.100 10.565 -3.776) 12.770 7.378 ( 5.873 10.172 -5.435) 12.943 7.908 ( -2.015 -3.490 7.950) 8.913 8.311 ( -3.362 -5.824 2.107) 7.047 8.468 ( -0.379 -0.656 -0.754) 1.069 8.651 ( -2.513 -4.353 6.105) 7.908 9.171 ( -1.356 -2.349 -7.941) 8.392 9.809 ( -6.146 -10.645 8.738) 15.081 10.319 ( 0.367 0.636 -1.627) 1.785 10.323 ( 3.720 6.443 -6.664) 9.988 10.957 ( 7.627 13.210 -1.063) 15.291 11.051 ( 1.628 2.820 -1.089) 3.433 11.354 ( -0.148 -0.256 -10.179) 10.184 11.651 ( 2.381 4.125 13.096) 13.935 12.080 ( 0.908 1.574 -3.788) 4.201 12.353 ( 8.774 15.198 2.106) 17.675 12.555 ( 0.370 0.640 5.866) 5.913 13.770 ( 7.003 12.130 1.747) 14.115 14.248 ( -6.178 -10.701 -7.338) 14.371 14.257 ( -0.794 -1.375 -2.296) 2.792 14.562 ( -4.356 -7.545 -11.161) 14.159 15.361 ( 4.106 7.111 16.441) 18.377 15.507 ( 3.151 5.458 0.750) 6.347 15.762 ( 0.883 1.530 -1.046) 2.053 16.156 ( -5.567 -9.642 11.675) 16.132 16.917 ( -9.401 -16.283 -2.920) 19.028 17.561 ( 2.386 4.132 -7.614) 8.985 17.711 ( -1.605 -2.779 -1.264) 3.449 17.850 ( -3.089 -5.350 -11.136) 12.735 18.542 ( 1.689 2.926 -6.195) 7.056 18.620 ( 1.287 2.230 -6.085) 6.608 18.976 ( -5.105 -8.842 5.683) 11.685 19.514 ( -4.498 -7.791 -4.786) 10.190 20.074 ( 1.425 2.469 -1.265) 3.119 20.113 ( -0.077 -0.134 -2.674) 2.679 20.785 ( 0.165 0.285 2.791) 2.811 20.831 ( 1.416 2.453 3.492) 4.496 20.923 ( 2.743 4.752 -1.089) 5.594 20.924 ( -0.830 -1.438 2.593) 3.079 21.025 ( -0.853 -1.477 0.618) 1.814 21.298 ( -1.372 -2.377 -0.821) 2.865 21.381 ( 1.465 2.538 2.063) 3.584 21.437 ( -1.504 -2.606 -4.306) 5.253 21.758 ( -0.760 -1.317 0.591) 1.631 21.803 ( 2.420 4.191 -0.967) 4.935 21.855 ( 0.906 1.569 1.634) 2.440 21.921 ( 0.216 0.374 -2.019) 2.065 22.016 ( 0.188 0.326 2.843) 2.868 22.029 ( -1.818 -3.148 -0.472) 3.666 22.102 ( -2.324 -4.026 3.016) 5.541 22.227 ( -0.699 -1.212 3.920) 4.162 22.237 ( -0.552 -0.956 3.314) 3.493 22.382 ( -4.127 -7.148 6.321) 10.397 22.754 ( -1.128 -1.955 17.081) 17.230 23.771 ( 6.339 10.979 -1.907) 12.820 24.249 ( -1.838 -3.183 -12.898) 13.411 24.635 ( 0.360 0.623 -10.495) 10.520 25.077 ( 4.981 8.628 5.775) 11.515 25.184 ( 2.353 4.075 8.478) 9.696 27.695 ( 3.288 5.696 4.242) 7.826 27.744 ( 3.219 5.575 -2.119) 6.778 28.330 ( -9.452 -16.372 -4.640) 19.466 28.531 ( -1.628 -2.820 -3.824) 5.023 ======================= Grid point 171 (32/64) ======================= q-point: ( 0.36 0.27 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.200 ( 0.250 -0.433 15.301) 15.309 3.723 ( -0.452 0.782 -2.890) 3.028 3.730 ( -0.517 0.895 -2.280) 2.504 3.772 ( -0.181 0.314 -0.211) 0.420 3.959 ( -1.614 2.796 2.382) 4.012 4.080 ( 0.923 -1.599 2.862) 3.406 4.088 ( 1.493 -2.586 2.272) 3.752 4.779 ( -2.290 3.966 -9.265) 10.335 4.869 ( -0.628 1.087 -12.612) 12.674 5.169 ( -12.222 21.169 -10.385) 26.558 5.590 ( -7.405 12.826 3.503) 15.219 5.684 ( 2.871 -4.972 0.983) 5.825 5.895 ( 6.397 -11.080 5.583) 13.959 6.496 ( -5.096 8.827 -3.761) 10.864 7.278 ( -3.515 6.088 -4.099) 8.137 7.410 ( 2.688 -4.655 -2.805) 6.063 7.573 ( -4.510 7.812 12.866) 15.713 7.759 ( 1.832 -3.172 8.202) 8.982 8.247 ( -1.160 2.009 1.664) 2.855 8.546 ( 3.453 -5.981 -1.352) 7.038 8.554 ( 1.279 -2.215 -0.320) 2.578 9.142 ( 0.472 -0.818 -9.505) 9.552 9.691 ( 2.754 -4.771 18.201) 19.017 10.310 ( -3.658 6.335 -5.390) 9.087 10.412 ( 1.700 -2.945 -5.907) 6.816 11.035 ( -8.518 14.754 -0.167) 17.037 11.092 ( -7.408 12.832 -3.913) 15.325 11.363 ( 0.375 -0.649 -10.614) 10.641 11.737 ( -4.707 8.152 11.553) 14.902 12.086 ( 8.620 -14.930 2.974) 17.494 12.537 ( 0.149 -0.258 6.075) 6.082 12.613 ( 3.645 -6.313 1.332) 7.410 13.895 ( 8.033 -13.914 1.108) 16.105 13.930 ( -1.046 1.812 2.765) 3.467 14.339 ( -2.622 4.542 -13.882) 14.839 14.443 ( 3.567 -6.179 -10.779) 12.926 15.311 ( 2.507 -4.342 15.290) 16.091 15.655 ( -5.598 9.697 3.185) 11.641 15.894 ( 0.691 -1.196 4.933) 5.123 16.153 ( -8.688 15.048 1.209) 17.418 16.628 ( 6.799 -11.776 -2.223) 13.779 17.610 ( -4.219 7.308 -9.052) 12.375 17.738 ( 1.692 -2.930 -0.494) 3.419 17.749 ( 1.762 -3.052 -12.195) 12.694 18.577 ( -3.633 6.292 -3.806) 8.202 18.638 ( -1.215 2.104 -5.196) 5.736 18.882 ( 4.814 -8.338 5.306) 10.993 19.432 ( 3.476 -6.021 -4.564) 8.317 20.102 ( -0.858 1.487 -2.313) 2.881 20.106 ( -0.412 0.714 -2.271) 2.417 20.780 ( -0.788 1.366 3.746) 4.064 20.866 ( -0.309 0.535 3.691) 3.743 20.907 ( 0.953 -1.650 3.627) 4.097 20.962 ( -3.613 6.257 -0.783) 7.268 21.063 ( 1.777 -3.079 -2.271) 4.218 21.204 ( 2.877 -4.982 -1.667) 5.990 21.400 ( -1.510 2.616 1.810) 3.521 21.443 ( 0.756 -1.309 0.800) 1.710 21.731 ( 0.339 -0.588 -1.842) 1.963 21.838 ( -0.475 0.823 -2.034) 2.245 21.878 ( -0.275 0.476 0.531) 0.764 21.921 ( 1.253 -2.170 -0.909) 2.665 21.992 ( -1.697 2.939 2.356) 4.131 22.024 ( -0.616 1.067 1.772) 2.158 22.083 ( 2.807 -4.862 3.689) 6.718 22.187 ( -2.349 4.069 2.118) 5.154 22.262 ( 1.046 -1.811 5.660) 6.034 22.302 ( 3.677 -6.369 2.649) 7.817 22.737 ( 0.749 -1.297 20.164) 20.220 23.921 ( -6.722 11.643 -5.718) 14.610 24.178 ( 3.846 -6.661 -10.251) 12.816 24.635 ( -0.924 1.601 -11.596) 11.742 25.170 ( -3.171 5.493 6.498) 9.080 25.221 ( -0.934 1.618 8.737) 8.935 27.713 ( -6.175 10.696 2.409) 12.583 27.942 ( 2.791 -4.834 1.215) 5.713 28.056 ( 4.378 -7.583 -5.963) 10.594 28.508 ( 2.671 -4.626 -4.477) 6.969 ======================= Grid point 266 (33/64) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 0.000 0.000 40.343) 40.343 1.735 ( 0.000 0.000 40.343) 40.343 2.829 ( -0.000 0.000 -16.982) 16.982 2.829 ( 0.000 0.000 -16.982) 16.982 3.366 ( 0.000 -0.000 77.985) 77.985 3.914 ( 0.000 0.000 2.009) 2.009 3.914 ( 0.000 0.000 2.009) 2.009 3.961 ( 0.000 -0.000 -0.615) 0.615 3.961 ( -0.000 0.000 -0.615) 0.615 4.155 ( -0.000 0.000 19.557) 19.557 4.351 ( -0.000 0.000 1.936) 1.936 4.703 ( 0.000 0.000 2.663) 2.663 4.894 ( 0.000 0.000 12.020) 12.020 4.894 ( 0.000 -0.000 12.020) 12.020 4.922 ( -0.000 0.000 -17.689) 17.689 5.492 ( 0.000 0.000 -18.475) 18.475 5.492 ( -0.000 0.000 -18.475) 18.475 6.054 ( -0.000 -0.000 -39.948) 39.948 8.496 ( -0.000 -0.000 2.891) 2.891 8.496 ( -0.000 0.000 2.891) 2.891 8.716 ( 0.000 0.000 -6.834) 6.834 8.716 ( -0.000 0.000 -6.834) 6.834 9.966 ( 0.000 0.000 -12.118) 12.118 10.126 ( 0.000 0.000 -14.505) 14.505 10.201 ( -0.000 0.000 16.303) 16.303 10.201 ( 0.000 -0.000 16.303) 16.303 10.862 ( 0.000 0.000 -15.009) 15.009 10.862 ( 0.000 0.000 -15.009) 15.009 11.549 ( 0.000 -0.000 3.419) 3.419 11.679 ( 0.000 0.000 -2.890) 2.890 12.390 ( 0.000 0.000 8.540) 8.540 12.398 ( -0.000 -0.000 19.451) 19.451 12.398 ( 0.000 0.000 19.451) 19.451 12.579 ( 0.000 0.000 0.205) 0.205 13.135 ( 0.000 0.000 -16.674) 16.674 13.135 ( -0.000 -0.000 -16.674) 16.674 16.429 ( 0.000 0.000 41.042) 41.042 16.782 ( 0.000 -0.000 6.220) 6.220 16.782 ( 0.000 -0.000 6.220) 6.220 17.155 ( 0.000 0.000 -12.023) 12.023 17.155 ( 0.000 -0.000 -12.023) 12.023 17.997 ( 0.000 0.000 -36.357) 36.357 18.413 ( -0.000 0.000 11.313) 11.313 18.413 ( 0.000 0.000 11.313) 11.313 18.704 ( -0.000 0.000 -1.658) 1.658 18.704 ( 0.000 0.000 -1.658) 1.658 19.882 ( -0.000 -0.000 13.530) 13.530 19.882 ( 0.000 0.000 13.530) 13.530 20.374 ( 0.000 0.000 -4.642) 4.642 20.374 ( -0.000 0.000 -4.642) 4.642 20.567 ( 0.000 0.000 0.810) 0.810 20.601 ( 0.000 0.000 -0.806) 0.806 20.921 ( 0.000 0.000 -9.849) 9.849 20.921 ( 0.000 0.000 -9.849) 9.849 20.923 ( 0.000 0.000 -5.473) 5.473 20.923 ( 0.000 0.000 -5.473) 5.473 21.440 ( 0.000 -0.000 6.235) 6.235 21.677 ( 0.000 0.000 1.599) 1.599 21.918 ( 0.000 0.000 0.614) 0.614 21.918 ( 0.000 0.000 0.614) 0.614 21.933 ( 0.000 0.000 -0.175) 0.175 21.933 ( 0.000 -0.000 -0.175) 0.175 22.134 ( 0.000 0.000 -4.253) 4.253 22.435 ( 0.000 -0.000 6.178) 6.178 22.435 ( 0.000 0.000 6.178) 6.178 22.476 ( 0.000 0.000 -11.621) 11.621 22.696 ( -0.000 0.000 -7.307) 7.307 22.696 ( 0.000 -0.000 -7.307) 7.307 23.483 ( 0.000 0.000 11.467) 11.467 23.483 ( 0.000 -0.000 11.467) 11.467 23.834 ( 0.000 0.000 -6.543) 6.543 23.834 ( -0.000 0.000 -6.543) 6.543 24.100 ( -0.000 -0.000 21.149) 21.149 24.560 ( 0.000 0.000 -4.324) 4.324 26.913 ( 0.000 0.000 8.681) 8.681 27.431 ( 0.000 -0.000 -16.608) 16.608 29.070 ( 0.000 -0.000 6.948) 6.948 29.269 ( 0.000 -0.000 -3.381) 3.381 ======================= Grid point 267 (34/64) ======================= q-point: ( 0.09 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 20.685 11.942 34.401) 41.880 2.232 ( 33.814 19.523 34.748) 52.268 2.953 ( 10.573 6.104 -15.207) 19.501 3.186 ( 27.284 15.753 -14.492) 34.678 3.516 ( 16.159 9.329 62.570) 65.293 3.894 ( -0.867 -0.500 2.517) 2.709 3.951 ( -0.974 -0.562 -0.799) 1.380 3.956 ( 4.422 2.553 0.762) 5.163 3.977 ( 1.852 1.069 1.145) 2.426 4.311 ( -2.207 -1.274 1.873) 3.163 4.322 ( 12.597 7.273 13.079) 19.561 4.528 ( -12.991 -7.500 5.201) 15.877 4.656 ( -2.643 -1.526 3.677) 4.778 5.098 ( 16.577 9.570 14.021) 23.727 5.367 ( 17.159 9.907 -7.391) 21.148 5.497 ( -1.615 -0.932 -23.894) 23.967 5.602 ( 13.698 7.909 -16.505) 22.860 6.166 ( 11.151 6.438 -30.199) 32.829 8.511 ( 1.271 0.734 2.366) 2.784 8.691 ( 15.623 9.020 -0.691) 18.053 8.712 ( -0.353 -0.204 -6.494) 6.507 8.855 ( 11.789 6.806 -6.699) 15.172 9.872 ( -6.673 -3.852 -7.373) 10.665 9.944 ( -13.163 -7.600 -7.034) 16.748 10.209 ( 0.483 0.279 16.354) 16.363 10.357 ( 12.231 7.061 10.147) 17.390 10.853 ( -1.167 -0.674 -14.299) 14.362 10.986 ( 8.928 5.155 -17.593) 20.391 11.658 ( 9.631 5.561 3.293) 11.598 11.782 ( 9.254 5.343 -2.647) 11.009 12.180 ( -15.183 -8.766 7.457) 19.052 12.247 ( -10.793 -6.231 7.745) 14.674 12.379 ( -1.414 -0.816 19.273) 19.342 12.702 ( 8.345 4.818 9.958) 13.857 13.134 ( 0.005 0.003 -17.686) 17.686 13.301 ( 12.380 7.148 -17.221) 22.381 16.340 ( -7.143 -4.124 40.771) 41.597 16.753 ( -2.270 -1.311 8.306) 8.710 16.813 ( 2.388 1.379 8.151) 8.605 17.187 ( 2.509 1.448 -13.249) 13.562 17.256 ( 7.556 4.363 -11.985) 14.824 17.938 ( -5.164 -2.981 -34.893) 35.399 18.329 ( -7.380 -4.261 11.283) 14.139 18.359 ( -4.572 -2.639 10.751) 11.977 18.646 ( -5.324 -3.074 -2.870) 6.785 18.694 ( -2.019 -1.165 -4.384) 4.965 19.843 ( -3.293 -1.901 10.310) 10.989 19.875 ( -0.510 -0.294 12.345) 12.359 20.272 ( -9.079 -5.242 -6.845) 12.520 20.315 ( -4.616 -2.665 -5.417) 7.600 20.592 ( 1.914 1.105 0.882) 2.379 20.623 ( 1.867 1.078 -0.871) 2.325 20.872 ( -0.412 -0.238 -2.564) 2.608 20.907 ( 2.441 1.410 -2.814) 3.983 21.004 ( 3.397 1.961 -8.227) 9.115 21.044 ( 6.909 3.989 -9.267) 12.228 21.408 ( -3.102 -1.791 4.970) 6.126 21.474 ( -9.391 -5.422 7.469) 13.168 21.836 ( -6.324 -3.651 0.224) 7.305 21.887 ( -2.509 -1.449 0.947) 3.049 21.919 ( -1.644 -0.949 -0.501) 1.963 21.934 ( -2.776 -1.603 -7.187) 7.870 22.269 ( 5.746 3.317 -0.342) 6.643 22.346 ( -6.820 -3.938 6.950) 10.503 22.354 ( -4.726 -2.729 2.273) 5.912 22.429 ( -0.940 -0.543 1.246) 1.653 22.646 ( -4.641 -2.680 -8.284) 9.867 22.846 ( 8.166 4.715 -10.611) 14.195 23.513 ( 2.463 1.422 11.338) 11.689 23.542 ( 5.452 3.148 6.668) 9.171 23.752 ( -2.265 -1.308 -0.761) 2.724 23.864 ( 2.287 1.320 -6.589) 7.098 24.240 ( 7.628 4.404 17.558) 19.644 24.644 ( 6.850 3.955 -2.938) 8.438 26.993 ( 6.656 3.843 7.300) 10.599 27.448 ( 1.460 0.843 -15.234) 15.327 29.002 ( -5.726 -3.306 6.328) 9.152 29.200 ( -5.473 -3.160 -4.554) 7.789 ======================= Grid point 268 (35/64) ======================= q-point: ( 0.18 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 25.635 14.801 25.427) 39.023 2.837 ( 19.389 11.194 36.329) 42.674 3.249 ( 14.332 8.275 -11.209) 19.988 3.668 ( 9.856 5.690 -6.424) 13.069 3.891 ( 0.586 0.338 1.139) 1.325 3.912 ( -2.552 -1.473 -0.234) 2.956 3.942 ( 5.999 3.464 2.452) 7.349 4.129 ( 6.541 3.777 -1.702) 7.743 4.235 ( 25.404 14.667 22.032) 36.686 4.305 ( -4.280 -2.471 10.865) 11.936 4.452 ( 24.721 14.273 2.368) 28.643 4.661 ( 8.744 5.048 3.240) 10.604 4.675 ( 15.042 8.684 -2.484) 17.546 5.412 ( -2.994 -1.729 -25.515) 25.748 5.578 ( 24.853 14.349 17.913) 33.830 5.654 ( 14.136 8.161 1.919) 16.435 6.125 ( 28.037 16.187 -16.790) 36.469 6.518 ( 18.399 10.623 -16.232) 26.737 8.547 ( 1.695 0.978 1.176) 2.283 8.701 ( -0.494 -0.285 -5.199) 5.231 9.078 ( 16.229 9.370 -1.388) 18.791 9.173 ( 13.548 7.822 -4.854) 16.380 9.624 ( -11.383 -6.572 -1.295) 13.208 9.751 ( -4.337 -2.504 -9.365) 10.620 10.206 ( -1.220 -0.704 15.764) 15.827 10.723 ( 20.589 11.887 5.196) 24.336 10.791 ( -4.690 -2.708 -12.499) 13.622 11.189 ( 7.783 4.494 -12.309) 15.241 11.840 ( -12.630 -7.292 3.060) 14.902 11.952 ( 14.783 8.535 4.303) 17.603 11.979 ( -12.105 -6.989 -1.380) 14.046 12.053 ( 12.543 7.242 0.626) 14.497 12.392 ( 6.277 3.624 15.009) 16.667 12.925 ( 11.718 6.766 14.980) 20.186 13.150 ( 2.021 1.167 -20.077) 20.212 13.617 ( 15.401 8.892 -18.891) 25.944 16.149 ( -9.537 -5.506 40.975) 42.429 16.698 ( -2.494 -1.440 12.372) 12.703 16.842 ( -1.513 -0.873 11.228) 11.363 17.239 ( 1.411 0.814 -14.708) 14.798 17.393 ( 1.878 1.084 -10.773) 10.989 17.793 ( -6.437 -3.716 -28.540) 29.492 18.096 ( -13.138 -7.585 10.806) 18.625 18.235 ( -5.568 -3.215 3.975) 7.559 18.464 ( -10.937 -6.314 -5.567) 13.802 18.567 ( -9.829 -5.675 -7.800) 13.772 19.757 ( -4.012 -2.316 3.683) 5.918 19.863 ( -0.538 -0.311 9.463) 9.484 20.017 ( -11.947 -6.898 -7.143) 15.535 20.197 ( -5.593 -3.229 -5.759) 8.653 20.633 ( 1.761 1.017 1.515) 2.536 20.690 ( 4.041 2.333 -0.936) 4.759 20.897 ( 1.948 1.125 1.597) 2.759 21.017 ( 6.785 3.917 1.537) 7.984 21.051 ( -0.119 -0.069 -4.720) 4.722 21.212 ( 7.887 4.554 -8.022) 12.137 21.285 ( -3.778 -2.181 5.923) 7.356 21.379 ( -3.021 -1.744 1.118) 3.663 21.688 ( -6.210 -3.585 2.830) 7.709 21.803 ( -5.379 -3.106 2.274) 6.614 21.859 ( -3.018 -1.743 -5.705) 6.685 21.863 ( -2.961 -1.710 -0.887) 3.533 22.188 ( -6.398 -3.694 6.458) 9.812 22.238 ( -2.131 -1.230 2.505) 3.511 22.309 ( -2.468 -1.425 -1.456) 3.200 22.478 ( 3.056 1.764 10.491) 11.069 22.502 ( -7.688 -4.439 -8.671) 12.409 22.964 ( 2.556 1.476 -8.363) 8.868 23.573 ( 2.449 1.414 10.319) 10.700 23.647 ( 1.986 1.147 5.542) 5.997 23.842 ( 10.219 5.900 -5.855) 13.173 23.911 ( 1.523 0.880 -6.664) 6.892 24.375 ( 4.813 2.779 17.796) 18.643 24.813 ( 7.312 4.222 -2.304) 8.752 27.183 ( 9.877 5.703 5.714) 12.756 27.495 ( 2.725 1.573 -11.109) 11.546 28.843 ( -7.859 -4.537 5.053) 10.387 29.061 ( -6.459 -3.729 -7.435) 10.531 ======================= Grid point 269 (36/64) ======================= q-point: ( 0.27 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.048 ( 19.355 11.175 18.422) 28.964 3.197 ( 14.254 8.230 23.400) 28.609 3.508 ( 7.681 4.435 -5.801) 10.598 3.750 ( 0.528 0.305 -4.485) 4.526 3.842 ( -2.763 -1.595 5.048) 5.972 3.921 ( 1.559 0.900 0.646) 1.913 4.018 ( 3.374 1.948 1.642) 4.228 4.181 ( 1.836 1.060 0.258) 2.136 4.353 ( 8.637 4.987 7.955) 12.757 4.413 ( -1.276 -0.736 3.343) 3.653 4.897 ( 3.544 2.046 -23.268) 23.625 4.949 ( 9.372 5.411 -16.810) 19.992 5.392 ( 41.299 23.844 13.534) 49.571 5.590 ( 23.019 13.290 -5.130) 27.070 6.072 ( 22.594 13.045 13.536) 29.392 6.178 ( 28.512 16.461 17.901) 37.475 6.736 ( 25.348 14.635 -18.654) 34.709 6.923 ( 17.771 10.260 -8.155) 22.081 8.580 ( 1.418 0.819 1.285) 2.081 8.711 ( 1.932 1.115 -3.837) 4.438 9.154 ( -12.021 -6.940 5.698) 15.004 9.258 ( -2.394 -1.382 3.868) 4.754 9.652 ( 10.163 5.867 -10.224) 15.564 9.813 ( 10.623 6.133 -11.867) 17.067 10.144 ( -4.317 -2.492 13.796) 14.668 10.636 ( -9.284 -5.360 -10.128) 14.748 11.112 ( -3.470 -2.004 4.364) 5.925 11.276 ( 11.361 6.559 -3.196) 13.503 11.763 ( 2.962 1.710 -4.332) 5.519 11.882 ( 14.064 8.120 -7.220) 17.773 12.062 ( -2.542 -1.468 14.508) 14.802 12.376 ( 14.537 8.393 -0.605) 16.797 12.785 ( 25.613 14.788 3.515) 29.783 13.225 ( 15.388 8.884 16.452) 24.216 13.276 ( 10.985 6.342 -20.053) 23.728 13.966 ( 15.543 8.974 -19.938) 26.826 15.926 ( -10.478 -6.049 38.754) 40.599 16.643 ( -2.549 -1.472 15.403) 15.681 16.644 ( -18.106 -10.454 9.438) 22.939 17.205 ( -5.948 -3.434 -11.495) 13.390 17.249 ( -14.318 -8.267 -3.563) 16.913 17.688 ( -4.677 -2.700 -25.013) 25.589 17.778 ( -14.311 -8.262 7.864) 18.300 18.161 ( -1.100 -0.635 -4.980) 5.139 18.183 ( -13.263 -7.657 -8.894) 17.710 18.307 ( -10.406 -6.008 -7.428) 14.126 19.663 ( -4.514 -2.606 0.982) 5.304 19.820 ( -4.901 -2.830 -5.866) 8.151 19.855 ( -0.141 -0.081 6.126) 6.129 20.079 ( -4.775 -2.757 -4.808) 7.315 20.676 ( 2.127 1.228 3.151) 3.995 20.791 ( 4.884 2.820 -2.090) 6.015 20.903 ( -2.671 -1.542 4.065) 5.102 21.024 ( 0.122 0.071 0.437) 0.459 21.173 ( 6.276 3.623 4.188) 8.370 21.260 ( -3.127 -1.805 -0.864) 3.713 21.317 ( 1.308 0.755 -1.289) 1.986 21.384 ( 7.238 4.179 -6.181) 10.396 21.587 ( -2.569 -1.483 4.531) 5.415 21.661 ( -6.365 -3.675 5.468) 9.161 21.805 ( -2.314 -1.336 -6.561) 7.084 21.807 ( -1.741 -1.005 -2.257) 3.022 22.076 ( -3.839 -2.217 4.129) 6.058 22.223 ( 0.097 0.056 2.953) 2.955 22.270 ( -0.608 -0.351 -0.077) 0.706 22.330 ( -7.288 -4.207 -7.450) 11.239 22.528 ( 1.895 1.094 14.614) 14.776 22.973 ( -1.655 -0.955 -5.341) 5.673 23.610 ( 0.873 0.504 8.593) 8.652 23.669 ( 0.544 0.314 10.036) 10.056 23.920 ( -0.845 -0.488 -6.621) 6.692 24.065 ( 7.573 4.372 -7.081) 11.252 24.483 ( 5.600 3.233 11.154) 12.893 24.942 ( 4.002 2.311 -4.469) 6.429 27.401 ( 8.632 4.983 4.736) 11.035 27.581 ( 5.776 3.335 -5.644) 8.737 28.673 ( -7.333 -4.233 3.816) 9.287 28.925 ( -5.631 -3.251 -9.472) 11.489 ======================= Grid point 270 (37/64) ======================= q-point: ( 0.36 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.352 ( 7.999 4.618 12.706) 15.708 3.469 ( 9.697 5.599 7.010) 13.211 3.591 ( 0.582 0.336 -1.840) 1.959 3.740 ( -1.048 -0.605 -4.837) 4.986 3.825 ( 1.268 0.732 8.967) 9.086 3.959 ( 2.039 1.177 2.476) 3.416 4.114 ( 4.932 2.848 2.702) 6.304 4.240 ( 3.457 1.996 0.447) 4.017 4.371 ( -1.321 -0.763 2.876) 3.256 4.618 ( 12.877 7.434 2.749) 15.121 4.822 ( -6.437 -3.716 -22.854) 24.033 5.109 ( 5.405 3.121 -18.055) 19.104 6.039 ( 17.075 9.858 8.043) 21.294 6.194 ( 23.898 13.797 2.333) 27.693 6.585 ( 21.787 12.579 12.532) 28.106 6.832 ( 29.469 17.014 13.639) 36.659 7.183 ( 13.417 7.746 -17.788) 23.588 7.329 ( 19.088 11.020 -2.411) 22.172 8.636 ( 4.166 2.405 4.046) 6.286 8.795 ( 5.435 3.138 -3.729) 7.300 8.849 ( -14.331 -8.274 6.701) 17.853 9.093 ( -10.595 -6.117 0.446) 12.242 9.850 ( 7.517 4.340 -4.133) 9.614 10.026 ( -5.668 -3.272 9.997) 11.949 10.076 ( 10.555 6.094 -10.678) 16.204 10.387 ( -12.687 -7.325 -7.469) 16.444 10.860 ( -12.016 -6.937 9.318) 16.714 11.296 ( -6.972 -4.025 -14.337) 16.442 11.982 ( -3.616 -2.088 17.227) 17.726 12.213 ( 29.184 16.849 2.136) 33.766 12.426 ( 29.644 17.115 -6.559) 34.853 12.583 ( 4.554 2.629 -9.522) 10.878 13.399 ( 27.530 15.894 1.287) 31.815 13.625 ( 21.283 12.288 13.983) 28.275 13.648 ( 20.175 11.648 -13.477) 26.913 14.293 ( 13.596 7.850 -18.138) 23.989 15.665 ( -14.191 -8.193 29.128) 33.421 16.068 ( -31.023 -17.911 5.407) 36.228 16.572 ( -4.087 -2.360 14.929) 15.657 16.784 ( -25.600 -14.780 3.855) 29.810 16.938 ( -16.736 -9.663 -0.941) 19.348 17.497 ( -11.091 -6.403 3.053) 13.165 17.554 ( -6.476 -3.739 -26.451) 27.488 17.944 ( -6.967 -4.023 -13.673) 15.864 18.122 ( -1.001 -0.578 -1.711) 2.064 18.231 ( 0.958 0.553 -8.162) 8.236 19.582 ( -2.271 -1.311 3.158) 4.104 19.771 ( -0.575 -0.332 -5.980) 6.017 19.857 ( 0.326 0.188 3.182) 3.205 19.988 ( -3.397 -1.961 -3.325) 5.142 20.725 ( 2.218 1.281 4.960) 5.582 20.832 ( -2.589 -1.495 4.456) 5.366 20.898 ( 4.439 2.563 -3.500) 6.207 21.011 ( -2.631 -1.519 -2.942) 4.230 21.210 ( 0.739 0.426 4.646) 4.724 21.256 ( 1.098 0.634 4.955) 5.115 21.383 ( 2.489 1.437 -3.500) 4.528 21.463 ( -2.547 -1.471 -2.875) 4.113 21.572 ( 1.119 0.646 1.343) 1.864 21.613 ( 4.376 2.527 4.909) 7.045 21.749 ( -2.490 -1.438 -6.842) 7.421 21.800 ( 1.268 0.732 -2.665) 3.041 22.010 ( -2.202 -1.271 2.566) 3.612 22.190 ( -5.196 -3.000 -5.254) 7.975 22.221 ( -0.196 -0.113 3.905) 3.911 22.272 ( 0.222 0.128 0.598) 0.651 22.579 ( 2.781 1.606 14.119) 14.480 22.900 ( -4.547 -2.625 -1.318) 5.413 23.617 ( -0.046 -0.027 6.452) 6.452 23.682 ( 0.750 0.433 12.666) 12.695 23.879 ( -2.577 -1.488 -6.262) 6.933 24.148 ( 0.568 0.328 0.870) 1.090 24.629 ( 6.841 3.949 -0.974) 7.959 24.995 ( 0.989 0.571 -6.913) 7.007 27.528 ( 3.316 1.915 6.087) 7.192 27.770 ( 10.204 5.891 -4.168) 12.498 28.514 ( -7.131 -4.117 3.819) 9.076 28.821 ( -3.536 -2.042 -10.427) 11.198 ======================= Grid point 271 (38/64) ======================= q-point: ( 0.45 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.447 ( 1.610 0.929 10.564) 10.726 3.580 ( -0.653 -0.377 0.355) 0.833 3.619 ( 3.929 2.269 -1.233) 4.702 3.709 ( -1.565 -0.904 -4.720) 5.054 3.856 ( 0.817 0.472 7.959) 8.015 4.006 ( 1.561 0.901 3.205) 3.677 4.203 ( 2.775 1.602 2.244) 3.911 4.267 ( -1.476 -0.852 -1.393) 2.201 4.452 ( 8.497 4.906 -1.435) 9.915 4.655 ( -8.498 -4.906 -13.214) 16.459 4.841 ( 5.788 3.342 1.188) 6.788 5.190 ( 1.807 1.043 -15.000) 15.145 6.261 ( 4.196 2.423 8.760) 10.011 6.516 ( 6.196 3.577 -2.764) 7.670 6.972 ( 11.167 6.447 5.285) 13.936 7.321 ( 0.456 0.263 -12.141) 12.153 7.423 ( 21.540 12.436 13.170) 28.144 7.669 ( 5.830 3.366 7.795) 10.299 8.597 ( -4.588 -2.649 -0.750) 5.350 8.743 ( 3.803 2.196 6.108) 7.523 8.820 ( -12.304 -7.104 -4.267) 14.834 8.919 ( 4.164 2.404 -3.090) 5.716 9.945 ( -0.201 -0.116 3.795) 3.802 10.031 ( 9.007 5.200 2.394) 10.672 10.113 ( -10.181 -5.878 -4.041) 12.432 10.190 ( -2.127 -1.228 -3.178) 4.017 10.675 ( -3.420 -1.975 5.637) 6.883 11.150 ( -4.474 -2.583 -16.971) 17.740 11.923 ( -1.474 -0.851 18.309) 18.388 12.632 ( 0.727 0.420 -14.559) 14.584 12.727 ( 13.081 7.552 7.026) 16.659 13.007 ( 17.495 10.101 -5.883) 21.040 13.898 ( 14.121 8.153 -0.304) 16.308 14.023 ( 10.160 5.866 -8.881) 14.714 14.190 ( 27.945 16.134 8.717) 33.425 14.545 ( 5.507 3.180 -8.714) 10.787 15.230 ( -20.528 -11.852 9.073) 25.380 15.436 ( -22.094 -12.756 -5.163) 26.029 16.308 ( -12.448 -7.187 22.062) 26.331 16.484 ( -2.002 -1.156 9.985) 10.249 16.586 ( -11.901 -6.871 5.464) 14.789 17.308 ( -4.750 -2.743 5.322) 7.643 17.444 ( -2.784 -1.608 -28.147) 28.330 17.864 ( -1.238 -0.715 -16.820) 16.881 18.130 ( 0.733 0.423 0.632) 1.056 18.249 ( 0.386 0.223 -7.982) 7.994 19.558 ( -0.297 -0.171 4.856) 4.868 19.767 ( 0.023 0.013 -5.074) 5.074 19.868 ( 0.528 0.305 1.089) 1.248 19.931 ( -1.579 -0.912 -1.940) 2.663 20.766 ( 1.130 0.652 6.442) 6.573 20.799 ( -0.507 -0.293 3.066) 3.121 20.946 ( -2.030 -1.172 -2.680) 3.560 20.971 ( 1.766 1.019 -3.893) 4.395 21.253 ( 1.754 1.013 5.615) 5.969 21.265 ( 0.638 0.369 3.137) 3.223 21.377 ( -3.383 -1.953 0.558) 3.946 21.406 ( 0.044 0.025 -2.966) 2.966 21.619 ( 2.199 1.269 -2.404) 3.497 21.702 ( -1.619 -0.934 -6.208) 6.483 21.720 ( 3.113 1.797 2.192) 4.210 21.843 ( 1.748 1.009 -1.811) 2.711 21.979 ( -0.530 -0.306 1.921) 2.016 22.101 ( -2.603 -1.503 -3.072) 4.297 22.217 ( -0.138 -0.079 5.737) 5.739 22.271 ( -0.164 -0.095 1.357) 1.370 22.645 ( 2.749 1.587 9.045) 9.586 22.796 ( -3.871 -2.235 3.094) 5.436 23.617 ( 0.059 0.034 4.542) 4.542 23.700 ( 0.596 0.344 13.238) 13.256 23.825 ( -1.627 -0.940 -5.680) 5.983 24.135 ( -0.845 -0.488 5.692) 5.775 24.749 ( 3.179 1.836 -7.092) 7.985 24.999 ( -0.232 -0.134 -7.696) 7.700 27.575 ( 1.027 0.593 8.490) 8.573 27.976 ( 6.782 3.916 -9.089) 11.998 28.364 ( -5.334 -3.080 7.805) 9.943 28.770 ( -1.098 -0.634 -10.959) 11.032 ======================= Grid point 278 (39/64) ======================= q-point: ( 0.09 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 17.137 29.681 26.809) 43.513 2.681 ( 12.421 21.514 35.865) 43.628 3.190 ( 9.538 16.521 -11.330) 22.188 3.571 ( 9.298 16.105 -9.016) 20.667 3.861 ( 8.184 14.175 15.210) 22.344 3.907 ( 3.017 5.226 5.906) 8.444 3.931 ( -0.874 -1.514 -0.896) 1.964 4.069 ( 9.808 16.988 20.125) 28.103 4.080 ( 4.567 7.911 -5.002) 10.414 4.297 ( -0.562 -0.974 7.449) 7.534 4.394 ( 2.549 4.416 5.941) 7.829 4.572 ( 8.528 14.772 3.819) 17.479 4.638 ( 2.170 3.759 1.459) 4.579 5.412 ( -1.722 -2.982 -23.055) 23.311 5.436 ( 14.026 24.293 19.493) 34.159 5.733 ( 7.447 12.898 -11.351) 18.726 5.799 ( 11.839 20.505 -13.525) 27.268 6.441 ( 12.115 20.985 -19.232) 30.935 8.558 ( 1.933 3.348 1.292) 4.076 8.685 ( -0.569 -0.986 -4.491) 4.633 8.995 ( 10.505 18.195 -3.658) 21.326 9.065 ( 8.119 14.063 -5.480) 17.138 9.709 ( -8.042 -13.930 -1.645) 16.169 9.765 ( -3.757 -6.508 -7.387) 10.537 10.249 ( 1.651 2.859 15.696) 16.039 10.571 ( 8.672 15.020 6.215) 18.424 10.855 ( -0.003 -0.005 -13.236) 13.236 11.093 ( 2.942 5.096 -14.885) 16.006 11.860 ( 8.023 13.897 3.624) 16.450 11.913 ( -8.632 -14.951 4.858) 17.934 11.987 ( 7.592 13.149 -1.240) 15.234 12.056 ( -6.416 -11.114 0.386) 12.839 12.382 ( 1.368 2.369 18.163) 18.368 12.838 ( 5.284 9.152 12.403) 16.295 13.169 ( 2.100 3.637 -17.877) 18.364 13.513 ( 8.063 13.965 -18.646) 24.651 16.203 ( -5.375 -9.311 40.947) 42.335 16.729 ( -0.999 -1.730 11.031) 11.210 16.829 ( 0.055 0.095 10.941) 10.941 17.227 ( 0.708 1.227 -14.735) 14.803 17.371 ( 3.230 5.594 -11.168) 12.901 17.830 ( -4.398 -7.617 -29.720) 30.994 18.198 ( -5.517 -9.556 6.440) 12.776 18.238 ( -5.106 -8.844 9.962) 14.266 18.535 ( -4.916 -8.515 -4.633) 10.869 18.623 ( -3.805 -6.590 -6.945) 10.302 19.781 ( -2.260 -3.915 4.762) 6.567 19.850 ( -1.952 -3.381 9.447) 10.222 20.094 ( -6.153 -10.658 -5.818) 13.613 20.245 ( -2.502 -4.334 -5.761) 7.631 20.632 ( 1.544 2.674 0.841) 3.200 20.650 ( 1.044 1.809 -0.805) 2.238 20.919 ( 1.306 2.261 -0.010) 2.611 20.925 ( 2.289 3.965 0.457) 4.602 21.086 ( 2.692 4.663 -6.198) 8.211 21.137 ( 2.569 4.449 -6.474) 8.264 21.341 ( -2.698 -4.673 6.503) 8.450 21.370 ( -1.518 -2.630 2.398) 3.869 21.730 ( -4.443 -7.695 2.051) 9.119 21.803 ( -2.412 -4.179 -1.709) 5.119 21.888 ( -0.978 -1.694 0.144) 1.961 21.937 ( -0.193 -0.334 -4.366) 4.383 22.191 ( -4.600 -7.967 2.132) 9.443 22.204 ( -4.748 -8.224 0.217) 9.499 22.380 ( -0.918 -1.589 2.804) 3.351 22.403 ( 2.024 3.505 8.944) 9.817 22.675 ( 0.738 1.278 -7.298) 7.445 22.897 ( 0.323 0.560 -7.195) 7.224 23.405 ( -4.409 -7.636 9.784) 13.171 23.701 ( 4.719 8.173 -6.441) 11.426 23.824 ( 3.068 5.314 5.232) 8.063 23.915 ( 3.806 6.592 -3.714) 8.469 24.353 ( 3.840 6.650 17.417) 19.035 24.770 ( 4.580 7.933 -2.242) 9.431 27.124 ( 5.284 9.152 6.085) 12.195 27.479 ( 1.339 2.319 -12.492) 12.776 28.892 ( -4.267 -7.391 5.198) 9.993 29.094 ( -4.135 -7.162 -6.422) 10.471 ======================= Grid point 279 (40/64) ======================= q-point: ( 0.18 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.973 ( 11.714 25.090 21.084) 34.803 3.064 ( 15.515 15.146 25.666) 33.598 3.489 ( 6.150 13.519 -5.520) 15.845 3.719 ( 2.504 0.273 -3.950) 4.684 3.886 ( -2.838 -1.019 2.019) 3.629 3.924 ( 1.175 2.696 -1.032) 3.116 4.026 ( 0.734 7.084 0.977) 7.189 4.134 ( 4.160 -0.694 -0.122) 4.219 4.283 ( 2.929 1.545 10.142) 10.669 4.416 ( 2.752 1.758 8.310) 8.929 4.781 ( 12.814 13.430 -9.729) 20.958 4.861 ( 17.048 14.405 -4.155) 22.703 5.081 ( 23.709 32.005 2.716) 39.922 5.432 ( 8.449 7.753 -15.010) 18.890 5.953 ( 15.035 21.947 8.907) 28.054 6.008 ( 12.865 26.890 14.533) 33.163 6.317 ( 28.823 7.349 -12.254) 32.171 6.888 ( 13.378 24.106 -12.744) 30.372 8.606 ( -1.318 4.073 0.306) 4.292 8.679 ( 1.986 -1.521 -2.526) 3.555 9.236 ( -0.592 -1.702 4.381) 4.737 9.271 ( 0.037 4.412 -0.323) 4.424 9.562 ( 5.175 3.596 -7.399) 9.718 9.707 ( 4.362 0.525 -10.626) 11.499 10.280 ( -4.870 7.859 13.873) 16.672 10.795 ( -8.270 2.803 -10.678) 13.794 10.950 ( 18.951 11.143 0.586) 21.992 11.160 ( 3.947 -7.588 -3.016) 9.069 11.688 ( 0.515 -6.672 -2.363) 7.097 11.791 ( -5.195 -10.720 -5.190) 12.994 12.126 ( -2.074 4.848 11.537) 12.685 12.248 ( 13.272 13.110 2.796) 18.863 12.640 ( 16.153 23.217 5.156) 28.750 13.060 ( 10.931 8.870 9.326) 16.886 13.291 ( 4.445 13.114 -14.494) 20.045 13.815 ( 12.829 11.408 -20.084) 26.421 16.004 ( -7.524 -9.067 40.141) 41.835 16.679 ( -3.201 -1.586 13.922) 14.373 16.747 ( -7.774 -10.597 10.919) 17.087 17.206 ( -1.023 -4.260 -12.940) 13.662 17.350 ( -7.509 -8.313 -4.735) 12.161 17.692 ( -3.577 -6.330 -20.885) 22.114 17.954 ( -12.216 -6.672 0.701) 13.936 18.088 ( -1.514 -11.055 -2.338) 11.401 18.347 ( -7.915 -4.436 -5.178) 10.447 18.444 ( -9.488 -5.734 -8.427) 13.925 19.681 ( -5.500 -7.866 1.365) 9.695 19.738 ( 0.147 -8.288 -0.725) 8.321 19.968 ( -3.852 1.388 1.756) 4.455 20.152 ( -4.857 -1.871 -4.939) 7.176 20.669 ( 0.516 2.625 1.417) 3.027 20.717 ( 4.858 0.705 -0.645) 4.951 20.946 ( -1.011 2.340 2.603) 3.643 21.019 ( 2.180 0.498 -0.159) 2.242 21.116 ( 0.051 1.724 3.583) 3.976 21.207 ( 5.618 -1.106 -0.868) 5.791 21.329 ( -1.353 -0.232 -0.455) 1.447 21.371 ( 2.614 6.356 -3.865) 7.885 21.575 ( -3.185 -7.342 3.453) 8.716 21.731 ( -2.413 -4.349 -3.045) 5.832 21.828 ( -5.711 1.767 1.291) 6.116 21.911 ( -3.796 2.564 -4.024) 6.097 22.080 ( -0.624 -4.127 2.556) 4.895 22.126 ( 3.341 -7.430 0.326) 8.153 22.322 ( -5.134 1.516 3.550) 6.424 22.441 ( -0.842 -0.153 6.389) 6.446 22.623 ( -9.902 6.898 0.384) 12.074 22.894 ( 4.274 -8.905 -4.037) 10.671 23.298 ( 5.764 -15.929 10.360) 19.857 23.823 ( 5.068 1.216 -13.933) 14.876 23.866 ( -2.402 2.807 9.424) 10.122 24.097 ( 2.987 13.453 -3.239) 14.156 24.503 ( 4.020 10.840 13.107) 17.477 24.914 ( 4.089 5.866 -2.809) 7.682 27.323 ( 7.728 8.428 4.964) 12.466 27.536 ( 2.840 2.577 -7.507) 8.430 28.740 ( -5.991 -5.789 3.369) 8.986 28.944 ( -4.405 -8.367 -8.119) 12.463 ======================= Grid point 280 (41/64) ======================= q-point: ( 0.27 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 9.289 11.812 11.969) 19.211 3.407 ( 5.634 12.484 12.808) 18.752 3.623 ( -0.171 5.868 -1.733) 6.121 3.735 ( 0.637 -0.911 -3.265) 3.449 3.854 ( -1.215 3.186 7.904) 8.608 3.983 ( 1.308 5.893 0.364) 6.047 4.096 ( 1.293 6.093 3.619) 7.203 4.221 ( 2.102 4.743 0.679) 5.232 4.359 ( 0.307 -2.175 4.551) 5.053 4.540 ( 10.965 12.957 3.358) 17.303 4.869 ( -3.065 -2.518 -22.278) 22.628 5.143 ( 3.313 13.426 -19.337) 23.772 5.795 ( 25.090 17.226 8.313) 31.550 5.871 ( 23.699 12.593 1.639) 26.887 6.434 ( 19.104 21.757 5.341) 29.443 6.584 ( 21.703 24.498 19.607) 38.152 6.851 ( 26.882 5.864 -10.491) 29.446 7.311 ( 9.644 22.366 -10.031) 26.341 8.607 ( 0.317 0.209 2.793) 2.819 8.716 ( 2.649 -1.216 -1.165) 3.139 9.033 ( -11.138 -5.084 6.409) 13.819 9.181 ( -8.037 -5.766 1.704) 10.037 9.761 ( 7.565 5.096 -8.321) 12.346 9.910 ( 11.497 4.743 -9.622) 15.724 10.238 ( -10.306 11.143 9.704) 18.015 10.618 ( -14.996 3.388 -7.431) 17.076 10.968 ( -9.907 -9.356 6.992) 15.315 11.300 ( 4.062 -4.184 -10.597) 12.096 11.805 ( 23.209 2.539 -1.823) 23.418 11.927 ( 21.461 -2.744 -0.453) 21.641 12.115 ( 3.466 5.904 10.836) 12.818 12.535 ( 8.062 6.758 -2.454) 10.803 13.222 ( 20.271 27.949 0.551) 34.530 13.360 ( 14.590 9.270 3.813) 17.701 13.629 ( 13.305 25.994 -6.710) 29.962 14.142 ( 13.937 9.455 -19.359) 25.659 15.778 ( -9.514 -9.111 34.505) 36.934 16.302 ( -22.409 -24.960 6.820) 34.230 16.582 ( -4.802 -7.739 13.606) 16.374 16.960 ( -17.572 -19.389 4.862) 26.615 17.120 ( -8.128 -4.772 -6.480) 11.438 17.525 ( -7.750 -9.519 -14.602) 19.076 17.727 ( -10.121 -1.431 -9.193) 13.748 17.933 ( -3.160 -11.582 -8.625) 14.782 18.245 ( -7.255 4.229 -5.444) 10.008 18.282 ( -4.288 3.469 -7.716) 9.484 19.526 ( -0.552 -10.737 3.453) 11.292 19.696 ( 1.958 -6.105 -5.434) 8.404 19.941 ( -3.434 4.510 2.023) 6.018 20.059 ( -4.889 0.104 -3.434) 5.975 20.711 ( 1.546 2.382 3.303) 4.356 20.804 ( 4.378 -0.205 -0.146) 4.385 20.907 ( -2.818 0.843 2.859) 4.102 21.025 ( -0.938 -0.812 -1.974) 2.331 21.167 ( 3.031 -0.294 4.345) 5.306 21.265 ( 0.173 -1.936 2.590) 3.238 21.317 ( 3.368 0.885 -0.265) 3.492 21.464 ( 0.972 0.751 -5.641) 5.773 21.550 ( 2.948 2.204 1.323) 3.911 21.659 ( -2.371 1.748 0.553) 2.997 21.772 ( -2.898 2.284 -0.765) 3.768 21.865 ( -4.660 2.944 -3.841) 6.718 22.045 ( -1.521 -0.710 2.178) 2.750 22.136 ( 3.580 -4.913 -0.622) 6.111 22.256 ( -3.450 0.233 3.042) 4.606 22.358 ( -7.463 0.590 -0.436) 7.499 22.567 ( -1.111 0.832 11.284) 11.369 22.853 ( 1.737 -10.390 -2.751) 10.888 23.289 ( 11.214 -16.109 13.442) 23.789 23.812 ( -2.924 -2.546 11.039) 11.700 23.901 ( 1.199 3.051 -11.366) 11.829 24.224 ( -1.680 10.273 -6.825) 12.447 24.677 ( 1.418 14.632 6.382) 16.026 25.012 ( 1.111 5.619 -3.753) 6.848 27.499 ( 3.926 5.017 4.532) 7.818 27.653 ( 8.664 3.746 -3.189) 9.963 28.582 ( -6.840 -5.184 2.021) 8.817 28.804 ( -1.690 -9.208 -9.022) 13.001 ======================= Grid point 281 (42/64) ======================= q-point: ( 0.36 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.463 ( -0.383 4.272 10.679) 11.509 3.555 ( 5.317 3.870 0.761) 6.620 3.645 ( -1.870 3.980 -0.181) 4.401 3.725 ( -1.065 -0.480 -3.567) 3.753 3.884 ( -0.890 4.385 8.514) 9.618 4.086 ( -0.731 12.515 0.733) 12.558 4.171 ( 2.311 2.194 3.162) 4.489 4.273 ( -0.553 -0.482 -1.439) 1.615 4.384 ( 4.262 5.879 3.947) 8.265 4.744 ( -6.863 -3.692 -17.536) 19.190 4.859 ( 5.820 17.331 1.570) 18.349 5.272 ( -2.639 12.749 -16.866) 21.306 6.155 ( 9.962 2.425 6.792) 12.298 6.314 ( 18.055 0.753 1.099) 18.104 6.893 ( 12.092 15.430 5.283) 20.303 7.173 ( 22.389 17.428 11.764) 30.715 7.282 ( 14.764 6.905 -8.594) 18.425 7.617 ( 5.626 14.217 -1.567) 15.370 8.603 ( -2.102 -8.320 6.554) 10.798 8.684 ( 1.410 -3.588 3.547) 5.239 8.904 ( -3.238 -1.575 -0.340) 3.617 8.969 ( -8.247 -1.506 -4.090) 9.327 9.894 ( 5.000 1.980 -1.539) 5.594 10.055 ( 1.014 1.302 -4.164) 4.479 10.189 ( -7.761 10.617 3.853) 13.704 10.431 ( -13.547 10.776 -5.233) 18.084 10.719 ( -8.159 -6.808 8.418) 13.557 11.195 ( -4.874 -5.502 -16.206) 17.795 11.953 ( -1.791 -0.996 17.064) 17.187 12.366 ( 26.667 -0.833 -0.388) 26.683 12.569 ( 26.264 4.218 -3.514) 26.832 12.714 ( 12.847 6.096 -6.008) 15.437 13.692 ( 19.246 7.057 1.059) 20.526 13.794 ( 15.903 16.434 -3.307) 23.107 14.123 ( 12.265 24.688 -0.918) 27.582 14.445 ( 11.189 7.251 -13.722) 19.132 15.468 ( -17.892 -10.679 17.669) 27.319 15.662 ( -21.979 -20.373 1.657) 30.015 16.290 ( -9.123 -22.601 14.363) 28.290 16.588 ( -9.514 -6.176 14.224) 18.193 16.838 ( -19.000 -2.360 0.266) 19.148 17.317 ( -5.018 -8.393 -13.655) 16.795 17.570 ( -8.657 2.025 -11.764) 14.746 17.826 ( 0.653 -6.024 -11.098) 12.644 18.203 ( -4.048 6.718 -3.111) 8.438 18.288 ( -2.249 4.883 -7.925) 9.576 19.456 ( 3.836 -10.293 5.236) 12.168 19.678 ( 3.641 -7.451 -5.649) 10.034 19.934 ( -2.881 4.957 0.711) 5.777 19.998 ( -3.767 2.175 -2.389) 4.963 20.761 ( 1.413 2.488 4.980) 5.743 20.821 ( -1.450 0.884 3.428) 3.825 20.926 ( 2.242 -0.638 -2.218) 3.218 20.979 ( -1.446 -0.429 -2.186) 2.656 21.201 ( 2.390 -3.073 4.190) 5.719 21.255 ( 0.680 0.743 3.193) 3.348 21.399 ( 2.278 0.790 -1.355) 2.766 21.405 ( -2.109 -3.089 -2.884) 4.723 21.630 ( 0.158 4.830 -0.881) 4.912 21.697 ( 0.928 3.527 1.198) 3.838 21.763 ( -1.982 4.132 -3.184) 5.581 21.853 ( 0.301 4.010 -1.887) 4.442 22.012 ( -2.314 0.729 1.644) 2.931 22.114 ( -1.246 -3.887 -2.065) 4.575 22.212 ( -0.998 -1.422 4.794) 5.099 22.277 ( -1.800 -0.665 0.937) 2.136 22.577 ( 3.567 -3.303 9.243) 10.444 22.761 ( 0.141 -10.795 -0.223) 10.799 23.339 ( 10.131 -11.780 17.479) 23.387 23.741 ( -0.297 -5.582 5.181) 7.622 23.927 ( -3.838 7.508 -5.119) 9.865 24.253 ( -3.996 6.921 -7.447) 10.923 24.813 ( -1.679 13.367 0.853) 13.499 25.062 ( -2.344 6.996 -4.065) 8.424 27.566 ( 1.052 2.074 6.853) 7.237 27.864 ( 10.662 3.763 -5.139) 12.419 28.408 ( -6.521 -7.147 3.650) 10.340 28.720 ( 1.569 -8.089 -9.884) 12.868 ======================= Grid point 282 (43/64) ======================= q-point: ( 0.45 0.09 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.471 ( -0.816 1.413 11.237) 11.355 3.623 ( -1.893 3.279 -0.755) 3.860 3.652 ( -0.444 0.770 -1.519) 1.759 3.704 ( -0.505 0.875 -3.759) 3.892 3.897 ( -2.036 3.526 8.200) 9.155 4.146 ( -7.012 12.145 0.158) 14.024 4.210 ( 0.688 -1.192 2.880) 3.192 4.247 ( -0.227 0.392 -0.239) 0.512 4.550 ( -0.585 1.014 -6.650) 6.752 4.579 ( -0.968 1.677 -7.914) 8.148 5.006 ( -7.529 13.041 1.161) 15.103 5.308 ( -5.952 10.309 -14.274) 18.587 6.241 ( 2.220 -3.845 7.316) 8.558 6.464 ( 4.249 -7.359 -3.064) 9.033 7.086 ( -2.333 4.041 3.223) 5.671 7.385 ( -2.776 4.807 -11.310) 12.599 7.597 ( -1.176 2.037 11.298) 11.540 7.681 ( -1.116 1.933 12.794) 12.987 8.520 ( 3.010 -5.213 1.314) 6.161 8.687 ( 2.206 -3.821 -2.316) 4.983 8.768 ( 0.742 -1.286 3.187) 3.516 8.976 ( -1.042 1.805 -6.028) 6.378 9.981 ( -0.733 1.269 -0.389) 1.516 9.996 ( -0.266 0.461 -3.125) 3.170 10.236 ( -6.349 10.996 6.806) 14.406 10.320 ( -9.027 15.636 0.219) 18.056 10.632 ( 1.295 -2.243 2.785) 3.803 11.116 ( 0.472 -0.817 -17.915) 17.940 11.929 ( -0.700 1.212 18.268) 18.321 12.539 ( 5.189 -8.987 -7.086) 12.566 12.804 ( 0.403 -0.697 2.105) 2.254 12.993 ( 6.059 -10.494 -4.674) 12.988 13.969 ( 0.692 -1.198 -1.006) 1.710 14.013 ( 2.699 -4.675 -8.321) 9.919 14.462 ( -0.485 0.839 2.449) 2.633 14.464 ( 3.751 -6.496 1.065) 7.577 15.231 ( -7.251 12.558 -1.085) 14.542 15.307 ( -1.801 3.120 -6.358) 7.308 16.089 ( 6.153 -10.657 24.901) 27.775 16.474 ( 1.526 -2.643 11.329) 11.732 16.620 ( -4.643 8.042 4.962) 10.529 17.231 ( 2.007 -3.476 -12.233) 12.874 17.504 ( -3.361 5.821 -12.401) 14.106 17.808 ( 2.237 -3.874 -12.184) 12.979 18.207 ( -3.709 6.424 -2.221) 7.743 18.291 ( -2.396 4.150 -7.598) 8.983 19.441 ( 5.788 -10.025 5.912) 12.998 19.673 ( 4.601 -7.969 -5.197) 10.568 19.936 ( -2.815 4.875 -0.009) 5.629 19.976 ( -2.179 3.774 -1.832) 4.727 20.793 ( -1.183 2.050 6.663) 7.071 20.807 ( -0.741 1.283 2.278) 2.717 20.920 ( 0.662 -1.147 -1.717) 2.168 20.989 ( -0.326 0.565 -2.495) 2.579 21.213 ( 2.745 -4.755 1.361) 5.657 21.253 ( 0.502 -0.869 2.845) 3.017 21.364 ( -0.369 0.639 0.877) 1.146 21.429 ( -0.751 1.302 -2.216) 2.678 21.664 ( -1.781 3.085 -2.512) 4.358 21.689 ( -0.461 0.799 -2.437) 2.606 21.795 ( -2.562 4.437 0.374) 5.137 21.894 ( -2.132 3.693 -1.379) 4.482 21.995 ( -0.728 1.261 1.192) 1.882 22.067 ( 1.347 -2.333 -1.577) 3.122 22.198 ( 0.860 -1.489 6.234) 6.467 22.263 ( 0.550 -0.952 1.242) 1.659 22.606 ( 3.176 -5.501 6.379) 9.002 22.691 ( 4.725 -8.184 1.887) 9.636 23.372 ( 6.355 -11.007 20.043) 23.733 23.709 ( 3.071 -5.319 0.425) 6.157 23.929 ( -5.501 9.527 -1.956) 11.174 24.248 ( -3.777 6.542 -7.135) 10.391 24.866 ( -5.828 10.095 -1.322) 11.732 25.074 ( -4.408 7.634 -3.954) 9.661 27.585 ( -0.384 0.666 8.148) 8.184 28.007 ( 0.597 -1.034 -11.506) 11.568 28.285 ( 2.646 -4.582 9.530) 10.900 28.695 ( 3.893 -6.742 -10.376) 12.972 ======================= Grid point 291 (44/64) ======================= q-point: ( 0.18 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.278 ( 7.587 13.141 13.354) 20.213 3.446 ( 7.246 12.551 11.027) 18.210 3.671 ( 2.983 5.167 -0.193) 5.970 3.713 ( -0.037 -0.065 -2.422) 2.423 3.887 ( 1.086 1.880 7.414) 7.726 3.994 ( 2.887 5.000 -0.807) 5.829 4.135 ( 1.873 3.244 2.920) 4.749 4.255 ( 4.024 6.970 -2.481) 8.422 4.389 ( 7.055 12.220 12.310) 18.725 4.437 ( 3.628 6.283 1.865) 7.491 4.889 ( -0.628 -1.087 -20.082) 20.121 5.166 ( 10.075 17.451 -13.691) 24.361 5.683 ( 15.572 26.971 2.343) 31.231 5.718 ( 10.120 17.529 -0.434) 20.245 6.395 ( 13.530 23.435 0.554) 27.066 6.537 ( 11.090 19.208 -5.514) 22.855 6.588 ( 16.770 29.047 19.607) 38.851 7.345 ( 12.875 22.301 -10.795) 27.922 8.612 ( -1.803 -3.123 1.578) 3.936 8.687 ( 0.613 1.062 0.203) 1.243 9.091 ( -5.481 -9.493 9.440) 14.466 9.242 ( -3.944 -6.832 -1.489) 8.028 9.718 ( 5.249 9.092 -8.607) 13.576 9.825 ( 5.900 10.219 -10.166) 15.575 10.438 ( 3.356 5.813 10.810) 12.724 10.862 ( 0.826 1.430 -9.816) 9.954 10.954 ( -5.660 -9.804 6.486) 13.047 11.163 ( 5.273 9.134 -5.314) 11.810 11.638 ( -0.668 -1.157 -7.763) 7.877 11.642 ( 2.011 3.483 -3.775) 5.516 12.160 ( 0.436 0.755 15.916) 15.940 12.482 ( 5.520 9.561 1.987) 11.217 13.198 ( 18.274 31.651 -0.264) 36.548 13.288 ( 7.736 13.399 3.993) 15.979 13.658 ( 14.653 25.379 -9.711) 30.873 14.056 ( 7.853 13.601 -19.683) 25.181 15.812 ( -6.159 -10.667 36.077) 38.122 16.365 ( -16.459 -28.509 6.959) 33.646 16.587 ( -5.691 -9.856 12.431) 16.854 17.019 ( -13.086 -22.666 6.668) 27.009 17.140 ( -1.587 -2.749 -7.342) 7.999 17.558 ( -5.140 -8.903 -18.626) 21.275 17.816 ( -4.223 -7.315 -8.371) 11.892 17.884 ( -5.213 -9.028 -6.325) 12.194 18.333 ( 1.483 2.568 -5.406) 6.165 18.363 ( -1.549 -2.683 -7.702) 8.302 19.467 ( -6.148 -10.649 4.262) 13.014 19.643 ( -2.457 -4.255 -6.289) 7.981 19.998 ( 0.703 1.217 2.177) 2.591 20.109 ( -1.502 -2.602 -3.194) 4.385 20.725 ( 1.401 2.427 0.619) 2.870 20.742 ( 1.709 2.959 0.890) 3.531 20.943 ( -0.928 -1.607 4.282) 4.667 21.029 ( -0.610 -1.056 -1.235) 1.736 21.155 ( 2.362 4.091 2.276) 5.243 21.200 ( -0.558 -0.967 2.803) 3.017 21.321 ( -0.733 -1.270 1.943) 2.434 21.461 ( 0.324 0.562 -5.209) 5.250 21.531 ( 2.793 4.837 -0.153) 5.587 21.671 ( 0.107 0.186 -4.614) 4.619 21.858 ( 0.071 0.124 1.989) 1.995 21.938 ( -0.153 -0.265 -3.535) 3.548 22.035 ( -0.491 -0.851 1.662) 1.931 22.055 ( -0.138 -0.240 0.063) 0.284 22.316 ( -1.281 -2.218 5.389) 5.966 22.423 ( -1.283 -2.223 6.017) 6.541 22.639 ( -6.789 -11.759 2.372) 13.784 22.726 ( -1.052 -1.823 -2.838) 3.533 23.083 ( -2.165 -3.750 16.605) 17.160 23.836 ( -2.374 -4.112 15.962) 16.653 23.873 ( 2.294 3.972 -19.990) 20.509 24.307 ( 3.780 6.547 -9.246) 11.943 24.748 ( 7.595 13.155 9.267) 17.793 25.038 ( 4.023 6.967 -1.347) 8.157 27.494 ( 5.105 8.843 4.010) 10.970 27.589 ( 1.765 3.057 -3.033) 4.654 28.629 ( -3.347 -5.797 0.055) 6.694 28.752 ( -6.324 -10.953 -7.248) 14.577 ======================= Grid point 292 (45/64) ======================= q-point: ( 0.27 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.496 ( 4.347 7.361 3.520) 9.246 3.528 ( 0.490 1.706 8.602) 8.784 3.701 ( -1.296 1.479 -0.642) 2.069 3.734 ( 0.487 1.139 -0.568) 1.362 3.939 ( 0.359 4.553 8.444) 9.600 4.135 ( 4.775 8.678 -0.734) 9.933 4.176 ( 1.147 1.514 3.119) 3.652 4.262 ( -0.006 -2.431 0.618) 2.508 4.548 ( -5.419 21.640 1.471) 22.357 4.776 ( 4.562 1.504 -12.286) 13.192 4.896 ( 9.367 14.879 -1.450) 17.642 5.454 ( 1.668 18.268 -18.172) 25.821 6.003 ( 11.738 2.585 4.726) 12.915 6.082 ( 11.204 11.540 3.715) 16.508 6.832 ( 12.278 19.269 -1.393) 22.891 6.982 ( 21.493 13.122 -4.864) 25.648 7.111 ( 15.151 22.110 16.861) 31.666 7.711 ( 5.930 18.728 -7.848) 21.154 8.540 ( -0.698 -6.622 5.049) 8.357 8.646 ( -2.744 -6.504 3.727) 7.983 8.923 ( -4.500 -7.376 7.375) 11.360 9.081 ( -7.090 -4.624 -5.725) 10.219 9.857 ( 3.768 5.125 -3.813) 7.416 10.023 ( 5.680 7.257 -8.802) 12.744 10.449 ( -6.399 4.521 8.538) 11.588 10.734 ( -12.857 9.087 1.902) 15.859 10.889 ( -8.319 4.315 -0.945) 9.419 11.189 ( -1.749 -5.681 -12.876) 14.182 11.830 ( 14.893 -0.562 3.578) 15.327 11.896 ( 24.761 2.701 -2.754) 25.060 12.247 ( 9.786 8.044 10.913) 16.720 12.624 ( 5.479 2.961 0.268) 6.233 13.543 ( 9.416 10.465 0.624) 14.091 13.747 ( 13.342 21.662 -6.587) 26.280 14.175 ( 11.237 25.752 -6.118) 28.756 14.329 ( 10.899 8.569 -12.528) 18.686 15.599 ( -8.418 -7.630 22.360) 25.081 15.763 ( -17.769 -26.366 4.446) 32.104 16.243 ( -12.272 -23.806 12.565) 29.584 16.658 ( -9.241 -12.069 15.746) 21.886 17.033 ( -8.399 -5.957 -6.614) 12.238 17.345 ( -7.760 -9.380 -21.810) 24.977 17.699 ( -5.515 -0.942 -6.208) 8.357 17.761 ( -0.136 -5.793 -5.821) 8.213 18.337 ( -3.070 5.193 -5.076) 7.884 18.391 ( -1.254 6.574 -7.134) 9.782 19.305 ( -0.402 -11.498 6.335) 13.133 19.560 ( 0.008 -8.174 -7.043) 10.790 20.012 ( -1.214 2.797 0.455) 3.083 20.064 ( -2.184 0.147 -2.338) 3.203 20.772 ( 0.812 4.126 2.310) 4.798 20.818 ( 3.665 1.524 0.626) 4.018 20.917 ( -1.274 0.649 3.209) 3.513 20.993 ( -1.251 -1.639 -0.256) 2.078 21.139 ( -0.423 -4.980 4.207) 6.533 21.251 ( 2.384 3.337 0.647) 4.152 21.358 ( 3.116 2.752 0.516) 4.189 21.402 ( -2.167 -4.675 -5.719) 7.698 21.662 ( 3.399 6.968 -0.777) 7.792 21.732 ( 1.043 4.775 -1.055) 5.000 21.845 ( -2.400 3.776 0.981) 4.580 21.901 ( -2.754 -0.283 -2.252) 3.569 22.026 ( -0.153 -1.031 1.094) 1.511 22.069 ( 1.907 -2.617 -0.898) 3.360 22.249 ( -4.020 -1.299 5.070) 6.600 22.330 ( -6.359 -2.951 2.241) 7.360 22.468 ( 1.776 -9.648 6.482) 11.758 22.644 ( -0.689 -10.148 -0.799) 10.202 23.136 ( 6.703 0.480 21.686) 22.704 23.751 ( -3.515 -1.647 10.636) 11.322 23.955 ( 3.313 2.088 -16.099) 16.568 24.353 ( -2.119 2.195 -14.726) 15.039 24.971 ( 2.212 14.781 7.220) 16.598 25.165 ( 1.120 9.411 1.001) 9.530 27.600 ( -1.061 5.737 3.531) 6.820 27.713 ( 10.173 2.449 -0.759) 10.492 28.468 ( -9.523 -7.194 -1.770) 12.065 28.589 ( 1.580 -11.946 -6.689) 13.783 ======================= Grid point 293 (46/64) ======================= q-point: ( 0.36 0.18 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 364 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.504 ( -1.390 1.162 12.531) 12.662 3.631 ( 3.112 3.340 -1.555) 4.823 3.685 ( -1.748 0.045 -1.360) 2.215 3.737 ( -1.314 1.690 -1.326) 2.518 3.975 ( -1.653 4.889 8.855) 10.249 4.174 ( 1.164 -1.239 2.872) 3.338 4.193 ( 0.267 -3.490 1.048) 3.654 4.405 ( 5.285 14.517 -6.590) 16.796 4.603 ( -8.125 11.815 -4.402) 14.999 4.693 ( -6.906 0.739 -11.642) 13.556 5.261 ( 2.190 23.006 3.076) 23.314 5.548 ( -8.151 14.107 -11.143) 19.739 6.137 ( 5.688 -4.071 5.147) 8.684 6.305 ( 7.712 -0.076 -2.368) 8.068 7.116 ( 4.954 7.976 1.041) 9.447 7.360 ( 10.972 1.992 -10.103) 15.047 7.544 ( 13.160 17.916 15.610) 27.163 7.835 ( -8.598 8.209 3.918) 12.517 8.453 ( -1.909 -6.590 7.381) 10.077 8.574 ( 6.223 -5.813 1.604) 8.666 8.754 ( -5.825 -10.642 1.254) 12.197 8.978 ( -0.708 -2.268 -10.258) 10.529 9.970 ( 3.475 5.230 3.314) 7.100 10.092 ( -4.557 4.804 -4.459) 7.983 10.415 ( -0.355 2.330 8.137) 8.472 10.674 ( -9.015 15.451 0.479) 17.895 10.744 ( -17.027 14.650 -0.194) 22.463 11.109 ( -1.301 -3.067 -18.093) 18.397 11.940 ( 1.521 -0.129 15.547) 15.622 12.276 ( 16.677 -6.818 -2.329) 18.166 12.643 ( 21.224 2.896 2.251) 21.538 12.754 ( 8.062 -1.733 0.829) 8.288 13.821 ( 13.622 7.033 -3.310) 15.684 13.987 ( 0.725 2.603 -10.508) 10.850 14.311 ( -1.438 -11.777 1.355) 11.942 14.431 ( -0.100 -8.519 -6.030) 10.438 15.442 ( -5.516 8.530 2.298) 10.415 15.538 ( -6.125 14.474 -1.234) 15.765 15.933 ( -1.049 -13.184 25.569) 28.787 16.429 ( -3.855 -10.184 13.400) 17.267 16.768 ( -10.710 -6.641 -2.066) 12.770 17.192 ( -1.868 -4.694 -26.463) 26.941 17.623 ( -4.490 3.458 -3.080) 6.450 17.745 ( 1.487 -2.185 -5.502) 6.103 18.348 ( -3.925 8.215 -3.693) 9.825 18.408 ( -4.259 7.180 -6.790) 10.761 19.229 ( 5.055 -12.569 7.171) 15.329 19.502 ( 4.112 -10.264 -6.346) 12.749 20.017 ( -1.697 3.348 -0.871) 3.853 20.040 ( -1.834 1.797 -2.001) 3.255 20.824 ( 0.507 3.813 4.192) 5.690 20.858 ( -1.705 2.661 2.021) 3.751 20.910 ( -0.454 0.349 0.974) 1.130 20.987 ( 1.124 0.482 0.794) 1.458 21.114 ( 2.916 -4.709 1.669) 5.784 21.241 ( -1.643 -3.865 -3.229) 5.298 21.379 ( 0.155 1.879 0.961) 2.116 21.432 ( 2.040 1.546 -1.010) 2.752 21.719 ( -1.570 3.278 -0.797) 3.721 21.747 ( -3.074 2.512 -1.355) 4.195 21.854 ( 0.593 2.697 -0.393) 2.789 21.933 ( 4.108 2.225 -0.883) 4.755 22.002 ( -1.771 -0.286 0.799) 1.963 22.031 ( -2.277 -4.071 -0.759) 4.726 22.198 ( -1.196 0.557 5.302) 5.464 22.236 ( -0.894 -3.318 2.173) 4.066 22.466 ( 6.111 -6.171 5.513) 10.287 22.540 ( 0.365 -10.347 2.271) 10.600 23.233 ( 4.099 -1.194 26.297) 26.642 23.701 ( -2.889 2.466 1.559) 4.106 24.011 ( 1.341 1.030 -10.659) 10.792 24.322 ( -1.928 0.495 -17.639) 17.751 25.092 ( -4.588 14.338 6.079) 16.235 25.241 ( -3.363 9.925 2.143) 10.696 27.619 ( -1.815 3.986 5.412) 6.962 27.917 ( 10.361 1.807 -6.121) 12.169 28.233 ( -6.268 -10.915 3.513) 13.068 28.537 ( 4.264 -9.832 -8.552) 13.711 ======================= Grid point 303 (47/64) ======================= q-point: ( 0.27 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.525 ( -0.111 -0.192 13.413) 13.415 3.617 ( 2.505 4.339 -1.660) 5.277 3.699 ( -0.464 -0.803 -1.483) 1.749 3.759 ( 0.461 0.798 -0.382) 0.997 4.018 ( 2.022 3.502 8.571) 9.477 4.161 ( -0.882 -1.528 3.955) 4.331 4.166 ( -1.764 -3.055 1.461) 3.818 4.402 ( 7.661 13.269 -4.677) 16.020 4.728 ( -1.743 -3.019 -12.508) 12.985 4.838 ( 3.027 5.242 -15.737) 16.861 5.316 ( 14.054 24.342 9.583) 29.697 5.770 ( 6.068 10.510 -11.159) 16.487 5.997 ( -0.829 -1.436 8.259) 8.424 6.258 ( 4.138 7.167 -3.191) 8.869 7.149 ( 5.882 10.189 -5.204) 12.864 7.183 ( 5.693 9.860 -4.769) 12.344 7.532 ( 11.904 20.618 17.600) 29.607 7.996 ( 4.840 8.384 -1.357) 9.776 8.401 ( -3.401 -5.892 7.090) 9.826 8.490 ( -4.217 -7.304 3.586) 9.164 8.746 ( -6.352 -11.002 3.311) 13.128 8.976 ( -3.389 -5.869 -11.702) 13.523 9.967 ( 3.849 6.667 6.023) 9.775 10.178 ( 4.070 7.049 -7.816) 11.285 10.379 ( -3.828 -6.630 10.302) 12.835 10.965 ( 4.762 8.248 1.760) 9.685 10.989 ( 2.712 4.697 -8.759) 10.303 11.110 ( -1.796 -3.111 -11.593) 12.137 11.882 ( 3.783 6.552 9.270) 11.966 12.021 ( 4.979 8.625 -2.242) 10.208 12.449 ( 7.772 13.462 8.831) 17.878 12.671 ( 1.326 2.297 4.420) 5.155 13.743 ( 6.059 10.494 -3.485) 12.608 14.000 ( 2.357 4.082 -15.076) 15.796 14.269 ( -8.293 -14.364 1.138) 16.625 14.381 ( -5.071 -8.783 -6.705) 12.158 15.542 ( 3.969 6.875 2.955) 8.471 15.662 ( 9.166 15.877 1.785) 18.420 15.875 ( -7.054 -12.218 26.124) 29.690 16.412 ( -7.864 -13.622 14.396) 21.322 16.825 ( -9.294 -16.098 -7.192) 19.931 17.189 ( -3.357 -5.815 -30.900) 31.621 17.691 ( -0.195 -0.338 -0.656) 0.763 17.715 ( 0.242 0.420 -2.775) 2.817 18.441 ( 2.996 5.189 -3.710) 7.047 18.498 ( 2.277 3.944 -6.047) 7.570 19.105 ( -4.944 -8.563 7.778) 12.580 19.401 ( -4.235 -7.335 -7.065) 11.029 20.049 ( 0.649 1.123 -1.107) 1.705 20.064 ( -0.044 -0.076 -2.119) 2.120 20.845 ( 1.160 2.009 2.886) 3.703 20.876 ( 3.031 5.250 0.256) 6.067 20.942 ( 0.902 1.563 3.687) 4.104 20.973 ( -0.220 -0.382 2.202) 2.246 21.053 ( -1.746 -3.024 2.640) 4.378 21.234 ( -3.334 -5.774 -5.774) 8.820 21.394 ( 2.049 3.548 0.058) 4.098 21.410 ( 1.416 2.452 0.779) 2.937 21.773 ( 2.181 3.777 -1.521) 4.619 21.779 ( -1.571 -2.720 1.239) 3.377 21.857 ( -0.166 -0.288 -3.796) 3.811 21.868 ( -0.914 -1.583 -0.902) 2.039 22.033 ( 0.163 0.282 0.847) 0.907 22.048 ( 1.173 2.032 0.641) 2.432 22.181 ( -2.379 -4.120 4.600) 6.618 22.283 ( -2.117 -3.667 0.580) 4.274 22.343 ( -0.333 -0.577 7.850) 7.878 22.489 ( -3.490 -6.044 4.178) 8.134 23.195 ( 1.871 3.240 27.054) 27.311 23.767 ( 1.642 2.844 3.057) 4.486 23.977 ( 0.045 0.077 -15.386) 15.387 24.340 ( -1.235 -2.140 -20.007) 20.159 25.214 ( 5.607 9.711 7.873) 13.701 25.323 ( 3.394 5.878 4.722) 8.268 27.715 ( 2.343 4.058 -0.262) 4.693 27.766 ( 3.224 5.585 1.859) 6.711 28.253 ( -8.179 -14.166 -1.716) 16.447 28.430 ( -2.589 -4.485 -6.664) 8.439 ======================= Grid point 304 (48/64) ======================= q-point: ( 0.36 0.27 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 204 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.523 ( -0.409 0.708 15.505) 15.526 3.672 ( -0.173 0.299 -1.785) 1.818 3.679 ( -0.222 0.385 -2.688) 2.725 3.765 ( -0.521 0.903 -0.853) 1.347 4.060 ( -1.987 3.442 9.312) 10.125 4.130 ( 1.151 -1.993 1.819) 2.933 4.139 ( 1.261 -2.184 3.749) 4.518 4.616 ( -1.305 2.261 -6.554) 7.055 4.639 ( -2.121 3.674 -10.750) 11.557 4.859 ( -3.678 6.371 -20.272) 21.566 5.678 ( -8.980 15.554 5.595) 18.812 5.742 ( -4.703 8.145 3.729) 10.118 6.006 ( 5.887 -10.196 5.843) 13.143 6.344 ( -1.979 3.427 -11.609) 12.265 7.219 ( -2.110 3.654 -1.860) 4.612 7.312 ( 3.052 -5.286 -6.120) 8.643 7.839 ( -5.214 9.031 14.109) 17.544 7.959 ( -3.686 6.384 10.586) 12.900 8.354 ( 1.650 -2.858 8.332) 8.961 8.514 ( 4.374 -7.576 -0.775) 8.783 8.530 ( 2.261 -3.915 -2.574) 5.203 8.908 ( 1.799 -3.116 -14.536) 14.975 10.073 ( -2.646 4.584 17.399) 18.186 10.206 ( -3.296 5.709 -4.611) 8.045 10.326 ( 3.998 -6.924 1.358) 8.110 11.015 ( -4.935 8.548 -9.948) 14.014 11.033 ( -7.589 13.144 0.004) 15.177 11.090 ( -1.213 2.101 -11.574) 11.826 11.970 ( -2.282 3.953 11.036) 11.943 12.128 ( 4.635 -8.027 0.986) 9.322 12.668 ( 1.062 -1.839 4.718) 5.174 12.683 ( 1.137 -1.970 7.866) 8.188 13.910 ( 5.017 -8.690 -1.143) 10.099 13.930 ( -0.782 1.354 -3.472) 3.808 14.068 ( 0.213 -0.369 -10.551) 10.560 14.208 ( 6.486 -11.234 -12.014) 17.681 15.708 ( -6.959 12.053 13.479) 19.375 15.781 ( 0.490 -0.849 22.728) 22.749 15.921 ( -7.741 13.407 -2.574) 15.694 16.247 ( 2.223 -3.851 8.483) 9.578 16.559 ( 7.857 -13.609 -5.183) 16.547 17.133 ( 0.830 -1.438 -34.534) 34.574 17.689 ( -1.627 2.818 0.389) 3.277 17.725 ( 0.377 -0.653 -0.840) 1.129 18.503 ( -3.772 6.534 -3.368) 8.262 18.535 ( -2.615 4.530 -4.984) 7.224 19.013 ( 4.618 -7.998 8.171) 12.331 19.321 ( 3.841 -6.653 -7.046) 10.425 20.059 ( -0.620 1.074 -1.854) 2.230 20.063 ( -0.331 0.574 -1.930) 2.040 20.867 ( -0.516 0.894 4.966) 5.073 20.942 ( -1.256 2.175 3.582) 4.374 20.943 ( -2.835 4.910 -0.536) 5.695 20.990 ( -0.010 0.018 3.556) 3.556 21.038 ( 1.730 -2.996 0.256) 3.469 21.141 ( 2.963 -5.133 -4.683) 7.554 21.427 ( -1.257 2.177 1.100) 2.743 21.449 ( -0.014 0.025 -0.029) 0.041 21.721 ( 1.098 -1.901 0.671) 2.295 21.790 ( -0.421 0.729 -2.817) 2.940 21.851 ( 0.036 -0.062 -2.298) 2.299 21.878 ( 1.839 -3.185 -3.009) 4.752 22.053 ( -2.253 3.902 2.503) 5.154 22.060 ( -1.952 3.381 1.567) 4.206 22.150 ( 2.335 -4.044 3.239) 5.683 22.229 ( -0.411 0.712 0.842) 1.177 22.374 ( 1.734 -3.003 6.020) 6.947 22.408 ( 1.854 -3.211 7.719) 8.563 23.227 ( 0.001 -0.002 29.836) 29.836 23.811 ( -4.153 7.193 -4.746) 9.566 23.969 ( 2.754 -4.769 -10.541) 11.893 24.313 ( 0.339 -0.587 -22.202) 22.213 25.315 ( -4.394 7.611 7.834) 11.773 25.376 ( -1.697 2.939 6.216) 7.082 27.738 ( -4.848 8.396 0.728) 9.722 27.914 ( 2.677 -4.637 -8.196) 9.790 28.031 ( 3.783 -6.553 8.168) 11.134 28.387 ( 2.673 -4.629 -8.212) 9.799 ======================= Grid point 399 (49/64) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( -0.000 0.000 -29.427) 29.427 2.395 ( 0.000 0.000 -29.427) 29.427 2.395 ( 0.000 0.000 29.427) 29.427 2.395 ( 0.000 -0.000 29.427) 29.427 3.945 ( 0.000 0.000 -1.190) 1.190 3.945 ( 0.000 -0.000 -1.190) 1.190 3.945 ( 0.000 -0.000 1.190) 1.190 3.945 ( 0.000 -0.000 1.190) 1.190 4.308 ( 0.000 0.000 -13.648) 13.648 4.308 ( 0.000 0.000 13.648) 13.648 4.548 ( 0.000 -0.000 -21.320) 21.320 4.548 ( 0.000 -0.000 21.320) 21.320 5.131 ( 0.000 0.000 -50.222) 50.222 5.131 ( 0.000 0.000 50.222) 50.222 5.160 ( 0.000 0.000 -16.266) 16.266 5.160 ( -0.000 0.000 -16.266) 16.266 5.160 ( -0.000 0.000 16.266) 16.266 5.160 ( 0.000 0.000 16.266) 16.266 8.584 ( 0.000 0.000 -6.339) 6.339 8.584 ( 0.000 -0.000 -6.339) 6.339 8.584 ( 0.000 0.000 6.339) 6.339 8.584 ( 0.000 0.000 6.339) 6.339 9.917 ( 0.000 0.000 -5.948) 5.948 9.917 ( 0.000 0.000 5.948) 5.948 10.540 ( 0.000 0.000 -18.590) 18.590 10.540 ( 0.000 0.000 -18.590) 18.590 10.540 ( 0.000 -0.000 18.590) 18.590 10.540 ( 0.000 0.000 18.590) 18.590 11.617 ( 0.000 -0.000 -3.621) 3.621 11.617 ( -0.000 -0.000 3.621) 3.621 12.526 ( -0.000 -0.000 -5.503) 5.503 12.526 ( 0.000 0.000 5.503) 5.503 12.780 ( 0.000 -0.000 -20.437) 20.437 12.780 ( 0.000 -0.000 -20.437) 20.437 12.780 ( -0.000 0.000 20.437) 20.437 12.780 ( 0.000 -0.000 20.437) 20.437 16.940 ( -0.000 0.000 -10.340) 10.340 16.940 ( 0.000 -0.000 -10.340) 10.340 16.940 ( 0.000 0.000 10.340) 10.340 16.940 ( 0.000 0.000 10.340) 10.340 17.237 ( 0.000 0.000 -43.337) 43.337 17.237 ( 0.000 0.000 43.337) 43.337 18.605 ( 0.000 0.000 -8.454) 8.454 18.605 ( 0.000 -0.000 -8.454) 8.454 18.605 ( -0.000 -0.000 8.454) 8.454 18.605 ( 0.000 0.000 8.454) 8.454 20.173 ( 0.000 -0.000 -15.508) 15.508 20.173 ( 0.000 0.000 -15.508) 15.508 20.173 ( -0.000 0.000 15.508) 15.508 20.173 ( 0.000 0.000 15.508) 15.508 20.584 ( 0.000 -0.000 -0.933) 0.933 20.584 ( 0.000 0.000 0.933) 0.933 20.846 ( 0.000 0.000 -1.504) 1.504 20.846 ( 0.000 -0.000 -1.504) 1.504 20.846 ( 0.000 0.000 1.504) 1.504 20.846 ( -0.000 0.000 1.504) 1.504 21.581 ( 0.000 -0.000 -8.329) 8.329 21.581 ( 0.000 0.000 8.329) 8.329 21.928 ( -0.000 -0.000 -0.407) 0.407 21.928 ( 0.000 -0.000 -0.407) 0.407 21.928 ( 0.000 0.000 0.407) 0.407 21.928 ( 0.000 0.000 0.407) 0.407 22.244 ( -0.000 0.000 -11.838) 11.838 22.244 ( 0.000 0.000 11.838) 11.838 22.561 ( 0.000 0.000 -7.077) 7.077 22.561 ( 0.000 0.000 -7.077) 7.077 22.561 ( 0.000 0.000 7.077) 7.077 22.561 ( -0.000 -0.000 7.077) 7.077 23.682 ( 0.000 -0.000 -9.517) 9.517 23.682 ( -0.000 0.000 -9.517) 9.517 23.682 ( 0.000 0.000 9.517) 9.517 23.682 ( 0.000 0.000 9.517) 9.517 24.412 ( -0.000 0.000 -11.986) 11.986 24.412 ( 0.000 0.000 11.986) 11.986 27.132 ( 0.000 -0.000 -14.418) 14.418 27.132 ( 0.000 0.000 14.418) 14.418 29.187 ( 0.000 0.000 -5.370) 5.370 29.187 ( 0.000 0.000 5.370) 5.370 ======================= Grid point 401 (50/64) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.567 ( 14.421 8.326 -26.092) 30.953 2.567 ( 14.421 8.326 26.092) 30.953 2.808 ( 31.177 18.000 -25.865) 44.329 2.808 ( 31.177 18.000 25.865) 44.329 3.931 ( -1.089 -0.629 -1.444) 1.915 3.931 ( -1.089 -0.629 1.444) 1.915 3.956 ( 1.189 0.687 -0.901) 1.643 3.956 ( 1.189 0.687 0.901) 1.643 4.281 ( 0.579 0.334 -10.134) 10.156 4.281 ( 0.579 0.334 10.134) 10.156 4.528 ( -1.107 -0.639 -6.673) 6.794 4.528 ( -1.107 -0.639 6.673) 6.794 4.987 ( -5.559 -3.210 -30.971) 31.629 4.987 ( -5.559 -3.210 30.971) 31.629 5.353 ( 16.177 9.340 -7.550) 20.147 5.353 ( 16.177 9.340 7.550) 20.147 5.507 ( 21.955 12.676 -32.229) 41.005 5.507 ( 21.955 12.676 32.229) 41.005 8.589 ( 0.443 0.256 -5.823) 5.845 8.589 ( 0.443 0.256 5.823) 5.845 8.736 ( 12.922 7.461 -5.021) 15.744 8.736 ( 12.922 7.461 5.021) 15.744 9.823 ( -7.607 -4.392 -3.307) 9.385 9.823 ( -7.607 -4.392 3.307) 9.385 10.543 ( -0.081 -0.047 -18.059) 18.059 10.543 ( -0.081 -0.047 18.059) 18.059 10.650 ( 9.310 5.375 -18.060) 21.017 10.650 ( 9.310 5.375 18.060) 21.017 11.723 ( 9.543 5.509 -3.463) 11.550 11.723 ( 9.543 5.509 3.463) 11.550 12.289 ( -15.829 -9.139 -2.955) 18.515 12.289 ( -15.829 -9.139 2.955) 18.515 12.764 ( -1.244 -0.718 -20.940) 20.989 12.764 ( -1.244 -0.718 20.940) 20.989 12.964 ( 11.671 6.738 -17.362) 21.978 12.964 ( 11.671 6.738 17.362) 21.978 16.946 ( 0.497 0.287 -11.987) 12.001 16.946 ( 0.497 0.287 11.987) 12.001 16.959 ( 0.040 0.023 -3.929) 3.929 16.959 ( 0.040 0.023 3.929) 3.929 17.223 ( 0.046 0.027 -32.550) 32.550 17.223 ( 0.046 0.027 32.550) 32.550 18.528 ( -6.850 -3.955 -9.187) 12.123 18.528 ( -6.850 -3.955 9.187) 12.123 18.559 ( -4.463 -2.577 -9.619) 10.912 18.559 ( -4.463 -2.577 9.619) 10.912 20.075 ( -8.058 -4.653 -13.001) 15.988 20.075 ( -8.058 -4.653 13.001) 15.988 20.132 ( -3.294 -1.902 -13.320) 13.853 20.132 ( -3.294 -1.902 13.320) 13.853 20.608 ( 2.020 1.166 -0.811) 2.469 20.608 ( 2.020 1.166 0.811) 2.469 20.885 ( 3.015 1.741 -3.917) 5.241 20.885 ( 3.015 1.741 3.917) 5.241 20.914 ( 5.789 3.342 -3.904) 7.741 20.914 ( 5.789 3.342 3.904) 7.741 21.500 ( -5.766 -3.329 -3.759) 7.645 21.500 ( -5.766 -3.329 3.759) 7.645 21.851 ( -4.632 -2.675 -2.029) 5.721 21.851 ( -4.632 -2.675 2.029) 5.721 21.905 ( -2.033 -1.174 -0.912) 2.518 21.905 ( -2.033 -1.174 0.912) 2.518 22.300 ( 0.819 0.473 -3.643) 3.764 22.300 ( 0.819 0.473 3.643) 3.764 22.490 ( -5.826 -3.364 -8.177) 10.589 22.490 ( -5.826 -3.364 8.177) 10.589 22.615 ( 5.391 3.113 -12.944) 14.363 22.615 ( 5.391 3.113 12.944) 14.363 23.672 ( 0.433 0.250 -6.472) 6.492 23.672 ( 0.433 0.250 6.472) 6.492 23.712 ( 2.263 1.307 -9.535) 9.886 23.712 ( 2.263 1.307 9.535) 9.886 24.519 ( 7.710 4.451 -10.924) 14.092 24.519 ( 7.710 4.451 10.924) 14.092 27.179 ( 4.167 2.406 -12.579) 13.468 27.179 ( 4.167 2.406 12.579) 13.468 29.111 ( -6.324 -3.651 -5.189) 8.958 29.111 ( -6.324 -3.651 5.189) 8.958 ======================= Grid point 403 (51/64) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.963 ( 19.307 11.147 -19.443) 29.581 2.963 ( 19.307 11.147 19.443) 29.581 3.414 ( 16.686 9.633 -22.593) 29.693 3.414 ( 16.686 9.633 22.593) 29.693 3.907 ( -0.816 -0.471 -0.512) 1.072 3.907 ( -0.816 -0.471 0.512) 1.072 4.013 ( 3.894 2.248 -6.198) 7.657 4.013 ( 3.894 2.248 6.198) 7.657 4.450 ( 12.186 7.036 -3.753) 14.563 4.450 ( 12.186 7.036 3.753) 14.563 4.526 ( 1.423 0.822 -11.659) 11.774 4.526 ( 1.423 0.822 11.659) 11.774 4.957 ( 8.716 5.032 -22.809) 24.931 4.957 ( 8.716 5.032 22.809) 24.931 5.819 ( 24.366 14.068 -14.336) 31.577 5.819 ( 24.366 14.068 14.336) 31.577 6.054 ( 25.731 14.856 -29.565) 41.915 6.054 ( 25.731 14.856 29.565) 41.915 8.602 ( 0.788 0.455 -4.588) 4.677 8.602 ( 0.788 0.455 4.588) 4.677 9.095 ( 17.105 9.875 -2.911) 19.964 9.095 ( 17.105 9.875 2.911) 19.964 9.624 ( -9.000 -5.196 -2.849) 10.776 9.624 ( -9.000 -5.196 2.849) 10.776 10.516 ( -2.779 -1.604 -16.354) 16.665 10.516 ( -2.779 -1.604 16.354) 16.665 10.929 ( 15.240 8.799 -14.208) 22.618 10.929 ( 15.240 8.799 14.208) 22.618 11.921 ( -15.616 -9.016 -4.506) 18.586 11.921 ( -15.616 -9.016 4.506) 18.586 12.022 ( 15.994 9.234 -3.088) 18.725 12.022 ( 15.994 9.234 3.088) 18.725 12.750 ( 1.248 0.721 -21.453) 21.501 12.750 ( 1.248 0.721 21.453) 21.501 13.250 ( 13.853 7.998 -19.224) 25.008 13.250 ( 13.853 7.998 19.224) 25.008 16.863 ( -8.756 -5.055 -24.541) 26.542 16.863 ( -8.756 -5.055 24.541) 26.542 16.957 ( 0.235 0.136 -14.862) 14.864 16.957 ( 0.235 0.136 14.862) 14.864 17.278 ( 3.397 1.961 -9.818) 10.573 17.278 ( 3.397 1.961 9.818) 10.573 18.306 ( -12.880 -7.436 -10.645) 18.290 18.306 ( -12.880 -7.436 10.645) 18.290 18.392 ( -10.232 -5.907 -10.168) 15.587 18.392 ( -10.232 -5.907 10.168) 15.587 19.872 ( -8.870 -5.121 -7.727) 12.830 19.872 ( -8.870 -5.121 7.727) 12.830 20.049 ( -3.760 -2.171 -9.560) 10.500 20.049 ( -3.760 -2.171 9.560) 10.500 20.666 ( 3.027 1.748 -1.694) 3.884 20.666 ( 3.027 1.748 1.694) 3.884 20.955 ( 2.811 1.623 -4.518) 5.563 20.955 ( 2.811 1.623 4.518) 5.563 21.080 ( 8.597 4.963 -5.389) 11.295 21.080 ( 8.597 4.963 5.389) 11.295 21.369 ( -5.686 -3.283 -2.645) 7.078 21.369 ( -5.686 -3.283 2.645) 7.078 21.757 ( -3.665 -2.116 -4.629) 6.272 21.757 ( -3.665 -2.116 4.629) 6.272 21.839 ( -3.782 -2.184 -1.611) 4.655 21.839 ( -3.782 -2.184 1.611) 4.655 22.275 ( -1.549 -0.894 -1.757) 2.507 22.275 ( -1.549 -0.894 1.757) 2.507 22.335 ( -7.395 -4.270 -8.761) 12.234 22.335 ( -7.395 -4.270 8.761) 12.234 22.740 ( 4.533 2.617 -14.694) 15.598 22.740 ( 4.533 2.617 14.694) 15.598 23.736 ( 5.101 2.945 -4.942) 7.688 23.736 ( 5.101 2.945 4.942) 7.688 23.760 ( 1.670 0.964 -9.281) 9.480 23.760 ( 1.670 0.964 9.281) 9.480 24.678 ( 5.637 3.254 -12.403) 14.007 24.678 ( 5.637 3.254 12.403) 14.007 27.309 ( 7.239 4.179 -8.225) 11.727 27.309 ( 7.239 4.179 8.225) 11.727 28.942 ( -8.144 -4.702 -5.563) 10.926 28.942 ( -8.144 -4.702 5.563) 10.926 ======================= Grid point 405 (52/64) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.343 ( 13.195 7.618 -12.251) 19.551 3.343 ( 13.195 7.618 12.251) 19.551 3.589 ( 2.856 1.649 -14.863) 15.225 3.589 ( 2.856 1.649 14.863) 15.225 3.908 ( 1.236 0.714 -2.105) 2.543 3.908 ( 1.236 0.714 2.105) 2.543 4.109 ( 4.389 2.534 -7.256) 8.851 4.109 ( 4.389 2.534 7.256) 8.851 4.532 ( -1.952 -1.127 -11.861) 12.074 4.532 ( -1.952 -1.127 11.861) 12.074 4.607 ( 6.016 3.473 -17.817) 19.123 4.607 ( 6.016 3.473 17.817) 19.123 5.529 ( 33.797 19.513 -3.279) 39.163 5.529 ( 33.797 19.513 3.279) 39.163 6.379 ( 24.672 14.245 -18.492) 33.965 6.379 ( 24.672 14.245 18.492) 33.965 6.610 ( 24.060 13.891 -23.517) 36.399 6.610 ( 24.060 13.891 23.517) 36.399 8.632 ( 2.214 1.278 -3.965) 4.718 8.632 ( 2.214 1.278 3.965) 4.718 9.261 ( -6.873 -3.968 -4.638) 9.192 9.261 ( -6.873 -3.968 4.638) 9.192 9.609 ( 11.409 6.587 -6.932) 14.886 9.609 ( 11.409 6.587 6.932) 14.886 10.409 ( -6.873 -3.968 -13.680) 15.816 10.409 ( -6.873 -3.968 13.680) 15.816 11.206 ( 2.293 1.324 -5.058) 5.710 11.206 ( 2.293 1.324 5.058) 5.710 11.764 ( 9.517 5.495 -4.285) 11.795 11.764 ( 9.517 5.495 4.285) 11.795 12.297 ( 5.665 3.270 -8.756) 10.929 12.297 ( 5.665 3.270 8.756) 10.929 12.939 ( 18.137 10.472 -13.884) 25.127 12.939 ( 18.137 10.472 13.884) 25.127 13.576 ( 15.389 8.885 -20.490) 27.122 13.576 ( 15.389 8.885 20.490) 27.122 16.580 ( -17.222 -9.943 -23.341) 30.663 16.580 ( -17.222 -9.943 23.341) 30.663 16.940 ( -2.356 -1.360 -15.660) 15.895 16.940 ( -2.356 -1.360 15.660) 15.895 17.263 ( -6.606 -3.814 -11.123) 13.487 17.263 ( -6.606 -3.814 11.123) 13.487 17.978 ( -15.620 -9.018 -12.000) 21.663 17.978 ( -15.620 -9.018 12.000) 21.663 18.179 ( -6.453 -3.725 -5.285) 9.135 18.179 ( -6.453 -3.725 5.285) 9.135 19.719 ( -4.561 -2.633 -4.571) 6.974 19.719 ( -4.561 -2.633 4.571) 6.974 19.974 ( -2.897 -1.672 -6.242) 7.082 19.974 ( -2.897 -1.672 6.242) 7.082 20.740 ( 3.549 2.049 -3.329) 5.279 20.740 ( 3.549 2.049 3.329) 5.279 20.983 ( -0.861 -0.497 -4.011) 4.132 20.983 ( -0.861 -0.497 4.011) 4.132 21.268 ( 7.404 4.275 -5.801) 10.332 21.268 ( 7.404 4.275 5.801) 10.332 21.279 ( -1.406 -0.812 -2.241) 2.767 21.279 ( -1.406 -0.812 2.241) 2.767 21.685 ( -2.860 -1.651 -5.912) 6.772 21.685 ( -2.860 -1.651 5.912) 6.772 21.751 ( -3.485 -2.012 -3.848) 5.568 21.751 ( -3.485 -2.012 3.848) 5.568 22.186 ( -5.709 -3.296 -7.317) 9.849 22.186 ( -5.709 -3.296 7.317) 9.849 22.259 ( 0.055 0.032 -1.099) 1.100 22.259 ( 0.055 0.032 1.099) 1.100 22.802 ( 1.184 0.684 -12.674) 12.748 22.802 ( 1.184 0.684 12.674) 12.748 23.775 ( -0.386 -0.223 -8.564) 8.576 23.775 ( -0.386 -0.223 8.564) 8.576 23.865 ( 5.664 3.270 -11.339) 13.090 23.865 ( 5.664 3.270 11.339) 13.090 24.762 ( 2.200 1.270 -14.214) 14.439 24.762 ( 2.200 1.270 14.214) 14.439 27.486 ( 8.261 4.769 -4.537) 10.563 27.486 ( 8.261 4.769 4.537) 10.563 28.770 ( -7.053 -4.072 -6.722) 10.560 28.770 ( -7.053 -4.072 6.722) 10.560 ======================= Grid point 407 (53/64) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.524 ( 3.825 2.208 -5.767) 7.264 3.524 ( 3.825 2.208 5.767) 7.264 3.623 ( 0.811 0.468 -7.872) 7.928 3.623 ( 0.811 0.468 7.872) 7.928 3.959 ( 2.671 1.542 -3.720) 4.832 3.959 ( 2.671 1.542 3.720) 4.832 4.195 ( 3.055 1.764 -4.972) 6.096 4.195 ( 3.055 1.764 4.972) 6.096 4.488 ( -1.131 -0.653 -11.209) 11.285 4.488 ( -1.131 -0.653 11.209) 11.285 4.782 ( 8.743 5.048 -14.805) 17.919 4.782 ( 8.743 5.048 14.805) 17.919 6.156 ( 19.849 11.460 -4.821) 23.421 6.156 ( 19.849 11.460 4.821) 23.421 6.857 ( 17.138 9.894 -16.301) 25.638 6.857 ( 17.138 9.894 16.301) 25.638 7.148 ( 24.835 14.338 -15.965) 32.821 7.148 ( 24.835 14.338 15.965) 32.821 8.716 ( 5.470 3.158 -4.433) 7.716 8.716 ( 5.470 3.158 4.433) 7.716 9.007 ( -14.079 -8.128 -8.569) 18.377 9.007 ( -14.079 -8.128 8.569) 18.377 9.889 ( 11.758 6.789 -7.624) 15.571 9.889 ( 11.758 6.789 7.624) 15.571 10.219 ( -9.661 -5.578 -10.072) 15.030 10.219 ( -9.661 -5.578 10.072) 15.030 11.052 ( -10.176 -5.875 -11.470) 16.420 11.052 ( -10.176 -5.875 11.470) 16.420 12.298 ( 30.565 17.647 -6.366) 35.863 12.298 ( 30.565 17.647 6.366) 35.863 12.322 ( -1.172 -0.677 -17.478) 17.531 12.322 ( -1.172 -0.677 17.478) 17.531 13.463 ( 25.194 14.546 -6.166) 29.737 13.463 ( 25.194 14.546 6.166) 29.737 13.936 ( 17.280 9.977 -18.603) 27.280 13.936 ( 17.280 9.977 18.603) 27.280 16.062 ( -29.537 -17.053 -9.406) 35.379 16.062 ( -29.537 -17.053 9.406) 35.379 16.820 ( -8.794 -5.077 -10.752) 14.789 16.820 ( -8.794 -5.077 10.752) 14.789 17.028 ( -11.453 -6.612 -24.027) 27.426 17.028 ( -11.453 -6.612 24.027) 27.426 17.672 ( -10.520 -6.074 -13.895) 18.456 17.672 ( -10.520 -6.074 13.895) 18.456 18.132 ( 0.805 0.465 -2.933) 3.076 18.132 ( 0.805 0.465 2.933) 3.076 19.663 ( -0.837 -0.483 -5.254) 5.342 19.663 ( -0.837 -0.483 5.254) 5.342 19.922 ( -1.776 -1.026 -3.613) 4.155 19.922 ( -1.776 -1.026 3.613) 4.155 20.820 ( 3.493 2.017 -4.799) 6.269 20.820 ( 3.493 2.017 4.799) 6.269 20.928 ( -3.117 -1.800 -5.345) 6.444 20.928 ( -3.117 -1.800 5.345) 6.444 21.303 ( 2.462 1.421 -4.877) 5.645 21.303 ( 2.462 1.421 4.877) 5.645 21.362 ( 0.490 0.283 -6.100) 6.126 21.362 ( 0.490 0.283 6.100) 6.126 21.633 ( -1.673 -0.966 -5.103) 5.457 21.633 ( -1.673 -0.966 5.103) 5.457 21.728 ( 1.906 1.100 -5.355) 5.789 21.728 ( 1.906 1.100 5.355) 5.789 22.085 ( -3.401 -1.964 -5.318) 6.611 22.085 ( -3.401 -1.964 5.318) 6.611 22.268 ( 0.520 0.300 -1.213) 1.353 22.268 ( 0.520 0.300 1.213) 1.353 22.802 ( -0.961 -0.555 -8.827) 8.896 22.802 ( -0.961 -0.555 8.827) 8.896 23.749 ( -1.705 -0.985 -7.278) 7.540 23.749 ( -1.705 -0.985 7.278) 7.540 23.966 ( 3.267 1.886 -15.867) 16.309 23.966 ( 3.267 1.886 15.867) 16.309 24.793 ( 0.920 0.531 -13.262) 13.305 24.793 ( 0.920 0.531 13.262) 13.305 27.658 ( 6.801 3.927 -7.228) 10.674 27.658 ( 6.801 3.927 7.228) 10.674 28.634 ( -5.021 -2.899 -8.758) 10.503 28.634 ( -5.021 -2.899 8.758) 10.503 ======================= Grid point 409 (54/64) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.563 ( 0.507 0.293 -2.704) 2.767 3.563 ( 0.507 0.293 2.704) 2.767 3.634 ( 0.217 0.126 -2.780) 2.791 3.634 ( 0.217 0.126 2.780) 2.791 4.002 ( 1.033 0.596 -4.801) 4.947 4.002 ( 1.033 0.596 4.801) 4.947 4.236 ( 0.710 0.410 -1.873) 2.045 4.236 ( 0.710 0.410 1.873) 2.045 4.484 ( 0.328 0.190 -5.036) 5.050 4.484 ( 0.328 0.190 5.036) 5.050 4.938 ( 4.153 2.398 -10.035) 11.122 4.938 ( 4.153 2.398 10.035) 11.122 6.412 ( 4.718 2.724 -7.261) 9.078 6.412 ( 4.718 2.724 7.261) 9.078 7.111 ( 5.602 3.234 -9.610) 11.585 7.111 ( 5.602 3.234 9.610) 11.585 7.655 ( 16.872 9.741 -8.953) 21.441 7.655 ( 16.872 9.741 8.953) 21.441 8.686 ( -12.025 -6.943 -8.544) 16.303 8.686 ( -12.025 -6.943 8.544) 16.303 8.846 ( 4.527 2.614 -4.747) 7.061 8.846 ( 4.527 2.614 4.747) 7.061 10.028 ( -5.804 -3.351 -4.759) 8.220 10.028 ( -5.804 -3.351 4.759) 8.220 10.101 ( 6.146 3.549 -4.985) 8.673 10.101 ( 6.146 3.549 4.985) 8.673 10.861 ( -5.642 -3.257 -13.293) 14.803 10.861 ( -5.642 -3.257 13.293) 14.803 12.295 ( -0.771 -0.445 -20.214) 20.233 12.295 ( -0.771 -0.445 20.214) 20.233 12.872 ( 16.021 9.250 -7.955) 20.137 12.872 ( 16.021 9.250 7.955) 20.137 13.916 ( 12.429 7.176 -2.802) 14.623 13.916 ( 12.429 7.176 2.802) 14.623 14.365 ( 20.159 11.639 -9.820) 25.264 14.365 ( 20.159 11.639 9.820) 25.264 15.351 ( -29.229 -16.875 -4.597) 34.062 15.351 ( -29.229 -16.875 4.597) 34.062 16.608 ( -7.225 -4.171 -3.433) 9.022 16.608 ( -7.225 -4.171 3.433) 9.022 16.843 ( -4.389 -2.534 -32.908) 33.296 16.843 ( -4.389 -2.534 32.908) 33.296 17.532 ( -2.637 -1.523 -16.962) 17.233 17.532 ( -2.637 -1.523 16.962) 17.233 18.157 ( 0.809 0.467 -2.645) 2.805 18.157 ( 0.809 0.467 2.645) 2.805 19.662 ( 0.217 0.125 -5.918) 5.923 19.662 ( 0.217 0.125 5.918) 5.923 19.895 ( -0.604 -0.349 -1.775) 1.907 19.895 ( -0.604 -0.349 1.775) 1.907 20.875 ( -1.357 -0.783 -4.468) 4.735 20.875 ( -1.357 -0.783 4.468) 4.735 20.883 ( 1.751 1.011 -5.646) 5.997 20.883 ( 1.751 1.011 5.646) 5.997 21.333 ( -1.507 -0.870 -3.860) 4.234 21.333 ( -1.507 -0.870 3.860) 4.234 21.350 ( 1.264 0.730 -4.075) 4.328 21.350 ( 1.264 0.730 4.075) 4.328 21.612 ( -0.324 -0.187 -2.495) 2.523 21.612 ( -0.324 -0.187 2.495) 2.523 21.791 ( 2.266 1.308 -3.887) 4.685 21.791 ( 2.266 1.308 3.887) 4.685 22.032 ( -1.269 -0.733 -3.706) 3.985 22.032 ( -1.269 -0.733 3.706) 3.985 22.277 ( 0.229 0.132 -1.077) 1.109 22.277 ( 0.229 0.132 1.077) 1.109 22.777 ( -0.867 -0.501 -4.584) 4.692 22.777 ( -0.867 -0.501 4.584) 4.692 23.715 ( -0.975 -0.563 -5.788) 5.896 23.715 ( -0.975 -0.563 5.788) 5.896 24.011 ( 0.932 0.538 -16.495) 16.530 24.011 ( 0.932 0.538 16.495) 16.530 24.808 ( 0.370 0.214 -10.772) 10.780 24.808 ( 0.370 0.214 10.772) 10.780 27.769 ( 2.762 1.595 -11.665) 12.093 27.769 ( 2.762 1.595 11.665) 12.093 28.554 ( -1.976 -1.141 -11.498) 11.722 28.554 ( -1.976 -1.141 11.498) 11.722 ======================= Grid point 423 (55/64) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.878 ( 12.505 21.660 -19.886) 31.953 2.878 ( 12.505 21.660 19.886) 31.953 3.271 ( 13.032 22.572 -23.503) 35.096 3.271 ( 13.032 22.572 23.503) 35.096 3.911 ( -0.574 -0.995 -1.334) 1.760 3.911 ( -0.574 -0.995 1.334) 1.760 3.991 ( 1.742 3.018 -3.614) 5.020 3.991 ( 1.742 3.018 3.614) 5.020 4.373 ( 6.260 10.842 -1.097) 12.568 4.373 ( 6.260 10.842 1.097) 12.568 4.538 ( 1.549 2.683 -7.226) 7.862 4.538 ( 1.549 2.683 7.226) 7.862 4.932 ( 0.108 0.187 -27.414) 27.415 4.932 ( 0.108 0.187 27.414) 27.415 5.629 ( 11.166 19.340 -2.828) 22.510 5.629 ( 11.166 19.340 2.828) 22.510 5.936 ( 16.316 28.260 -30.565) 44.711 5.936 ( 16.316 28.260 30.565) 44.711 8.605 ( 0.708 1.226 -3.715) 3.975 8.605 ( 0.708 1.226 3.715) 3.975 8.984 ( 9.734 16.859 -2.423) 19.618 8.984 ( 9.734 16.859 2.423) 19.618 9.678 ( -5.561 -9.632 -0.526) 11.134 9.678 ( -5.561 -9.632 0.526) 11.134 10.566 ( 0.869 1.505 -16.977) 17.066 10.566 ( 0.869 1.505 16.977) 17.066 10.802 ( 5.916 10.247 -15.515) 19.512 10.802 ( 5.916 10.247 15.515) 19.512 11.928 ( 7.586 13.140 -3.290) 15.525 11.928 ( 7.586 13.140 3.290) 15.525 12.017 ( -8.448 -14.632 -4.168) 17.402 12.017 ( -8.448 -14.632 4.168) 17.402 12.762 ( 0.533 0.923 -20.696) 20.723 12.762 ( 0.533 0.923 20.696) 20.723 13.160 ( 7.296 12.636 -17.610) 22.870 13.160 ( 7.296 12.636 17.610) 22.870 16.901 ( -3.824 -6.624 -21.195) 22.533 16.901 ( -3.824 -6.624 21.195) 22.533 16.964 ( 0.386 0.669 -10.931) 10.958 16.964 ( 0.386 0.669 10.931) 10.958 17.254 ( 1.918 3.321 -12.204) 12.793 17.254 ( 1.918 3.321 12.204) 12.793 18.362 ( -7.534 -13.050 -6.157) 16.278 18.362 ( -7.534 -13.050 6.157) 16.278 18.469 ( -3.999 -6.927 -6.977) 10.614 18.469 ( -3.999 -6.927 6.977) 10.614 19.905 ( -6.327 -10.959 -6.598) 14.272 19.905 ( -6.327 -10.959 6.598) 14.272 20.096 ( -1.236 -2.141 -8.712) 9.056 20.096 ( -1.236 -2.141 8.712) 9.056 20.643 ( 1.336 2.314 -0.284) 2.687 20.643 ( 1.336 2.314 0.284) 2.687 20.937 ( 1.918 3.322 -0.988) 3.961 20.937 ( 1.918 3.322 0.988) 3.961 21.030 ( 4.552 7.885 -2.525) 9.448 21.030 ( 4.552 7.885 2.525) 9.448 21.405 ( -3.225 -5.585 -0.154) 6.451 21.405 ( -3.225 -5.585 0.154) 6.451 21.764 ( -3.170 -5.490 -1.943) 6.631 21.764 ( -3.170 -5.490 1.943) 6.631 21.890 ( -0.544 -0.942 -0.592) 1.239 21.890 ( -0.544 -0.942 0.592) 1.239 22.207 ( -4.181 -7.242 -0.006) 8.363 22.207 ( -4.181 -7.242 0.006) 8.363 22.471 ( -0.515 -0.892 -5.358) 5.456 22.471 ( -0.515 -0.892 5.358) 5.456 22.702 ( 3.033 5.254 -11.750) 13.224 22.702 ( 3.033 5.254 11.750) 13.224 23.569 ( -3.159 -5.471 -7.697) 9.958 23.569 ( -3.159 -5.471 7.697) 9.958 23.870 ( 5.598 9.697 -1.480) 11.294 23.870 ( 5.598 9.697 1.480) 11.294 24.643 ( 4.084 7.073 -11.654) 14.231 24.643 ( 4.084 7.073 11.654) 14.231 27.267 ( 3.727 6.455 -9.542) 12.108 27.267 ( 3.727 6.455 9.542) 12.108 28.988 ( -4.776 -8.272 -5.158) 10.855 28.988 ( -4.776 -8.272 5.158) 10.855 ======================= Grid point 425 (56/64) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.288 ( 9.745 18.776 -11.256) 23.962 3.288 ( 9.745 18.776 11.256) 23.962 3.541 ( 5.949 4.698 -16.132) 17.824 3.541 ( 5.949 4.698 16.132) 17.824 3.911 ( 0.624 1.696 -0.707) 1.940 3.911 ( 0.624 1.696 0.707) 1.940 4.072 ( 3.728 4.190 -4.543) 7.217 4.072 ( 3.728 4.190 4.543) 7.217 4.507 ( 1.674 0.554 -3.852) 4.236 4.507 ( 1.674 0.554 3.852) 4.236 4.644 ( 0.685 7.344 -7.132) 10.260 4.644 ( 0.685 7.344 7.132) 10.260 5.228 ( 23.860 23.139 -8.843) 34.393 5.228 ( 23.860 23.139 8.843) 34.393 6.076 ( 21.528 14.746 -10.470) 28.116 6.076 ( 21.528 14.746 10.470) 28.116 6.502 ( 17.522 27.803 -26.657) 42.316 6.502 ( 17.522 27.803 26.657) 42.316 8.630 ( 0.465 1.960 -2.201) 2.984 8.630 ( 0.465 1.960 2.201) 2.984 9.283 ( 4.720 6.136 -0.499) 7.758 9.283 ( 4.720 6.136 0.499) 7.758 9.527 ( 0.804 -1.586 -5.454) 5.737 9.527 ( 0.804 -1.586 5.454) 5.737 10.554 ( -6.922 5.239 -14.455) 16.861 10.554 ( -6.922 5.239 14.455) 16.861 11.050 ( 14.200 3.146 -7.679) 16.448 11.050 ( 14.200 3.146 7.679) 16.448 11.703 ( -5.641 -11.554 -3.575) 13.345 11.703 ( -5.641 -11.554 3.575) 13.345 12.260 ( 8.242 12.628 -2.611) 15.304 12.260 ( 8.242 12.628 2.611) 15.304 12.862 ( 7.333 12.697 -17.529) 22.853 12.862 ( 7.333 12.697 17.529) 22.853 13.438 ( 11.958 11.590 -18.812) 25.124 13.438 ( 11.958 11.590 18.812) 25.124 16.690 ( -10.241 -13.054 -25.179) 30.155 16.690 ( -10.241 -13.054 25.179) 30.155 16.963 ( -1.309 -0.349 -15.191) 15.251 16.963 ( -1.309 -0.349 15.191) 15.251 17.289 ( -1.255 -2.317 -6.442) 6.960 17.289 ( -1.255 -2.317 6.442) 6.960 18.058 ( -10.348 -15.642 -5.059) 19.425 18.058 ( -10.348 -15.642 5.059) 19.425 18.308 ( -8.143 -3.084 -4.057) 9.606 18.308 ( -8.143 -3.084 4.057) 9.606 19.713 ( -3.891 -9.459 -2.075) 10.436 19.713 ( -3.891 -9.459 2.075) 10.436 20.047 ( -3.709 0.660 -5.761) 6.883 20.047 ( -3.709 0.660 5.761) 6.883 20.699 ( 2.970 1.778 -1.451) 3.753 20.699 ( 2.970 1.778 1.451) 3.753 20.992 ( 0.637 1.792 -2.312) 2.994 20.992 ( 0.637 1.792 2.312) 2.994 21.177 ( 5.003 2.930 -2.724) 6.406 21.177 ( 5.003 2.930 2.724) 6.406 21.328 ( -1.444 1.211 -0.594) 1.976 21.328 ( -1.444 1.211 0.594) 1.976 21.651 ( -2.164 -7.194 -4.644) 8.832 21.651 ( -2.164 -7.194 4.644) 8.832 21.857 ( -4.244 2.460 -1.870) 5.250 21.857 ( -4.244 2.460 1.870) 5.250 22.119 ( 1.469 -6.333 -1.319) 6.633 22.119 ( 1.469 -6.333 1.319) 6.633 22.410 ( -7.691 3.407 -5.388) 9.989 22.410 ( -7.691 3.407 5.388) 9.989 22.769 ( 1.826 -0.815 -9.522) 9.730 22.769 ( 1.826 -0.815 9.522) 9.730 23.527 ( 6.851 -9.261 -14.485) 18.508 23.527 ( 6.851 -9.261 14.485) 18.508 24.015 ( -0.578 10.305 -5.650) 11.767 24.015 ( -0.578 10.305 5.650) 11.767 24.767 ( 2.902 6.542 -12.449) 14.360 24.767 ( 2.902 6.542 12.449) 14.360 27.416 ( 6.174 6.495 -5.313) 10.418 27.416 ( 6.174 6.495 5.313) 10.418 28.818 ( -5.810 -7.807 -5.251) 11.058 28.818 ( -5.810 -7.807 5.251) 11.058 ======================= Grid point 427 (57/64) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( 3.276 5.349 -5.779) 8.529 3.502 ( 3.276 5.349 5.779) 8.529 3.641 ( 0.643 4.852 -5.969) 7.719 3.641 ( 0.643 4.852 5.969) 7.719 3.970 ( 1.555 5.873 -3.038) 6.793 3.970 ( 1.555 5.873 3.038) 6.793 4.178 ( 2.566 4.976 -4.570) 7.227 4.178 ( 2.566 4.976 4.570) 7.227 4.503 ( -1.143 -0.047 -11.372) 11.429 4.503 ( -1.143 -0.047 11.372) 11.429 4.770 ( 4.406 12.476 -17.424) 21.878 4.770 ( 4.406 12.476 17.424) 21.878 5.878 ( 25.265 14.817 -1.697) 29.338 5.878 ( 25.265 14.817 1.697) 29.338 6.595 ( 24.224 11.924 -11.767) 29.452 6.595 ( 24.224 11.924 11.767) 29.452 7.024 ( 14.641 24.455 -20.398) 35.050 7.024 ( 14.641 24.455 20.398) 35.050 8.667 ( 2.414 1.237 -3.393) 4.344 8.667 ( 2.414 1.237 3.393) 4.344 9.154 ( -11.096 -6.457 -5.377) 13.919 9.154 ( -11.096 -6.457 5.377) 13.919 9.737 ( 11.880 6.361 -6.072) 14.781 9.737 ( 11.880 6.361 6.072) 14.781 10.440 ( -13.105 7.195 -10.830) 18.460 10.440 ( -13.105 7.195 10.830) 18.460 11.115 ( -4.681 -8.195 -8.822) 12.919 11.115 ( -4.681 -8.195 8.822) 12.919 11.844 ( 28.208 1.661 -4.866) 28.672 11.844 ( 28.208 1.661 4.866) 28.672 12.386 ( -0.569 5.658 -13.277) 14.444 12.386 ( -0.569 5.658 13.277) 14.444 13.277 ( 18.031 21.573 -5.930) 28.735 13.277 ( 18.031 21.573 5.930) 28.735 13.785 ( 15.167 14.244 -17.101) 26.933 13.785 ( 15.167 14.244 17.101) 26.933 16.283 ( -19.726 -21.217 -13.342) 31.895 16.283 ( -19.726 -21.217 13.342) 31.895 16.880 ( -5.826 -6.420 -17.845) 19.839 16.880 ( -5.826 -6.420 17.845) 19.839 17.128 ( -9.008 -9.049 -14.108) 19.028 17.128 ( -9.008 -9.049 14.108) 19.028 17.777 ( -8.864 -8.701 -7.855) 14.696 17.777 ( -8.864 -8.701 7.855) 14.696 18.197 ( -4.947 4.123 -1.237) 6.558 18.197 ( -4.947 4.123 1.237) 6.558 19.603 ( 0.697 -8.249 -4.554) 9.448 19.603 ( 0.697 -8.249 4.554) 9.448 19.993 ( -4.121 2.255 -3.374) 5.784 19.993 ( -4.121 2.255 3.374) 5.784 20.773 ( 3.858 1.566 -2.926) 5.089 20.773 ( 3.858 1.566 2.926) 5.089 20.971 ( -3.051 -0.591 -3.528) 4.702 20.971 ( -3.051 -0.591 3.528) 4.702 21.250 ( 4.021 -0.072 -3.948) 5.636 21.250 ( 4.021 -0.072 3.948) 5.636 21.358 ( -0.117 0.915 -4.989) 5.074 21.358 ( -0.117 0.915 4.989) 5.074 21.609 ( 2.649 -0.582 -4.254) 5.045 21.609 ( 2.649 -0.582 4.254) 5.045 21.804 ( -5.298 3.990 -2.977) 7.270 21.804 ( -5.298 3.990 2.977) 7.270 22.098 ( 0.364 -3.171 -3.003) 4.382 22.098 ( 0.364 -3.171 3.003) 4.382 22.316 ( -5.885 2.428 -3.069) 7.067 22.316 ( -5.885 2.428 3.069) 7.067 22.756 ( 1.437 -6.531 -7.615) 10.134 22.756 ( 1.437 -6.531 7.615) 10.134 23.589 ( 8.839 -7.203 -17.394) 20.798 23.589 ( 8.839 -7.203 17.394) 20.798 24.050 ( -3.534 5.087 -10.841) 12.486 24.050 ( -3.534 5.087 10.841) 12.486 24.865 ( -0.840 10.078 -10.948) 14.904 24.865 ( -0.840 10.078 10.948) 14.904 27.583 ( 6.793 4.964 -4.297) 9.447 27.583 ( 6.793 4.964 4.297) 9.447 28.657 ( -4.349 -7.613 -6.124) 10.695 28.657 ( -4.349 -7.613 6.124) 10.695 ======================= Grid point 429 (58/64) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.567 ( 1.212 2.050 -2.007) 3.114 3.567 ( 1.212 2.050 2.007) 3.114 3.662 ( -1.880 2.800 -2.704) 4.323 3.662 ( -1.880 2.800 2.704) 4.323 4.046 ( -0.534 6.941 -5.936) 9.149 4.046 ( -0.534 6.941 5.936) 9.149 4.232 ( 0.477 1.560 -3.058) 3.466 4.232 ( 0.477 1.560 3.058) 3.466 4.494 ( -0.970 1.854 -8.672) 8.921 4.494 ( -0.970 1.854 8.672) 8.921 4.981 ( 2.232 15.674 -12.100) 19.927 4.981 ( 2.232 15.674 12.100) 19.927 6.267 ( 12.930 0.720 -4.951) 13.864 6.267 ( 12.930 0.720 4.951) 13.864 7.039 ( 13.446 9.624 -10.478) 19.576 7.039 ( 13.446 9.624 10.478) 19.576 7.481 ( 16.068 17.739 -12.937) 27.207 7.481 ( 16.068 17.739 12.937) 27.207 8.714 ( 1.635 -5.506 -2.918) 6.442 8.714 ( 1.635 -5.506 2.918) 6.442 8.895 ( -10.192 -2.578 -2.567) 10.822 8.895 ( -10.192 -2.578 2.567) 10.822 9.938 ( 6.341 0.795 -5.699) 8.563 9.938 ( 6.341 0.795 5.699) 8.563 10.311 ( -11.749 13.407 -7.203) 19.227 10.311 ( -11.749 13.407 7.203) 19.227 10.918 ( -7.237 -7.351 -12.847) 16.476 10.918 ( -7.237 -7.351 12.847) 16.476 12.257 ( 9.224 -3.449 -12.901) 16.230 12.257 ( 9.224 -3.449 12.901) 16.230 12.579 ( 22.118 9.592 -5.675) 24.767 12.579 ( 22.118 9.592 5.675) 24.767 13.729 ( 16.168 9.433 -3.106) 18.975 13.729 ( 16.168 9.433 3.106) 18.975 14.214 ( 15.422 17.969 -9.625) 25.561 14.214 ( 15.422 17.969 9.625) 25.561 15.657 ( -26.754 -21.720 -3.542) 34.642 15.657 ( -26.754 -21.720 3.542) 34.642 16.666 ( -8.068 -9.955 -15.837) 20.372 16.666 ( -8.068 -9.955 15.837) 20.372 16.902 ( -7.452 -6.861 -16.336) 19.222 16.902 ( -7.452 -6.861 16.336) 19.222 17.606 ( -6.099 -0.289 -10.302) 11.975 17.606 ( -6.099 -0.289 10.302) 11.975 18.195 ( -2.124 5.407 -2.262) 6.234 18.195 ( -2.124 5.407 2.262) 6.234 19.565 ( 4.048 -8.483 -6.134) 11.224 19.565 ( 4.048 -8.483 6.134) 11.224 19.958 ( -3.268 3.290 -1.773) 4.964 19.958 ( -3.268 3.290 1.773) 4.964 20.846 ( 2.823 0.751 -3.472) 4.537 20.846 ( 2.823 0.751 3.472) 4.537 20.919 ( -2.607 1.144 -3.588) 4.580 20.919 ( -2.607 1.144 3.588) 4.580 21.280 ( 1.116 -4.688 -2.938) 5.644 21.280 ( 1.116 -4.688 2.938) 5.644 21.363 ( 1.372 1.546 -1.720) 2.689 21.363 ( 1.372 1.546 1.720) 2.689 21.650 ( -1.553 2.948 -3.190) 4.613 21.650 ( -1.553 2.948 3.190) 4.613 21.802 ( 0.374 5.387 -3.728) 6.562 21.802 ( 0.374 5.387 3.728) 6.562 22.059 ( -2.099 -1.288 -3.162) 4.008 22.059 ( -2.099 -1.288 3.162) 4.008 22.273 ( -0.927 -0.197 -1.642) 1.896 22.273 ( -0.927 -0.197 1.642) 1.896 22.710 ( 2.364 -8.666 -4.899) 10.231 22.710 ( 2.364 -8.666 4.899) 10.231 23.653 ( 4.512 -3.587 -13.303) 14.498 23.653 ( 4.512 -3.587 13.303) 14.498 24.026 ( -1.660 0.299 -13.272) 13.379 24.026 ( -1.660 0.299 13.272) 13.379 24.930 ( -4.778 12.825 -8.863) 16.305 24.930 ( -4.778 12.825 8.863) 16.305 27.721 ( 4.954 2.499 -9.033) 10.601 27.721 ( 4.954 2.499 9.033) 10.601 28.535 ( -1.277 -7.342 -9.133) 11.787 28.535 ( -1.277 -7.342 9.133) 11.787 ======================= Grid point 431 (59/64) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( -0.949 1.643 -2.908) 3.472 3.588 ( -0.949 1.643 2.908) 3.472 3.655 ( -1.216 2.106 -1.507) 2.861 3.655 ( -1.216 2.106 1.507) 2.861 4.075 ( -3.539 6.129 -7.886) 10.596 4.075 ( -3.539 6.129 7.886) 10.596 4.242 ( -0.128 0.222 -0.694) 0.740 4.242 ( -0.128 0.222 0.694) 0.740 4.497 ( -0.855 1.481 -1.057) 2.010 4.497 ( -0.855 1.481 1.057) 2.010 5.084 ( -7.093 12.286 -8.162) 16.367 5.084 ( -7.093 12.286 8.162) 16.367 6.369 ( 3.503 -6.067 -6.260) 9.395 6.369 ( 3.503 -6.067 6.260) 9.395 7.193 ( -2.233 3.868 -8.276) 9.404 7.193 ( -2.233 3.868 8.276) 9.404 7.768 ( -0.999 1.731 -4.444) 4.873 7.768 ( -0.999 1.731 4.444) 4.873 8.591 ( 1.082 -1.874 -6.556) 6.904 8.591 ( 1.082 -1.874 6.556) 6.904 8.863 ( 1.030 -1.784 -5.876) 6.227 8.863 ( 1.030 -1.784 5.876) 6.227 9.968 ( -0.193 0.334 -0.094) 0.397 9.968 ( -0.193 0.334 0.094) 0.397 10.310 ( -8.682 15.038 -1.503) 17.429 10.310 ( -8.682 15.038 1.503) 17.429 10.803 ( 1.441 -2.496 -14.355) 14.641 10.803 ( 1.441 -2.496 14.355) 14.641 12.284 ( 0.732 -1.268 -18.125) 18.184 12.284 ( 0.732 -1.268 18.125) 18.184 12.890 ( 3.723 -6.448 -5.841) 9.463 12.890 ( 3.723 -6.448 5.841) 9.463 13.943 ( 2.188 -3.789 -0.180) 4.379 13.943 ( 2.188 -3.789 0.180) 4.379 14.481 ( 2.668 -4.621 -0.336) 5.346 14.481 ( 2.668 -4.621 0.336) 5.346 15.232 ( -5.134 8.892 -1.663) 10.401 15.232 ( -5.134 8.892 1.663) 10.401 16.522 ( 2.242 -3.884 -10.946) 11.829 16.522 ( 2.242 -3.884 10.946) 11.829 16.799 ( 1.531 -2.652 -21.066) 21.287 16.799 ( 1.531 -2.652 21.066) 21.287 17.557 ( -2.200 3.811 -12.064) 12.842 17.557 ( -2.200 3.811 12.064) 12.842 18.205 ( -2.601 4.505 -1.996) 5.572 18.205 ( -2.601 4.505 1.996) 5.572 19.560 ( 5.122 -8.871 -6.484) 12.123 19.560 ( 5.122 -8.871 6.484) 12.123 19.947 ( -2.316 4.011 -1.165) 4.776 19.947 ( -2.316 4.011 1.165) 4.776 20.864 ( 0.015 -0.026 -3.127) 3.127 20.864 ( 0.015 -0.026 3.127) 3.127 20.915 ( -1.201 2.079 -5.128) 5.662 20.915 ( -1.201 2.079 5.128) 5.662 21.256 ( 2.765 -4.789 -2.460) 6.052 21.256 ( 2.765 -4.789 2.460) 6.052 21.390 ( -0.913 1.581 -2.350) 2.976 21.390 ( -0.913 1.581 2.350) 2.976 21.643 ( -1.743 3.019 -1.036) 3.636 21.643 ( -1.743 3.019 1.036) 3.636 21.850 ( -2.391 4.142 -3.424) 5.882 21.850 ( -2.391 4.142 3.424) 5.882 22.027 ( 0.321 -0.557 -2.219) 2.310 22.027 ( 0.321 -0.557 2.219) 2.310 22.266 ( 0.543 -0.940 -1.340) 1.724 22.266 ( 0.543 -0.940 1.340) 1.724 22.685 ( 4.535 -7.854 -2.189) 9.330 22.685 ( 4.535 -7.854 2.189) 9.330 23.671 ( 1.256 -2.176 -7.159) 7.587 23.671 ( 1.256 -2.176 7.159) 7.587 24.013 ( 0.646 -1.119 -12.999) 13.063 24.013 ( 0.646 -1.119 12.999) 13.063 24.951 ( -7.459 12.920 -7.914) 16.888 24.951 ( -7.459 12.920 7.914) 16.888 27.778 ( 0.333 -0.577 -12.028) 12.046 27.778 ( 0.333 -0.577 12.028) 12.046 28.486 ( 3.218 -5.575 -11.442) 13.128 28.486 ( 3.218 -5.575 11.442) 13.128 ======================= Grid point 449 (60/64) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.502 ( 2.431 4.210 -6.600) 8.197 3.502 ( 2.431 4.210 6.600) 8.197 3.667 ( 3.492 6.049 -0.658) 7.016 3.667 ( 3.492 6.049 0.658) 7.016 3.986 ( 3.205 5.551 -1.532) 6.591 3.986 ( 3.205 5.551 1.532) 6.591 4.190 ( 3.874 6.710 -3.454) 8.483 4.190 ( 3.874 6.710 3.454) 8.483 4.521 ( 1.058 1.833 -6.520) 6.855 4.521 ( 1.058 1.833 6.520) 6.855 4.803 ( 6.408 11.100 -19.143) 23.037 4.803 ( 6.408 11.100 19.143) 23.037 5.719 ( 13.984 24.221 -0.445) 27.972 5.719 ( 13.984 24.221 0.445) 27.972 6.424 ( 12.291 21.288 -4.869) 25.059 6.424 ( 12.291 21.288 4.869) 25.059 7.031 ( 14.912 25.828 -22.259) 37.215 7.031 ( 14.912 25.828 22.259) 37.215 8.655 ( 0.152 0.263 -2.733) 2.750 8.655 ( 0.152 0.263 2.733) 2.750 9.222 ( -5.156 -8.930 -3.013) 10.742 9.222 ( -5.156 -8.930 3.013) 10.742 9.661 ( 6.621 11.468 -4.188) 13.888 9.661 ( 6.621 11.468 4.188) 13.888 10.655 ( 1.476 2.556 -11.711) 12.077 10.655 ( 1.476 2.556 11.711) 12.077 11.069 ( -0.562 -0.974 -5.435) 5.550 11.069 ( -0.562 -0.974 5.435) 5.550 11.580 ( 1.479 2.562 -1.210) 3.196 11.580 ( 1.479 2.562 1.210) 3.196 12.423 ( 2.728 4.725 -9.448) 10.910 12.423 ( 2.728 4.725 9.448) 10.910 13.238 ( 13.225 22.907 -5.254) 26.968 13.238 ( 13.225 22.907 5.254) 26.968 13.721 ( 10.987 19.030 -14.135) 26.128 13.721 ( 10.987 19.030 14.135) 26.128 16.340 ( -13.794 -23.892 -13.940) 30.910 16.340 ( -13.794 -23.892 13.940) 30.910 16.898 ( -4.408 -7.636 -21.053) 22.825 16.898 ( -4.408 -7.636 21.053) 22.825 17.158 ( -5.842 -10.119 -11.355) 16.293 17.158 ( -5.842 -10.119 11.355) 16.293 17.803 ( -5.499 -9.524 -2.502) 11.278 17.803 ( -5.499 -9.524 2.502) 11.278 18.280 ( 0.138 0.239 -0.724) 0.775 18.280 ( 0.138 0.239 0.724) 0.775 19.547 ( -4.322 -7.485 -4.356) 9.679 19.547 ( -4.322 -7.485 4.356) 9.679 20.047 ( -0.384 -0.664 -3.072) 3.166 20.047 ( -0.384 -0.664 3.072) 3.166 20.743 ( 1.698 2.941 -0.821) 3.494 20.743 ( 1.698 2.941 0.821) 3.494 21.000 ( -0.645 -1.117 -1.994) 2.375 21.000 ( -0.645 -1.117 1.994) 2.375 21.208 ( 1.268 2.196 -2.386) 3.481 21.208 ( 1.268 2.196 2.386) 3.481 21.369 ( -0.649 -1.124 -4.028) 4.232 21.369 ( -0.649 -1.124 4.028) 4.232 21.578 ( 1.444 2.501 -4.655) 5.478 21.578 ( 1.444 2.501 4.655) 5.478 21.890 ( 0.144 0.250 -1.712) 1.736 21.890 ( 0.144 0.250 1.712) 1.736 22.055 ( -0.555 -0.962 -0.347) 1.164 22.055 ( -0.555 -0.962 0.347) 1.164 22.421 ( -1.483 -2.569 -4.691) 5.550 22.421 ( -1.483 -2.569 4.691) 5.550 22.683 ( -3.976 -6.886 -2.080) 8.219 22.683 ( -3.976 -6.886 2.080) 8.219 23.464 ( 1.429 2.475 -22.530) 22.711 23.464 ( 1.429 2.475 22.530) 22.711 24.106 ( -0.196 -0.339 -12.437) 12.443 24.106 ( -0.196 -0.339 12.437) 12.443 24.934 ( 5.739 9.941 -9.087) 14.640 24.934 ( 5.739 9.941 9.087) 14.640 27.547 ( 3.957 6.854 -1.917) 8.144 27.547 ( 3.957 6.854 1.917) 8.144 28.653 ( -5.204 -9.014 -3.009) 10.835 28.653 ( -5.204 -9.014 3.009) 10.835 ======================= Grid point 451 (61/64) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( 1.721 2.475 -3.263) 4.442 3.562 ( 1.721 2.475 3.263) 4.442 3.718 ( -0.957 2.167 -1.466) 2.785 3.718 ( -0.957 2.167 1.466) 2.785 4.095 ( 2.540 6.056 -4.768) 8.116 4.095 ( 2.540 6.056 4.768) 8.116 4.251 ( -0.234 1.448 -3.578) 3.867 4.251 ( -0.234 1.448 3.578) 3.867 4.560 ( -1.658 4.723 -4.927) 7.024 4.560 ( -1.658 4.723 4.927) 7.024 5.099 ( 7.663 21.670 -17.588) 28.942 5.099 ( 7.663 21.670 17.588) 28.942 6.082 ( 10.965 6.813 -3.098) 13.276 6.082 ( 10.965 6.813 3.098) 13.276 6.862 ( 17.281 14.671 -5.048) 23.224 6.862 ( 17.281 14.671 5.048) 23.224 7.473 ( 10.662 21.579 -17.327) 29.657 7.473 ( 10.662 21.579 17.327) 29.657 8.639 ( 0.356 -4.442 -4.424) 6.279 8.639 ( 0.356 -4.442 4.424) 6.279 9.012 ( -9.115 -8.934 -2.804) 13.067 9.012 ( -9.115 -8.934 2.804) 13.067 9.875 ( 6.620 8.494 -5.605) 12.140 9.875 ( 6.620 8.494 5.605) 12.140 10.632 ( -8.606 9.313 -9.886) 16.079 10.632 ( -8.606 9.313 9.886) 16.079 10.979 ( -7.160 -3.625 -8.865) 11.959 10.979 ( -7.160 -3.625 8.865) 11.959 11.862 ( 24.712 2.103 -1.788) 24.866 11.862 ( 24.712 2.103 1.788) 24.866 12.503 ( 2.827 6.407 -12.685) 14.490 12.503 ( 2.827 6.407 12.685) 14.490 13.607 ( 10.303 11.326 -6.747) 16.732 13.607 ( 10.303 11.326 6.747) 16.732 14.163 ( 13.873 21.496 -4.448) 25.968 14.163 ( 13.873 21.496 4.448) 25.968 15.805 ( -18.238 -24.582 -1.649) 30.653 15.805 ( -18.238 -24.582 1.649) 30.653 16.692 ( -7.201 -11.118 -29.573) 32.404 16.692 ( -7.201 -11.118 29.573) 32.404 16.942 ( -7.751 -11.323 -13.060) 18.944 16.942 ( -7.751 -11.323 13.060) 18.944 17.682 ( -3.311 -1.471 -2.550) 4.430 17.682 ( -3.311 -1.471 2.550) 4.430 18.304 ( -1.769 6.354 -1.634) 6.795 18.304 ( -1.769 6.354 1.634) 6.795 19.429 ( 0.073 -9.432 -6.813) 11.635 19.429 ( 0.073 -9.432 6.813) 11.635 20.028 ( -1.881 1.167 -1.374) 2.606 20.028 ( -1.881 1.167 1.374) 2.606 20.810 ( 2.901 2.539 -1.527) 4.147 20.810 ( 2.901 2.539 1.527) 4.147 20.971 ( -1.883 0.689 -2.186) 2.966 20.971 ( -1.883 0.689 2.186) 2.966 21.224 ( -0.105 -4.258 -4.040) 5.871 21.224 ( -0.105 -4.258 4.040) 5.871 21.350 ( 1.583 1.708 -0.725) 2.439 21.350 ( 1.583 1.708 0.725) 2.439 21.683 ( 2.696 5.720 -2.882) 6.950 21.683 ( 2.696 5.720 2.882) 6.950 21.869 ( -2.695 1.953 -1.470) 3.638 21.869 ( -2.695 1.953 1.470) 3.638 22.049 ( 0.579 -2.146 -1.211) 2.532 22.049 ( 0.579 -2.146 1.211) 2.532 22.328 ( -5.431 -1.681 -2.566) 6.238 22.328 ( -5.431 -1.681 2.566) 6.238 22.579 ( 1.340 -9.064 -5.398) 10.634 22.579 ( 1.340 -9.064 5.398) 10.634 23.561 ( 5.081 3.212 -21.903) 22.713 23.561 ( 5.081 3.212 21.903) 22.713 24.049 ( -2.877 -3.667 -16.332) 16.984 24.049 ( -2.877 -3.667 16.332) 16.984 25.110 ( 0.960 13.534 -6.325) 14.970 25.110 ( 0.960 13.534 6.325) 14.970 27.671 ( 4.310 4.184 -3.675) 7.041 27.671 ( 4.310 4.184 3.675) 7.041 28.485 ( -3.572 -9.858 -3.689) 11.115 28.485 ( -3.572 -9.858 3.689) 11.115 ======================= Grid point 453 (62/64) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.608 ( 0.704 2.185 -1.742) 2.882 3.608 ( 0.704 2.185 1.742) 2.882 3.705 ( -1.974 1.571 -2.398) 3.480 3.705 ( -1.974 1.571 2.398) 3.480 4.159 ( 0.124 1.929 -5.416) 5.750 4.159 ( 0.124 1.929 5.416) 5.750 4.271 ( -0.905 4.807 -8.197) 9.546 4.271 ( -0.905 4.807 8.197) 9.546 4.553 ( -2.872 3.069 -2.474) 4.877 4.553 ( -2.872 3.069 2.474) 4.877 5.364 ( -3.879 22.686 -7.971) 24.356 5.364 ( -3.879 22.686 7.971) 24.356 6.230 ( 5.978 -3.774 -4.811) 8.551 6.230 ( 5.978 -3.774 4.811) 8.551 7.190 ( 8.144 4.973 -6.883) 11.766 7.190 ( 8.144 4.973 6.883) 11.766 7.794 ( 5.082 14.572 -9.005) 17.868 7.794 ( 5.082 14.572 9.005) 17.868 8.570 ( -1.538 -7.306 -4.263) 8.598 8.570 ( -1.538 -7.306 4.263) 8.598 8.809 ( -2.350 -7.929 -6.278) 10.383 8.809 ( -2.350 -7.929 6.278) 10.383 10.016 ( 0.309 7.257 -3.066) 7.884 10.016 ( 0.309 7.257 3.066) 7.884 10.626 ( -5.081 14.421 -8.568) 17.527 10.626 ( -5.081 14.421 8.568) 17.527 10.806 ( -9.196 -0.726 -10.329) 13.849 10.806 ( -9.196 -0.726 10.329) 13.849 12.181 ( 10.661 -4.240 -8.859) 14.495 12.181 ( 10.661 -4.240 8.859) 14.495 12.710 ( 12.140 4.392 -4.598) 13.705 12.710 ( 12.140 4.392 4.598) 13.705 13.827 ( 8.387 2.199 -5.417) 10.223 13.827 ( 8.387 2.199 5.417) 10.223 14.349 ( 0.222 -10.016 -2.932) 10.438 14.349 ( 0.222 -10.016 2.932) 10.438 15.490 ( -8.223 9.945 -2.976) 13.243 15.490 ( -8.223 9.945 2.976) 13.243 16.485 ( -4.998 -8.023 -23.544) 25.370 16.485 ( -4.998 -8.023 23.544) 25.370 16.729 ( -1.501 -11.513 -5.970) 13.055 16.729 ( -1.501 -11.513 5.970) 13.055 17.645 ( -2.847 3.533 -4.259) 6.223 17.645 ( -2.847 3.533 4.259) 6.223 18.327 ( -3.929 8.007 -1.627) 9.067 18.327 ( -3.929 8.007 1.627) 9.067 19.370 ( 4.736 -11.220 -7.548) 14.328 19.370 ( 4.736 -11.220 7.548) 14.328 20.014 ( -1.729 2.258 -0.652) 2.918 20.014 ( -1.729 2.258 0.652) 2.918 20.869 ( 0.791 2.154 -1.445) 2.712 20.869 ( 0.791 2.154 1.445) 2.712 20.961 ( -1.343 2.765 -3.432) 4.607 20.961 ( -1.343 2.765 3.432) 4.607 21.170 ( 1.045 -6.012 -3.806) 7.192 21.170 ( 1.045 -6.012 3.806) 7.192 21.407 ( 1.036 2.436 -1.755) 3.176 21.407 ( 1.036 2.436 1.755) 3.176 21.714 ( -2.753 3.122 -1.184) 4.327 21.714 ( -2.753 3.122 1.184) 4.327 21.893 ( 2.842 1.230 -2.987) 4.303 21.893 ( 2.842 1.230 2.987) 4.303 22.016 ( -2.192 -1.165 -0.762) 2.597 22.016 ( -2.192 -1.165 0.762) 2.597 22.257 ( -0.882 -1.652 -0.753) 2.018 22.257 ( -0.882 -1.652 0.753) 2.018 22.540 ( 2.854 -6.751 -2.541) 7.757 22.540 ( 2.854 -6.751 2.541) 7.757 23.654 ( 1.588 3.109 -13.588) 14.029 23.654 ( 1.588 3.109 13.588) 14.029 23.977 ( -0.201 -4.490 -13.324) 14.062 23.977 ( -0.201 -4.490 13.324) 14.062 25.210 ( -5.196 14.291 -5.059) 16.026 25.210 ( -5.196 14.291 5.059) 16.026 27.758 ( 2.213 1.508 -9.022) 9.411 27.758 ( 2.213 1.508 9.022) 9.411 28.366 ( 1.317 -9.505 -9.108) 13.231 28.366 ( 1.317 -9.505 9.108) 13.231 ======================= Grid point 473 (63/64) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( 1.485 2.573 -0.536) 3.019 3.612 ( 1.485 2.573 0.536) 3.019 3.732 ( -0.196 -0.339 -2.851) 2.878 3.732 ( -0.196 -0.339 2.851) 2.878 4.156 ( -0.110 -0.191 -2.880) 2.889 4.156 ( -0.110 -0.191 2.880) 2.889 4.308 ( 3.307 5.729 -9.440) 11.527 4.308 ( 3.307 5.729 9.440) 11.527 4.605 ( -0.346 -0.600 -3.158) 3.233 4.605 ( -0.346 -0.600 3.158) 3.233 5.534 ( 11.875 20.568 -13.051) 27.100 5.534 ( 11.875 20.568 13.051) 27.100 6.151 ( 0.261 0.453 -7.618) 7.636 6.151 ( 0.261 0.453 7.618) 7.636 7.115 ( 6.071 10.515 -1.636) 12.252 7.115 ( 6.071 10.515 1.636) 12.252 7.843 ( 9.469 16.400 -13.717) 23.383 7.843 ( 9.469 16.400 13.717) 23.383 8.524 ( -3.492 -6.048 -3.110) 7.645 8.524 ( -3.492 -6.048 3.110) 7.645 8.800 ( -7.125 -12.342 -5.019) 15.109 8.800 ( -7.125 -12.342 5.019) 15.109 10.055 ( 5.291 9.165 -5.034) 11.719 10.055 ( 5.291 9.165 5.034) 11.719 10.678 ( -1.557 -2.697 -19.120) 19.372 10.678 ( -1.557 -2.697 19.120) 19.372 11.011 ( 1.946 3.370 -2.921) 4.865 11.011 ( 1.946 3.370 2.921) 4.865 11.983 ( 5.666 9.813 -2.568) 11.619 11.983 ( 5.666 9.813 2.568) 11.619 12.639 ( 4.576 7.925 -8.281) 12.341 12.639 ( 4.576 7.925 8.281) 12.341 13.763 ( 3.518 6.093 -7.800) 10.504 13.763 ( 3.518 6.093 7.800) 10.504 14.302 ( -6.648 -11.514 -2.518) 13.531 14.302 ( -6.648 -11.514 2.518) 13.531 15.611 ( 5.140 8.903 -4.030) 11.042 15.611 ( 5.140 8.903 4.030) 11.042 16.506 ( -4.497 -7.790 -35.498) 36.620 16.506 ( -4.497 -7.790 35.498) 36.620 16.668 ( -9.436 -16.344 -13.298) 23.087 16.668 ( -9.436 -16.344 13.298) 23.087 17.690 ( 0.761 1.318 -0.513) 1.606 17.690 ( 0.761 1.318 0.513) 1.606 18.420 ( 2.978 5.158 -1.697) 6.194 18.420 ( 2.978 5.158 1.697) 6.194 19.257 ( -4.451 -7.710 -8.096) 12.033 19.257 ( -4.451 -7.710 8.096) 12.033 20.040 ( 0.143 0.247 -0.349) 0.451 20.040 ( 0.143 0.247 0.349) 0.451 20.874 ( 2.254 3.904 -0.415) 4.527 20.874 ( 2.254 3.904 0.415) 4.527 20.994 ( 0.753 1.304 -0.762) 1.688 20.994 ( 0.753 1.304 0.762) 1.688 21.125 ( -2.894 -5.012 -5.117) 7.725 21.125 ( -2.894 -5.012 5.117) 7.725 21.409 ( 1.828 3.167 -0.839) 3.752 21.409 ( 1.828 3.167 0.839) 3.752 21.771 ( 1.143 1.981 -1.472) 2.720 21.771 ( 1.143 1.981 1.472) 2.720 21.837 ( -2.021 -3.501 -1.620) 4.355 21.837 ( -2.021 -3.501 1.620) 4.355 22.048 ( 1.136 1.967 -0.505) 2.327 22.048 ( 1.136 1.967 0.505) 2.327 22.255 ( -2.536 -4.393 -3.078) 5.933 22.255 ( -2.536 -4.393 3.078) 5.933 22.483 ( -0.949 -1.644 -5.111) 5.453 22.483 ( -0.949 -1.644 5.112) 5.453 23.660 ( 3.439 5.956 -20.123) 21.266 23.660 ( 3.439 5.956 20.123) 21.266 23.953 ( -3.188 -5.522 -17.779) 18.888 23.953 ( -3.188 -5.522 17.779) 18.888 25.332 ( 4.961 8.592 -3.648) 10.571 25.332 ( 4.961 8.592 3.648) 10.571 27.745 ( 1.962 3.398 -2.848) 4.848 27.745 ( 1.962 3.398 2.848) 4.848 28.302 ( -4.774 -8.268 -6.023) 11.288 28.302 ( -4.774 -8.268 6.023) 11.288 ======================= Grid point 475 (64/64) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 6.61e-05 6.61e-05 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.643 ( -0.694 1.201 -0.953) 1.683 3.643 ( -0.694 1.201 0.953) 1.683 3.722 ( -0.176 0.306 -4.384) 4.398 3.722 ( -0.176 0.306 4.384) 4.398 4.145 ( 0.662 -1.147 -0.424) 1.391 4.145 ( 0.662 -1.147 0.424) 1.391 4.391 ( -2.941 5.094 -19.332) 20.207 4.391 ( -2.941 5.094 19.332) 20.207 4.577 ( 0.230 -0.398 -4.079) 4.105 4.577 ( 0.230 -0.398 4.079) 4.105 5.766 ( -9.102 15.766 -2.216) 18.339 5.766 ( -9.102 15.766 2.216) 18.339 6.134 ( 3.333 -5.774 -9.014) 11.212 6.134 ( 3.333 -5.774 9.014) 11.212 7.224 ( 0.211 -0.366 -2.661) 2.694 7.224 ( 0.211 -0.366 2.661) 2.694 8.035 ( -5.352 9.270 -4.485) 11.606 8.035 ( -5.352 9.270 4.485) 11.606 8.460 ( 2.482 -4.300 -4.085) 6.429 8.460 ( 2.482 -4.300 4.085) 6.429 8.637 ( 3.961 -6.861 -13.044) 15.261 8.637 ( 3.961 -6.861 13.044) 15.261 10.161 ( -3.293 5.704 -0.230) 6.590 10.161 ( -3.293 5.704 0.230) 6.590 10.636 ( 2.048 -3.547 -23.125) 23.484 10.636 ( 2.048 -3.547 23.125) 23.484 11.037 ( -6.891 11.936 -0.588) 13.795 11.037 ( -6.891 11.936 0.588) 13.795 12.108 ( 1.560 -2.702 -3.673) 4.819 12.108 ( 1.560 -2.702 3.673) 4.819 12.752 ( -0.207 0.358 -1.757) 1.805 12.752 ( -0.207 0.358 1.757) 1.805 13.855 ( -0.841 1.456 -0.868) 1.893 13.855 ( -0.841 1.456 0.868) 1.893 14.051 ( 7.339 -12.711 -4.814) 15.447 14.051 ( 7.339 -12.711 4.814) 15.447 15.835 ( -10.050 17.407 -5.734) 20.902 15.835 ( -10.050 17.407 5.734) 20.902 16.372 ( 2.206 -3.820 -13.298) 14.010 16.372 ( 2.206 -3.820 13.298) 14.010 16.480 ( 6.754 -11.699 -16.129) 21.039 16.480 ( 6.754 -11.699 16.129) 21.039 17.706 ( -1.153 1.998 -1.151) 2.578 17.706 ( -1.153 1.998 1.151) 2.578 18.476 ( -3.384 5.860 -0.901) 6.827 18.476 ( -3.384 5.860 0.901) 6.827 19.173 ( 4.197 -7.270 -8.546) 11.979 19.173 ( 4.197 -7.270 8.546) 11.979 20.042 ( -0.402 0.696 -0.116) 0.812 20.042 ( -0.402 0.696 0.116) 0.812 20.930 ( -2.106 3.648 -1.269) 4.400 20.930 ( -2.106 3.648 1.269) 4.400 21.004 ( -0.430 0.745 -2.948) 3.071 21.004 ( -0.430 0.745 2.948) 3.071 21.066 ( 2.298 -3.979 -2.198) 5.093 21.066 ( 2.298 -3.979 2.198) 5.093 21.444 ( -0.641 1.110 -0.593) 1.412 21.444 ( -0.641 1.110 0.593) 1.412 21.745 ( 0.318 -0.550 -1.772) 1.882 21.745 ( 0.318 -0.550 1.772) 1.882 21.834 ( 1.327 -2.298 -1.035) 2.848 21.834 ( 1.327 -2.298 1.035) 2.848 22.075 ( -2.342 4.057 -0.047) 4.685 22.075 ( -2.342 4.057 0.047) 4.685 22.207 ( 1.719 -2.978 -2.601) 4.311 22.207 ( 1.719 -2.978 2.601) 4.311 22.471 ( 0.686 -1.189 -1.848) 2.302 22.471 ( 0.686 -1.189 1.848) 2.302 23.741 ( -2.845 4.928 -13.300) 14.466 23.741 ( -2.845 4.928 13.300) 14.466 23.878 ( 2.948 -5.105 -12.110) 13.469 23.878 ( 2.948 -5.105 12.110) 13.469 25.418 ( -3.501 6.064 -2.075) 7.303 25.418 ( -3.501 6.064 2.075) 7.303 27.784 ( -0.624 1.081 -4.871) 5.028 27.784 ( -0.624 1.081 4.871) 5.028 28.211 ( 2.982 -5.166 -10.147) 11.770 28.211 ( 2.982 -5.166 10.147) 11.770 =================== 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 3/56628 10.0 6237.209 6237.209 7384.690 -0.000 0.000 0.000 3/56628 20.0 2670.139 2670.139 2471.429 -0.000 0.000 -0.000 3/56628 30.0 890.535 890.535 891.643 -0.000 -0.000 -0.000 3/56628 40.0 434.107 434.107 441.687 -0.000 -0.000 0.000 3/56628 50.0 262.469 262.469 266.013 -0.000 -0.000 0.000 3/56628 60.0 182.518 182.518 182.643 -0.000 -0.000 0.000 3/56628 70.0 138.544 138.544 136.517 -0.000 -0.000 0.000 3/56628 80.0 111.294 111.294 108.033 -0.000 -0.000 0.000 3/56628 90.0 92.914 92.914 88.983 -0.000 -0.000 0.000 3/56628 100.0 79.722 79.722 75.451 -0.000 -0.000 0.000 3/56628 110.0 69.795 69.795 65.378 -0.000 -0.000 0.000 3/56628 120.0 62.040 62.040 57.595 -0.000 -0.000 0.000 3/56628 130.0 55.800 55.800 51.396 -0.000 -0.000 0.000 3/56628 140.0 50.660 50.660 46.340 -0.000 -0.000 0.000 3/56628 150.0 46.343 46.343 42.135 -0.000 -0.000 0.000 3/56628 160.0 42.664 42.664 38.582 -0.000 -0.000 0.000 3/56628 170.0 39.490 39.490 35.543 -0.000 -0.000 0.000 3/56628 180.0 36.725 36.725 32.917 -0.000 -0.000 0.000 3/56628 190.0 34.297 34.297 30.627 -0.000 -0.000 0.000 3/56628 200.0 32.149 32.149 28.616 -0.000 -0.000 0.000 3/56628 210.0 30.239 30.239 26.839 -0.000 -0.000 0.000 3/56628 220.0 28.530 28.530 25.259 -0.000 -0.000 0.000 3/56628 230.0 26.995 26.995 23.846 -0.000 -0.000 0.000 3/56628 240.0 25.609 25.609 22.579 -0.000 -0.000 -0.000 3/56628 250.0 24.353 24.353 21.435 -0.000 -0.000 -0.000 3/56628 260.0 23.211 23.211 20.400 -0.000 -0.000 -0.000 3/56628 270.0 22.168 22.168 19.458 -0.000 -0.000 -0.000 3/56628 280.0 21.214 21.214 18.599 -0.000 -0.000 -0.000 3/56628 290.0 20.337 20.337 17.813 -0.000 -0.000 -0.000 3/56628 300.0 19.529 19.529 17.090 -0.000 -0.000 -0.000 3/56628 310.0 18.782 18.782 16.424 -0.000 -0.000 -0.000 3/56628 320.0 18.090 18.090 15.809 -0.000 -0.000 -0.000 3/56628 330.0 17.448 17.448 15.239 -0.000 -0.000 -0.000 3/56628 340.0 16.849 16.849 14.709 -0.000 -0.000 -0.000 3/56628 350.0 16.291 16.291 14.216 -0.000 -0.000 -0.000 3/56628 360.0 15.769 15.769 13.755 -0.000 -0.000 -0.000 3/56628 370.0 15.280 15.280 13.324 -0.000 -0.000 -0.000 3/56628 380.0 14.821 14.821 12.920 -0.000 -0.000 -0.000 3/56628 390.0 14.389 14.389 12.541 -0.000 -0.000 -0.000 3/56628 400.0 13.981 13.981 12.183 -0.000 -0.000 -0.000 3/56628 410.0 13.597 13.597 11.846 -0.000 -0.000 -0.000 3/56628 420.0 13.234 13.234 11.528 -0.000 -0.000 -0.000 3/56628 430.0 12.890 12.890 11.227 -0.000 -0.000 -0.000 3/56628 440.0 12.564 12.564 10.942 -0.000 -0.000 -0.000 3/56628 450.0 12.254 12.254 10.671 -0.000 -0.000 -0.000 3/56628 460.0 11.959 11.959 10.414 -0.000 -0.000 -0.000 3/56628 470.0 11.679 11.679 10.169 -0.000 -0.000 -0.000 3/56628 480.0 11.412 11.412 9.936 -0.000 -0.000 -0.000 3/56628 490.0 11.157 11.157 9.713 -0.000 -0.000 -0.000 3/56628 500.0 10.913 10.913 9.501 -0.000 -0.000 -0.000 3/56628 510.0 10.680 10.680 9.298 -0.000 -0.000 -0.000 3/56628 520.0 10.457 10.457 9.104 -0.000 -0.000 -0.000 3/56628 530.0 10.244 10.244 8.918 -0.000 -0.000 -0.000 3/56628 540.0 10.039 10.039 8.739 -0.000 -0.000 -0.000 3/56628 550.0 9.842 9.842 8.568 -0.000 -0.000 -0.000 3/56628 560.0 9.653 9.653 8.404 -0.000 -0.000 -0.000 3/56628 570.0 9.472 9.472 8.246 -0.000 -0.000 -0.000 3/56628 580.0 9.297 9.297 8.093 -0.000 -0.000 -0.000 3/56628 590.0 9.129 9.129 7.947 -0.000 -0.000 -0.000 3/56628 600.0 8.966 8.966 7.806 -0.000 -0.000 -0.000 3/56628 610.0 8.810 8.810 7.670 -0.000 -0.000 -0.000 3/56628 620.0 8.659 8.659 7.539 -0.000 -0.000 -0.000 3/56628 630.0 8.513 8.513 7.412 -0.000 -0.000 -0.000 3/56628 640.0 8.373 8.373 7.289 -0.000 -0.000 -0.000 3/56628 650.0 8.236 8.236 7.171 -0.000 -0.000 -0.000 3/56628 660.0 8.105 8.105 7.056 -0.000 -0.000 -0.000 3/56628 670.0 7.977 7.977 6.946 -0.000 -0.000 -0.000 3/56628 680.0 7.854 7.854 6.838 -0.000 -0.000 -0.000 3/56628 690.0 7.734 7.734 6.734 -0.000 -0.000 -0.000 3/56628 700.0 7.618 7.618 6.633 -0.000 -0.000 -0.000 3/56628 710.0 7.506 7.506 6.536 -0.000 -0.000 -0.000 3/56628 720.0 7.397 7.397 6.441 -0.000 -0.000 -0.000 3/56628 730.0 7.291 7.291 6.349 -0.000 -0.000 -0.000 3/56628 740.0 7.188 7.188 6.259 -0.000 -0.000 -0.000 3/56628 750.0 7.088 7.088 6.172 -0.000 -0.000 -0.000 3/56628 760.0 6.991 6.991 6.088 -0.000 -0.000 -0.000 3/56628 770.0 6.896 6.896 6.006 -0.000 -0.000 -0.000 3/56628 780.0 6.804 6.804 5.926 -0.000 -0.000 -0.000 3/56628 790.0 6.715 6.715 5.848 -0.000 -0.000 -0.000 3/56628 800.0 6.628 6.628 5.772 -0.000 -0.000 -0.000 3/56628 810.0 6.543 6.543 5.698 -0.000 -0.000 -0.000 3/56628 820.0 6.460 6.460 5.626 -0.000 -0.000 -0.000 3/56628 830.0 6.379 6.379 5.556 -0.000 -0.000 -0.000 3/56628 840.0 6.301 6.301 5.488 -0.000 -0.000 -0.000 3/56628 850.0 6.224 6.224 5.421 -0.000 -0.000 -0.000 3/56628 860.0 6.149 6.149 5.356 -0.000 -0.000 -0.000 3/56628 870.0 6.076 6.076 5.293 -0.000 -0.000 -0.000 3/56628 880.0 6.005 6.005 5.231 -0.000 -0.000 -0.000 3/56628 890.0 5.936 5.936 5.170 -0.000 -0.000 -0.000 3/56628 900.0 5.868 5.868 5.111 -0.000 -0.000 -0.000 3/56628 910.0 5.801 5.801 5.054 -0.000 -0.000 -0.000 3/56628 920.0 5.736 5.736 4.997 -0.000 -0.000 -0.000 3/56628 930.0 5.673 5.673 4.942 -0.000 -0.000 -0.000 3/56628 940.0 5.611 5.611 4.888 -0.000 -0.000 -0.000 3/56628 950.0 5.550 5.550 4.835 -0.000 -0.000 -0.000 3/56628 960.0 5.491 5.491 4.784 -0.000 -0.000 -0.000 3/56628 970.0 5.433 5.433 4.733 -0.000 -0.000 -0.000 3/56628 980.0 5.376 5.376 4.684 -0.000 -0.000 -0.000 3/56628 990.0 5.320 5.320 4.635 -0.000 -0.000 -0.000 3/56628 1000.0 5.266 5.266 4.588 -0.000 -0.000 -0.000 3/56628 Thermal conductivity related properties were written into "kappa-m11116.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 22:44:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|